USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 501 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -5.56! C(o=-5.6!,f=-10!) USER MOD Single : A 17 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.022) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= -3.17! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 140:sc= -0.211 (180deg=-0.596) USER MOD Single : A 43 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -7.38! C(o=-7.4!,f=-24!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.848) USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= -2.1 (180deg=-4.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.12) USER MOD Single : A 69 MET CE :methyl 140:sc= -2.42! (180deg=-6.97!) USER MOD Single : A 72 GLN : amide:sc= 0.856 K(o=0.86,f=-0.029) USER MOD Single : A 75 TYR OH : rot 130:sc= -2.58! USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.925 -9.086 -10.775 1.00 0.00 N ATOM 60 CA GLY A 7 -0.945 -7.688 -10.378 1.00 0.00 C ATOM 61 C GLY A 7 -0.179 -7.479 -9.069 1.00 0.00 C ATOM 62 O GLY A 7 0.301 -8.437 -8.467 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.502 -7.077 -11.164 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.976 -7.355 -10.258 1.00 0.00 H new ATOM 66 N PRO A 8 -0.086 -6.186 -8.658 1.00 0.00 N ATOM 67 CA PRO A 8 0.613 -5.838 -7.433 1.00 0.00 C ATOM 68 C PRO A 8 -0.221 -6.206 -6.203 1.00 0.00 C ATOM 69 O PRO A 8 0.328 -6.555 -5.159 1.00 0.00 O ATOM 70 CB PRO A 8 0.883 -4.347 -7.543 1.00 0.00 C ATOM 71 CG PRO A 8 -0.077 -3.827 -8.602 1.00 0.00 C ATOM 72 CD PRO A 8 -0.642 -5.024 -9.347 1.00 0.00 C ATOM 0 HA PRO A 8 1.545 -6.389 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.718 -3.849 -6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.918 -4.157 -7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.879 -3.251 -8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.440 -3.158 -9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.732 -5.030 -9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.351 -5.010 -10.397 1.00 0.00 H new ATOM 80 N ILE A 9 -1.532 -6.114 -6.368 1.00 0.00 N ATOM 81 CA ILE A 9 -2.447 -6.433 -5.285 1.00 0.00 C ATOM 82 C ILE A 9 -2.377 -7.932 -4.988 1.00 0.00 C ATOM 83 O ILE A 9 -1.810 -8.343 -3.977 1.00 0.00 O ATOM 84 CB ILE A 9 -3.857 -5.935 -5.610 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.834 -4.468 -6.041 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.807 -6.173 -4.435 1.00 0.00 C ATOM 87 CD1 ILE A 9 -5.228 -3.999 -6.464 1.00 0.00 C ATOM 0 H ILE A 9 -1.983 -5.823 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.153 -5.913 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.237 -6.512 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.472 -3.850 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.136 -4.339 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.802 -5.810 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.855 -7.240 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.442 -5.639 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.184 -2.953 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.577 -4.604 -7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.918 -4.106 -5.627 1.00 0.00 H new ATOM 99 N SER A 10 -2.961 -8.709 -5.888 1.00 0.00 N ATOM 100 CA SER A 10 -2.972 -10.154 -5.736 1.00 0.00 C ATOM 101 C SER A 10 -1.634 -10.630 -5.166 1.00 0.00 C ATOM 102 O SER A 10 -1.602 -11.471 -4.270 1.00 0.00 O ATOM 103 CB SER A 10 -3.258 -10.846 -7.070 1.00 0.00 C ATOM 104 OG SER A 10 -4.467 -11.600 -7.031 1.00 0.00 O ATOM 0 H SER A 10 -3.430 -8.365 -6.726 1.00 0.00 H new ATOM 0 HA SER A 10 -3.770 -10.419 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.322 -10.098 -7.860 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.427 -11.505 -7.322 1.00 0.00 H new ATOM 0 HG SER A 10 -4.616 -12.025 -7.901 1.00 0.00 H new ATOM 110 N ARG A 11 -0.563 -10.072 -5.711 1.00 0.00 N ATOM 111 CA ARG A 11 0.774 -10.429 -5.269 1.00 0.00 C ATOM 112 C ARG A 11 0.954 -10.082 -3.790 1.00 0.00 C ATOM 113 O ARG A 11 1.415 -10.911 -3.006 1.00 0.00 O ATOM 114 CB ARG A 11 1.839 -9.700 -6.090 1.00 0.00 C ATOM 115 CG ARG A 11 3.210 -10.356 -5.917 1.00 0.00 C ATOM 116 CD ARG A 11 4.181 -9.892 -7.004 1.00 0.00 C ATOM 117 NE ARG A 11 5.577 -10.047 -6.536 1.00 0.00 N ATOM 118 CZ ARG A 11 6.269 -11.193 -6.603 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.699 -12.290 -7.119 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.530 -11.241 -6.153 1.00 0.00 N ATOM 0 H ARG A 11 -0.594 -9.375 -6.455 1.00 0.00 H new ATOM 0 HA ARG A 11 0.894 -11.503 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.559 -9.707 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.890 -8.656 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.614 -10.110 -4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.106 -11.440 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.027 -10.473 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.987 -8.849 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 11 6.041 -9.231 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.739 -12.253 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.225 -13.162 -7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.963 -10.406 -5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.057 -12.113 -6.204 1.00 0.00 H new ATOM 134 N LEU A 12 0.581 -8.857 -3.452 1.00 0.00 N ATOM 135 CA LEU A 12 0.695 -8.390 -2.081 1.00 0.00 C ATOM 136 C LEU A 12 -0.248 -9.201 -1.191 1.00 0.00 C ATOM 137 O LEU A 12 0.152 -9.679 -0.130 1.00 0.00 O ATOM 138 CB LEU A 12 0.463 -6.880 -2.008 1.00 0.00 C ATOM 139 CG LEU A 12 1.215 -6.138 -0.901 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.525 -4.815 -0.561 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.391 -7.026 0.332 1.00 0.00 C ATOM 0 H LEU A 12 0.199 -8.173 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 12 1.706 -8.552 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.743 -6.443 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.604 -6.702 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 12 2.212 -5.896 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.080 -4.308 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.495 -4.182 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.492 -5.012 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.928 -6.475 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.412 -7.320 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.958 -7.917 0.061 1.00 0.00 H new ATOM 153 N ALA A 13 -1.482 -9.333 -1.655 1.00 0.00 N ATOM 154 CA ALA A 13 -2.485 -10.078 -0.914 1.00 0.00 C ATOM 155 C ALA A 13 -1.974 -11.498 -0.659 1.00 0.00 C ATOM 156 O ALA A 13 -2.130 -12.029 0.440 1.00 0.00 O ATOM 157 CB ALA A 13 -3.806 -10.064 -1.686 1.00 0.00 C ATOM 0 H ALA A 13 -1.810 -8.936 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.669 -9.614 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.558 -10.623 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.141 -9.035 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.661 -10.524 -2.663 1.00 0.00 H new ATOM 163 N GLN A 14 -1.375 -12.071 -1.692 1.00 0.00 N ATOM 164 CA GLN A 14 -0.840 -13.419 -1.593 1.00 0.00 C ATOM 165 C GLN A 14 0.257 -13.478 -0.529 1.00 0.00 C ATOM 166 O GLN A 14 0.496 -14.530 0.063 1.00 0.00 O ATOM 167 CB GLN A 14 -0.317 -13.901 -2.948 1.00 0.00 C ATOM 168 CG GLN A 14 -1.451 -14.472 -3.802 1.00 0.00 C ATOM 169 CD GLN A 14 -0.984 -15.702 -4.582 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.216 -16.837 -4.199 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.314 -15.415 -5.695 1.00 0.00 N ATOM 0 H GLN A 14 -1.248 -11.627 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.646 -14.088 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.158 -13.073 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.448 -14.663 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.293 -14.740 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.807 -13.711 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.155 -14.442 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.040 -16.168 -6.285 1.00 0.00 H new ATOM 180 N ILE A 15 0.895 -12.336 -0.318 1.00 0.00 N ATOM 181 CA ILE A 15 1.961 -12.245 0.665 1.00 0.00 C ATOM 182 C ILE A 15 1.351 -12.067 2.057 1.00 0.00 C ATOM 183 O ILE A 15 1.889 -12.568 3.043 1.00 0.00 O ATOM 184 CB ILE A 15 2.951 -11.144 0.281 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.629 -11.457 -1.054 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.968 -10.907 1.399 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.219 -10.191 -1.679 1.00 0.00 C ATOM 0 H ILE A 15 0.694 -11.466 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 15 2.540 -13.168 0.686 1.00 0.00 H new ATOM 0 HB ILE A 15 2.395 -10.216 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.418 -12.193 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.906 -11.902 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.660 -10.120 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.446 -10.606 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.523 -11.826 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.695 -10.441 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.424 -9.466 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.959 -9.763 -1.003 1.00 0.00 H new ATOM 199 N GLN A 16 0.237 -11.351 2.093 1.00 0.00 N ATOM 200 CA GLN A 16 -0.451 -11.100 3.348 1.00 0.00 C ATOM 201 C GLN A 16 -1.096 -12.387 3.866 1.00 0.00 C ATOM 202 O GLN A 16 -1.286 -12.549 5.070 1.00 0.00 O ATOM 203 CB GLN A 16 -1.492 -9.990 3.190 1.00 0.00 C ATOM 204 CG GLN A 16 -0.840 -8.691 2.712 1.00 0.00 C ATOM 205 CD GLN A 16 0.527 -8.489 3.370 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.530 -8.257 2.716 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.509 -8.589 4.696 1.00 0.00 N ATOM 0 H GLN A 16 -0.206 -10.937 1.273 1.00 0.00 H new ATOM 0 HA GLN A 16 0.282 -10.764 4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.256 -10.301 2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.995 -9.820 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.726 -8.715 1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.489 -7.847 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.367 -8.785 5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.371 -8.469 5.228 1.00 0.00 H new ATOM 216 N GLN A 17 -1.416 -13.269 2.930 1.00 0.00 N ATOM 217 CA GLN A 17 -2.036 -14.536 3.277 1.00 0.00 C ATOM 218 C GLN A 17 -0.966 -15.607 3.498 1.00 0.00 C ATOM 219 O GLN A 17 -1.019 -16.350 4.478 1.00 0.00 O ATOM 220 CB GLN A 17 -3.033 -14.971 2.202 1.00 0.00 C ATOM 221 CG GLN A 17 -2.327 -15.715 1.067 1.00 0.00 C ATOM 222 CD GLN A 17 -3.322 -16.134 -0.017 1.00 0.00 C ATOM 223 OE1 GLN A 17 -3.581 -17.305 -0.239 1.00 0.00 O ATOM 224 NE2 GLN A 17 -3.862 -15.114 -0.678 1.00 0.00 N ATOM 0 H GLN A 17 -1.257 -13.131 1.932 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.589 -14.405 4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.793 -15.614 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.548 -14.097 1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.558 -15.077 0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.823 -16.597 1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.601 -14.157 -0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.538 -15.289 -1.422 1.00 0.00 H new ATOM 233 N ALA A 18 -0.020 -15.654 2.572 1.00 0.00 N ATOM 234 CA ALA A 18 1.060 -16.622 2.653 1.00 0.00 C ATOM 235 C ALA A 18 1.826 -16.416 3.961 1.00 0.00 C ATOM 236 O ALA A 18 2.311 -17.376 4.558 1.00 0.00 O ATOM 237 CB ALA A 18 1.961 -16.487 1.423 1.00 0.00 C ATOM 0 H ALA A 18 0.021 -15.037 1.761 1.00 0.00 H new ATOM 0 HA ALA A 18 0.665 -17.638 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.771 -17.213 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.376 -16.671 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.378 -15.481 1.386 1.00 0.00 H new ATOM 243 N ARG A 19 1.912 -15.158 4.368 1.00 0.00 N ATOM 244 CA ARG A 19 2.610 -14.815 5.595 1.00 0.00 C ATOM 245 C ARG A 19 1.724 -15.101 6.809 1.00 0.00 C ATOM 246 O ARG A 19 2.211 -15.168 7.936 1.00 0.00 O ATOM 247 CB ARG A 19 3.015 -13.339 5.604 1.00 0.00 C ATOM 248 CG ARG A 19 4.273 -13.110 4.765 1.00 0.00 C ATOM 249 CD ARG A 19 4.650 -11.628 4.734 1.00 0.00 C ATOM 250 NE ARG A 19 6.089 -11.465 5.037 1.00 0.00 N ATOM 251 CZ ARG A 19 7.076 -12.022 4.321 1.00 0.00 C ATOM 252 NH1 ARG A 19 6.784 -12.781 3.256 1.00 0.00 N ATOM 253 NH2 ARG A 19 8.353 -11.819 4.670 1.00 0.00 N ATOM 0 H ARG A 19 1.510 -14.364 3.870 1.00 0.00 H new ATOM 0 HA ARG A 19 3.510 -15.428 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.198 -12.732 5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.193 -13.013 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.099 -13.690 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.107 -13.468 3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.427 -11.208 3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.052 -11.077 5.460 1.00 0.00 H new ATOM 0 HE ARG A 19 6.346 -10.893 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.811 -12.935 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.535 -13.205 2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.574 -11.241 5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.104 -12.243 4.125 1.00 0.00 H new ATOM 267 N LYS A 20 0.437 -15.261 6.537 1.00 0.00 N ATOM 268 CA LYS A 20 -0.522 -15.538 7.593 1.00 0.00 C ATOM 269 C LYS A 20 -0.576 -14.348 8.552 1.00 0.00 C ATOM 270 O LYS A 20 -0.824 -14.518 9.745 1.00 0.00 O ATOM 271 CB LYS A 20 -0.195 -16.866 8.279 1.00 0.00 C ATOM 272 CG LYS A 20 -0.457 -18.047 7.341 1.00 0.00 C ATOM 273 CD LYS A 20 -0.624 -19.347 8.130 1.00 0.00 C ATOM 274 CE LYS A 20 -0.413 -20.566 7.229 1.00 0.00 C ATOM 275 NZ LYS A 20 -1.662 -21.350 7.117 1.00 0.00 N ATOM 0 H LYS A 20 0.036 -15.204 5.601 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.522 -15.658 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.849 -16.870 8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.799 -16.972 9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.355 -17.857 6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.370 -18.148 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.090 -19.371 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.620 -19.384 8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.090 -20.243 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.381 -21.192 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.501 -22.173 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.954 -21.674 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.410 -20.754 6.709 1.00 0.00 H new ATOM 289 N GLU A 21 -0.340 -13.169 7.995 1.00 0.00 N ATOM 290 CA GLU A 21 -0.359 -11.950 8.787 1.00 0.00 C ATOM 291 C GLU A 21 -1.748 -11.309 8.742 1.00 0.00 C ATOM 292 O