USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 338 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 Set 1.1: A 47 CYS SG : rot -72:sc= 0.00236 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 68:sc= 0.75 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0162 X(o=-0.016,f=0.21) USER MOD Single : A 40 SER OG : rot -172:sc= -1.03 USER MOD Single : A 44 HIS : no HD1:sc= -2.25! C(o=-2.3!,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -5.03 K(o=-5,f=-11!) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -8.39! (180deg=-9.31!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 15.786 -17.180 21.750 1.00 0.00 N ATOM 86 CA VAL A 6 16.964 -17.092 20.903 1.00 0.00 C ATOM 87 C VAL A 6 16.668 -16.168 19.719 1.00 0.00 C ATOM 88 O VAL A 6 17.475 -15.302 19.387 1.00 0.00 O ATOM 89 CB VAL A 6 17.406 -18.492 20.473 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.391 -19.115 19.513 1.00 0.00 C ATOM 91 CG2 VAL A 6 18.802 -18.459 19.849 1.00 0.00 C ATOM 0 HA VAL A 6 17.798 -16.658 21.454 1.00 0.00 H new ATOM 0 HB VAL A 6 17.453 -19.118 21.364 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.728 -20.110 19.222 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.422 -19.190 20.007 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.298 -18.489 18.625 1.00 0.00 H new ATOM 0 HG21 VAL A 6 19.092 -19.467 19.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 18.794 -17.811 18.973 1.00 0.00 H new ATOM 0 HG23 VAL A 6 19.517 -18.075 20.577 1.00 0.00 H new ATOM 101 N ILE A 7 15.509 -16.385 19.117 1.00 0.00 N ATOM 102 CA ILE A 7 15.096 -15.582 17.978 1.00 0.00 C ATOM 103 C ILE A 7 14.677 -14.193 18.463 1.00 0.00 C ATOM 104 O ILE A 7 14.736 -13.224 17.707 1.00 0.00 O ATOM 105 CB ILE A 7 14.012 -16.307 17.177 1.00 0.00 C ATOM 106 CG1 ILE A 7 14.438 -17.738 16.847 1.00 0.00 C ATOM 107 CG2 ILE A 7 13.638 -15.517 15.921 1.00 0.00 C ATOM 108 CD1 ILE A 7 15.778 -17.755 16.110 1.00 0.00 C ATOM 0 H ILE A 7 14.842 -17.105 19.396 1.00 0.00 H new ATOM 0 HA ILE A 7 15.929 -15.441 17.289 1.00 0.00 H new ATOM 0 HB ILE A 7 13.117 -16.372 17.796 1.00 0.00 H new ATOM 0 HG12 ILE A 7 14.517 -18.319 17.766 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.675 -18.216 16.233 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.866 -16.054 15.370 1.00 0.00 H new ATOM 0 HG22 ILE A 7 13.263 -14.535 16.207 1.00 0.00 H new ATOM 0 HG23 ILE A 7 14.519 -15.399 15.290 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.058 -18.785 15.887 1.00 0.00 H new ATOM 0 HD12 ILE A 7 15.689 -17.194 15.180 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.544 -17.298 16.737 1.00 0.00 H new ATOM 119 N GLN A 8 14.263 -14.139 19.720 1.00 0.00 N ATOM 120 CA GLN A 8 13.835 -12.885 20.315 1.00 0.00 C ATOM 121 C GLN A 8 15.011 -11.911 20.405 1.00 0.00 C ATOM 122 O GLN A 8 14.903 -10.760 19.985 1.00 0.00 O ATOM 123 CB GLN A 8 13.209 -13.116 21.692 1.00 0.00 C ATOM 124 CG GLN A 8 12.017 -12.183 21.916 1.00 0.00 C ATOM 125 CD GLN A 8 11.078 -12.741 22.988 1.00 0.00 C ATOM 126 OE1 GLN A 8 10.036 -13.306 22.703 1.00 0.00 O ATOM 127 NE2 GLN A 8 11.506 -12.551 24.233 1.00 0.00 N ATOM 0 H GLN A 8 14.215 -14.945 20.344 1.00 0.00 H new ATOM 0 HA GLN A 8 13.071 -12.444 19.674 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.885 -14.153 21.779 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.956 -12.950 22.468 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.373 -11.198 22.217 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.471 -12.053 20.981 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.389 -12.069 24.401 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.951 -12.887 25.020 1.00 0.00 H new ATOM 134 N ALA A 9 16.110 -12.408 20.954 1.00 0.00 N ATOM 135 CA ALA A 9 17.306 -11.596 21.104 1.00 0.00 C ATOM 136 C ALA A 9 17.851 -11.239 19.720 1.00 0.00 C ATOM 137 O ALA A 9 18.297 -10.115 19.496 1.00 0.00 O ATOM 138 CB ALA A 9 18.329 -12.347 21.958 1.00 0.00 C ATOM 0 H ALA A 9 16.197 -13.363 21.301 1.00 0.00 H new ATOM 0 HA ALA A 9 17.075 -10.663 21.618 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.226 -11.738 22.071 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.903 -12.551 22.940 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.588 -13.288 21.472 1.00 0.00 H new ATOM 144 N ILE A 10 17.797 -12.216 18.828 1.00 0.00 N ATOM 145 CA ILE A 10 18.280 -12.019 17.471 1.00 0.00 C ATOM 146 C ILE A 10 17.544 -10.834 16.840 1.00 0.00 C ATOM 147 O ILE A 10 18.161 -9.825 16.502 1.00 0.00 O ATOM 148 CB ILE A 10 18.162 -13.315 16.666 1.00 0.00 C ATOM 149 CG1 ILE A 10 19.211 -14.334 17.114 1.00 0.00 C ATOM 150 CG2 ILE A 10 18.238 -13.036 15.164 1.00 0.00 C ATOM 151 CD1 ILE A 10 20.600 -13.957 16.593 1.00 0.00 C ATOM 0 H ILE A 10 17.426 -13.147 19.018 1.00 0.00 H new ATOM 0 HA ILE A 10 19.341 -11.770 17.477 1.00 0.00 H new ATOM 0 HB ILE A 10 17.183 -13.752 16.862 1.00 0.00 H new ATOM 0 HG12 ILE A 10 19.229 -14.388 18.203 1.00 0.00 H new ATOM 0 HG13 ILE A 10 18.939 -15.325 16.750 1.00 0.00 H new ATOM 0 HG21 ILE A 10 18.152 -13.974 14.615 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.424 -12.371 14.876 1.00 0.00 H new ATOM 0 HG23 ILE A 10 19.192 -12.565 14.929 1.00 0.00 H new ATOM 0 HD11 ILE A 10 21.327 -14.698 16.926 1.00 0.00 H new ATOM 0 HD12 ILE A 10 20.584 -13.928 15.503 1.00 0.00 H new ATOM 0 HD13 ILE A 10 20.879 -12.976 16.978 1.00 0.00 H new ATOM 162 N GLN A 11 16.237 -10.996 16.700 1.00 0.00 N ATOM 163 CA GLN A 11 15.411 -9.954 16.116 1.00 0.00 C ATOM 164 C GLN A 11 15.549 -8.657 16.916 1.00 0.00 C ATOM 165 O GLN A 11 15.610 -7.572 16.341 1.00 0.00 O ATOM 166 CB GLN A 11 13.948 -10.394 16.032 1.00 0.00 C ATOM 167 CG GLN A 11 13.338 -10.532 17.428 1.00 0.00 C ATOM 168 CD GLN A 11 11.921 -11.104 17.352 1.00 0.00 C ATOM 169 OE1 GLN A 11 11.567 -11.838 16.444 1.00 0.00 O ATOM 170 NE2 GLN A 11 11.130 -10.729 18.354 1.00 0.00 N ATOM 0 H GLN A 11 15.729 -11.835 16.981 1.00 0.00 H new ATOM 0 HA GLN A 11 15.758 -9.770 15.099 1.00 0.00 H new ATOM 0 HB2 GLN A 11 13.378 -9.668 15.452 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.880 -11.346 15.505 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.964 -11.181 