USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 73 MET CE :methyl -115:sc= -0.147 (180deg=-0.259) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 154:sc= 0.358 (180deg=0) USER MOD Set 2.2: A 38 HIS : no HD1:sc= -0.806 K(o=-0.45,f=-2.1) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0.975 (180deg=0.864) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 174:sc= -0.046 (180deg=-0.12) USER MOD Single : A 48 THR OG1 : rot -84:sc= 0.0657 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.00073) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 173:sc= -2.08 (180deg=-2.26) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.899 K(o=0.9,f=-0.28) USER MOD Single : A 72 HIS : no HD1:sc= 0.0799 K(o=0.08,f=-1.1) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.099 USER MOD Single : A 88 GLN : amide:sc= 0.0946 X(o=0.095,f=-0.28) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.142 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= -0.0158 (180deg=-0.0158) USER MOD Single : A 104 LYS NZ :NH3+ 161:sc= 1.18 (180deg=0.919) USER MOD Single : A 105 ASN : amide:sc= 0.54 K(o=0.54,f=-3.8) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 11.942 6.891 5.677 1.00 0.00 N ATOM 69 CA VAL A 27 12.477 7.342 4.376 1.00 0.00 C ATOM 70 C VAL A 27 14.001 7.525 4.392 1.00 0.00 C ATOM 71 O VAL A 27 14.555 8.028 5.372 1.00 0.00 O ATOM 72 CB VAL A 27 11.788 8.656 3.922 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.558 9.646 5.075 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.582 9.377 2.817 1.00 0.00 C ATOM 0 HA VAL A 27 12.254 6.551 3.660 1.00 0.00 H new ATOM 0 HB VAL A 27 10.820 8.339 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.073 10.544 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.922 9.184 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.516 9.913 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.061 10.291 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.576 9.627 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.672 8.724 1.949 1.00 0.00 H new ATOM 84 N ARG A 28 14.660 7.253 3.254 1.00 0.00 N ATOM 85 CA ARG A 28 16.063 7.596 2.982 1.00 0.00 C ATOM 86 C ARG A 28 16.251 7.832 1.464 1.00 0.00 C ATOM 87 O ARG A 28 16.057 6.877 0.709 1.00 0.00 O ATOM 88 CB ARG A 28 16.969 6.414 3.427 1.00 0.00 C ATOM 89 CG ARG A 28 17.073 6.069 4.927 1.00 0.00 C ATOM 90 CD ARG A 28 17.979 6.993 5.751 1.00 0.00 C ATOM 91 NE ARG A 28 17.544 8.402 5.693 1.00 0.00 N ATOM 92 CZ ARG A 28 18.276 9.435 5.312 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.544 9.367 5.042 1.00 0.00 N ATOM 94 NH2 ARG A 28 17.761 10.609 5.133 1.00 0.00 N ATOM 0 H ARG A 28 14.215 6.772 2.473 1.00 0.00 H new ATOM 0 HA ARG A 28 16.332 8.500 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.621 5.521 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.977 6.620 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.072 6.090 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.440 5.047 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.986 6.660 6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.003 6.916 5.384 1.00 0.00 H new ATOM 0 HE ARG A 28 16.584 8.598 5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.035 8.476 5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.049 10.204 4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.764 10.757 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.353 11.386 4.839 1.00 0.00 H new ATOM 108 N PRO A 29 16.573 9.055 0.989 1.00 0.00 N ATOM 109 CA PRO A 29 16.823 9.345 -0.429 1.00 0.00 C ATOM 110 C PRO A 29 18.318 9.260 -0.817 1.00 0.00 C ATOM 111 O PRO A 29 19.182 9.016 0.028 1.00 0.00 O ATOM 112 CB PRO A 29 16.242 10.751 -0.626 1.00 0.00 C ATOM 113 CG PRO A 29 16.629 11.432 0.682 1.00 0.00 C ATOM 114 CD PRO A 29 16.485 10.316 1.719 1.00 0.00 C ATOM 0 HA PRO A 29 16.358 8.606 -1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.672 11.254 -1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.162 10.731 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.647 11.819 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.975 12.275 