GLU A 21 -2.464 -11.301 9.742 1.00 0.00 O ATOM 293 CB GLU A 21 0.713 -10.969 8.309 1.00 0.00 C ATOM 294 CG GLU A 21 2.116 -11.529 8.552 1.00 0.00 C ATOM 295 CD GLU A 21 2.509 -11.403 10.026 1.00 0.00 C ATOM 296 OE1 GLU A 21 3.068 -10.342 10.375 1.00 0.00 O ATOM 297 OE2 GLU A 21 2.241 -12.372 10.769 1.00 0.00 O ATOM 0 H GLU A 21 -0.135 -13.032 7.005 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.133 -12.209 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.578 -10.766 7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.601 -10.019 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.151 -12.576 8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.837 -10.995 7.933 1.00 0.00 H new ATOM 304 N LYS A 22 -2.086 -10.788 7.571 1.00 0.00 N ATOM 305 CA LYS A 22 -3.376 -10.147 7.383 1.00 0.00 C ATOM 306 C LYS A 22 -3.343 -9.311 6.102 1.00 0.00 C ATOM 307 O LYS A 22 -2.406 -8.545 5.880 1.00 0.00 O ATOM 308 CB LYS A 22 -3.764 -9.348 8.629 1.00 0.00 C ATOM 309 CG LYS A 22 -4.730 -8.216 8.275 1.00 0.00 C ATOM 310 CD LYS A 22 -5.753 -7.998 9.392 1.00 0.00 C ATOM 311 CE LYS A 22 -5.838 -6.520 9.777 1.00 0.00 C ATOM 312 NZ LYS A 22 -7.243 -6.056 9.747 1.00 0.00 N ATOM 0 H LYS A 22 -1.489 -10.797 6.744 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.158 -10.895 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.227 -10.010 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.869 -8.935 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.171 -7.296 8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.247 -8.452 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.732 -8.350 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.476 -8.589 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.422 -6.373 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.237 -5.924 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.282 -5.051 10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.628 -6.178 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.807 -6.613 10.420 1.00 0.00 H new ATOM 326 N GLU A 23 -4.377 -9.485 5.292 1.00 0.00 N ATOM 327 CA GLU A 23 -4.478 -8.756 4.039 1.00 0.00 C ATOM 328 C GLU A 23 -4.001 -7.314 4.225 1.00 0.00 C ATOM 329 O GLU A 23 -3.965 -6.808 5.345 1.00 0.00 O ATOM 330 CB GLU A 23 -5.907 -8.796 3.495 1.00 0.00 C ATOM 331 CG GLU A 23 -6.168 -10.097 2.734 1.00 0.00 C ATOM 332 CD GLU A 23 -7.638 -10.207 2.323 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.167 -9.187 1.830 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.199 -11.308 2.511 1.00 0.00 O ATOM 0 H GLU A 23 -5.153 -10.121 5.479 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.833 -9.240 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.616 -8.703 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.072 -7.945 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.535 -10.137 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.897 -10.948 3.358 1.00 0.00 H new ATOM 341 N PRO A 24 -3.639 -6.677 3.079 1.00 0.00 N ATOM 342 CA PRO A 24 -3.166 -5.303 3.104 1.00 0.00 C ATOM 343 C PRO A 24 -4.326 -4.329 3.320 1.00 0.00 C ATOM 344 O PRO A 24 -5.446 -4.583 2.880 1.00 0.00 O ATOM 345 CB PRO A 24 -2.464 -5.104 1.771 1.00 0.00 C ATOM 346 CG PRO A 24 -2.968 -6.215 0.864 1.00 0.00 C ATOM 347 CD PRO A 24 -3.669 -7.245 1.735 1.00 0.00 C ATOM 0 HA PRO A 24 -2.483 -5.108 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.692 -4.124 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.382 -5.156 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.654 -5.816 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.139 -6.672 0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.692 -7.416 1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.157 -8.207 1.700 1.00 0.00 H new ATOM 355 N ASP A 25 -4.017 -3.233 3.998 1.00 0.00 N ATOM 356 CA ASP A 25 -5.020 -2.219 4.278 1.00 0.00 C ATOM 357 C ASP A 25 -4.757 -0.992 3.402 1.00 0.00 C ATOM 358 O ASP A 25 -3.829 -0.228 3.661 1.00 0.00 O ATOM 359 CB ASP A 25 -4.962 -1.776 5.741 1.00 0.00 C ATOM 360 CG ASP A 25 -6.282 -1.895 6.505 1.00 0.00 C ATOM 361 OD1 ASP A 25 -6.526 -2.995 7.047 1.00 0.00 O ATOM 362 OD2 ASP A 25 -7.016 -0.884 6.531 1.00 0.00 O ATOM 0 H ASP A 25 -3.087 -3.025 4.361 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.000 -2.648 4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.207 -2.370 6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.630 -0.738 5.778 1.00 0.00 H new ATOM 367 N TYR A 26 -5.590 -0.843 2.383 1.00 0.00 N ATOM 368 CA TYR A 26 -5.459 0.278 1.467 1.00 0.00 C ATOM 369 C TYR A 26 -6.243 1.492 1.970 1.00 0.00 C ATOM 370 O TYR A 26 -7.370 1.355 2.443 1.00 0.00 O ATOM 371 CB TYR A 26 -6.061 -0.189 0.140 1.00 0.00 C ATOM 372 CG TYR A 26 -5.161 -1.140 -0.651 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.181 -0.633 -1.480 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.330 -2.505 -0.537 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.334 -1.528 -2.225 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.483 -3.400 -1.282 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.527 -2.867 -2.089 1.00 0.00 C ATOM 378 OH TYR A 26 -2.727 -3.713 -2.793 1.00 0.00 O ATOM 0 H TYR A 26 -6.358 -1.480 2.171 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.415 0.575 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.011 -0.685 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.280 0.684 -0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.049 0.435 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.097 -2.902 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.563 -1.144 -2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.604 -4.470 -1.202 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.808 -4.619 -2.428 1.00 0.00 H new ATOM 388 N ILE A 27 -5.615 2.652 1.851 1.00 0.00 N ATOM 389 CA ILE A 27 -6.240 3.889 2.288 1.00 0.00 C ATOM 390 C ILE A 27 -6.006 4.974 1.234 1.00 0.00 C ATOM 391 O ILE A 27 -4.883 5.157 0.766 1.00 0.00 O ATOM 392 CB ILE A 27 -5.749 4.273 3.685 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.622 3.039 4.580 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.648 5.343 4.307 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.190 2.502 4.574 1.00 0.00 C ATOM 0 H ILE A 27 -4.680 2.762 1.458 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.318 3.759 2.379 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.753 4.705 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.915 3.293 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.306 2.264 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.277 5.598 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.643 6.233 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.666 4.961 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.128 1.625 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.909 2.226 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.511 3.271 4.942 1.00 0.00 H new ATOM 407 N LEU A 28 -7.083 5.664 0.892 1.00 0.00 N ATOM 408 CA LEU A 28 -7.009 6.726 -0.098 1.00 0.00 C ATOM 409 C LEU A 28 -6.441 7.987 0.555 1.00 0.00 C ATOM 410 O LEU A 28 -6.985 8.479 1.542 1.00 0.00 O ATOM 411 CB LEU A 28 -8.372 6.937 -0.760 1.00 0.00 C ATOM 412 CG LEU A 28 -8.402 7.916 -1.935 1.00 0.00 C ATOM 413 CD1 LEU A 28 -7.810 7.281 -3.194 1.00 0.00 C ATOM 414 CD2 LEU A 28 -9.819 8.445 -2.172 1.00 0.00 C ATOM 0 H LEU A 28 -8.012 5.509 1.282 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.329 