18.040 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.315 -9.558 17.917 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.488 -10.112 19.083 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.165 -11.058 18.393 1.00 0.00 H new ATOM 177 N LYS A 12 15.594 -8.813 18.231 1.00 0.00 N ATOM 178 CA LYS A 12 15.723 -7.668 19.116 1.00 0.00 C ATOM 179 C LYS A 12 16.913 -6.817 18.671 1.00 0.00 C ATOM 180 O LYS A 12 16.787 -5.605 18.505 1.00 0.00 O ATOM 181 CB LYS A 12 15.803 -8.124 20.574 1.00 0.00 C ATOM 182 CG LYS A 12 14.419 -8.129 21.225 1.00 0.00 C ATOM 183 CD LYS A 12 14.338 -9.176 22.336 1.00 0.00 C ATOM 184 CE LYS A 12 13.329 -8.761 23.410 1.00 0.00 C ATOM 185 NZ LYS A 12 14.025 -8.166 24.572 1.00 0.00 N ATOM 0 H LYS A 12 15.543 -9.715 18.705 1.00 0.00 H new ATOM 0 HA LYS A 12 14.837 -7.036 19.053 1.00 0.00 H new ATOM 0 HB2 LYS A 12 16.235 -9.124 20.623 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.467 -7.462 21.130 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.203 -7.142 21.634 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.660 -8.335 20.471 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.049 -10.138 21.913 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.321 -9.309 22.788 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.622 -8.043 22.995 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.751 -9.628 23.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.326 -7.890 25.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.682 -8.863 24.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.557 -7.326 24.266 1.00 0.00 H new ATOM 195 N SER A 13 18.044 -7.485 18.492 1.00 0.00 N ATOM 196 CA SER A 13 19.256 -6.806 18.070 1.00 0.00 C ATOM 197 C SER A 13 19.198 -6.514 16.569 1.00 0.00 C ATOM 198 O SER A 13 19.886 -5.619 16.078 1.00 0.00 O ATOM 199 CB SER A 13 20.497 -7.636 18.401 1.00 0.00 C ATOM 200 OG SER A 13 21.703 -6.923 18.136 1.00 0.00 O ATOM 0 H SER A 13 18.145 -8.490 18.632 1.00 0.00 H new ATOM 0 HA SER A 13 19.326 -5.864 18.614 1.00 0.00 H new ATOM 0 HB2 SER A 13 20.470 -7.925 19.452 1.00 0.00 H new ATOM 0 HB3 SER A 13 20.484 -8.556 17.817 1.00 0.00 H new ATOM 0 HG SER A 13 22.472 -7.486 18.362 1.00 0.00 H new ATOM 205 N ASP A 14 18.369 -7.286 15.880 1.00 0.00 N ATOM 206 CA ASP A 14 18.213 -7.122 14.445 1.00 0.00 C ATOM 207 C ASP A 14 17.375 -5.872 14.168 1.00 0.00 C ATOM 208 O ASP A 14 17.560 -5.210 13.149 1.00 0.00 O ATOM 209 CB ASP A 14 17.489 -8.321 13.830 1.00 0.00 C ATOM 210 CG ASP A 14 17.738 -8.530 12.335 1.00 0.00 C ATOM 211 OD1 ASP A 14 17.780 -7.507 11.619 1.00 0.00 O ATOM 212 OD2 ASP A 14 17.882 -9.708 11.943 1.00 0.00 O ATOM 0 H ASP A 14 17.799 -8.026 16.289 1.00 0.00 H new ATOM 0 HA ASP A 14 19.206 -7.035 14.005 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.793 -9.222 14.363 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.418 -8.201 13.991 1.00 0.00 H new ATOM 216 N GLU A 15 16.471 -5.586 15.094 1.00 0.00 N ATOM 217 CA GLU A 15 15.605 -4.427 14.962 1.00 0.00 C ATOM 218 C GLU A 15 16.135 -3.269 15.810 1.00 0.00 C ATOM 219 O GLU A 15 15.963 -2.105 15.453 1.00 0.00 O ATOM 220 CB GLU A 15 14.165 -4.773 15.345 1.00 0.00 C ATOM 221 CG GLU A 15 14.035 -4.986 16.854 1.00 0.00 C ATOM 222 CD GLU A 15 13.215 -6.240 17.163 1.00 0.00 C ATOM 223 OE1 GLU A 15 13.248 -7.161 16.319 1.00 0.00 O ATOM 224 OE2 GLU A 15 12.575 -6.251 18.237 1.00 0.00 O ATOM 0 H GLU A 15 16.320 -6.137 15.939 1.00 0.00 H new ATOM 0 HA GLU A 15 15.604 -4.115 13.917 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.498 -3.971 15.029 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.852 -5.675 14.819 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.026 -5.077 17.299 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.560 -4.116 17.308 1.00 0.00 H new ATOM 304 N ALA A 21 10.018 0.914 20.313 1.00 0.00 N ATOM 305 CA ALA A 21 9.162 -0.047 20.987 1.00 0.00 C ATOM 306 C ALA A 21 7.870 0.646 21.422 1.00 0.00 C ATOM 307 O ALA A 21 6.803 0.384 20.867 1.00 0.00 O ATOM 308 CB ALA A 21 9.917 -0.666 22.165 1.00 0.00 C ATOM 0 HA ALA A 21 8.890 -0.859 20.312 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.275 -1.387 22.671 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.811 -1.171 21.799 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.204 0.118 22.866 1.00 0.00 H new ATOM 314 N TYR A 22 8.008 1.517 22.411 1.00 0.00 N ATOM 315 CA TYR A 22 6.864 2.250 22.927 1.00 0.00 C ATOM 316 C TYR A 22 5.969 2.744 21.789 1.00 0.00 C ATOM 317 O TYR A 22 4.769 2.936 21.976 1.00 0.00 O ATOM 318 CB TYR A 22 7.437 3.458 23.670 1.00 0.00 C ATOM 319 CG TYR A 22 7.384 3.336 25.195 1.00 0.00 C ATOM 320 CD1 TYR A 22 8.068 2.319 25.829 1.00 0.00 C ATOM 321 CD2 TYR A 22 6.651 4.241 25.934 1.00 0.00 C ATOM 322 CE1 TYR A 22 8.016 2.202 27.264 1.00 0.00 C ATOM 323 CE2 TYR A 22 6.601 4.125 27.369 1.00 0.00 C ATOM 324 CZ TYR A 22 7.286 3.112 27.963 1.00 0.00 C ATOM 325 OH TYR A 22 7.237 3.002 29.317 1.00 0.00 O ATOM 0 H TYR A 22 8.894 1.732 22.869 1.00 0.00 H new ATOM 0 HA TYR A 22 6.259 1.612 23.571 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.473 3.602 23.363 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.889 4.350 23.368 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.642 1.611 25.250 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.115 5.036 25.437 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.545 1.410 27.773 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.032 4.827 27.960 1.00 0.00 H new ATOM 0 HH TYR A 22 6.680 3.720 29.684 1.00 0.00 H new ATOM 334 N LEU A 23 6.589 2.937 20.633 1.00 0.00 N ATOM 335 CA LEU A 23 5.864 3.405 19.464 1.00 0.00 C ATOM 336 C LEU A 23 5.137 2.226 18.814 1.00 0.00 C ATOM 337 O LEU A 23 3.921 2.261 18.641 1.00 0.00 O ATOM 338 CB LEU A 23 6.805 4.147 18.513 1.00 0.00 C ATOM 339 CG LEU A 23 6.540 5.644 18.340 1.00 0.00 C ATOM 340 CD1 LEU A 23 7.689 6.322 17.593 1.00 0.00 C ATOM 341 CD2 LEU A 23 5.191 5.887 17.659 1.00 0.00 C ATOM 0 H LEU A 23 7.585 2.778 20.482 1.00 0.00 H new ATOM 0 HA LEU A 23 5.102 4.129 19.752 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.827 4.018 18.870 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.748 