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.270 10.383 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.533 10.395 2.243 1.00 0.00 H new ATOM 122 N LYS A 30 18.620 9.512 -2.103 1.00 0.00 N ATOM 123 CA LYS A 30 19.986 9.692 -2.650 1.00 0.00 C ATOM 124 C LYS A 30 20.198 11.148 -3.081 1.00 0.00 C ATOM 125 O LYS A 30 19.253 11.784 -3.540 1.00 0.00 O ATOM 126 CB LYS A 30 20.226 8.659 -3.765 1.00 0.00 C ATOM 127 CG LYS A 30 21.713 8.305 -3.927 1.00 0.00 C ATOM 128 CD LYS A 30 21.971 7.105 -4.849 1.00 0.00 C ATOM 129 CE LYS A 30 21.763 7.484 -6.319 1.00 0.00 C ATOM 130 NZ LYS A 30 21.970 6.315 -7.224 1.00 0.00 N ATOM 0 H LYS A 30 17.898 9.600 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 30 20.739 9.503 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.662 7.753 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.844 9.051 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.242 9.173 -4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.135 8.093 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.989 6.743 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.301 6.287 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.755 7.876 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.454 8.282 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.006 6.642 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.865 5.843 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.183 5.644 -7.110 1.00 0.00 H new ATOM 144 N LEU A 31 21.417 11.679 -2.967 1.00 0.00 N ATOM 145 CA LEU A 31 21.721 13.117 -3.125 1.00 0.00 C ATOM 146 C LEU A 31 21.192 13.778 -4.416 1.00 0.00 C ATOM 147 O LEU A 31 20.480 14.775 -4.296 1.00 0.00 O ATOM 148 CB LEU A 31 23.229 13.335 -2.865 1.00 0.00 C ATOM 149 CG LEU A 31 23.683 14.806 -2.715 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.012 14.852 -1.957 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.915 15.520 -4.052 1.00 0.00 C ATOM 0 H LEU A 31 22.242 11.117 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 31 21.148 13.658 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.503 12.796 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.788 12.884 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 31 22.875 15.313 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.334 15.888 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.883 14.408 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.766 14.293 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.231 16.546 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.689 14.998 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.989 15.524 -4.628 1.00 0.00 H new ATOM 163 N PRO A 32 21.431 13.253 -5.635 1.00 0.00 N ATOM 164 CA PRO A 32 20.931 13.884 -6.863 1.00 0.00 C ATOM 165 C PRO A 32 19.401 13.819 -7.036 1.00 0.00 C ATOM 166 O PRO A 32 18.867 14.512 -7.900 1.00 0.00 O ATOM 167 CB PRO A 32 21.685 13.194 -8.004 1.00 0.00 C ATOM 168 CG PRO A 32 22.000 11.813 -7.434 1.00 0.00 C ATOM 169 CD PRO A 32 22.289 12.122 -5.970 1.00 0.00 C ATOM 0 HA PRO A 32 21.117 14.958 -6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.076 13.127 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.593 13.735 -8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.161 11.126 -7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.856 11.355 -7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.070 11.262 -5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.340 12.369 -5.821 1.00 0.00 H new ATOM 177 N LEU A 33 18.687 13.045 -6.204 1.00 0.00 N ATOM 178 CA LEU A 33 17.219 13.018 -6.129 1.00 0.00 C ATOM 179 C LEU A 33 16.726 13.931 -4.995 1.00 0.00 C ATOM 180 O LEU A 33 15.830 14.739 -5.216 1.00 0.00 O ATOM 181 CB LEU A 33 16.752 11.545 -6.057 1.00 0.00 C ATOM 182 CG LEU A 33 15.242 11.245 -6.207 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.493 11.427 -4.888 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.542 12.092 -7.270 1.00 0.00 C ATOM 0 H LEU A 33 19.128 12.402 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 33 16.759 13.434 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.280 10.991 