USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 564 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -170:sc= 0 (180deg=-0.0771) USER MOD Single : A 26 GLN : amide:sc= 1.08 K(o=1.1,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0185) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.11) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -11:sc= -0.882 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.015) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.0243 K(o=0.024,f=-6.6!) USER MOD Single : A 53 HIS : no HE2:sc= -0.0721 X(o=-0.072,f=-0.35) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.531 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.07 K(o=1.1,f=-0.52) USER MOD Single : A 67 ASN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0.785 (180deg=0.732) USER MOD Single : A 71 ASN : amide:sc= 0.763 K(o=0.76,f=-0.11) USER MOD Single : A 73 THR OG1 : rot 61:sc= 1.98 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.949 -5.296 -15.315 1.00 0.00 N ATOM 92 CA ILE A 7 11.901 -5.529 -13.863 1.00 0.00 C ATOM 93 C ILE A 7 13.290 -5.271 -13.250 1.00 0.00 C ATOM 94 O ILE A 7 14.309 -5.694 -13.805 1.00 0.00 O ATOM 95 CB ILE A 7 11.419 -6.969 -13.555 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.031 -7.274 -14.171 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.382 -7.238 -12.038 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.709 -8.771 -14.265 1.00 0.00 C ATOM 0 HA ILE A 7 11.187 -4.838 -13.416 1.00 0.00 H new ATOM 0 HB ILE A 7 12.147 -7.635 -14.018 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.263 -6.784 -13.573 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.984 -6.839 -15.169 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.040 -8.257 -11.857 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.381 -7.112 -11.622 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.699 -6.536 -11.560 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.721 -8.904 -14.706 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.454 -9.265 -14.888 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.722 -9.209 -13.267 1.00 0.00 H new ATOM 110 N VAL A 8 13.334 -4.610 -12.090 1.00 0.00 N ATOM 111 CA VAL A 8 14.569 -4.215 -11.387 1.00 0.00 C ATOM 112 C VAL A 8 14.536 -4.580 -9.898 1.00 0.00 C ATOM 113 O VAL A 8 13.581 -4.265 -9.186 1.00 0.00 O ATOM 114 CB VAL A 8 14.879 -2.715 -11.586 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.385 -2.444 -13.007 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.702 -1.770 -11.303 1.00 0.00 C ATOM 0 H VAL A 8 12.489 -4.324 -11.595 1.00 0.00 H new ATOM 0 HA VAL A 8 15.380 -4.788 -11.837 1.00 0.00 H new ATOM 0 HB VAL A 8 15.648 -2.499 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.596 -1.381 -13.121 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.296 -3.016 -13.184 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.623 -2.742 -13.727 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.015 -0.739 -11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.874 -2.010 -11.970 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.381 -1.889 -10.268 1.00 0.00 H new ATOM 126 N LYS A 9 15.591 -5.243 -9.408 1.00 0.00 N ATOM 127 CA LYS A 9 15.773 -5.570 -7.981 1.00 0.00 C ATOM 128 C LYS A 9 16.216 -4.340 -7.181 1.00 0.00 C ATOM 129 O LYS A 9 17.031 -3.553 -7.661 1.00 0.00 O ATOM 130 CB LYS A 9 16.747 -6.754 -7.846 1.00 0.00 C ATOM 131 CG LYS A 9 16.808 -7.305 -6.408 1.00 0.00 C ATOM 132 CD LYS A 9 17.614 -8.608 -6.292 1.00 0.00 C ATOM 133 CE LYS A 9 16.887 -9.781 -6.966 1.00 0.00 C ATOM 134 NZ LYS A 9 17.624 -11.061 -6.799 1.00 0.00 N ATOM 0 H LYS A 9 16.355 -5.574 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 9 14.818 -5.875 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.442 -7.551 -8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.744 -6.438 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.251 -6.552 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.794 -7.480 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.593 -8.473 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.784 -8.840 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.888 -9.880 -6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.764 -9.569 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.100 -11.827 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.569 -10.976 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.720 -11.277 -5.786 1.00 0.00 H new ATOM 148 N VAL A 10 15.709 -4.189 -5.960 1.00 0.00 N ATOM 149 CA VAL A 10 15.960 -3.049 -5.057 1.00 0.00 C ATOM 150 C VAL A 10 16.134 -3.509 -3.607 1.00 0.00 C ATOM 151 O VAL A 10 15.623 -4.561 -3.218 1.00 0.00 O ATOM 152 CB VAL A 10 14.834 -1.994 -5.149 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.723 -1.408 -6.561 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.456 -2.532 -4.732 1.00 0.00 C ATOM 0 H VAL A 10 15.085 -4.882 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 10 16.891 -2.586 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 10 15.122 -1.216 -4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.921 -0.670 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.665 -0.930 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.504 -2.206 -7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.714 -1.739 -4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.178 -3.363 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.497 -2.876 -3.699 1.00 0.00 H new ATOM 164 N ALA A 11 16.828 -2.702 -2.801 1.00 0.00 N ATOM 165 CA ALA A 11 16.953 -2.878 -1.352 1.00 0.00 C ATOM 166 C ALA A 11 16.321 -1.680 -0.626 1.00 0.00 C ATOM 167 O ALA A 11 16.718 -0.539 -0.861 1.00 0.00 O ATOM 168 CB ALA A 11 18.433 -3.054 -0.994 1.00 0.00 C ATOM 0 H ALA A 11 17.332 -1.886 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 11 16.419 -3.772 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.534 -3.186 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.829 -3.931 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.990 -2.170 -1.305 1.00 0.00 H new ATOM 174 N ILE A 12 15.327 -1.924 0.232 1.00 0.00 N ATOM 175 CA ILE A 12 14.499 -0.882 0.856 1.00 0.00 C ATOM 176 C ILE A 12 14.818 -0.767 2.348 1.00 0.00 C ATOM 177 O ILE A 12 14.734 -1.744 3.088 1.00 0.00 O ATOM 178 CB ILE A 12 12.996 -1.149 0.620 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.680 -1.344 -0.881 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.146 0.007 1.194 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.318 -1.986 -1.111 1.00 0.00 C ATOM 0 H ILE A 12 15.068 -2.868 0.519 1.00 0.00 H new ATOM 0 HA ILE A 12 14.737 0.072 0.385 1.00 0.00 H new ATOM 0 HB ILE A 12 12.742 -2.073 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.712 -0.378 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.452 -1.966 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.090 -0.197 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.327 0.094 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.422 0.940 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.146 -2.100 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.292 -2.965 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.540 -1.353 -0.684 1.00 0.00 H new ATOM 193 N GLU A 13 15.156 0.436 2.797 1.00 0.00 N ATOM 194 CA GLU A 13 15.397 0.776 4.204 1.00 0.00 C ATOM 195 C GLU A 13 14.103 1.044 4.999 1.00 0.00 C ATOM 196 O GLU A 13 13.136 1.606 4.474 1.00 0.00 O ATOM 197 CB GLU A 13 16.284 2.028 4.295 1.00 0.00 C ATOM 198 CG GLU A 13 17.716 1.847 3.776 1.00 0.00 C ATOM 199 CD GLU A 13 18.577 3.109 4.006 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.824 3.008 3.903 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.027 4.198 4.312 1.00 0.00 O ATOM 0 H GLU A 13 15.275 1.234 2.173 1.00 0.00 H new ATOM 0 HA GLU A 13 15.886 -0.093 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.809 2.833 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.329 2.348 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.178 0.996 4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.689 1.615 2.711 1.00 0.00 H new ATOM 208 N TRP A 14 14.129 0.716 6.296 1.00 0.00 N ATOM 209 CA TRP A 14 13.119 1.078 7.302 1.00 0.00 C ATOM 210 C TRP A 14 13.749 1.067 8.716 1.00 0.00 C ATOM 211 O TRP A 14 14.598 0.205 8.974 1.00 0.00 O ATOM 212 CB TRP A 14 11.925 0.116 7.222 1.00 0.00 C ATOM 213 CG TRP A 14 10.832 0.384 8.209 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.589 -0.333 9.328 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.869 1.483 8.226 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.548 0.239 10.034 1.00 0.00 N ATOM 217 CE2 TRP A 14 9.077 1.374 9.409 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.632 2.599 7.395 1.00 0.00 C ATOM 219 CZ2 TRP A 14 8.084 2.310 9.737 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.644 3.549 7.718 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.865 3.404 8.882 1.00 0.00 C ATOM 0 H TRP A 14 14.890 0.165 6.693 1.00 0.00 H new ATOM 0 HA TRP A 14 12.757 2.086 7.099 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.506 0.163 6.217 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.287 -0.902 7.370 1.00 0.00 H new ATOM 0 HD1 TRP A 14 11.128 -1.220 9.626 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.175 -0.132 10.908 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.218 2.726 6.