6.449 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.738 5.971 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.072 7.289 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.776 8.772 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.844 7.999 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.775 6.994 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.388 6.397 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.812 9.139 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.486 7.612 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.169 8.961 -1.278 1.00 0.00 H new ATOM 426 N LEU A 29 -5.353 8.475 -0.023 1.00 0.00 N ATOM 427 CA LEU A 29 -4.704 9.670 0.491 1.00 0.00 C ATOM 428 C LEU A 29 -5.451 10.906 -0.014 1.00 0.00 C ATOM 429 O LEU A 29 -5.980 11.683 0.780 1.00 0.00 O ATOM 430 CB LEU A 29 -3.215 9.664 0.140 1.00 0.00 C ATOM 431 CG LEU A 29 -2.342 8.693 0.937 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.858 9.033 0.778 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.767 8.654 2.406 1.00 0.00 C ATOM 0 H LEU A 29 -4.904 8.065 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.750 9.692 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.113 9.428 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.825 10.672 0.281 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.488 7.691 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.259 8.328 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.581 8.969 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.676 10.045 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.131 7.956 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.669 9.649 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.805 8.329 2.476 1.00 0.00 H new ATOM 445 N SER A 30 -5.469 11.051 -1.331 1.00 0.00 N ATOM 446 CA SER A 30 -6.141 12.180 -1.951 1.00 0.00 C ATOM 447 C SER A 30 -6.251 11.959 -3.461 1.00 0.00 C ATOM 448 O SER A 30 -5.736 10.973 -3.986 1.00 0.00 O ATOM 449 CB SER A 30 -5.404 13.488 -1.658 1.00 0.00 C ATOM 450 OG SER A 30 -6.269 14.618 -1.742 1.00 0.00 O ATOM 0 H SER A 30 -5.029 10.405 -1.986 1.00 0.00 H new ATOM 0 HA SER A 30 -7.143 12.256 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.964 13.441 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.582 13.607 -2.364 1.00 0.00 H new ATOM 0 HG SER A 30 -5.762 15.433 -1.547 1.00 0.00 H new ATOM 456 N GLU A 31 -6.925 12.893 -4.116 1.00 0.00 N ATOM 457 CA GLU A 31 -7.108 12.813 -5.555 1.00 0.00 C ATOM 458 C GLU A 31 -7.048 14.209 -6.176 1.00 0.00 C ATOM 459 O GLU A 31 -7.788 15.105 -5.772 1.00 0.00 O ATOM 460 CB GLU A 31 -8.425 12.115 -5.902 1.00 0.00 C ATOM 461 CG GLU A 31 -9.619 12.878 -5.323 1.00 0.00 C ATOM 462 CD GLU A 31 -9.588 12.866 -3.793 1.00 0.00 C ATOM 463 OE1 GLU A 31 -9.939 11.808 -3.227 1.00 0.00 O ATOM 464 OE2 GLU A 31 -9.214 13.915 -3.225 1.00 0.00 O ATOM 0 H GLU A 31 -7.351 13.709 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.297 12.216 -5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.527 12.040 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.415 11.097 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.606 13.907 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.548 12.429 -5.675 1.00 0.00 H new ATOM 605 N GLU A 39 -4.758 12.468 -11.351 1.00 0.00 N ATOM 606 CA GLU A 39 -3.857 11.688 -10.521 1.00 0.00 C ATOM 607 C GLU A 39 -4.497 11.408 -9.160 1.00 0.00 C ATOM 608 O GLU A 39 -5.140 12.283 -8.581 1.00 0.00 O ATOM 609 CB GLU A 39 -2.510 12.396 -10.359 1.00 0.00 C ATOM 610 CG GLU A 39 -1.371 11.383 -10.224 1.00 0.00 C ATOM 611 CD GLU A 39 -0.694 11.136 -11.574 1.00 0.00 C ATOM 612 OE1 GLU A 39 -0.490 12.135 -12.297 1.00 0.00 O ATOM 613 OE2 GLU A 39 -0.397 9.954 -11.852 1.00 0.00 O ATOM 0 HA GLU A 39 -3.672 10.735 -11.016 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.328 13.041 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.536 13.039 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.637 11.749 -9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.760 10.444 -9.831 1.00 0.00 H new ATOM 620 N PHE A 40 -4.298 10.187 -8.688 1.00 0.00 N ATOM 621 CA PHE A 40 -4.848 9.781 -7.405 1.00 0.00 C ATOM 622 C PHE A 40 -3.767 9.162 -6.516 1.00 0.00 C ATOM 623 O PHE A 40 -2.927 8.401 -6.994 1.00 0.00 O ATOM 624 CB PHE A 40 -5.921 8.729 -7.691 1.00 0.00 C ATOM 625 CG PHE A 40 -7.259 9.313 -8.150 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.437 9.664 -9.452 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.269 9.482 -7.255 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.679 10.206 -9.877 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.511 10.025 -7.681 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.689 10.375 -8.983 1.00 0.00 C ATOM 0 H PHE A 40 -3.763 9.465 -9.171 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.256 10.647 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.552 8.047 -8.457 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.084 8.137 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.634 9.531 -10.162 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.127 9.204 -6.221 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.821 10.484 -10.911 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.314 10.160 -6.971 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.633 10.787 -9.307 1.00 0.00 H new ATOM 640 N VAL A 41 -3.824 9.511 -5.240 1.00 0.00 N ATOM 641 CA VAL A 41 -2.861 8.999 -4.280 1.00 0.00 C ATOM 642 C VAL A 41 -3.492 7.847 -3.496 1.00 0.00 C ATOM 643 O VAL A 41 -4.643 7.937 -3.071 1.00 0.00 O ATOM 644 CB VAL A 41 -2.365 10.133 -3.381 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.138 9.698 -2.576 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.067 11.391 -4.198 1.00 0.00 C ATOM 0 H VAL A 41 -4.522 10.143 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.985 8.602 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.161 10.373 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.806 10.523 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.397 8.844 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.336 9.417 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.716 12.181 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.298 11.170 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.974 11.719 -4.705 1.00 0.00 H new ATOM 656 N MET A 42 -2.710 6.790 -3.328 1.00 0.00 N ATOM 657 CA MET A 42 -3.178 5.621 -2.602 1.00 0.00 C ATOM 658 C MET A 42 -2.163 5.192 -1.542 1.00 0.00 C ATOM 659 O MET A 42 -0.960 5.386 -1.713 1.00 0.00 O ATOM 660 CB MET A 42 -3.410 4.470 -3.583 1.00 0.00 C ATOM 661 CG MET A 42 -4.880 4.045 -3.593 1.00 0.00 C ATOM 662 SD MET A 42 -5.219 2.989 -2.195 1.00 0.00 S ATOM 663 CE MET A 42 -6.982 2.782 -2.383 1.00 0.00 C ATOM 0 H MET A 42 -1.756 6.719 -3.682 1.00 0.00 H new ATOM 0 HA MET A 42 -4.112 5.877 -2.101 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.109 4.776 -4.585 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.784 3.621 -3.308 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.522 4.925 -3.558 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.109 3.520 -4.520 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.253 1.751 -2.158 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.502 3.452 -1.698 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.269 3.017 -3.408 1.00 0.00 H new ATOM 673 N GLN A 43 -2.684 4.616 -0.468 1.00 