3.672 17.533 1.00 0.00 H new ATOM 0 HG LEU A 23 6.488 6.098 19.330 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.475 7.385 17.484 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.614 6.194 18.155 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.798 5.871 16.607 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.027 6.959 17.548 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.190 5.416 16.676 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.394 5.459 18.267 1.00 0.00 H new ATOM 352 N GLU A 24 5.915 1.209 18.472 1.00 0.00 N ATOM 353 CA GLU A 24 5.360 0.021 17.845 1.00 0.00 C ATOM 354 C GLU A 24 4.311 -0.620 18.756 1.00 0.00 C ATOM 355 O GLU A 24 3.390 -1.280 18.280 1.00 0.00 O ATOM 356 CB GLU A 24 6.463 -0.978 17.490 1.00 0.00 C ATOM 357 CG GLU A 24 6.242 -1.568 16.096 1.00 0.00 C ATOM 358 CD GLU A 24 5.369 -2.823 16.164 1.00 0.00 C ATOM 359 OE1 GLU A 24 5.665 -3.674 17.032 1.00 0.00 O ATOM 360 OE2 GLU A 24 4.427 -2.904 15.348 1.00 0.00 O ATOM 0 H GLU A 24 6.924 1.183 18.617 1.00 0.00 H new ATOM 0 HA GLU A 24 4.873 0.318 16.917 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.433 -0.483 17.529 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.484 -1.779 18.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.768 -0.825 15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.203 -1.813 15.644 1.00 0.00 H new ATOM 365 N SER A 25 4.488 -0.403 20.051 1.00 0.00 N ATOM 366 CA SER A 25 3.569 -0.951 21.034 1.00 0.00 C ATOM 367 C SER A 25 2.161 -0.400 20.798 1.00 0.00 C ATOM 368 O SER A 25 1.213 -1.164 20.622 1.00 0.00 O ATOM 369 CB SER A 25 4.032 -0.634 22.458 1.00 0.00 C ATOM 370 OG SER A 25 2.992 -0.830 23.413 1.00 0.00 O ATOM 0 H SER A 25 5.254 0.145 20.442 1.00 0.00 H new ATOM 0 HA SER A 25 3.552 -2.035 20.920 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.882 -1.267 22.712 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.378 0.398 22.505 1.00 0.00 H new ATOM 0 HG SER A 25 3.327 -0.619 24.309 1.00 0.00 H new ATOM 375 N GLU A 26 2.068 0.922 20.804 1.00 0.00 N ATOM 376 CA GLU A 26 0.792 1.583 20.593 1.00 0.00 C ATOM 377 C GLU A 26 0.165 1.119 19.277 1.00 0.00 C ATOM 378 O GLU A 26 -1.046 1.228 19.090 1.00 0.00 O ATOM 379 CB GLU A 26 0.953 3.104 20.618 1.00 0.00 C ATOM 380 CG GLU A 26 0.632 3.667 22.003 1.00 0.00 C ATOM 381 CD GLU A 26 0.638 5.198 21.989 1.00 0.00 C ATOM 382 OE1 GLU A 26 1.665 5.757 21.547 1.00 0.00 O ATOM 383 OE2 GLU A 26 -0.385 5.772 22.419 1.00 0.00 O ATOM 0 H GLU A 26 2.856 1.553 20.952 1.00 0.00 H new ATOM 0 HA GLU A 26 0.123 1.308 21.408 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.973 3.370 20.341 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.294 3.555 19.876 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.344 3.307 22.328 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.363 3.304 22.725 1.00 0.00 H new ATOM 388 N VAL A 27 1.018 0.613 18.397 1.00 0.00 N ATOM 389 CA VAL A 27 0.562 0.131 17.105 1.00 0.00 C ATOM 390 C VAL A 27 -0.002 -1.282 17.261 1.00 0.00 C ATOM 391 O VAL A 27 -1.125 -1.556 16.840 1.00 0.00 O ATOM 392 CB VAL A 27 1.700 0.213 16.086 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.279 -0.391 14.744 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.179 1.656 15.912 1.00 0.00 C ATOM 0 H VAL A 27 2.022 0.527 18.554 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.243 0.760 16.725 1.00 0.00 H new ATOM 0 HB VAL A 27 2.535 -0.372 16.470 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.106 -0.320 14.038 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.011 -1.438 14.884 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.420 0.154 14.353 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.988 1.685 15.182 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.352 2.274 15.562 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.538 2.038 16.868 1.00 0.00 H new ATOM 404 N ALA A 28 0.804 -2.142 17.865 1.00 0.00 N ATOM 405 CA ALA A 28 0.401 -3.521 18.082 1.00 0.00 C ATOM 406 C ALA A 28 -0.771 -3.556 19.066 1.00 0.00 C ATOM 407 O ALA A 28 -1.734 -4.296 18.864 1.00 0.00 O ATOM 408 CB ALA A 28 1.600 -4.333 18.575 1.00 0.00 C ATOM 0 H ALA A 28 1.735 -1.911 18.211 1.00 0.00 H new ATOM 0 HA ALA A 28 0.063 -3.973 17.149 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.297 -5.367 18.738 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.393 -4.300 17.828 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.965 -3.911 19.511 1.00 0.00 H new ATOM 414 N ILE A 29 -0.653 -2.747 20.107 1.00 0.00 N ATOM 415 CA ILE A 29 -1.690 -2.676 21.122 1.00 0.00 C ATOM 416 C ILE A 29 -3.037 -2.401 20.450 1.00 0.00 C ATOM 417 O ILE A 29 -4.080 -2.813 20.954 1.00 0.00 O ATOM 418 CB ILE A 29 -1.319 -1.653 22.197 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.779 -2.119 23.580 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.866 -0.268 21.847 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.251 -1.773 23.813 1.00 0.00 C ATOM 0 H ILE A 29 0.146 -2.134 20.270 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.781 -3.630 21.641 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.233 -1.571 22.230 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.636 -3.196 23.671 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.165 -1.650 24.349 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.588 0.441 22.627 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.448 0.058 20.895 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.952 -0.315 21.769 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.553 -2.115 24.803 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.386 -0.694 23.745 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.864 -2.264 23.057 1.00 0.00 H new ATOM 432 N SER A 30 -2.969 -1.707 19.323 1.00 0.00 N ATOM 433 CA SER A 30 -4.170 -1.373 18.578 1.00 0.00 C ATOM 434 C SER A 30 -4.784 -2.640 17.978 1.00 0.00 C ATOM 435 O SER A 30 -5.998 -2.721 17.797 1.00 0.00 O ATOM 436 CB SER A 30 -3.869 -0.356 17.475 1.00 0.00 C ATOM 437 OG SER A 30 -3.125 0.756 17.963 1.00 0.00 O ATOM 0 H SER A 30 -2.101 -1.367 18.908 1.00 0.00 H new ATOM 0 HA SER A 30 -4.884 -0.922 19.266 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.311 -0.843 16.675 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.805 -0.004 17.041 1.00 0.00 H new ATOM 0 HG SER A 30 -2.223 0.463 18.210 1.00 0.00 H new ATOM 442 N GLU A 31 -3.916 -3.599 17.687 1.00 0.00 N ATOM 443 CA GLU A 31 -4.358 -4.857 17.112 1.00 0.00 C ATOM 444 C GLU A 31 -5.392 -5.523 18.022 1.00 0.00 C ATOM 445 O GLU A 31 -6.222 -6.304 17.558 1.00 0.00 O ATOM 446 CB GLU A 31 -3.172 -5.790 16.856 1.00 0.00 C ATOM 447 CG GLU A 31 -2.811 -6.576 18.118 1.00 0.00 C ATOM 448 CD GLU A 31 -3.492 -7.945 18.126 1.00 0.00 C ATOM 449 OE1 GLU A 31 -3.398 -8.631 17.085 1.00 0.00 O ATOM 450 OE2 GLU A 31 -4.092 -8.275 19.172 1.00 0.00 O ATOM 0 H GLU A 31 -2.910 -3.529 17.839 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.829 -4.649 16.151 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.416 -6.482 16.050 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.311 -5.208 16.527 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.730 -6.704 18.174 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.112 -6.011 19.001 1.00 0.00 H new ATOM 455 N GLU A 32 -5.310 -5.190 19.301 1.00 0.00 N ATOM 456 CA GLU A 32 -6.227 -5.746 20.280 1.00 0.00 C ATOM 457 C GLU A 32 -7.569 -5.013 20.225 1.00 0.00 C ATOM 458 O GLU A 32 -8.594 -5.555 20.636 1.00 0.00 O ATOM 459 CB GLU A 32 -5.629 -5.689 21.687 1.00 0.00 C ATOM 460 CG GLU A 32 -4.848 -6.967 22.002 1.00 0.00 C ATOM 461 CD GLU A 32 -4.038 -6.810 23.291 1.00 0.00 C ATOM 462 OE1 GLU A 32 -4.671 -6.856 24.368 1.00 0.00 O ATOM 463 OE2 GLU A 32 -2.804 -6.648 23.170 1.00 0.00 O ATOM 0 H GLU A 32 -4.622 -4.541 19.682 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.397 -6.795 20.036 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.970 -4.825 21.771 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.425 -5.555 22.419 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.539 -7.804 22.102 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.179 -7.202 21.174 1.00 0.00 H new ATOM 468 N LEU A 33 -7.519 -3.792 19.715 1.00 0.00 N ATOM 469 CA LEU A 33 -8.719 -2.979 19.600 1.00 0.00 C ATOM 470 C LEU A 33 -9.606 -3.539 18.487 1.00 0.00 C ATOM 471 O LEU A 33 -10.807 -3.722 18.678 1.00 0.00 O ATOM 472 CB LEU A 33 -8.351 -1.506 19.411 1.00 0.00 C ATOM 473 CG LEU A 33 -8.363 -0.643 20.675 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.795 -0.320 21.105 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.562 -1.306 21.798 1.00 0.00 C ATOM 0 H LEU A 33 -6.667 -3.345 19.377 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.299 -3.024 20.522 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.356 -1.455 18.970 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.042 -1.069 18.690 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.875 0.305 20.447 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.775 0.294 22.005 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.301 0.223 20.307 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.331 -1.247 21.310 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.586 -0.673 22.685 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.999 -2.276 22.033 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.529 -1.442 21.477 1.00 0.00 H new ATOM 486 N VAL A 34 -8.979 -3.797 17.349 1.00 0.00 N ATOM 487 CA VAL A 34 -9.696 -4.333 16.204 1.00 0.00 C ATOM 488 C VAL A 34 -10.235 -5.723 16.551 1.00 0.00 C ATOM 489 O VAL A 34 -11.229 -6.167 15.979 1.00 0.00 O ATOM 490 CB VAL A 34 -8.791 -4.333 14.971 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.486 -5.084 15.250 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.514 -4.923 13.760 1.00 0.00 C ATOM 0 H VAL A 34 -7.982 -3.645 17.195 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.552 -3.703 15.961 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.540 -3.298 14.739 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.860 -5.070 14.358 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.957 -4.602 16.072 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.711 -6.116 15.519 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.848 -4.911 12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.809 -5.950 13.977 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.402 -4.329 13.541 1.00 0.00 H new ATOM 502 N GLN A 35 -9.554 -6.371 17.485 1.00 0.00 N ATOM 503 CA GLN A 35 -9.951 -7.700 17.914 1.00 0.00 C ATOM 504 C GLN A 35 -11.007 -7.608 19.018 1.00 0.00 C ATOM 505 O GLN A 35 -11.735 -8.568 19.268 1.00 0.00 O ATOM 506 CB GLN A 35 -8.740 -8.511 18.380 1.00 0.00 C ATOM 507 CG GLN A 35 -8.561 -9.769 17.528 1.00 0.00 C ATOM 508 CD GLN A 35 -7.476 -10.675 18.110 1.00 0.00 C ATOM 509 OE1 GLN A 35 -6.341 -10.695 17.663 1.00 0.00 O ATOM 510 NE2 GLN A 35 -7.886 -11.424 19.130 1.00 0.00 N ATOM 0 H GLN A 35 -8.729 -5.999 17.956 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.388 -8.220 17.062 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.842 -7.896 18.320 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.866 -8.791 19.426 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.504 -10.313 17.474 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.297 -9.488 16.509 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.851 -11.359 19.455 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.236 -12.063 19.587 1.00 0.00 H new ATOM 517 N LYS A 36 -11.057 -6.445 19.651 1.00 0.00 N ATOM 518 CA LYS A 36 -12.011 -6.215 20.721 1.00 0.00 C ATOM 519 C LYS A 36 -13.393 -5.949 20.119 1.00 0.00 C ATOM 520 O LYS A 36 -14.412 -6.186 20.766 1.00 0.00 O ATOM 521 CB LYS A 36 -11.519 -5.101 21.648 1.00 0.00 C ATOM 522 CG LYS A 36 -12.194 -5.190 23.018 1.00 0.00 C ATOM 523 CD LYS A 36 -11.425 -4.378 24.062 1.00 0.00 C ATOM 524 CE LYS A 36 -11.913 -4.699 25.476 1.00 0.00 C ATOM 525 NZ LYS A 36 -11.962 -3.468 26.298 1.00 0.00 N ATOM 0 H LYS A 36 -10.451 -5.651 19.442 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.101 -7.102 21.347 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.438 -5.172 21.766 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.727 -4.130 21.198 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.218 -4.822 22.948 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.251 -6.232 23.332 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.360 -4.594 23.983 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.549 -3.313 23.864 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.903 -5.154 25.431 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.248 -5.428 25.