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.496 2.191 10.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.482 4.396 7.068 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.102 4.131 9.117 1.00 0.00 H new ATOM 232 N PRO A 15 13.390 1.981 9.646 1.00 0.00 N ATOM 233 CA PRO A 15 14.007 2.045 10.976 1.00 0.00 C ATOM 234 C PRO A 15 13.825 0.765 11.807 1.00 0.00 C ATOM 235 O PRO A 15 12.754 0.154 11.818 1.00 0.00 O ATOM 236 CB PRO A 15 13.388 3.262 11.674 1.00 0.00 C ATOM 237 CG PRO A 15 12.970 4.153 10.508 1.00 0.00 C ATOM 238 CD PRO A 15 12.509 3.128 9.476 1.00 0.00 C ATOM 0 HA PRO A 15 15.088 2.140 10.873 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.536 2.982 12.293 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.105 3.761 12.326 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.171 4.840 10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.798 4.759 10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.467 2.850 9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.579 3.530 8.465 1.00 0.00 H new ATOM 246 N GLY A 16 14.876 0.367 12.532 1.00 0.00 N ATOM 247 CA GLY A 16 14.869 -0.810 13.414 1.00 0.00 C ATOM 248 C GLY A 16 14.830 -2.172 12.698 1.00 0.00 C ATOM 249 O GLY A 16 14.579 -3.188 13.351 1.00 0.00 O ATOM 0 H GLY A 16 15.769 0.859 12.524 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.757 -0.776 14.045 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.006 -0.742 14.076 1.00 0.00 H new ATOM 253 N ALA A 17 15.067 -2.212 11.381 1.00 0.00 N ATOM 254 CA ALA A 17 15.020 -3.419 10.551 1.00 0.00 C ATOM 255 C ALA A 17 16.164 -3.474 9.520 1.00 0.00 C ATOM 256 O ALA A 17 16.677 -2.443 9.072 1.00 0.00 O ATOM 257 CB ALA A 17 13.648 -3.489 9.863 1.00 0.00 C ATOM 0 H ALA A 17 15.305 -1.376 10.847 1.00 0.00 H new ATOM 0 HA ALA A 17 15.159 -4.287 11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.598 -4.383 9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.864 -3.528 10.619 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.508 -2.605 9.240 1.00 0.00 H new ATOM 263 N TYR A 18 16.545 -4.689 9.115 1.00 0.00 N ATOM 264 CA TYR A 18 17.458 -4.918 7.989 1.00 0.00 C ATOM 265 C TYR A 18 16.781 -4.556 6.646 1.00 0.00 C ATOM 266 O TYR A 18 15.557 -4.704 6.534 1.00 0.00 O ATOM 267 CB TYR A 18 17.923 -6.381 7.983 1.00 0.00 C ATOM 268 CG TYR A 18 18.643 -6.812 9.250 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.990 -7.625 10.199 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.968 -6.391 9.480 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.659 -8.012 11.376 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.640 -6.777 10.657 1.00 0.00 C ATOM 273 CZ TYR A 18 19.986 -7.589 11.610 1.00 0.00 C ATOM 274 OH TYR A 18 20.625 -7.969 12.751 1.00 0.00 O ATOM 0 H TYR A 18 16.227 -5.549 9.562 1.00 0.00 H new ATOM 0 HA TYR A 18 18.327 -4.271 8.109 1.00 0.00 H new ATOM 0 HB2 TYR A 18 17.056 -7.025 7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.586 -6.536 7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.976 -7.951 10.023 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.470 -5.771 8.752 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.156 -8.634 12.102 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.655 -6.452 10.830 1.00 0.00 H new ATOM 0 HH TYR A 18 21.531 -7.595 12.759 1.00 0.00 H new ATOM 284 N PRO A 19 17.528 -4.111 5.613 1.00 0.00 N ATOM 285 CA PRO A 19 16.941 -3.729 4.329 1.00 0.00 C ATOM 286 C PRO A 19 16.177 -4.874 3.644 1.00 0.00 C ATOM 287 O PRO A 19 16.694 -5.987 3.500 1.00 0.00 O ATOM 288 CB PRO A 19 18.095 -3.212 3.462 1.00 0.00 C ATOM 289 CG PRO A 19 19.115 -2.741 4.497 1.00 0.00 C ATOM 290 CD PRO A 19 18.941 -3.752 5.630 1.00 0.00 C ATOM 0 HA PRO A 19 16.185 -2.959 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.501 -3.995 2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.777 -2.399 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.129 -2.751 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 19 18.913 -1.723 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.571 -4.628 5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.225 -3.320 6.589 1.00 0.00 H new ATOM 298 N LYS A 20 14.947 -4.596 3.196 1.00 0.00 N ATOM 299 CA LYS A 20 14.091 -5.538 2.460 1.00 0.00 C ATOM 300 C LYS A 20 14.504 -5.597 0.989 1.00 0.00 C ATOM 301 O LYS A 20 14.358 -4.612 0.266 1.00 0.00 O ATOM 302 CB LYS A 20 12.615 -5.135 2.643 1.00 0.00 C ATOM 303 CG LYS A 20 11.642 -5.934 1.760 1.00 0.00 C ATOM 304 CD LYS A 20 10.181 -5.658 2.152 1.00 0.00 C ATOM 305 CE LYS A 20 9.172 -6.259 1.160 1.00 0.00 C ATOM 306 NZ LYS A 20 9.260 -7.742 1.060 1.00 0.00 N ATOM 0 H LYS A 20 14.507 -3.687 3.338 1.00 0.00 H new ATOM 0 HA LYS A 20 14.214 -6.545 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.338 -5.270 3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.507 -4.074 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.796 -5.671 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.852 -6.999 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.993 -6.066 3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.024 -4.581 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.163 -5.981 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.338 -5.824 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.556 -8.086 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.212 -8.013 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.074 -8.164 1.992 1.00 0.00 H new ATOM 320 N LEU A 21 15.000 -6.749 0.543 1.00 0.00 N ATOM 321 CA LEU A 21 15.221 -7.033 -0.877 1.00 0.00 C ATOM 322 C LEU A 21 13.886 -7.395 -1.547 1.00 0.00 C ATOM 323 O LEU A 21 13.157 -8.258 -1.050 1.00 0.00 O ATOM 324 CB LEU A 21 16.248 -8.171 -1.039 1.00 0.00 C ATOM 325 CG LEU A 21 17.692 -7.767 -0.686 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.566 -9.014 -0.550 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.309 -6.877 -1.767 1.00 0.00 C ATOM 0 H LEU A 21 15.262 -7.518 1.159 1.00 0.00 H new ATOM 0 HA LEU A 21 15.623 -6.145 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.951 -9.007 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.222 -8.526 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 21 17.650 -7.216 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.585 -8.719 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.169 -9.652 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.568 -9.562 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.328 -6.612 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.325 -7.414 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.715 -5.969 -1.874 1.00 0.00 H new ATOM 339 N MET A 22 13.572 -6.757 -2.676 1.00 0.00 N ATOM 340 CA MET A 22 12.413 -7.090 -3.516 1.00 0.00 C ATOM 341 C MET A 22 12.631 -6.668 -4.978 1.00 0.00 C ATOM 342 O MET A 22 13.651 -6.069 -5.313 1.00 0.00 O ATOM 343 CB MET A 22 11.125 -6.493 -2.914 1.00 0.00 C ATOM 344 CG MET A 22 10.908 -4.999 -3.166 1.00 0.00 C ATOM 345 SD MET A 22 9.300 -4.418 -2.563 1.00 0.00 S ATOM 346 CE MET A 22 8.179 -5.091 -3.820 1.00 0.00 C ATOM 0 H MET A 22 14.124 -5.981 -3.041 1.00 0.00 H new ATOM 0 HA MET A 22 12.297 -8.174 -3.529 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.271 -7.039 -3.315 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.135 -6.664 -1.838 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.701 -4.433 -2.678 1.00 0.00 H new ATOM 0 HG3 MET A 22 10.985 -4.799 -4.235 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.183 -4.670 -3.683 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.548 -4.833 -4.813 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.131 -6.175 -3.721 1.00 0.00 H new ATOM 