0.00 N ATOM 674 CA GLN A 43 -1.838 4.157 0.620 1.00 0.00 C ATOM 675 C GLN A 43 -2.092 2.675 0.901 1.00 0.00 C ATOM 676 O GLN A 43 -3.186 2.171 0.654 1.00 0.00 O ATOM 677 CB GLN A 43 -2.059 4.999 1.879 1.00 0.00 C ATOM 678 CG GLN A 43 -0.820 4.980 2.776 1.00 0.00 C ATOM 679 CD GLN A 43 -0.951 5.993 3.915 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.152 6.902 4.068 1.00 0.00 O ATOM 681 NE2 GLN A 43 -2.002 5.785 4.704 1.00 0.00 N ATOM 0 H GLN A 43 -3.682 4.457 -0.329 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.797 4.277 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.293 6.026 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.918 4.616 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.680 3.981 3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.066 5.207 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.632 5.004 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.178 6.406 5.494 1.00 0.00 H new ATOM 690 N VAL A 44 -1.062 2.018 1.415 1.00 0.00 N ATOM 691 CA VAL A 44 -1.160 0.603 1.732 1.00 0.00 C ATOM 692 C VAL A 44 -0.478 0.338 3.076 1.00 0.00 C ATOM 693 O VAL A 44 0.643 0.789 3.307 1.00 0.00 O ATOM 694 CB VAL A 44 -0.576 -0.231 0.590 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.913 0.068 0.399 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.809 -1.724 0.827 1.00 0.00 C ATOM 0 H VAL A 44 -0.156 2.439 1.620 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.204 0.305 1.833 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.094 0.047 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.304 -0.538 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.045 1.124 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.452 -0.169 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.384 -2.294 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.330 -2.024 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.879 -1.920 0.890 1.00 0.00 H new ATOM 706 N LYS A 45 -1.183 -0.393 3.927 1.00 0.00 N ATOM 707 CA LYS A 45 -0.659 -0.723 5.241 1.00 0.00 C ATOM 708 C LYS A 45 -0.611 -2.244 5.399 1.00 0.00 C ATOM 709 O LYS A 45 -1.644 -2.911 5.344 1.00 0.00 O ATOM 710 CB LYS A 45 -1.467 -0.018 6.333 1.00 0.00 C ATOM 711 CG LYS A 45 -0.565 0.409 7.493 1.00 0.00 C ATOM 712 CD LYS A 45 -1.396 0.841 8.703 1.00 0.00 C ATOM 713 CE LYS A 45 -0.938 2.205 9.224 1.00 0.00 C ATOM 714 NZ LYS A 45 -2.009 3.212 9.050 1.00 0.00 N ATOM 0 H LYS A 45 -2.112 -0.766 3.732 1.00 0.00 H new ATOM 0 HA LYS A 45 0.363 -0.358 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.966 0.856 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.247 -0.684 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.089 -0.417 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.077 1.231 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.449 0.888 8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.307 0.097 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.671 2.128 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.042 2.522 8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.682 4.132 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.244 3.298 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.854 2.915 9.579 1.00 0.00 H new ATOM 728 N VAL A 46 0.599 -2.749 5.590 1.00 0.00 N ATOM 729 CA VAL A 46 0.795 -4.180 5.756 1.00 0.00 C ATOM 730 C VAL A 46 1.594 -4.436 7.035 1.00 0.00 C ATOM 731 O VAL A 46 2.782 -4.125 7.102 1.00 0.00 O ATOM 732 CB VAL A 46 1.461 -4.764 4.508 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.291 -6.001 4.859 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.422 -5.088 3.433 1.00 0.00 C ATOM 0 H VAL A 46 1.453 -2.193 5.634 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.164 -4.687 5.865 1.00 0.00 H new ATOM 0 HB VAL A 46 2.137 -4.010 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.754 -6.397 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.067 -5.728 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.644 -6.761 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.922 -5.501 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.290 -5.816 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.108 -4.177 3.153 1.00 0.00 H new ATOM 744 N GLY A 47 0.909 -5.000 8.020 1.00 0.00 N ATOM 745 CA GLY A 47 1.540 -5.301 9.293 1.00 0.00 C ATOM 746 C GLY A 47 2.092 -4.032 9.946 1.00 0.00 C ATOM 747 O GLY A 47 1.333 -3.223 10.477 1.00 0.00 O ATOM 0 H GLY A 47 -0.077 -5.256 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.817 -5.772 9.959 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.348 -6.017 9.142 1.00 0.00 H new ATOM 751 N ASN A 48 3.408 -3.898 9.884 1.00 0.00 N ATOM 752 CA ASN A 48 4.070 -2.741 10.463 1.00 0.00 C ATOM 753 C ASN A 48 4.766 -1.949 9.353 1.00 0.00 C ATOM 754 O ASN A 48 5.729 -1.229 9.611 1.00 0.00 O ATOM 755 CB ASN A 48 5.133 -3.165 11.478 1.00 0.00 C ATOM 756 CG ASN A 48 4.525 -3.325 12.873 1.00 0.00 C ATOM 757 OD1 ASN A 48 3.340 -3.566 13.038 1.00 0.00 O ATOM 758 ND2 ASN A 48 5.399 -3.180 13.865 1.00 0.00 N ATOM 0 H ASN A 48 4.034 -4.571 9.442 1.00 0.00 H new ATOM 0 HA ASN A 48 3.314 -2.136 10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.586 -4.106 11.165 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.930 -2.422 11.508 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.091 -3.270 14.833 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.377 -2.979 13.658 1.00 0.00 H new ATOM 765 N GLU A 49 4.251 -2.110 8.143 1.00 0.00 N ATOM 766 CA GLU A 49 4.811 -1.420 6.994 1.00 0.00 C ATOM 767 C GLU A 49 3.718 -0.642 6.258 1.00 0.00 C ATOM 768 O GLU A 49 2.542 -0.993 6.336 1.00 0.00 O ATOM 769 CB GLU A 49 5.514 -2.401 6.054 1.00 0.00 C ATOM 770 CG GLU A 49 6.964 -2.629 6.484 1.00 0.00 C ATOM 771 CD GLU A 49 7.059 -3.749 7.522 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.067 -3.921 8.263 1.00 0.00 O ATOM 773 OE2 GLU A 49 8.121 -4.408 7.550 1.00 0.00 O ATOM 0 H GLU A 49 3.452 -2.708 7.934 1.00 0.00 H new ATOM 0 HA GLU A 49 5.558 -0.710 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.979 -3.351 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.490 -2.015 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.569 -2.883 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.373 -1.708 6.899 1.00 0.00 H new ATOM 780 N VAL A 50 4.146 0.399 5.559 1.00 0.00 N ATOM 781 CA VAL A 50 3.218 1.229 4.809 1.00 0.00 C ATOM 782 C VAL A 50 3.843 1.595 3.461 1.00 0.00 C ATOM 783 O VAL A 50 5.065 1.652 3.335 1.00 0.00 O ATOM 784 CB VAL A 50 2.824 2.453 5.638 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.601 3.693 5.188 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.315 2.698 5.572 1.00 0.00 C ATOM 0 H VAL A 50 5.123 0.687 5.496 1.00 0.00 H new ATOM 0 HA VAL A 50 2.297 0.683 4.603 1.00 0.00 H new ATOM 0 HB VAL A 50 3.085 2.252 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.302 4.549 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.670 3.517 5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.385 3.897 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.062 3.574 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.019 2.867 4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.788 1.828 5.962 1.00 0.00 H new ATOM 796 N ALA A 51 2.976 1.835 2.489 1.00 0.00 N ATOM 797 CA ALA A 51 3.427 2.194 1.155 1.00 0.00 C ATOM 798 C ALA A 51 2.397 3.120 0.505 1.00 0.00 C ATOM 799 O ALA A 51 1.293 3.285 1.021 1.00 0.00 O ATOM 800 CB ALA A 51 3.667 0.923 