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.295 -3.703 27.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.011 -3.051 26.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.614 -2.785 25.862 1.00 0.00 H new ATOM 535 N TYR A 37 -13.382 -5.460 18.887 1.00 0.00 N ATOM 536 CA TYR A 37 -14.622 -5.159 18.191 1.00 0.00 C ATOM 537 C TYR A 37 -15.522 -6.394 18.116 1.00 0.00 C ATOM 538 O TYR A 37 -16.746 -6.277 18.150 1.00 0.00 O ATOM 539 CB TYR A 37 -14.220 -4.749 16.773 1.00 0.00 C ATOM 540 CG TYR A 37 -14.633 -5.752 15.694 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.964 -6.954 15.577 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.674 -5.455 14.839 1.00 0.00 C ATOM 543 CE1 TYR A 37 -14.353 -7.898 14.562 1.00 0.00 C ATOM 544 CE2 TYR A 37 -16.062 -6.399 13.824 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.383 -7.574 13.735 1.00 0.00 C ATOM 546 OH TYR A 37 -15.750 -8.466 12.776 1.00 0.00 O ATOM 0 H TYR A 37 -12.535 -5.265 18.353 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.175 -4.377 18.712 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.667 -3.781 16.545 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.139 -4.617 16.737 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.149 -7.186 16.247 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.198 -4.515 14.931 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.839 -8.842 14.460 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.875 -6.179 13.148 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.500 -8.102 12.260 1.00 0.00 H new ATOM 555 N SER A 38 -14.881 -7.549 18.015 1.00 0.00 N ATOM 556 CA SER A 38 -15.609 -8.804 17.935 1.00 0.00 C ATOM 557 C SER A 38 -16.376 -9.049 19.236 1.00 0.00 C ATOM 558 O SER A 38 -17.521 -9.497 19.210 1.00 0.00 O ATOM 559 CB SER A 38 -14.662 -9.972 17.649 1.00 0.00 C ATOM 560 OG SER A 38 -15.203 -10.875 16.688 1.00 0.00 O ATOM 0 H SER A 38 -13.866 -7.642 17.987 1.00 0.00 H new ATOM 0 HA SER A 38 -16.319 -8.736 17.110 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.709 -9.586 17.287 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.458 -10.508 18.576 1.00 0.00 H new ATOM 0 HG SER A 38 -14.568 -11.605 16.532 1.00 0.00 H new ATOM 565 N ASN A 39 -15.714 -8.743 20.342 1.00 0.00 N ATOM 566 CA ASN A 39 -16.319 -8.924 21.651 1.00 0.00 C ATOM 567 C ASN A 39 -17.203 -7.716 21.970 1.00 0.00 C ATOM 568 O ASN A 39 -18.165 -7.831 22.727 1.00 0.00 O ATOM 569 CB ASN A 39 -15.252 -9.031 22.741 1.00 0.00 C ATOM 570 CG ASN A 39 -15.703 -9.971 23.861 1.00 0.00 C ATOM 571 OD1 ASN A 39 -16.702 -9.750 24.527 1.00 0.00 O ATOM 572 ND2 ASN A 39 -14.915 -11.028 24.030 1.00 0.00 N ATOM 0 H ASN A 39 -14.764 -8.371 20.359 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.904 -9.844 21.629 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.321 -9.396 22.308 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.047 -8.043 23.152 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.131 -11.715 24.752 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.094 -11.152 23.437 1.00 0.00 H new ATOM 578 N SER A 40 -16.844 -6.587 21.377 1.00 0.00 N ATOM 579 CA SER A 40 -17.592 -5.360 21.589 1.00 0.00 C ATOM 580 C SER A 40 -18.846 -5.354 20.713 1.00 0.00 C ATOM 581 O SER A 40 -19.844 -4.722 21.055 1.00 0.00 O ATOM 582 CB SER A 40 -16.730 -4.130 21.292 1.00 0.00 C ATOM 583 OG SER A 40 -16.097 -3.627 22.465 1.00 0.00 O ATOM 0 H SER A 40 -16.045 -6.496 20.750 1.00 0.00 H new ATOM 0 HA SER A 40 -17.888 -5.317 22.637 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.972 -4.389 20.553 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.351 -3.350 20.852 1.00 0.00 H new ATOM 0 HG SER A 40 -15.660 -2.774 22.261 1.00 0.00 H new ATOM 588 N ALA A 41 -18.753 -6.064 19.598 1.00 0.00 N ATOM 589 CA ALA A 41 -19.868 -6.148 18.669 1.00 0.00 C ATOM 590 C ALA A 41 -21.135 -6.536 19.434 1.00 0.00 C ATOM 591 O ALA A 41 -22.246 -6.280 18.974 1.00 0.00 O ATOM 592 CB ALA A 41 -19.532 -7.141 17.556 1.00 0.00 C ATOM 0 H ALA A 41 -17.923 -6.586 19.317 1.00 0.00 H new ATOM 0 HA ALA A 41 -20.049 -5.181 18.199 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.368 -7.204 16.860 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.642 -6.804 17.025 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.346 -8.124 17.989 1.00 0.00 H new ATOM 598 N LEU A 42 -20.926 -7.150 20.589 1.00 0.00 N ATOM 599 CA LEU A 42 -22.037 -7.578 21.423 1.00 0.00 C ATOM 600 C LEU A 42 -22.605 -6.367 22.167 1.00 0.00 C ATOM 601 O LEU A 42 -22.696 -6.375 23.394 1.00 0.00 O ATOM 602 CB LEU A 42 -21.607 -8.720 22.345 1.00 0.00 C ATOM 603 CG LEU A 42 -21.498 -10.101 21.695 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.051 -10.597 21.703 1.00 0.00 C ATOM 605 CD2 LEU A 42 -22.449 -11.097 22.363 1.00 0.00 C ATOM 0 H LEU A 42 -20.003 -7.362 20.968 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.841 -7.982 20.808 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.639 -8.466 22.778 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.318 -8.783 23.169 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.803 -10.014 20.652 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.001 -11.580 21.