356 N GLU A 23 11.675 -6.967 -5.859 1.00 0.00 N ATOM 357 CA GLU A 23 11.733 -6.630 -7.287 1.00 0.00 C ATOM 358 C GLU A 23 10.572 -5.711 -7.688 1.00 0.00 C ATOM 359 O GLU A 23 9.399 -6.036 -7.488 1.00 0.00 O ATOM 360 CB GLU A 23 11.766 -7.912 -8.134 1.00 0.00 C ATOM 361 CG GLU A 23 13.134 -8.611 -8.056 1.00 0.00 C ATOM 362 CD GLU A 23 13.157 -10.010 -8.707 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.077 -10.799 -8.381 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.285 -10.336 -9.550 1.00 0.00 O ATOM 0 H GLU A 23 10.821 -7.460 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 23 12.654 -6.078 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.989 -8.595 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.541 -7.668 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.881 -7.983 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.426 -8.703 -7.010 1.00 0.00 H new ATOM 371 N ILE A 24 10.914 -4.557 -8.262 1.00 0.00 N ATOM 372 CA ILE A 24 9.982 -3.575 -8.820 1.00 0.00 C ATOM 373 C ILE A 24 9.759 -3.900 -10.299 1.00 0.00 C ATOM 374 O ILE A 24 10.653 -3.748 -11.134 1.00 0.00 O ATOM 375 CB ILE A 24 10.508 -2.141 -8.558 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.338 -1.853 -7.046 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.803 -1.080 -9.427 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.771 -0.458 -6.585 1.00 0.00 C ATOM 0 H ILE A 24 11.888 -4.269 -8.355 1.00 0.00 H new ATOM 0 HA ILE A 24 9.009 -3.625 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 24 11.559 -2.082 -8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.290 -1.994 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.909 -2.594 -6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.211 -0.095 -9.201 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.964 -1.307 -10.481 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.734 -1.087 -9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.610 -0.363 -5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.828 -0.313 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.184 0.297 -7.108 1.00 0.00 H new ATOM 390 N ASP A 25 8.554 -4.368 -10.620 1.00 0.00 N ATOM 391 CA ASP A 25 8.085 -4.528 -11.996 1.00 0.00 C ATOM 392 C ASP A 25 7.541 -3.193 -12.517 1.00 0.00 C ATOM 393 O ASP A 25 6.556 -2.667 -11.995 1.00 0.00 O ATOM 394 CB ASP A 25 7.025 -5.640 -12.047 1.00 0.00 C ATOM 395 CG ASP A 25 6.504 -5.960 -13.460 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.736 -6.940 -13.596 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.849 -5.239 -14.423 1.00 0.00 O ATOM 0 H ASP A 25 7.866 -4.651 -9.922 1.00 0.00 H new ATOM 0 HA ASP A 25 8.911 -4.821 -12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.447 -6.547 -11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.182 -5.350 -11.419 1.00 0.00 H new ATOM 402 N GLN A 26 8.155 -2.653 -13.571 1.00 0.00 N ATOM 403 CA GLN A 26 7.745 -1.385 -14.183 1.00 0.00 C ATOM 404 C GLN A 26 6.349 -1.428 -14.837 1.00 0.00 C ATOM 405 O GLN A 26 5.818 -0.366 -15.169 1.00 0.00 O ATOM 406 CB GLN A 26 8.809 -0.944 -15.202 1.00 0.00 C ATOM 407 CG GLN A 26 10.168 -0.591 -14.571 1.00 0.00 C ATOM 408 CD GLN A 26 10.174 0.700 -13.751 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.189 1.420 -13.625 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.303 1.044 -13.170 1.00 0.00 N ATOM 0 H GLN A 26 8.957 -3.086 -14.029 1.00 0.00 H new ATOM 0 HA GLN A 26 7.665 -0.656 -13.377 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.954 -1.742 -15.930 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.437 -0.077 -15.749 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.481 -1.415 -13.929 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.911 -0.505 -15.364 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.128 0.452 -13.268 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.353 1.902 -12.621 1.00 0.00 H new ATOM 419 N LYS A 27 5.742 -2.611 -15.028 1.00 0.00 N ATOM 420 CA LYS A 27 4.339 -2.769 -15.463 1.00 0.00 C ATOM 421 C LYS A 27 3.321 -2.695 -14.310 1.00 0.00 C ATOM 422 O LYS A 27 2.159 -2.365 -14.557 1.00 0.00 O ATOM 423 CB LYS A 27 4.164 -4.111 -16.202 1.00 0.00 C ATOM 424 CG LYS A 27 5.046 -4.331 -17.445 1.00 0.00 C ATOM 425 CD LYS A 27 4.853 -3.279 -18.554 1.00 0.00 C ATOM 426 CE LYS A 27 5.893 -2.149 -18.511 1.00 0.00 C ATOM 427 NZ LYS A 27 7.225 -2.616 -18.972 1.00 0.00 N ATOM 0 H LYS A 27 6.218 -3.501 -14.883 1.00 0.00 H new ATOM 0 HA LYS A 27 4.133 -1.928 -16.126 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.362 -4.918 -15.496 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.120 -4.201 -16.504 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.092 -4.331 -17.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.834 -5.318 -17.856 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.903 -3.772 -19.525 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.856 -2.848 -18.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.559 -1.322 -19.138 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.973 -1.765 -17.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.872 -1.805 -19.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.606 -3.304 -18.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.131 -3.067 -19.904 1.00 0.00 H new ATOM 441 N LYS A 28 3.719 -3.011 -13.069 1.00 0.00 N ATOM 442 CA LYS A 28 2.834 -3.021 -11.883 1.00 0.00 C ATOM 443 C LYS A 28 2.572 -1.604 -11.340 1.00 0.00 C ATOM 444 O LYS A 28 3.453 -0.744 -11.433 1.00 0.00 O ATOM 445 CB LYS A 28 3.410 -3.936 -10.782 1.00 0.00 C ATOM 446 CG LYS A 28 3.183 -5.420 -11.110 1.00 0.00 C ATOM 447 CD LYS A 28 3.708 -6.369 -10.021 1.00 0.00 C ATOM 448 CE LYS A 28 2.897 -6.282 -8.721 1.00 0.00 C ATOM 449 NZ LYS A 28 3.362 -7.284 -7.730 1.00 0.00 N ATOM 0 H LYS A 28 4.681 -3.272 -12.852 1.00 0.00 H new ATOM 0 HA LYS A 28 1.872 -3.422 -12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.477 -3.746 -10.670 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.942 -3.697 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.116 -5.595 -11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.673 -5.655 -12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.682 -7.393 -10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.751 -6.133 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.987 -5.281 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.841 -6.443 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.753 -7.248 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.317 -8.234 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.343 -7.073 -7.457 1.00 0.00 H new ATOM 463 N PRO A 29 1.388 -1.346 -10.747 1.00 0.00 N ATOM 464 CA PRO A 29 1.091 -0.077 -10.088 1.00 0.00 C ATOM 465 C PRO A 29 1.910 0.078 -8.803 1.00 0.00 C ATOM 466 O PRO A 29 2.075 -0.869 -8.029 1.00 0.00 O ATOM 467 CB PRO A 29 -0.413 -0.095 -9.800 1.00 0.00 C ATOM 468 CG PRO A 29 -0.743 -1.581 -9.686 1.00 0.00 C ATOM 469 CD PRO A 29 0.265 -2.266 -10.606 1.00 0.00 C ATOM 0 HA PRO A 29 1.357 0.773 -10.716 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.651 0.439 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.980 0.381 -10.601 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.646 -1.932 -8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.768 -1.785 -9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.592 -3.216 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.181 -2.485 -11.576 1.00 0.00 H new ATOM 477 N LEU A 30 2.373 1.301 -8.536 1.00 0.00 N ATOM 478 CA LEU A 30 3.144 1.620 -7.330 1.00 0.00 C ATOM 479 C LEU A 30 2.345 1.370 -6.046 1.00 0.00 C ATOM 480 O LEU A 30 2.929 0.952 -5.054 1.00 0.00 O ATOM 481 CB LEU A 30 3.640 3.073 -7.408 1.00 0.00 C ATOM 482 CG LEU A 30 4.769 3.260 -8.437 1.00 0.00 C ATOM 483 CD1 LEU A 30 4.909 4.738 -8.781 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.110 2.751 -7.902 1.00 0.00 C ATOM 0 H LEU A 30 2.224 2.101 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 30 4.003 0.950 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.805 3.724 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.994 3.385 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 30 4.507 2.683 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.709 4.868 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.972 5.104 -9.201 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.146 5.301 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.883 2.900 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.374 3.301 -6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.030 1.689 -7.670 1.00 0.00 H new ATOM 496 N SER A 31 1.019 1.526 -6.067 1.00 0.00 N ATOM 497 CA SER A 31 0.142 1.200 -4.932 1.00 0.00 C ATOM 498 C SER A 31 0.238 -0.277 -4.519 1.00 0.00 C ATOM 499 O SER A 31 0.367 -0.573 -3.330 1.00 0.00 O ATOM 500 CB SER A 31 -1.314 1.536 -5.284 1.00 0.00 C ATOM 501 OG SER A 31 -1.435 2.877 -5.738 1.00 0.00 O ATOM 0 H SER A 31 0.516 1.885 -6.878 1.00 0.00 H new ATOM 0 HA SER A 31 0.477 1.801 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.671 0.854 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.947 1.387 -4.409 1.00 0.00 H new ATOM 0 HG SER A 31 -2.372 3.065 -5.957 1.00 0.00 H new ATOM 507 N ALA A 32 0.243 -1.206 -5.486 1.00 0.00 N ATOM 508 CA ALA A 32 0.423 -2.637 -5.215 1.00 0.00 C ATOM 509 C ALA A 32 1.847 -2.956 -4.724 1.00 0.00 C ATOM 510 O ALA A 32 2.022 -3.740 -3.790 1.00 0.00 O ATOM 511 CB ALA A 32 0.084 -3.437 -6.479 1.00 0.00 C ATOM 0 H ALA A 32 0.123 -0.986 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.254 -2.924 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.216 -4.501 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.951 -3.246 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.745 -3.133 -7.290 1.00 0.00 H new ATOM 517 N ILE A 33 2.863 -2.311 -5.306 1.00 0.00 N ATOM 518 CA ILE A 33 4.264 -2.462 -4.884 1.00 0.00 C ATOM 519 C ILE A 33 4.446 -1.966 -3.442 1.00 0.00 C ATOM 520 O ILE A 33 4.986 -2.695 -2.617 1.00 0.00 O ATOM 521 CB ILE A 33 5.210 -1.751 -5.878 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.130 -2.422 -7.272 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.664 -1.758 -5.368 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.729 -1.577 -8.401 1.00 0.00 C ATOM 0 H ILE A 33 2.739 -1.666 -6.087 1.00 0.00 H new ATOM 0 HA ILE A 33 4.529 -3.519 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 33 4.887 -0.714 -5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.648 -3.380 -7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.086 -2.633 -7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.305 -1.251 -6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.716 -1.241 -4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.001 -2.787 -5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.636 -2.113 -9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.196 -0.629 -8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.782 -1.387 -8.194 1.00 0.00 H new ATOM 536 N ILE A 34 3.946 -0.776 -3.096 1.00 0.00 N ATOM 537 CA ILE A 34 4.022 -0.197 -1.742 1.00 0.00 C ATOM 538 C ILE A 34 3.291 -1.084 -0.720 1.00 0.00 C ATOM 539 O ILE A 34 3.812 -1.303 0.377 1.00 0.00 O ATOM 540 CB ILE A 34 3.493 1.259 -1.762 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.480 2.173 -2.532 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.282 1.818 -0.343 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.852 3.485 -3.020 1.00 0.00 C ATOM 0 H ILE A 34 3.465 -0.171 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 34 5.063 -0.162 -1.422 1.00 0.00 H new ATOM 0 HB ILE A 34 2.526 1.244 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.327 2.404 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.873 1.627 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.911 2.841 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.557 1.201 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.229 1.809 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.602 4.072 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.023 3.264 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.484 4.052 -2.165 1.00 0.00 H new ATOM 555 N LYS A 35 2.141 -1.670 -1.088 1.00 0.00 N ATOM 556 CA LYS A 35 1.447 -2.683 -0.273 1.00 0.00 C ATOM 557 C LYS A 35 2.321 -3.920 -0.018 1.00 0.00 C ATOM 558 O LYS A 35 2.369 -4.421 1.103 1.00 0.00 O ATOM 559 CB LYS A 35 0.099 -3.034 -0.926 1.00 0.00 C ATOM 560 CG LYS A 35 -0.806 -3.835 0.021 1.00 0.00 C ATOM 561 CD LYS A 35 -2.161 -4.132 -0.640 1.00 0.00 C ATOM 562 CE LYS A 35 -3.177 -4.723 0.347 1.00 0.00 C ATOM 563 NZ LYS A 35 -2.806 -6.091 0.802 1.00 0.00 N ATOM 0 H LYS A 35 1.663 -1.454 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 35 1.248 -2.262 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.409 -2.117 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.275 -3.611 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.317 -4.770 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.961 -3.275 0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.564 -3.213 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.014 -4.828 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.260 -4.066 1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.159 -4.755 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.525 -6.443 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.752 -6.727 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.881 -6.060 1.277 1.00 0.00 H new ATOM 577 N GLU A 36 3.072 -4.376 -1.020 1.00 0.00 N ATOM 578 CA GLU A 36 4.037 -5.468 -0.900 1.00 0.00 C ATOM 579 C GLU A 36 5.305 -5.089 -0.101 1.00 0.00 C ATOM 580 O GLU A 36 5.916 -5.973 0.505 1.00 0.00 O ATOM 581 CB GLU A 36 4.376 -5.959 -2.315 1.00 0.00 C ATOM 582 CG GLU A 36 3.239 -6.796 -2.926 1.00 0.00 C ATOM 583 CD GLU A 36 3.384 -6.989 -4.447 1.00 0.00 C ATOM 584 OE1 GLU A 36 4.515 -6.976 -4.988 1.00 0.00 O ATOM 585 OE2 GLU A 36 2.355 -7.193 -5.137 1.00 0.00 O ATOM 0 H GLU A 36 3.025 -3.986 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 36 3.582 -6.270 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.579 -5.102 -2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.287 -6.556 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.214 -7.772 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.285 -6.312 -2.716 1.00 0.00 H new ATOM 592 N VAL A 37 5.685 -3.802 -0.025 1.00 0.00 N ATOM 593 CA VAL A 37 6.745 -3.330 0.888 1.00 0.00 C ATOM 594 C VAL A 37 6.283 -3.425 2.346 1.00 0.00 C ATOM 595 O VAL A 37 6.887 -4.144 3.142 1.00 0.00 O ATOM 596 CB VAL A 37 7.230 -1.886 0.623 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.444 -1.590 1.513 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.666 -1.607 -0.813 1.00 0.00 C ATOM 0 H VAL A 37 5.270 -3.062 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 37 7.590 -3.991 0.694 1.00 0.00 H new ATOM 0 HB VAL A 37 6.367 -1.255 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.790 -0.573 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.161 -1.694 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.245 -2.293 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.989 -0.570 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.492 -2.268 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.829 -1.784 -1.488 1.00 0.00 H new ATOM 608 N CYS A 38 5.225 -2.687 2.701 1.00 0.00 N ATOM 609 CA CYS A 38 4.789 -2.500 4.089 1.00 0.00 C ATOM 610 C CYS A 38 4.316 -3.811 4.744 1.00 0.00 C ATOM 611 O CYS A 38 4.603 -4.034 5.920 1.00 0.00 O ATOM 612 CB CYS A 38 3.729 -1.390 4.138 1.00 0.00 C ATOM 613 SG CYS A 38 2.274 -1.804 3.153 1.00 0.00 S ATOM 0 H CYS A 38 4.641 -2.197 2.024 1.00 0.00 H new ATOM 0 HA CYS A 38 5.645 -2.187 4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.430 -1.219 5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.162 -0.459 3.773 1.00 0.00 H new ATOM 0 HG CYS A 38 2.526 -2.852 2.426 1.00 0.00 H new ATOM 619 N ASP A 39 3.702 -4.726 3.985 1.00 0.00 N ATOM 620 CA ASP A 39 3.344 -6.073 4.455 1.00 0.00 C ATOM 621 C ASP A 39 4.572 -6.903 4.891 1.00 0.00 C ATOM 622 O ASP A 39 4.475 -7.724 5.804 1.00 0.00 O ATOM 623 CB ASP A 39 2.578 -6.796 3.338 1.00 0.00 C ATOM 624 CG ASP A 39 2.032 -8.168 3.772 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.367 -8.255 4.832 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.229 -9.157 3.026 1.00 0.00 O ATOM 0 H ASP A 39 3.436 -4.552 3.016 1.00 0.00 H new ATOM 0 HA ASP A 39 2.719 -5.966 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.749 -6.169 3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.237 -6.929 2.480 1.00 0.00 H new ATOM 631 N GLY A 40 5.750 -6.646 4.305 1.00 0.00 N ATOM 632 CA GLY A 40 7.022 -7.270 4.693 1.00 0.00 C ATOM 633 C GLY A 40 7.492 -6.911 6.112 1.00 0.00 C ATOM 634 O GLY A 40 8.223 -7.688 6.731 1.00 0.00 O ATOM 0 H GLY A 40 5.847 -5.986 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.920 -8.353 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.792 -6.973 3.981 1.00 0.00 H new ATOM 638 N TRP A 41 7.028 -5.777 6.650 1.00 