0.338 1.00 0.00 C ATOM 0 H ALA A 51 1.963 1.788 2.598 1.00 0.00 H new ATOM 0 HA ALA A 51 4.372 2.734 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.005 1.192 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.428 0.314 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.739 0.356 0.267 1.00 0.00 H new ATOM 806 N THR A 52 2.795 3.699 -0.618 1.00 0.00 N ATOM 807 CA THR A 52 1.920 4.604 -1.344 1.00 0.00 C ATOM 808 C THR A 52 1.984 4.317 -2.846 1.00 0.00 C ATOM 809 O THR A 52 2.970 3.767 -3.335 1.00 0.00 O ATOM 810 CB THR A 52 2.316 6.036 -0.982 1.00 0.00 C ATOM 811 OG1 THR A 52 3.737 5.991 -0.888 1.00 0.00 O ATOM 812 CG2 THR A 52 1.862 6.431 0.425 1.00 0.00 C ATOM 0 H THR A 52 3.712 3.559 -1.043 1.00 0.00 H new ATOM 0 HA THR A 52 0.877 4.458 -1.061 1.00 0.00 H new ATOM 0 HB THR A 52 1.887 6.725 -1.709 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.078 6.881 -0.658 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.168 7.456 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.777 6.356 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.317 5.762 1.155 1.00 0.00 H new ATOM 820 N GLY A 53 0.920 4.702 -3.535 1.00 0.00 N ATOM 821 CA GLY A 53 0.843 4.494 -4.971 1.00 0.00 C ATOM 822 C GLY A 53 0.140 5.666 -5.659 1.00 0.00 C ATOM 823 O GLY A 53 -0.665 6.360 -5.040 1.00 0.00 O ATOM 0 H GLY A 53 0.104 5.157 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.847 4.377 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.305 3.569 -5.180 1.00 0.00 H new ATOM 827 N THR A 54 0.471 5.850 -6.928 1.00 0.00 N ATOM 828 CA THR A 54 -0.119 6.926 -7.707 1.00 0.00 C ATOM 829 C THR A 54 -0.270 6.505 -9.170 1.00 0.00 C ATOM 830 O THR A 54 0.559 5.763 -9.695 1.00 0.00 O ATOM 831 CB THR A 54 0.746 8.174 -7.519 1.00 0.00 C ATOM 832 OG1 THR A 54 2.028 7.783 -8.001 1.00 0.00 O ATOM 833 CG2 THR A 54 0.987 8.504 -6.044 1.00 0.00 C ATOM 0 H THR A 54 1.140 5.272 -7.437 1.00 0.00 H new ATOM 0 HA THR A 54 -1.127 7.157 -7.363 1.00 0.00 H new ATOM 0 HB THR A 54 0.268 9.023 -8.007 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.652 8.534 -7.918 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.606 9.398 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.032 8.681 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.495 7.668 -5.563 1.00 0.00 H new ATOM 841 N GLY A 55 -1.334 6.998 -9.787 1.00 0.00 N ATOM 842 CA GLY A 55 -1.604 6.683 -11.180 1.00 0.00 C ATOM 843 C GLY A 55 -2.601 7.673 -11.783 1.00 0.00 C ATOM 844 O GLY A 55 -2.878 8.717 -11.194 1.00 0.00 O ATOM 0 H GLY A 55 -2.019 7.613 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.674 6.706 -11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.000 5.670 -11.257 1.00 0.00 H new ATOM 848 N PRO A 56 -3.129 7.301 -12.980 1.00 0.00 N ATOM 849 CA PRO A 56 -4.090 8.145 -13.669 1.00 0.00 C ATOM 850 C PRO A 56 -5.464 8.069 -13.001 1.00 0.00 C ATOM 851 O PRO A 56 -6.271 8.989 -13.126 1.00 0.00 O ATOM 852 CB PRO A 56 -4.098 7.642 -15.104 1.00 0.00 C ATOM 853 CG PRO A 56 -3.495 6.247 -15.059 1.00 0.00 C ATOM 854 CD PRO A 56 -2.824 6.072 -13.707 1.00 0.00 C ATOM 0 HA PRO A 56 -3.824 9.201 -13.633 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.112 7.617 -15.504 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.516 8.298 -15.751 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.268 5.492 -15.202 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.771 6.118 -15.864 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.209 5.197 -13.184 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.748 5.932 -13.814 1.00 0.00 H new ATOM 862 N ASN A 57 -5.689 6.963 -12.308 1.00 0.00 N ATOM 863 CA ASN A 57 -6.952 6.754 -11.620 1.00 0.00 C ATOM 864 C ASN A 57 -6.687 6.101 -10.262 1.00 0.00 C ATOM 865 O ASN A 57 -5.578 5.638 -9.998 1.00 0.00 O ATOM 866 CB ASN A 57 -7.868 5.827 -12.420 1.00 0.00 C ATOM 867 CG ASN A 57 -7.320 4.398 -12.441 1.00 0.00 C ATOM 868 OD1 ASN A 57 -7.023 3.805 -11.417 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.203 3.881 -13.660 1.00 0.00 N ATOM 0 H ASN A 57 -5.018 6.201 -12.208 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.435 7.724 -11.501 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.867 5.831 -11.983 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.965 6.198 -13.440 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.846 2.933 -13.780 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.470 4.432 -14.476 1.00 0.00 H new ATOM 876 N LYS A 58 -7.723 6.083 -9.437 1.00 0.00 N ATOM 877 CA LYS A 58 -7.616 5.494 -8.113 1.00 0.00 C ATOM 878 C LYS A 58 -7.168 4.037 -8.243 1.00 0.00 C ATOM 879 O LYS A 58 -6.224 3.612 -7.579 1.00 0.00 O ATOM 880 CB LYS A 58 -8.926 5.668 -7.342 1.00 0.00 C ATOM 881 CG LYS A 58 -8.668 6.238 -5.945 1.00 0.00 C ATOM 882 CD LYS A 58 -9.827 7.129 -5.494 1.00 0.00 C ATOM 883 CE LYS A 58 -10.905 6.309 -4.784 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.148 7.100 -4.640 1.00 0.00 N ATOM 0 H LYS A 58 -8.641 6.467 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.857 6.011 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.591 6.333 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.434 4.707 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.534 5.422 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.742 6.813 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.455 7.904 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.259 7.634 -6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.109 5.399 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.547 6.001 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.869 6.528 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.952 7.955 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.497 7.373 -5.581 1.00 0.00 H new ATOM 898 N LYS A 59 -7.867 3.310 -9.103 1.00 0.00 N ATOM 899 CA LYS A 59 -7.553 1.910 -9.328 1.00 0.00 C ATOM 900 C LYS A 59 -6.034 1.733 -9.373 1.00 0.00 C ATOM 901 O LYS A 59 -5.433 1.258 -8.410 1.00 0.00 O ATOM 902 CB LYS A 59 -8.269 1.395 -10.579 1.00 0.00 C ATOM 903 CG LYS A 59 -9.528 0.609 -10.206 1.00 0.00 C ATOM 904 CD LYS A 59 -10.565 1.518 -9.543 1.00 0.00 C ATOM 905 CE LYS A 59 -10.686 1.213 -8.048 1.00 0.00 C ATOM 906 NZ LYS A 59 -11.131 2.415 -7.308 1.00 0.00 N ATOM 0 H LYS A 59 -8.650 3.665 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.921 1.300 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.537 2.234 -11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.595 0.758 -11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.956 0.155 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.266 -0.204 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.282 2.561 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.533 1.383 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.395 0.400 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.725 0.875 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.420 2.664 -6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.247 3.208 -7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.039 2.219 -6.841 1.00 0.00 H new ATOM 920 N ILE A 60 -5.458 2.124 -10.500 1.00 0.00 N ATOM 921 CA ILE A 60 -4.020 2.014 -10.682 1.00 0.00 C ATOM 922 C ILE A 60 -3.311 2.518 -9.423 1.00 0.00 C ATOM 923 O ILE A 60 -2.438 1.840 -8.885 1.00 0.00 O ATOM 924 CB ILE A 60 -3.586 2.732 -11.961 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.224 2.088 -13.194 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.061 