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.078 11.140 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 33 15.208 10.203 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.436 11.207 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.903 10.749 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.605 12.456 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.487 11.822 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.636 13.147 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.003 11.912 -8.241 1.00 0.00 H new ATOM 196 N LEU A 34 17.372 13.907 -3.821 1.00 0.00 N ATOM 197 CA LEU A 34 17.163 14.879 -2.731 1.00 0.00 C ATOM 198 C LEU A 34 17.238 16.324 -3.250 1.00 0.00 C ATOM 199 O LEU A 34 16.379 17.141 -2.936 1.00 0.00 O ATOM 200 CB LEU A 34 18.222 14.628 -1.645 1.00 0.00 C ATOM 201 CG LEU A 34 18.171 15.561 -0.418 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.923 16.876 -0.613 1.00 0.00 C ATOM 203 CD2 LEU A 34 16.758 15.845 0.068 1.00 0.00 C ATOM 0 H LEU A 34 18.069 13.198 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 34 16.166 14.745 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.121 13.600 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.208 14.715 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 34 18.688 14.994 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.842 17.479 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.973 16.668 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.491 17.421 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.797 16.507 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.188 16.322 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.275 14.909 0.349 1.00 0.00 H new ATOM 215 N LYS A 35 18.223 16.646 -4.093 1.00 0.00 N ATOM 216 CA LYS A 35 18.356 17.988 -4.691 1.00 0.00 C ATOM 217 C LYS A 35 17.141 18.401 -5.535 1.00 0.00 C ATOM 218 O LYS A 35 16.773 19.571 -5.490 1.00 0.00 O ATOM 219 CB LYS A 35 19.680 18.083 -5.467 1.00 0.00 C ATOM 220 CG LYS A 35 20.938 18.164 -4.575 1.00 0.00 C ATOM 221 CD LYS A 35 21.121 19.493 -3.810 1.00 0.00 C ATOM 222 CE LYS A 35 20.512 19.489 -2.395 1.00 0.00 C ATOM 223 NZ LYS A 35 20.684 20.802 -1.710 1.00 0.00 N ATOM 0 H LYS A 35 18.950 15.991 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 35 18.381 18.714 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.768 17.214 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.648 18.963 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.903 17.349 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.817 17.999 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.186 19.714 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.668 20.299 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.451 19.249 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.981 18.705 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.932 20.925 -1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.611 20.829 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.629 21.569 -2.410 1.00 0.00 H new ATOM 237 N ILE A 36 16.444 17.463 -6.190 1.00 0.00 N ATOM 238 CA ILE A 36 15.143 17.732 -6.839 1.00 0.00 C ATOM 239 C ILE A 36 14.104 18.124 -5.784 1.00 0.00 C ATOM 240 O ILE A 36 13.363 19.084 -5.965 1.00 0.00 O ATOM 241 CB ILE A 36 14.626 16.524 -7.650 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.691 15.925 -8.584 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.376 16.910 -8.461 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.436 16.912 -9.485 1.00 0.00 C ATOM 0 H ILE A 36 16.760 16.498 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 36 15.298 18.554 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 36 14.369 15.755 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.425 15.399 -7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.210 15.180 -9.217 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.027 16.045 -9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.590 17.241 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.624 17.717 -9.150 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.159 