0.00 N ATOM 639 CA TRP A 41 7.234 -5.332 8.036 1.00 0.00 C ATOM 640 C TRP A 41 5.929 -5.279 8.861 1.00 0.00 C ATOM 641 O TRP A 41 5.910 -4.724 9.962 1.00 0.00 O ATOM 642 CB TRP A 41 7.984 -3.991 8.011 1.00 0.00 C ATOM 643 CG TRP A 41 9.383 -4.043 7.469 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.377 -4.836 7.933 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.970 -3.269 6.377 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.530 -4.615 7.204 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.342 -3.646 6.244 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.489 -2.281 5.490 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.193 -3.068 5.294 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.337 -1.696 4.530 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.681 -2.086 4.432 1.00 0.00 C ATOM 0 H TRP A 41 6.474 -5.114 6.108 1.00 0.00 H new ATOM 0 HA TRP A 41 7.842 -6.072 8.556 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.408 -3.284 7.415 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.021 -3.596 9.026 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.283 -5.536 8.750 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.410 -5.108 7.358 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.456 -1.970 5.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.227 -3.373 5.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.949 -0.940 3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.322 -1.630 3.692 1.00 0.00 H new ATOM 662 N SER A 42 4.832 -5.856 8.348 1.00 0.00 N ATOM 663 CA SER A 42 3.478 -5.827 8.940 1.00 0.00 C ATOM 664 C SER A 42 2.937 -4.410 9.231 1.00 0.00 C ATOM 665 O SER A 42 2.125 -4.216 10.140 1.00 0.00 O ATOM 666 CB SER A 42 3.384 -6.747 10.171 1.00 0.00 C ATOM 667 OG SER A 42 3.763 -8.080 9.851 1.00 0.00 O ATOM 0 H SER A 42 4.861 -6.379 7.473 1.00 0.00 H new ATOM 0 HA SER A 42 2.816 -6.221 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.027 -6.364 10.963 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.364 -6.739 10.556 1.00 0.00 H new ATOM 0 HG SER A 42 3.695 -8.641 10.652 1.00 0.00 H new ATOM 673 N LEU A 43 3.386 -3.402 8.474 1.00 0.00 N ATOM 674 CA LEU A 43 2.971 -2.002 8.601 1.00 0.00 C ATOM 675 C LEU A 43 1.577 -1.792 7.979 1.00 0.00 C ATOM 676 O LEU A 43 1.332 -2.172 6.830 1.00 0.00 O ATOM 677 CB LEU A 43 4.044 -1.112 7.944 1.00 0.00 C ATOM 678 CG LEU A 43 5.380 -1.051 8.706 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.451 -0.449 7.800 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.289 -0.212 9.981 1.00 0.00 C ATOM 0 H LEU A 43 4.071 -3.544 7.732 1.00 0.00 H new ATOM 0 HA LEU A 43 2.885 -1.725 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.233 -1.478 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.649 -0.101 7.848 1.00 0.00 H new ATOM 0 HG LEU A 43 5.635 -2.071 8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.399 -0.404 8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.566 -1.069 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.154 0.557 7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.258 -0.202 10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.002 0.808 9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.542 -0.643 10.648 1.00 0.00 H new ATOM 692 N ALA A 44 0.657 -1.202 8.745 1.00 0.00 N ATOM 693 CA ALA A 44 -0.733 -0.965 8.346 1.00 0.00 C ATOM 694 C ALA A 44 -0.902 0.236 7.389 1.00 0.00 C ATOM 695 O ALA A 44 -0.028 1.101 7.292 1.00 0.00 O ATOM 696 CB ALA A 44 -1.568 -0.784 9.623 1.00 0.00 C ATOM 0 H ALA A 44 0.863 -0.866 9.686 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.081 -1.827 7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.609 -0.606 9.355 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.500 -1.685 10.233 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.188 0.067 10.188 1.00 0.00 H new ATOM 702 N ASN A 45 -2.069 0.308 6.734 1.00 0.00 N ATOM 703 CA ASN A 45 -2.534 1.430 5.902 1.00 0.00 C ATOM 704 C ASN A 45 -1.535 1.838 4.799 1.00 0.00 C ATOM 705 O ASN A 45 -0.963 2.929 4.830 1.00 0.00 O ATOM 706 CB ASN A 45 -2.963 2.609 6.804 1.00 0.00 C ATOM 707 CG ASN A 45 -4.006 2.231 7.844 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.005 1.586 7.557 1.00 0.00 O ATOM 709 ND2 ASN A 45 -3.806 2.604 9.089 1.00 0.00 N ATOM 0 H ASN A 45 -2.749 -0.451 6.771 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.409 1.091 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.084 3.006 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.359 3.409 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.482 2.355 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.974 3.142 9.333 1.00 0.00 H new ATOM 716 N HIS A 46 -1.329 0.977 3.792 1.00 0.00 N ATOM 717 CA HIS A 46 -0.350 1.208 2.717 1.00 0.00 C ATOM 718 C HIS A 46 -0.632 2.478 1.892 1.00 0.00 C ATOM 719 O HIS A 46 0.286 3.047 1.306 1.00 0.00 O ATOM 720 CB HIS A 46 -0.291 -0.027 1.810 1.00 0.00 C ATOM 721 CG HIS A 46 -1.449 -0.159 0.860 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.642 -0.842 1.102 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.510 0.432 -0.364 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.389 -0.659 -0.001 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.737 0.105 -0.895 1.00 0.00 N ATOM 0 H HIS A 46 -1.838 0.098 3.699 1.00 0.00 H new ATOM 0 HA HIS A 46 0.617 1.373 3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.634 0.005 1.234 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.246 -0.919 2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.746 1.038 -0.828 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.377 -1.069 -0.149 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.090 0.392 -1.808 1.00 0.00 H new ATOM 733 N GLU A 47 -1.879 2.963 1.897 1.00 0.00 N ATOM 734 CA GLU A 47 -2.298 4.247 1.312 1.00 0.00 C ATOM 735 C GLU A 47 -1.492 5.444 1.852 1.00 0.00 C ATOM 736 O GLU A 47 -1.327 6.451 1.159 1.00 0.00 O ATOM 737 CB GLU A 47 -3.781 4.499 1.643 1.00 0.00 C ATOM 738 CG GLU A 47 -4.772 3.420 1.178 1.00 0.00 C ATOM 739 CD GLU A 47 -4.853 3.234 -0.354 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.441 4.135 -1.125 1.00 0.00 O ATOM 741 OE2 GLU A 47 -5.377 2.184 -0.802 1.00 0.00 O ATOM 0 H GLU A 47 -2.654 2.455 2.324 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.125 4.171 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.877 4.610 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.075 5.449 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.492 2.469 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.764 3.672 1.553 1.00 0.00 H new ATOM 748 N TYR A 48 -0.989 5.347 3.088 1.00 0.00 N ATOM 749 CA TYR A 48 -0.202 6.392 3.745 1.00 0.00 C ATOM 750 C TYR A 48 1.249 6.452 3.249 1.00 0.00 C ATOM 751 O TYR A 48 1.925 7.451 3.486 1.00 0.00 O ATOM 752 CB TYR A 48 -0.175 6.140 5.263 1.00 0.00 C ATOM 753 CG TYR A 48 -1.479 6.187 6.047 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.407 5.997 7.440 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.736 6.415 5.444 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.572 6.014 8.226 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.910 6.401 6.222 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.833 6.202 7.618 1.00 0.00 C ATOM 759 OH TYR A 48 -4.960 6.195 8.381 1.00 0.00 O ATOM 0 H TYR A 48 -1.122 4.520 3.671 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.683 7.340 3.503 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.270 5.158 5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.500 6.873 5.705 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.448 5.837 7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.797 6.601 4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.503 5.883 9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.871 6.543 5.750 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.743 6.339 7.809 1.00 0.00 H new ATOM 769 N PHE A 49 1.751 5.394 2.609 1.00 0.00 N ATOM 770 CA PHE A 49 3.168 5.213 2.292 1.00 0.00 C ATOM 771 C PHE A 49 3.563 5.603 0.860 1.00 0.00 C ATOM 772 O PHE A 49 2.749 5.640 -0.064 1.00 0.00 O ATOM 773 CB PHE A 49 3.573 3.772 2.636 1.00 0.00 C ATOM 774 CG PHE A 49 3.755 3.560 4.128 1.00 0.00 C ATOM 775 CD1 PHE A 49 5.017 3.777 4.713 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.663 3.205 4.943 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.181 3.656 6.104 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.829 3.083 6.334 1.00 0.00 C ATOM 779 CZ PHE A 49 4.088 3.309 6.916 1.00 0.00 C ATOM 0 H