2.787 -12.069 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.272 3.073 -14.364 1.00 0.00 C ATOM 0 H ILE A 60 -5.960 2.517 -11.296 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.731 0.971 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.943 3.761 -11.913 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.656 1.203 -13.482 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.233 1.754 -12.953 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.780 3.303 -12.987 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.655 3.324 -11.212 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.661 1.773 -12.085 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.730 2.590 -15.227 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.861 3.945 -14.081 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.259 3.386 -14.618 1.00 0.00 H new ATOM 939 N ALA A 61 -3.713 3.704 -8.991 1.00 0.00 N ATOM 940 CA ALA A 61 -3.127 4.307 -7.806 1.00 0.00 C ATOM 941 C ALA A 61 -3.025 3.254 -6.701 1.00 0.00 C ATOM 942 O ALA A 61 -2.090 3.278 -5.901 1.00 0.00 O ATOM 943 CB ALA A 61 -3.962 5.518 -7.383 1.00 0.00 C ATOM 0 H ALA A 61 -4.438 4.264 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.119 4.664 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.522 5.970 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.979 6.249 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.980 5.198 -7.162 1.00 0.00 H new ATOM 949 N LYS A 62 -3.998 2.356 -6.692 1.00 0.00 N ATOM 950 CA LYS A 62 -4.029 1.296 -5.698 1.00 0.00 C ATOM 951 C LYS A 62 -2.980 0.240 -6.052 1.00 0.00 C ATOM 952 O LYS A 62 -2.249 -0.229 -5.181 1.00 0.00 O ATOM 953 CB LYS A 62 -5.445 0.734 -5.559 1.00 0.00 C ATOM 954 CG LYS A 62 -5.587 -0.084 -4.273 1.00 0.00 C ATOM 955 CD LYS A 62 -5.873 -1.554 -4.587 1.00 0.00 C ATOM 956 CE LYS A 62 -7.304 -1.737 -5.095 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.360 -1.552 -6.563 1.00 0.00 N ATOM 0 H LYS A 62 -4.771 2.340 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.768 1.688 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.166 1.552 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.678 0.108 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.673 -0.005 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.394 0.325 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.168 -1.913 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.721 -2.157 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.665 -2.732 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.964 -1.020 -4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.846 -0.659 -6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.394 -1.524 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.880 -2.343 -6.993 1.00 0.00 H new ATOM 971 N LYS A 63 -2.940 -0.103 -7.331 1.00 0.00 N ATOM 972 CA LYS A 63 -1.993 -1.095 -7.810 1.00 0.00 C ATOM 973 C LYS A 63 -0.568 -0.602 -7.549 1.00 0.00 C ATOM 974 O LYS A 63 0.297 -1.377 -7.144 1.00 0.00 O ATOM 975 CB LYS A 63 -2.267 -1.433 -9.277 1.00 0.00 C ATOM 976 CG LYS A 63 -3.362 -2.494 -9.400 1.00 0.00 C ATOM 977 CD LYS A 63 -4.365 -2.123 -10.494 1.00 0.00 C ATOM 978 CE LYS A 63 -5.632 -1.512 -9.893 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.824 -2.292 -10.292 1.00 0.00 N ATOM 0 H LYS A 63 -3.548 0.288 -8.050 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.113 -2.030 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.567 -0.532 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.352 -1.793 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.913 -3.461 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.880 -2.599 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.909 -1.415 -11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.624 -3.011 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.552 -1.490 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.738 -0.479 -10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.675 -1.863 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.908 -2.291 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.728 -3.271 -9.953 1.00 0.00 H new ATOM 993 N ASN A 64 -0.368 0.686 -7.790 1.00 0.00 N ATOM 994 CA ASN A 64 0.936 1.291 -7.586 1.00 0.00 C ATOM 995 C ASN A 64 1.303 1.215 -6.102 1.00 0.00 C ATOM 996 O ASN A 64 2.478 1.111 -5.754 1.00 0.00 O ATOM 997 CB ASN A 64 0.929 2.765 -7.995 1.00 0.00 C ATOM 998 CG ASN A 64 1.563 2.954 -9.375 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.758 3.157 -9.516 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.698 2.876 -10.382 1.00 0.00 N ATOM 0 H ASN A 64 -1.088 1.327 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 64 1.658 0.750 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.095 3.138 -8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.474 3.354 -7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.022 2.988 -11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.290 2.704 -10.194 1.00 0.00 H new ATOM 1007 N ALA A 65 0.275 1.269 -5.268 1.00 0.00 N ATOM 1008 CA ALA A 65 0.474 1.206 -3.830 1.00 0.00 C ATOM 1009 C ALA A 65 1.115 -0.134 -3.466 1.00 0.00 C ATOM 1010 O ALA A 65 2.179 -0.170 -2.850 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.863 1.425 -3.119 1.00 0.00 C ATOM 0 H ALA A 65 -0.698 1.356 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 65 1.151 1.995 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.714 1.378 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.262 2.403 -3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.567 0.650 -3.422 1.00 0.00 H new ATOM 1017 N ALA A 66 0.440 -1.203 -3.861 1.00 0.00 N ATOM 1018 CA ALA A 66 0.931 -2.543 -3.584 1.00 0.00 C ATOM 1019 C ALA A 66 2.338 -2.696 -4.164 1.00 0.00 C ATOM 1020 O ALA A 66 3.207 -3.304 -3.542 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.049 -3.573 -4.150 1.00 0.00 C ATOM 0 H ALA A 66 -0.443 -1.169 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 66 0.998 -2.713 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.319 -4.578 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.025 -3.441 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.140 -3.435 -5.227 1.00 0.00 H new ATOM 1027 N GLU A 67 2.519 -2.135 -5.351 1.00 0.00 N ATOM 1028 CA GLU A 67 3.806 -2.201 -6.022 1.00 0.00 C ATOM 1029 C GLU A 67 4.910 -1.671 -5.106 1.00 0.00 C ATOM 1030 O GLU A 67 5.893 -2.364 -4.848 1.00 0.00 O ATOM 1031 CB GLU A 67 3.774 -1.433 -7.345 1.00 0.00 C ATOM 1032 CG GLU A 67 4.823 -1.975 -8.319 1.00 0.00 C ATOM 1033 CD GLU A 67 4.712 -1.288 -9.681 1.00 0.00 C ATOM 1034 OE1 GLU A 67 4.605 -0.043 -9.682 1.00 0.00 O ATOM 1035 OE2 GLU A 67 4.737 -2.024 -10.691 1.00 0.00 O ATOM 0 H GLU A 67 1.795 -1.633 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 67 4.022 -3.245 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.783 -1.512 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.957 -0.375 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.821 -1.819 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.693 -3.051 -8.438 1.00 0.00 H new ATOM 1042 N ALA A 68 4.712 -0.447 -4.640 1.00 0.00 N ATOM 1043 CA ALA A 68 5.679 0.184 -3.758 1.00 0.00 C ATOM 1044 C ALA A 68 5.941 -0.729 -2.559 1.00 0.00 C ATOM 1045 O ALA A 68 7.091 -0.955 -2.185 1.00 0.00 O ATOM 1046 CB ALA A 68 5.165 1.563 -3.339 1.00 0.00 C ATOM 0 H ALA A 68 3.896 0.125 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 68 6.628 0.333 