16.372 -10.096 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.723 17.423 -10.133 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.957 17.645 -8.869 1.00 0.00 H new ATOM 256 N LEU A 37 14.081 17.406 -4.657 1.00 0.00 N ATOM 257 CA LEU A 37 13.113 17.590 -3.574 1.00 0.00 C ATOM 258 C LEU A 37 13.294 18.937 -2.859 1.00 0.00 C ATOM 259 O LEU A 37 12.332 19.694 -2.727 1.00 0.00 O ATOM 260 CB LEU A 37 13.112 16.348 -2.657 1.00 0.00 C ATOM 261 CG LEU A 37 12.790 15.038 -3.414 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.891 13.822 -2.504 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.386 15.032 -4.002 1.00 0.00 C ATOM 0 H LEU A 37 14.753 16.662 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 37 12.107 17.659 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.087 16.255 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.380 16.491 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 37 13.529 14.988 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.658 12.922 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.903 13.748 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.184 13.924 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.213 14.090 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.655 15.143 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.282 15.859 -4.705 1.00 0.00 H new ATOM 275 N HIS A 38 14.528 19.309 -2.504 1.00 0.00 N ATOM 276 CA HIS A 38 14.842 20.660 -2.008 1.00 0.00 C ATOM 277 C HIS A 38 14.482 21.739 -3.050 1.00 0.00 C ATOM 278 O HIS A 38 13.807 22.712 -2.717 1.00 0.00 O ATOM 279 CB HIS A 38 16.345 20.780 -1.708 1.00 0.00 C ATOM 280 CG HIS A 38 16.829 20.169 -0.419 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.085 20.419 0.141 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.143 19.313 0.394 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.125 19.718 1.286 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.978 19.036 1.455 1.00 0.00 N ATOM 0 H HIS A 38 15.336 18.688 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 38 14.254 20.815 -1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.894 20.320 -2.530 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.607 21.838 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.146 18.930 0.237 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.959 19.704 1.973 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.762 18.418 2.237 1.00 0.00 H new ATOM 292 N ALA A 39 14.890 21.573 -4.319 1.00 0.00 N ATOM 293 CA ALA A 39 14.667 22.573 -5.375 1.00 0.00 C ATOM 294 C ALA A 39 13.177 22.766 -5.727 1.00 0.00 C ATOM 295 O ALA A 39 12.759 23.875 -6.066 1.00 0.00 O ATOM 296 CB ALA A 39 15.485 22.180 -6.609 1.00 0.00 C ATOM 0 H ALA A 39 15.384 20.741 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 39 15.001 23.540 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.328 22.914 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.543 22.148 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.167 21.198 -6.958 1.00 0.00 H new ATOM 302 N ALA A 40 12.361 21.716 -5.582 1.00 0.00 N ATOM 303 CA ALA A 40 10.897 21.786 -5.670 1.00 0.00 C ATOM 304 C ALA A 40 10.229 22.592 -4.530 1.00 0.00 C ATOM 305 O ALA A 40 9.034 22.889 -4.610 1.00 0.00 O ATOM 306 CB ALA A 40 10.350 20.356 -5.703 1.00 0.00 C ATOM 0 H ALA A 40 12.706 20.774 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 40 10.652 22.329 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.262 20.384 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.752 19.832 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.645 19.832 -4.794 1.00 0.00 H new ATOM 312 N GLY A 41 10.982 22.946 -3.480 1.00 0.00 N ATOM 313 CA GLY A 41 10.545 23.784 -2.356 1.00 0.00 C ATOM 314 C GLY A 41 10.829 23.202 -0.964 1.00 0.00 C ATOM 315 O GLY A 41 10.536 23.869 0.032 1.00 0.00 O ATOM 0 H GLY A 41 11.952 22.644 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.035 24.755 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.473 23.959 -2.448 1.00 0.00 H new ATOM 319 N ALA A 42 11.374 21.981 -0.866 1.00 0.00 N ATOM 320 CA ALA A 42 11.610 21.304 