PHE A 49 1.168 4.620 2.289 1.00 0.00 H new ATOM 0 HA PHE A 49 3.729 5.916 2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.812 3.086 2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.502 3.526 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.861 4.037 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.695 3.026 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.149 3.830 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.988 2.815 6.956 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.215 3.216 7.984 1.00 0.00 H new ATOM 789 N ALA A 50 4.860 5.866 0.702 1.00 0.00 N ATOM 790 CA ALA A 50 5.577 6.095 -0.545 1.00 0.00 C ATOM 791 C ALA A 50 7.001 5.518 -0.449 1.00 0.00 C ATOM 792 O ALA A 50 7.572 5.387 0.639 1.00 0.00 O ATOM 793 CB ALA A 50 5.613 7.603 -0.838 1.00 0.00 C ATOM 0 H ALA A 50 5.482 5.929 1.508 1.00 0.00 H new ATOM 0 HA ALA A 50 5.064 5.590 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.149 7.780 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.594 7.981 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.121 8.120 -0.024 1.00 0.00 H new ATOM 799 N LEU A 51 7.579 5.174 -1.600 1.00 0.00 N ATOM 800 CA LEU A 51 8.999 4.854 -1.717 1.00 0.00 C ATOM 801 C LEU A 51 9.805 6.139 -1.961 1.00 0.00 C ATOM 802 O LEU A 51 9.318 7.099 -2.564 1.00 0.00 O ATOM 803 CB LEU A 51 9.202 3.805 -2.825 1.00 0.00 C ATOM 804 CG LEU A 51 8.914 2.365 -2.359 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.804 1.437 -3.569 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.029 1.836 -1.449 1.00 0.00 C ATOM 0 H LEU A 51 7.071 5.110 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 51 9.367 4.419 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.552 4.044 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.228 3.864 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 51 7.977 2.384 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.600 0.421 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.992 1.774 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.741 1.453 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.793 0.818 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.974 1.840 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.113 2.473 -0.569 1.00 0.00 H new ATOM 818 N GLN A 52 11.050 6.137 -1.501 1.00 0.00 N ATOM 819 CA GLN A 52 11.995 7.253 -1.548 1.00 0.00 C ATOM 820 C GLN A 52 13.376 6.727 -1.959 1.00 0.00 C ATOM 821 O GLN A 52 13.765 5.631 -1.561 1.00 0.00 O ATOM 822 CB GLN A 52 11.979 7.923 -0.158 1.00 0.00 C ATOM 823 CG GLN A 52 13.046 8.979 0.166 1.00 0.00 C ATOM 824 CD GLN A 52 13.002 10.181 -0.766 1.00 0.00 C ATOM 825 OE1 GLN A 52 13.235 10.068 -1.955 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.731 11.375 -0.287 1.00 0.00 N ATOM 0 H GLN A 52 11.453 5.311 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 52 11.722 8.003 -2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.003 8.389 -0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.058 7.134 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.912 9.319 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.032 8.519 0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.533 11.493 0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.719 12.183 -0.909 1.00 0.00 H new ATOM 835 N HIS A 53 14.128 7.496 -2.744 1.00 0.00 N ATOM 836 CA HIS A 53 15.531 7.192 -3.065 1.00 0.00 C ATOM 837 C HIS A 53 16.439 7.516 -1.871 1.00 0.00 C ATOM 838 O HIS A 53 16.429 8.642 -1.368 1.00 0.00 O ATOM 839 CB HIS A 53 15.994 7.960 -4.310 1.00 0.00 C ATOM 840 CG HIS A 53 15.603 7.343 -5.631 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.218 6.228 -6.210 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.677 7.830 -6.503 1.00 0.00 C ATOM 843 CE1 HIS A 53 15.641 6.070 -7.414 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.710 7.018 -7.616 1.00 0.00 N ATOM 0 H HIS A 53 13.785 8.352 -3.180 1.00 0.00 H new ATOM 0 HA HIS A 53 15.601 6.126 -3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.588 8.970 -4.265 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.080 8.051 -4.278 1.00 0.00 H new ATOM 0 HD1 HIS A 53 16.954 5.652 -5.802 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.039 8.688 -6.351 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.890 5.291 -8.119 1.00 0.00 H new ATOM 930 N TYR A 60 10.857 11.279 -4.157 1.00 0.00 N ATOM 931 CA TYR A 60 9.785 10.307 -3.905 1.00 0.00 C ATOM 932 C TYR A 60 9.388 9.611 -5.215 1.00 0.00 C ATOM 933 O TYR A 60 9.348 10.244 -6.275 1.00 0.00 O ATOM 934 CB TYR A 60 8.557 10.990 -3.289 1.00 0.00 C ATOM 935 CG TYR A 60 8.763 11.526 -1.885 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.548 10.680 -0.779 1.00 0.00 C ATOM 937 CD2 TYR A 60 9.128 12.872 -1.681 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.697 11.179 0.528 1.00 0.00 C ATOM 939 CE2 TYR A 60 9.292 13.369 -0.374 1.00 0.00 C ATOM 940 CZ TYR A 60 9.082 12.521 0.736 1.00 0.00 C ATOM 941 OH TYR A 60 9.229 12.993 2.004 1.00 0.00 O ATOM 0 HA TYR A 60 10.158 9.566 -3.198 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.254 11.813 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.732 10.277 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.269 9.648 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.282 13.523 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.516 10.533 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.578 14.399 -0.220 1.00 0.00 H new ATOM 0 HH TYR A 60 9.499 13.935 1.973 1.00 0.00 H new ATOM 951 N ILE A 61 9.085 8.314 -5.162 1.00 0.00 N ATOM 952 CA ILE A 61 8.718 7.535 -6.348 1.00 0.00 C ATOM 953 C ILE A 61 7.275 7.844 -6.779 1.00 0.00 C ATOM 954 O ILE A 61 6.356 7.915 -5.960 1.00 0.00 O ATOM 955 CB ILE A 61 8.992 6.032 -6.133 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.458 5.752 -5.720 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.645 5.219 -7.392 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.538 6.333 -6.646 1.00 0.00 C ATOM 0 H ILE A 61 9.087 7.773 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 61 9.354 7.836 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 61 8.347 5.718 -5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.615 6.149 -4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.599 4.673 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.848 4.164 -7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.589 5.350 -7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.251 5.567 -8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.525 6.076 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.420 5.919 -7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.436 7.417 -6.688 1.00 0.00 H new ATOM 970 N THR A 62 7.096 8.024 -8.086 1.00 0.00 N ATOM 971 CA THR A 62 5.854 8.404 -8.778 1.00 0.00 C ATOM 972 C THR A 62 5.780 7.668 -10.114 1.00 0.00 C ATOM 973 O THR A 62 6.754 7.034 -10.531 1.00 0.00 O ATOM 974 CB THR A 62 5.785 9.924 -9.042 1.00 0.00 C ATOM 975 OG1 THR A 62 6.749 10.303 -10.005 1.00 0.00 O ATOM 976 CG2 THR A 62 5.999 10.787 -7.800 1.00 0.00 C ATOM 0 H THR A 62 7.868 7.901 -8.742 1.00 0.00 H new ATOM 0 HA THR A 62 5.016 8.132 -8.136 1.00 0.00 H new ATOM 0 HB THR A 62 4.770 10.101 -9.397 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.692 11.269 -10.163 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.935 11.840 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.232 10.557 -7.060 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.983 10.581 -7.379 1.00 0.00 H new ATOM 984 N GLU A 63 4.661 7.782 -10.836 1.00 0.00 N ATOM 985 CA GLU A 63 4.498 7.176 -12.169 1.00 0.00 C ATOM 986 C GLU A 63 5.569 7.629 -13.185 1.00 0.00 C ATOM 987 O GLU A 63 5.855 6.898 -14.138 1.00 0.00 O ATOM 988 CB GLU A 63 3.092 7.475 -12.718 1.00 0.00 C ATOM 989 CG GLU A 63 1.974 6.847 -11.869 1.00 0.00 C ATOM 990 CD GLU A 63 0.565 7.145 -12.425 1.00 0.00 C ATOM 991 OE1 GLU A 63 0.362 7.133 -13.664 1.00 0.00 O ATOM 992 OE2 GLU A 63 -0.366 7.378 -11.615 1.00 0.00 O ATOM 0 H GLU A 63 3.840 8.296 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 63 4.629 6.102 -12.038 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.946 8.554 -12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.019 7.102 -13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.121 5.768 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.044 7.222 -10.848 1.00 0.00 H new ATOM 999 N LYS A 64 6.201 8.792 -12.955 1.00 0.00 N ATOM 1000 CA LYS A 64 7.388 9.273 -13.681 1.00 0.00 C ATOM 1001 C LYS A 64 8.695 8.818 -13.019 1.00 