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.424 -9.899 21.148 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -19.696 -10.666 22.731 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -22.352 -12.071 21.883 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -22.198 -11.187 23.420 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.475 -10.743 22.263 1.00 0.00 H new ATOM 616 N GLY A 43 -22.974 -5.357 21.393 1.00 0.00 N ATOM 617 CA GLY A 43 -23.531 -4.142 21.963 1.00 0.00 C ATOM 618 C GLY A 43 -23.472 -2.988 20.961 1.00 0.00 C ATOM 619 O GLY A 43 -24.461 -2.687 20.296 1.00 0.00 O ATOM 0 H GLY A 43 -22.898 -5.355 20.376 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.565 -4.317 22.261 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -22.980 -3.874 22.865 1.00 0.00 H new ATOM 623 N HIS A 44 -22.300 -2.373 20.885 1.00 0.00 N ATOM 624 CA HIS A 44 -22.097 -1.259 19.974 1.00 0.00 C ATOM 625 C HIS A 44 -20.880 -0.446 20.421 1.00 0.00 C ATOM 626 O HIS A 44 -20.942 0.780 20.496 1.00 0.00 O ATOM 627 CB HIS A 44 -23.367 -0.411 19.862 1.00 0.00 C ATOM 628 CG HIS A 44 -24.188 -0.697 18.627 1.00 0.00 C ATOM 629 ND1 HIS A 44 -25.566 -0.567 18.597 1.00 0.00 N ATOM 630 CD2 HIS A 44 -23.812 -1.106 17.382 1.00 0.00 C ATOM 631 CE1 HIS A 44 -25.990 -0.887 17.383 1.00 0.00 C ATOM 632 NE2 HIS A 44 -24.901 -1.220 16.632 1.00 0.00 N ATOM 0 H HIS A 44 -21.482 -2.625 21.439 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.891 -1.636 18.972 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -23.984 -0.581 20.744 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.090 0.643 19.866 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -22.800 -1.304 17.061 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -27.017 -0.885 17.047 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -24.920 -1.509 15.654 1.00 0.00 H new ATOM 640 N VAL A 45 -19.803 -1.163 20.706 1.00 0.00 N ATOM 641 CA VAL A 45 -18.574 -0.523 21.142 1.00 0.00 C ATOM 642 C VAL A 45 -17.512 -0.669 20.050 1.00 0.00 C ATOM 643 O VAL A 45 -16.610 0.160 19.942 1.00 0.00 O ATOM 644 CB VAL A 45 -18.131 -1.104 22.488 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.229 -0.122 23.238 1.00 0.00 C ATOM 646 CG2 VAL A 45 -19.340 -1.499 23.338 1.00 0.00 C ATOM 0 H VAL A 45 -19.756 -2.180 20.644 1.00 0.00 H new ATOM 0 HA VAL A 45 -18.734 0.544 21.299 1.00 0.00 H new ATOM 0 HB VAL A 45 -17.552 -2.006 22.291 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.928 -0.559 24.190 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.343 0.088 22.639 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -17.772 0.805 23.419 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -18.998 -1.909 24.288 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -19.958 -0.620 23.523 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -19.927 -2.250 22.809 1.00 0.00 H new ATOM 656 N ASN A 46 -17.656 -1.728 19.268 1.00 0.00 N ATOM 657 CA ASN A 46 -16.721 -1.993 18.187 1.00 0.00 C ATOM 658 C ASN A 46 -16.674 -0.784 17.251 1.00 0.00 C ATOM 659 O ASN A 46 -15.730 -0.629 16.479 1.00 0.00 O ATOM 660 CB ASN A 46 -17.156 -3.209 17.368 1.00 0.00 C ATOM 661 CG ASN A 46 -18.652 -3.149 17.049 1.00 0.00 C ATOM 662 OD1 ASN A 46 -19.358 -2.230 17.432 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.094 -4.177 16.331 1.00 0.00 N ATOM 0 H ASN A 46 -18.406 -2.413 19.361 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.743 -2.187 18.627 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.584 -3.251 16.441 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.935 -4.122 17.921 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.078 -4.230 16.068 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -18.449 -4.913 16.043 1.00 0.00 H new ATOM 669 N CYS A 47 -17.705 0.042 17.352 1.00 0.00 N ATOM 670 CA CYS A 47 -17.794 1.233 16.523 1.00 0.00 C ATOM 671 C CYS A 47 -17.084 2.378 17.250 1.00 0.00 C ATOM 672 O CYS A 47 -16.601 3.314 16.618 1.00 0.00 O ATOM 673 CB CYS A 47 -19.244 1.582 16.188 1.00 0.00 C ATOM 674 SG CYS A 47 -20.048 2.371 17.631 1.00 0.00 S ATOM 0 H CYS A 47 -18.486 -0.090 17.995 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.304 1.051 15.567 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.276 2.255 15.331 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.788 0.680 15.906 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.254 1.479 18.554 1.00 0.00 H new ATOM 679 N THR A 48 -17.045 2.264 18.570 1.00 0.00 N ATOM 680 CA THR A 48 -16.402 3.277 19.390 1.00 0.00 C ATOM 681 C THR A 48 -14.899 3.013 19.484 1.00 0.00 C ATOM 682 O THR A 48 -14.091 3.879 19.150 1.00 0.00 O ATOM 683 CB THR A 48 -17.102 3.297 20.750 1.00 0.00 C ATOM 684 OG1 THR A 48 -18.419 3.755 20.457 1.00 0.00 O ATOM 685 CG2 THR A 48 -16.535 4.369 21.684 1.00 0.00 C ATOM 0 H THR A 48 -17.448 1.486 19.092 1.00 0.00 H new ATOM 0 HA THR A 48 -16.498 4.267 18.944 1.00 0.00 H new ATOM 0 HB THR A 48 -17.009 2.318 21.220 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.943 3.796 21.284 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.066 4.341 22.635 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.475 4.179 21.855 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.659 5.351 21.228 1.00 0.00 H new ATOM 693 N ILE A 49 -14.568 1.813 19.939 1.00 0.00 N ATOM 694 CA ILE A 49 -13.175 1.425 20.081 1.00 0.00 C ATOM 695 C ILE A 49 -12.413 1.801 18.809 1.00 0.00 C ATOM 696 O ILE A 49 -11.532 2.659 18.839 1.00 0.00 O ATOM 697 CB ILE A 49 -13.067 -0.057 20.446 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.999 -0.905 19.578 1.00 0.00 C ATOM 699 CG2 ILE A 49 -13.320 -0.273 21.940 1.00 0.00 C ATOM 700 CD1 ILE A 49 -13.200 -1.790 18.619 1.00 0.00 C ATOM 0 H ILE A 49 -15.240 1.097 20.214 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.710 1.968 20.904 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.048 -0.386 20.241 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.628 -1.527 20.214 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.664 -0.255 19.010 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.237 -1.335 22.173 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.583 0.284 22.518 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.320 0.078 22.194 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.886 -2.382 18.014 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.590 -1.163 17.968 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.554 -2.456 19.191 1.00 0.00 H new ATOM 711 N LYS A 50 -12.780 1.142 17.719 1.00 0.00 N ATOM 712 CA LYS A 50 -12.141 1.397 16.440 1.00 0.00 C ATOM 713 C LYS A 50 -12.087 2.906 16.194 1.00 0.00 C ATOM 714 O LYS A 50 -11.030 3.449 15.876 1.00 0.00 O ATOM 715 