0.409 1.00 0.00 C ATOM 321 C ALA A 42 12.949 21.682 1.094 1.00 0.00 C ATOM 322 O ALA A 42 13.670 22.598 0.692 1.00 0.00 O ATOM 323 CB ALA A 42 11.432 19.792 0.201 1.00 0.00 C ATOM 0 H ALA A 42 11.664 21.435 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 42 10.867 21.655 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.605 19.272 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.418 19.589 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.146 19.441 -0.543 1.00 0.00 H new ATOM 329 N GLN A 43 13.245 20.945 2.164 1.00 0.00 N ATOM 330 CA GLN A 43 14.357 21.085 3.119 1.00 0.00 C ATOM 331 C GLN A 43 14.363 19.862 4.068 1.00 0.00 C ATOM 332 O GLN A 43 13.300 19.436 4.525 1.00 0.00 O ATOM 333 CB GLN A 43 14.177 22.385 3.933 1.00 0.00 C ATOM 334 CG GLN A 43 15.364 22.690 4.863 1.00 0.00 C ATOM 335 CD GLN A 43 15.173 24.012 5.607 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.752 24.057 6.757 1.00 0.00 O ATOM 337 NE2 GLN A 43 15.458 25.141 4.988 1.00 0.00 N ATOM 0 H GLN A 43 12.654 20.152 2.414 1.00 0.00 H new ATOM 0 HA GLN A 43 15.305 21.132 2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.039 23.220 3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.268 22.309 4.529 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.480 21.880 5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.283 22.731 4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.809 25.123 4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.327 26.032 5.467 1.00 0.00 H new ATOM 346 N GLY A 44 15.546 19.310 4.379 1.00 0.00 N ATOM 347 CA GLY A 44 15.723 18.070 5.158 1.00 0.00 C ATOM 348 C GLY A 44 15.376 16.811 4.352 1.00 0.00 C ATOM 349 O GLY A 44 14.277 16.686 3.828 1.00 0.00 O ATOM 0 H GLY A 44 16.432 19.724 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.756 18.005 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.095 18.112 6.048 1.00 0.00 H new ATOM 353 N GLU A 45 16.311 15.866 4.217 1.00 0.00 N ATOM 354 CA GLU A 45 16.241 14.704 3.320 1.00 0.00 C ATOM 355 C GLU A 45 15.384 13.540 3.838 1.00 0.00 C ATOM 356 O GLU A 45 15.810 12.385 3.864 1.00 0.00 O ATOM 357 CB GLU A 45 17.671 14.315 2.909 1.00 0.00 C ATOM 358 CG GLU A 45 18.571 13.927 4.092 1.00 0.00 C ATOM 359 CD GLU A 45 19.818 13.145 3.646 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.686 13.709 2.938 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.931 11.955 4.033 1.00 0.00 O ATOM 0 H GLU A 45 17.178 15.889 4.754 1.00 0.00 H new ATOM 0 HA GLU A 45 15.690 14.994 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.624 13.479 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.126 15.150 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.880 14.828 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.000 13.324 4.797 1.00 0.00 H new ATOM 368 N MET A 46 14.160 13.842 4.264 1.00 0.00 N ATOM 369 CA MET A 46 13.205 12.857 4.769 1.00 0.00 C ATOM 370 C MET A 46 11.756 13.233 4.370 1.00 0.00 C ATOM 371 O MET A 46 11.127 14.091 4.988 1.00 0.00 O ATOM 372 CB MET A 46 13.341 12.780 6.300 1.00 0.00 C ATOM 373 CG MET A 46 14.556 11.953 6.740 1.00 0.00 C ATOM 374 SD MET A 46 14.499 11.373 8.457 1.00 0.00 S ATOM 375 CE MET A 46 13.254 10.060 8.294 1.00 0.00 C ATOM 0 H MET A 46 13.797 14.795 4.268 1.00 0.00 H new ATOM 0 HA MET A 46 13.423 11.884 4.329 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.426 13.788 6.705 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.436 12.342 6.721 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.647 11.089 6.082 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.455 12.554 6.604 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.169 9.520 9.237 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.290 10.502 8.041 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.555 9.369 7.506 1.00 0.00 H new ATOM 385 N PHE A 47 11.221 12.555 3.347 1.00 0.00 N ATOM 386 CA PHE A 47 9.838 12.663 2.825 1.00 0.00 C ATOM 387 C PHE A 47 9.373 11.320 2.220 1.00 0.00 C ATOM 388 O PHE A 47 10.080 10.740 1.403 1.00 0.00 O ATOM 389 CB PHE A 47 9.718 13.784 1.763 1.00 0.00 C ATOM 390 CG PHE A 47 10.989 14.540 1.435 