0.00 C ATOM 1002 O LYS A 64 9.528 8.200 -13.683 1.00 0.00 O ATOM 1003 CB LYS A 64 7.342 10.807 -13.810 1.00 0.00 C ATOM 1004 CG LYS A 64 6.151 11.281 -14.662 1.00 0.00 C ATOM 1005 CD LYS A 64 6.164 12.794 -14.928 1.00 0.00 C ATOM 1006 CE LYS A 64 5.994 13.615 -13.642 1.00 0.00 C ATOM 1007 NZ LYS A 64 5.941 15.073 -13.929 1.00 0.00 N ATOM 0 H LYS A 64 5.890 9.444 -12.235 1.00 0.00 H new ATOM 0 HA LYS A 64 7.369 8.831 -14.677 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.277 11.252 -12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.271 11.161 -14.257 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.159 10.751 -15.614 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.222 11.015 -14.157 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.103 13.068 -15.409 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.364 13.045 -15.625 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.080 13.310 -13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.822 13.406 -12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.826 15.598 -13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.824 15.368 -14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.136 15.274 -14.556 1.00 0.00 H new ATOM 1021 N ASN A 65 8.873 9.070 -11.718 1.00 0.00 N ATOM 1022 CA ASN A 65 10.145 8.854 -11.007 1.00 0.00 C ATOM 1023 C ASN A 65 10.537 7.372 -10.847 1.00 0.00 C ATOM 1024 O ASN A 65 11.713 7.074 -10.637 1.00 0.00 O ATOM 1025 CB ASN A 65 10.115 9.578 -9.647 1.00 0.00 C ATOM 1026 CG ASN A 65 10.071 11.097 -9.740 1.00 0.00 C ATOM 1027 OD1 ASN A 65 10.309 11.711 -10.772 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.782 11.754 -8.643 1.00 0.00 N ATOM 0 H ASN A 65 8.132 9.434 -11.119 1.00 0.00 H new ATOM 0 HA ASN A 65 10.927 9.283 -11.634 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.245 9.236 -9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.996 9.287 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.756 12.774 -8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.583 11.246 -7.781 1.00 0.00 H new ATOM 1035 N ARG A 66 9.599 6.429 -11.022 1.00 0.00 N ATOM 1036 CA ARG A 66 9.875 4.982 -11.117 1.00 0.00 C ATOM 1037 C ARG A 66 10.906 4.621 -12.195 1.00 0.00 C ATOM 1038 O ARG A 66 11.633 3.645 -12.036 1.00 0.00 O ATOM 1039 CB ARG A 66 8.552 4.231 -11.337 1.00 0.00 C ATOM 1040 CG ARG A 66 7.826 4.657 -12.621 1.00 0.00 C ATOM 1041 CD ARG A 66 6.538 3.856 -12.825 1.00 0.00 C ATOM 1042 NE ARG A 66 6.658 2.967 -13.986 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.273 3.226 -15.223 1.00 0.00 C ATOM 1044 NH1 ARG A 66 6.265 2.279 -16.112 1.00 0.00 N ATOM 1045 NH2 ARG A 66 5.883 4.412 -15.607 1.00 0.00 N ATOM 0 H ARG A 66 8.607 6.652 -11.103 1.00 0.00 H new ATOM 0 HA ARG A 66 10.328 4.673 -10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.751 3.160 -11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.897 4.402 -10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.591 5.720 -12.573 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.485 4.515 -13.478 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.324 3.269 -11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.699 4.537 -12.968 1.00 0.00 H new ATOM 0 HE ARG A 66 7.083 2.054 -13.821 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.556 1.336 -15.855 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.968 2.479 -17.067 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.867 5.184 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.594 4.566 -16.573 1.00 0.00 H new ATOM 1059 N ASN A 67 11.017 5.423 -13.257 1.00 0.00 N ATOM 1060 CA ASN A 67 11.992 5.231 -14.338 1.00 0.00 C ATOM 1061 C ASN A 67 13.443 5.566 -13.924 1.00 0.00 C ATOM 1062 O ASN A 67 14.383 5.157 -14.606 1.00 0.00 O ATOM 1063 CB ASN A 67 11.552 6.060 -15.556 1.00 0.00 C ATOM 1064 CG ASN A 67 10.208 5.617 -16.113 1.00 0.00 C ATOM 1065 OD1 ASN A 67 10.093 4.611 -16.799 1.00 0.00 O ATOM 1066 ND2 ASN A 67 9.152 6.344 -15.833 1.00 0.00 N ATOM 0 H ASN A 67 10.421 6.240 -13.394 1.00 0.00 H new ATOM 0 HA ASN A 67 12.006 4.171 -14.591 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.495 7.111 -15.273 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.308 5.980 -16.337 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.236 6.070 -16.187 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.248 7.183 -15.261 1.00 0.00 H new ATOM 1073 N GLU A 68 13.647 6.278 -12.808 1.00 0.00 N ATOM 1074 CA GLU A 68 14.977 6.538 -12.231 1.00 0.00 C ATOM 1075 C GLU A 68 15.534 5.337 -11.438 1.00 0.00 C ATOM 1076 O GLU A 68 16.725 5.303 -11.120 1.00 0.00 O ATOM 1077 CB GLU A 68 14.928 7.786 -11.330 1.00 0.00 C ATOM 1078 CG GLU A 68 14.386 9.052 -12.016 1.00 0.00 C ATOM 1079 CD GLU A 68 15.095 9.395 -13.343 1.00 0.00 C ATOM 1080 OE1 GLU A 68 14.404 9.787 -14.315 1.00 0.00 O ATOM 1081 OE2 GLU A 68 16.345 9.308 -13.420 1.00 0.00 O ATOM 0 H GLU A 68 12.886 6.695 -12.273 1.00 0.00 H new ATOM 0 HA GLU A 68 15.655 6.709 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.308 7.566 -10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.933 7.991 -10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.321 8.922 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.487 9.895 -11.333 1.00 0.00 H new ATOM 1088 N ILE A 69 14.692 4.348 -11.110 1.00 0.00 N ATOM 1089 CA ILE A 69 15.085 3.116 -10.417 1.00 0.00 C ATOM 1090 C ILE A 69 15.828 2.180 -11.387 1.00 0.00 C ATOM 1091 O ILE A 69 15.369 1.928 -12.505 1.00 0.00 O ATOM 1092 CB ILE A 69 13.855 2.418 -9.789 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.064 3.378 -8.864 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.292 1.164 -9.011 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.760 2.784 -8.321 1.00 0.00 C ATOM 0 H ILE A 69 13.695 4.384 -11.325 1.00 0.00 H new ATOM 0 HA ILE A 69 15.763 3.372 -9.603 1.00 0.00 H new ATOM 0 HB ILE A 69 13.192 2.120 -10.601 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.699 3.663 -8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.834 4.290 -9.415 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.417 0.683 -8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.787 0.469 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.982 1.450 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.265 3.516 -7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.104 2.525 -9.152 1.00 0.00 H new ATOM 0 HD13 ILE A 69 11.982 1.888 -7.741 1.00 0.00 H new ATOM 1107 N LYS A 70 16.953 1.626 -10.926 1.00 0.00 N ATOM 1108 CA LYS A 70 17.785 0.622 -11.611 1.00 0.00 C ATOM 1109 C LYS A 70 18.014 -0.627 -10.752 1.00 0.00 C ATOM 1110 O LYS A 70 17.734 -0.621 -9.553 1.00 0.00 O ATOM 1111 CB LYS A 70 19.085 1.289 -12.117 1.00 0.00 C ATOM 1112 CG LYS A 70 19.945 2.053 -11.085 1.00 0.00 C ATOM 1113 CD LYS A 70 20.767 1.169 -10.133 1.00 0.00 C ATOM 1114 CE LYS A 70 21.645 2.049 -9.233 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.553 1.242 -8.375 1.00 0.00 N ATOM 0 H LYS A 70 17.332 1.878 -10.013 1.00 0.00 H new ATOM 0 HA LYS A 70 17.252 0.248 -12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.707 0.515 -12.566 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.818 1.984 -12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 70 20.627 2.713 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.290 2.688 -10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.101 0.559 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.391 0.483 -10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.237 2.723 -9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.009 2.670 -8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.208 1.874 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.991 0.705 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.095 0.582 -8.968 1.00 0.00 H new ATOM 1129 N ASN A 71 18.539 -1.700 -11.343 1.00 0.00 N ATOM 1130 CA ASN A 71 18.911 -2.906 -10.591 1.00 0.00 C ATOM 1131 C ASN A 71 19.991 -2.592 -9.531 1.00 0.00 C ATOM 1132 O ASN A 71 21.052 -2.051 -9.851 1.00 0.00 O ATOM 1133 CB ASN A 71 19.295 -4.058 -11.548 1.00 0.00 C ATOM 1134 CG ASN A 71 20.219 -3.716 -12.716 1.00 0.00 C ATOM 1135 OD1 ASN A 71 20.001 -4.140 -13.842 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.253 -2.929 -12.522 1.00 0.00 N ATOM 0 H ASN A 71 18.718 -1.762 -12.345 1.00 0.00 H new ATOM 0 HA ASN A 71 18.042 -3.255 -10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.771 -4.842 -10.959 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.376 -4.479 -11.956 1.00 0.00 H new ATOM 0 HD21 