CB LYS A 50 -12.844 0.617 15.326 1.00 0.00 C ATOM 716 CG LYS A 50 -12.080 -0.666 14.990 1.00 0.00 C ATOM 717 CD LYS A 50 -12.812 -1.897 15.530 1.00 0.00 C ATOM 718 CE LYS A 50 -13.182 -2.856 14.397 1.00 0.00 C ATOM 719 NZ LYS A 50 -12.051 -3.762 14.095 1.00 0.00 N ATOM 0 H LYS A 50 -13.512 0.432 17.696 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.112 1.038 16.449 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.860 0.370 15.635 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.925 1.240 14.436 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.964 -0.752 13.910 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.078 -0.619 15.415 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.181 -2.411 16.255 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.714 -1.586 16.057 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.058 -3.440 14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.450 -2.289 13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.196 -4.199 13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.164 -3.220 14.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.998 -4.505 14.821 1.00 0.00 H new ATOM 729 N GLU A 51 -13.239 3.540 16.350 1.00 0.00 N ATOM 730 CA GLU A 51 -13.337 4.976 16.148 1.00 0.00 C ATOM 731 C GLU A 51 -12.085 5.673 16.686 1.00 0.00 C ATOM 732 O GLU A 51 -11.660 6.696 16.150 1.00 0.00 O ATOM 733 CB GLU A 51 -14.600 5.538 16.802 1.00 0.00 C ATOM 734 CG GLU A 51 -15.546 6.125 15.752 1.00 0.00 C ATOM 735 CD GLU A 51 -16.109 7.471 16.214 1.00 0.00 C ATOM 736 OE1 GLU A 51 -15.288 8.394 16.405 1.00 0.00 O ATOM 737 OE2 GLU A 51 -17.348 7.547 16.366 1.00 0.00 O ATOM 0 H GLU A 51 -14.113 3.086 16.614 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.406 5.169 15.077 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.109 4.749 17.355 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.328 6.309 17.523 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.014 6.253 14.809 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.364 5.429 15.565 1.00 0.00 H new ATOM 742 N LEU A 52 -11.530 5.093 17.740 1.00 0.00 N ATOM 743 CA LEU A 52 -10.335 5.646 18.356 1.00 0.00 C ATOM 744 C LEU A 52 -9.101 4.947 17.782 1.00 0.00 C ATOM 745 O LEU A 52 -8.277 5.579 17.123 1.00 0.00 O ATOM 746 CB LEU A 52 -10.434 5.566 19.881 1.00 0.00 C ATOM 747 CG LEU A 52 -10.227 6.881 20.636 1.00 0.00 C ATOM 748 CD1 LEU A 52 -11.568 7.530 20.983 1.00 0.00 C ATOM 749 CD2 LEU A 52 -9.354 6.670 21.875 1.00 0.00 C ATOM 0 H LEU A 52 -11.885 4.246 18.183 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.239 6.706 18.121 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.416 5.171 20.141 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.697 4.846 20.236 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.695 7.571 19.981 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.393 8.463 21.519 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.120 7.737 20.066 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.148 6.854 21.611 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.222 7.620 22.393 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.836 5.956 22.543 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.381 6.284 21.573 1.00 0.00 H new ATOM 760 N ARG A 53 -9.012 3.654 18.056 1.00 0.00 N ATOM 761 CA ARG A 53 -7.891 2.863 17.574 1.00 0.00 C ATOM 762 C ARG A 53 -7.530 3.270 16.144 1.00 0.00 C ATOM 763 O ARG A 53 -6.469 3.848 15.909 1.00 0.00 O ATOM 764 CB ARG A 53 -8.218 1.369 17.604 1.00 0.00 C ATOM 765 CG ARG A 53 -7.140 0.557 16.883 1.00 0.00 C ATOM 766 CD ARG A 53 -7.715 -0.142 15.649 1.00 0.00 C ATOM 767 NE ARG A 53 -6.674 -0.977 15.010 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.611 -0.486 14.358 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.444 0.840 14.253 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.717 -1.320 13.809 1.00 0.00 N ATOM 0 H ARG A 53 -9.697 3.134 18.605 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.044 3.052 18.234 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.302 1.032 18.637 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.185 1.195 17.133 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.323 1.214 16.586 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.722 -0.184 17.564 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.565 -0.761 15.935 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.084 0.599 14.940 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.772 -1.991 15.069 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.126 1.474 14.669 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.635 1.214 13.757 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.846 -2.329 13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.908 -0.946 13.313 1.00 0.00 H new ATOM 781 N ARG A 54 -8.430 2.954 15.227 1.00 0.00 N ATOM 782 CA ARG A 54 -8.219 3.280 13.827 1.00 0.00 C ATOM 783 C ARG A 54 -8.883 4.616 13.486 1.00 0.00 C ATOM 784 O ARG A 54 -8.228 5.528 12.984 1.00 0.00 O ATOM 785 CB ARG A 54 -8.787 2.190 12.915 1.00 0.00 C ATOM 786 CG ARG A 54 -7.694 1.593 12.027 1.00 0.00 C ATOM 787 CD ARG A 54 -7.649 2.295 10.668 1.00 0.00 C ATOM 788 NE ARG A 54 -6.311 2.126 10.056 1.00 0.00 N ATOM 789 CZ ARG A 54 -5.845 2.879 9.052 1.00 0.00 C ATOM 790 NH1 ARG A 54 -6.604 3.858 8.539 1.00 0.00 N ATOM 791 NH2 ARG A 54 -4.619 2.655 8.559 1.00 0.00 N ATOM 0 H ARG A 54 -9.308 2.475 15.425 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.144 3.352 13.663 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.239 1.404 13.520 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.578 2.608 12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.727 1.687 12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.877 0.528 11.885 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.414 1.882 10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.872 3.355 10.789 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.707 1.390 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.537 4.029 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.248 4.431 7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.041 