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.891 2.036 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.023 2.183 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.215 1.454 -2.816 1.00 0.00 H new ATOM 1052 N MET A 69 4.855 -1.230 -1.989 1.00 0.00 N ATOM 1053 CA MET A 69 4.953 -2.114 -0.839 1.00 0.00 C ATOM 1054 C MET A 69 5.848 -3.317 -1.147 1.00 0.00 C ATOM 1055 O MET A 69 6.715 -3.671 -0.350 1.00 0.00 O ATOM 1056 CB MET A 69 3.557 -2.603 -0.450 1.00 0.00 C ATOM 1057 CG MET A 69 3.631 -3.638 0.674 1.00 0.00 C ATOM 1058 SD MET A 69 4.511 -2.959 2.071 1.00 0.00 S ATOM 1059 CE MET A 69 3.159 -2.188 2.944 1.00 0.00 C ATOM 0 H MET A 69 3.903 -1.041 -2.302 1.00 0.00 H new ATOM 0 HA MET A 69 5.396 -1.557 -0.013 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.948 -1.757 -0.131 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.066 -3.040 -1.319 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.626 -3.933 0.975 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.134 -4.537 0.319 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.281 -2.346 4.016 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.153 -1.119 2.733 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.217 -2.628 2.617 1.00 0.00 H new ATOM 1069 N LEU A 70 5.606 -3.912 -2.306 1.00 0.00 N ATOM 1070 CA LEU A 70 6.379 -5.067 -2.729 1.00 0.00 C ATOM 1071 C LEU A 70 7.795 -4.621 -3.101 1.00 0.00 C ATOM 1072 O LEU A 70 8.745 -5.392 -2.978 1.00 0.00 O ATOM 1073 CB LEU A 70 5.656 -5.814 -3.852 1.00 0.00 C ATOM 1074 CG LEU A 70 4.208 -6.217 -3.565 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.292 -5.836 -4.730 1.00 0.00 C ATOM 1076 CD2 LEU A 70 4.110 -7.705 -3.222 1.00 0.00 C ATOM 0 H LEU A 70 4.886 -3.616 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 70 6.474 -5.781 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.668 -5.188 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.223 -6.715 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 70 3.866 -5.662 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.269 -6.133 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.330 -4.758 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.624 -6.345 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.070 -7.965 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.477 -8.297 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.712 -7.915 -2.338 1.00 0.00 H new ATOM 1088 N LEU A 71 7.890 -3.377 -3.547 1.00 0.00 N ATOM 1089 CA LEU A 71 9.174 -2.818 -3.937 1.00 0.00 C ATOM 1090 C LEU A 71 9.999 -2.523 -2.683 1.00 0.00 C ATOM 1091 O LEU A 71 11.205 -2.765 -2.658 1.00 0.00 O ATOM 1092 CB LEU A 71 8.975 -1.601 -4.843 1.00 0.00 C ATOM 1093 CG LEU A 71 9.039 -1.868 -6.348 1.00 0.00 C ATOM 1094 CD1 LEU A 71 7.967 -1.069 -7.092 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.441 -1.594 -6.895 1.00 0.00 C ATOM 0 H LEU A 71 7.099 -2.740 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 71 9.739 -3.538 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.006 -1.157 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.733 -0.859 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 71 8.829 -2.924 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.034 -1.277 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.981 -1.356 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.122 -0.004 -6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.458 -1.792 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.705 -0.552 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.160 -2.243 -6.395 1.00 0.00 H new ATOM 1107 N GLN A 72 9.316 -2.006 -1.672 1.00 0.00 N ATOM 1108 CA GLN A 72 9.971 -1.675 -0.418 1.00 0.00 C ATOM 1109 C GLN A 72 10.305 -2.951 0.358 1.00 0.00 C ATOM 1110 O GLN A 72 11.363 -3.044 0.979 1.00 0.00 O ATOM 1111 CB GLN A 72 9.105 -0.734 0.421 1.00 0.00 C ATOM 1112 CG GLN A 72 8.645 -1.416 1.711 1.00 0.00 C ATOM 1113 CD GLN A 72 7.859 -0.445 2.595 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.408 0.263 3.423 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.548 -0.453 2.374 1.00 0.00 N ATOM 0 H GLN A 72 8.316 -1.808 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 72 10.902 -1.155 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.669 0.167 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.237 -0.420 -0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.023 -2.278 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.511 -1.791 2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.154 -1.071 1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.936 0.159 2.914 1.00 0.00 H new ATOM 1124 N LEU A 73 9.384 -3.901 0.297 1.00 0.00 N ATOM 1125 CA LEU A 73 9.569 -5.167 0.986 1.00 0.00 C ATOM 1126 C LEU A 73 10.817 -5.863 0.441 1.00 0.00 C ATOM 1127 O LEU A 73 11.635 -6.368 1.208 1.00 0.00 O ATOM 1128 CB LEU A 73 8.300 -6.017 0.893 1.00 0.00 C ATOM 1129 CG LEU A 73 7.374 -5.976 2.110 1.00 0.00 C ATOM 1130 CD1 LEU A 73 7.223 -4.547 2.636 1.00 0.00 C ATOM 1131 CD2 LEU A 73 6.020 -6.614 1.791 1.00 0.00 C ATOM 0 H LEU A 73 8.508 -3.820 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 73 9.737 -5.001 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.734 -5.694 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.592 -7.052 0.719 1.00 0.00 H new ATOM 0 HG LEU A 73 7.829 -6.566 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.560 -4.546 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.200 -4.161 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.801 -3.914 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.381 -6.572 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.546 -6.072 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.167 -7.654 1.499 1.00 0.00 H new ATOM 1143 N GLY A 74 10.924 -5.867 -0.880 1.00 0.00 N ATOM 1144 CA GLY A 74 12.059 -6.493 -1.537 1.00 0.00 C ATOM 1145 C GLY A 74 11.607 -7.657 -2.420 1.00 0.00 C ATOM 1146 O GLY A 74 12.343 -8.626 -2.601 1.00 0.00 O ATOM 0 H GLY A 74 10.243 -5.447 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.585 -5.755 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.765 -6.853 -0.788 1.00 0.00 H new ATOM 1150 N TYR A 75 10.399 -7.524 -2.948 1.00 0.00 N ATOM 1151 CA TYR A 75 9.841 -8.553 -3.808 1.00 0.00 C ATOM 1152 C TYR A 75 9.837 -8.103 -5.270 1.00 0.00 C ATOM 1153 O TYR A 75 9.840 -8.932 -6.179 1.00 0.00 O ATOM 1154 CB TYR A 75 8.396 -8.753 -3.345 1.00 0.00 C ATOM 1155 CG TYR A 75 8.269 -9.393 -1.961 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.515 -10.742 -1.800 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.909 -8.623 -0.874 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.395 -11.345 -0.498 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.790 -9.226 0.428 1.00 0.00 C ATOM 1160 CZ TYR A 75 8.039 -10.558 0.552 1.00 0.00 C ATOM 1161 OH TYR A 75 7.926 -11.127 1.782 1.00 0.00 O ATOM 0 H TYR A 75 9.791 -6.719 -2.797 1.00 0.00 H new ATOM 0 HA TYR A 75 10.431 -9.467 -3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.892 -7.787 -3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 75 7.875 -9.377 -4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.797 -11.345 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.716 -7.568 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.584 -12.399 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.509 -8.634 1.287 1.00 0.00 H new ATOM 0 HH TYR A 75 8.432 -10.599 2.434 1.00 0.00 H new