ASN A 71 21.859 -2.681 -13.304 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.450 -2.566 -11.589 1.00 0.00 H new ATOM 1143 N GLY A 72 19.714 -2.905 -8.264 1.00 0.00 N ATOM 1144 CA GLY A 72 20.554 -2.530 -7.122 1.00 0.00 C ATOM 1145 C GLY A 72 20.385 -1.072 -6.672 1.00 0.00 C ATOM 1146 O GLY A 72 21.367 -0.437 -6.285 1.00 0.00 O ATOM 0 H GLY A 72 18.885 -3.436 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.323 -3.187 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.599 -2.700 -7.382 1.00 0.00 H new ATOM 1150 N THR A 73 19.181 -0.495 -6.768 1.00 0.00 N ATOM 1151 CA THR A 73 18.871 0.819 -6.158 1.00 0.00 C ATOM 1152 C THR A 73 18.609 0.671 -4.658 1.00 0.00 C ATOM 1153 O THR A 73 17.822 -0.189 -4.251 1.00 0.00 O ATOM 1154 CB THR A 73 17.657 1.498 -6.812 1.00 0.00 C ATOM 1155 OG1 THR A 73 17.906 1.666 -8.181 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.362 2.899 -6.279 1.00 0.00 C ATOM 0 H THR A 73 18.395 -0.915 -7.265 1.00 0.00 H new ATOM 0 HA THR A 73 19.745 1.449 -6.324 1.00 0.00 H new ATOM 0 HB THR A 73 16.811 0.848 -6.591 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.038 0.790 -8.599 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.491 3.308 -6.792 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.161 2.846 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.223 3.544 -6.455 1.00 0.00 H new ATOM 1164 N ILE A 74 19.228 1.527 -3.836 1.00 0.00 N ATOM 1165 CA ILE A 74 18.896 1.647 -2.410 1.00 0.00 C ATOM 1166 C ILE A 74 17.734 2.641 -2.262 1.00 0.00 C ATOM 1167 O ILE A 74 17.875 3.837 -2.539 1.00 0.00 O ATOM 1168 CB ILE A 74 20.109 2.046 -1.540 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.374 1.218 -1.873 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.736 1.870 -0.053 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.639 1.741 -1.185 1.00 0.00 C ATOM 0 H ILE A 74 19.972 2.155 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 74 18.593 0.668 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 74 20.350 3.088 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.210 0.182 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.528 1.221 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.585 2.149 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.885 2.508 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.474 0.829 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.488 1.116 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.827 2.767 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.503 1.712 -0.104 1.00 0.00 H new ATOM 1183 N LEU A 75 16.583 2.131 -1.837 1.00 0.00 N ATOM 1184 CA LEU A 75 15.362 2.882 -1.547 1.00 0.00 C ATOM 1185 C LEU A 75 15.092 2.926 -0.032 1.00 0.00 C ATOM 1186 O LEU A 75 15.799 2.309 0.764 1.00 0.00 O ATOM 1187 CB LEU A 75 14.183 2.243 -2.311 1.00 0.00 C ATOM 1188 CG LEU A 75 14.286 2.239 -3.848 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.054 1.553 -4.435 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.347 3.650 -4.433 1.00 0.00 C ATOM 0 H LEU A 75 16.468 1.130 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 75 15.482 3.913 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.075 1.212 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.270 2.768 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 75 15.206 1.713 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.124 1.548 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.000 0.527 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.157 2.093 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.419 3.591 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.445 4.197 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.221 4.170 -4.039 1.00 0.00 H new ATOM 1202 N ARG A 76 14.036 3.632 0.373 1.00 0.00 N ATOM 1203 CA ARG A 76 13.544 3.756 1.748 1.00 0.00 C ATOM 1204 C ARG A 76 12.019 3.861 1.758 1.00 0.00 C ATOM 1205 O ARG A 76 11.445 4.557 0.920 1.00 0.00 O ATOM 1206 CB ARG A 76 14.235 4.976 2.379 1.00 0.00 C ATOM 1207 CG ARG A 76 13.956 5.139 3.876 1.00 0.00 C ATOM 1208 CD ARG A 76 14.948 6.141 4.477 1.00 0.00 C ATOM 1209 NE ARG A 76 14.806 6.237 5.941 1.00 0.00 N ATOM 1210 CZ ARG A 76 15.642 5.792 6.865 1.00 0.00 C ATOM 1211 NH1 ARG A 76 16.730 5.125 6.596 1.00 0.00 N ATOM 1212 NH2 ARG A 76 15.393 6.022 8.122 1.00 0.00 N ATOM 0 H ARG A 76 13.468 4.164 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 76 13.785 2.873 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.311 4.892 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.909 5.876 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.934 5.486 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.045 4.177 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.966 5.839 4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.789 7.123 4.031 1.00 0.00 H new ATOM 0 HE ARG A 76 13.964 6.701 6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.976 4.920 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.335 4.808 7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.558 6.542 8.389 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.033 5.682 8.839 1.00 0.00 H new ATOM 1226 N LEU A 77 11.364 3.171 2.690 1.00 0.00 N ATOM 1227 CA LEU A 77 9.928 3.316 2.946 1.00 0.00 C ATOM 1228 C LEU A 77 9.675 4.525 3.861 1.00 0.00 C ATOM 1229 O LEU A 77 10.393 4.734 4.840 1.00 0.00 O ATOM 1230 CB LEU A 77 9.392 1.999 3.532 1.00 0.00 C ATOM 1231 CG LEU A 77 7.898 1.993 3.879 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.045 2.041 2.607 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.534 0.723 4.639 1.00 0.00 C ATOM 0 H LEU A 77 11.818 2.488 3.296 1.00 0.00 H new ATOM 0 HA LEU A 77 9.389 3.511 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.585 1.198 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.958 1.765 4.434 1.00 0.00 H new ATOM 0 HG LEU A 77 7.701 2.872 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.989 2.036 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.273 2.950 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.266 1.171 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.471 0.734 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.758 -0.147 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.113 0.673 5.561 1.00 0.00 H new ATOM 1245 N THR A 78 8.656 5.325 3.549 1.00 0.00 N ATOM 1246 CA THR A 78 8.317 6.554 4.286 1.00 0.00 C ATOM 1247 C THR A 78 6.842 6.924 4.081 1.00 0.00 C ATOM 1248 O THR A 78 6.250 6.561 3.065 1.00 0.00 O ATOM 1249 CB THR A 78 9.277 7.687 3.862 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.994 8.880 4.560 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.248 8.008 2.363 1.00 0.00 C ATOM 0 H THR A 78 8.030 5.139 2.766 1.00 0.00 H new ATOM 0 HA THR A 78 8.446 6.389 5.356 1.00 0.00 H new ATOM 0 HB THR A 78 10.269 7.308 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.616 9.581 4.275 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.950 8.814 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.530 7.121 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.243 8.317 2.077 1.00 0.00 H new ATOM 1259 N THR A 79 6.205 7.612 5.033 1.00 0.00 N ATOM 1260 CA THR A 79 4.843 8.142 4.832 1.00 0.00 C ATOM 1261 C THR A 79 4.854 9.333 3.862 1.00 0.00 C ATOM 1262 O THR A 79 5.708 10.220 3.938 1.00 0.00 O ATOM 1263 CB THR A 79 4.132 8.496 6.148 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.946 9.294 6.988 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.724 7.242 6.926 1.00 0.00 C ATOM 0 H THR A 79 6.604 7.817 5.949 1.00 0.00 H new ATOM 0 HA THR A 79 4.261 7.337 4.383 1.00 0.00 H new ATOM 0 HB THR A 79 3.241 9.057 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.460 9.500 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.224 7.533 7.850 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.045 6.643 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.612 6.656 7.163 1.00 0.00 H new ATOM 1273 N SER A 80 3.909 9.343 2.923 1.00 0.00 N ATOM 1274 CA SER A 80 3.853 10.268 1.786 1.00 0.00 C ATOM 1275 C SER A 80 3.544 11.722 2.190 1.00 0.00 C ATOM 1276 O SER A 80 2.672 11.939 3.038 1.00 0.00 O ATOM 1277 CB SER A 80 2.780 9.786 0.804 1.00 0.00 C ATOM 1278 OG SER A 80 2.699 10.665 -0.303 1.00 0.00 O ATOM 0 H SER A 80 3.131 8.683 2.931 1.00 0.00 H new ATOM 0 HA SER A 80 4.843 10.269 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.017 8.779 0.461 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.814 9.733 1.307 1.00 0.00 H new ATOM 0 HG SER A 80 2.012 10.346 -0.924 1.00 0.00 H new