1.911 8.949 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.264 3.229 7.794 1.00 0.00 H new ATOM 802 N LEU A 55 -10.174 4.689 13.775 1.00 0.00 N ATOM 803 CA LEU A 55 -10.933 5.898 13.505 1.00 0.00 C ATOM 804 C LEU A 55 -11.380 5.900 12.042 1.00 0.00 C ATOM 805 O LEU A 55 -11.615 6.959 11.462 1.00 0.00 O ATOM 806 CB LEU A 55 -10.128 7.137 13.904 1.00 0.00 C ATOM 807 CG LEU A 55 -10.944 8.382 14.257 1.00 0.00 C ATOM 808 CD1 LEU A 55 -10.434 9.023 15.549 1.00 0.00 C ATOM 809 CD2 LEU A 55 -10.961 9.374 13.093 1.00 0.00 C ATOM 0 H LEU A 55 -10.713 3.931 14.193 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.837 5.923 14.114 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.505 6.881 14.761 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.455 7.388 13.084 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.975 8.076 14.434 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.031 9.906 15.777 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.516 8.308 16.367 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.391 9.313 15.424 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.548 10.250 13.370 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.941 9.679 12.860 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.407 8.901 12.218 1.00 0.00 H new ATOM 820 N PHE A 56 -11.484 4.702 11.487 1.00 0.00 N ATOM 821 CA PHE A 56 -11.898 4.551 10.102 1.00 0.00 C ATOM 822 C PHE A 56 -12.786 3.317 9.926 1.00 0.00 C ATOM 823 O PHE A 56 -13.812 3.377 9.250 1.00 0.00 O ATOM 824 CB PHE A 56 -10.626 4.374 9.271 1.00 0.00 C ATOM 825 CG PHE A 56 -10.868 4.347 7.761 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.155 3.173 7.139 1.00 0.00 C ATOM 827 CD2 PHE A 56 -10.794 5.498 7.041 1.00 0.00 C ATOM 828 CE1 PHE A 56 -11.379 3.148 5.737 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.019 5.474 5.639 1.00 0.00 C ATOM 830 CZ PHE A 56 -11.306 4.299 5.016 1.00 0.00 C ATOM 0 H PHE A 56 -11.289 3.826 11.971 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.470 5.424 9.788 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.937 5.186 9.504 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.137 3.446 9.567 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.213 2.259 7.711 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.564 6.430 7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.607 2.215 5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.962 6.389 5.067 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.476 4.280 3.950 1.00 0.00 H new ATOM 839 N LEU A 57 -12.358 2.227 10.545 1.00 0.00 N ATOM 840 CA LEU A 57 -13.100 0.980 10.465 1.00 0.00 C ATOM 841 C LEU A 57 -14.435 1.139 11.195 1.00 0.00 C ATOM 842 O LEU A 57 -15.476 0.726 10.688 1.00 0.00 O ATOM 843 CB LEU A 57 -12.251 -0.183 10.982 1.00 0.00 C ATOM 844 CG LEU A 57 -12.421 -1.514 10.249 1.00 0.00 C ATOM 845 CD1 LEU A 57 -11.672 -2.637 10.971 1.00 0.00 C ATOM 846 CD2 LEU A 57 -13.902 -1.847 10.052 1.00 0.00 C ATOM 0 H LEU A 57 -11.506 2.181 11.104 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.330 0.739 9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.202 0.107 10.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.486 -0.338 12.035 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.978 -1.417 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.809 -3.573 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.610 -2.396 11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.063 -2.743 11.983 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.994 -2.798 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.391 -1.918 11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.376 -1.061 9.464 1.00 0.00 H new ATOM 857 N VAL A 58 -14.361 1.740 12.374 1.00 0.00 N ATOM 858 CA VAL A 58 -15.551 1.957 13.179 1.00 0.00 C ATOM 859 C VAL A 58 -16.446 0.720 13.104 1.00 0.00 C ATOM 860 O VAL A 58 -17.307 0.624 12.232 1.00 0.00 O ATOM 861 CB VAL A 58 -16.260 3.237 12.728 1.00 0.00 C ATOM 862 CG1 VAL A 58 -16.415 3.270 11.205 1.00 0.00 C ATOM 863 CG2 VAL A 58 -17.616 3.385 13.419 1.00 0.00 C ATOM 0 H VAL A 58 -13.496 2.083 12.791 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.283 2.100 14.226 1.00 0.00 H new ATOM 0 HB VAL A 58 -15.640 4.084 13.021 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -16.922 4.189 10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -15.431 3.233 10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.003 2.412 10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.098 4.302 13.081 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.246 2.531 13.171 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.472 3.428 14.499 1.00 0.00 H new ATOM 873 N ASP A 59 -16.211 -0.198 14.031 1.00 0.00 N ATOM 874 CA ASP A 59 -16.987 -1.426 14.081 1.00 0.00 C ATOM 875 C ASP A 59 -16.941 -2.109 12.713 1.00 0.00 C ATOM 876 O ASP A 59 -17.676 -1.734 11.802 1.00 0.00 O ATOM 877 CB ASP A 59 -18.451 -1.141 14.418 1.00 0.00 C ATOM 878 CG ASP A 59 -19.441 -2.213 13.961 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.019 -3.389 13.905 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.598 -1.835 13.677 1.00 0.00 O ATOM 0 H ASP A 59 -15.495 -0.116 14.753 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.558 -2.064 14.854 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.543 -1.020 15.497 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.734 -0.190 13.966 1.00 0.00 H new ATOM 884 N ASP A 60 -16.067 -3.101 12.612 1.00 0.00 N ATOM 885 CA ASP A 60 -15.915 -3.841 11.370 1.00 0.00 C ATOM 886 C ASP A 60 -17.102 -4.792 11.200 1.00 0.00 C ATOM 887 O ASP A 60 -17.943 -4.589 10.325 1.00 0.00 O ATOM 888 CB ASP A 60 -14.636 -4.678 11.381 1.00 0.00 C ATOM 889 CG ASP A 60 -14.262 -5.304 10.037 1.00 0.00 C ATOM 890 OD1 ASP A 60 -15.198 -5.743 9.334 1.00 0.00 O ATOM 891 OD2 ASP A 60 -13.047 -5.330 9.741 1.00 0.00 O ATOM 0 H ASP A 60 -15.457 -3.409 13.370 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.868 -3.122 10.552 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.811 -4.049 11.714 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.747 -5.474 12.117 1.00 0.00 H new