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.083 13.852 0.879 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.102 15.906 1.747 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.305 14.510 0.686 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.312 16.575 1.508 1.00 0.00 C ATOM 395 CZ PHE A 47 13.409 15.882 0.976 1.00 0.00 C ATOM 0 H PHE A 47 11.770 11.872 2.824 1.00 0.00 H new ATOM 0 HA PHE A 47 9.194 12.917 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.336 13.343 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.973 14.501 2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.981 12.814 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.262 16.438 2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.162 13.966 0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.399 17.627 1.735 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.336 16.403 0.789 1.00 0.00 H new ATOM 405 N THR A 48 8.193 10.812 2.582 1.00 0.00 N ATOM 406 CA THR A 48 7.688 9.492 2.114 1.00 0.00 C ATOM 407 C THR A 48 7.265 9.542 0.639 1.00 0.00 C ATOM 408 O THR A 48 7.162 10.627 0.079 1.00 0.00 O ATOM 409 CB THR A 48 6.564 8.970 3.040 1.00 0.00 C ATOM 410 OG1 THR A 48 5.891 10.045 3.662 1.00 0.00 O ATOM 411 CG2 THR A 48 7.144 8.119 4.172 1.00 0.00 C ATOM 0 H THR A 48 7.549 11.295 3.209 1.00 0.00 H new ATOM 0 HA THR A 48 8.506 8.774 2.173 1.00 0.00 H new ATOM 0 HB THR A 48 5.888 8.387 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.385 10.321 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.335 7.763 4.810 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.676 7.266 3.750 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.834 8.721 4.763 1.00 0.00 H new ATOM 419 N VAL A 49 7.000 8.412 -0.038 1.00 0.00 N ATOM 420 CA VAL A 49 6.750 8.407 -1.511 1.00 0.00 C ATOM 421 C VAL A 49 5.613 9.342 -1.939 1.00 0.00 C ATOM 422 O VAL A 49 5.712 10.014 -2.961 1.00 0.00 O ATOM 423 CB VAL A 49 6.539 6.980 -2.057 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.263 6.293 -1.558 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.569 6.925 -3.588 1.00 0.00 C ATOM 0 H VAL A 49 6.951 7.491 0.397 1.00 0.00 H new ATOM 0 HA VAL A 49 7.659 8.806 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 49 7.388 6.426 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.194 5.295 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.293 6.216 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.394 6.879 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.416 5.898 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.778 7.558 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.535 7.281 -3.946 1.00 0.00 H new ATOM 435 N LYS A 50 4.586 9.471 -1.094 1.00 0.00 N ATOM 436 CA LYS A 50 3.469 10.419 -1.252 1.00 0.00 C ATOM 437 C LYS A 50 3.944 11.881 -1.348 1.00 0.00 C ATOM 438 O LYS A 50 3.445 12.649 -2.168 1.00 0.00 O ATOM 439 CB LYS A 50 2.517 10.234 -0.058 1.00 0.00 C ATOM 440 CG LYS A 50 1.833 8.853 -0.053 1.00 0.00 C ATOM 441 CD LYS A 50 0.973 8.607 1.197 1.00 0.00 C ATOM 442 CE LYS A 50 1.816 8.492 2.480 1.00 0.00 C ATOM 443 NZ LYS A 50 0.975 8.107 3.649 1.00 0.00 N ATOM 0 H LYS A 50 4.503 8.902 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 50 2.957 10.207 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.075 10.362 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.755 11.013 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.207 8.762 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.595 8.077 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.258 9.422 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.396 7.692 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.602 7.751 2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.308 9.444 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.572 8.038 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.240 8.827 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.526 7.187 3.466 1.00 0.00 H new ATOM 457 N GLU A 51 4.959 12.234 -0.560 1.00 0.00 N ATOM 458 CA GLU A 51 5.642 13.535 -0.573 1.00 0.00 C ATOM 459 C GLU A 51 6.620 13.647 -1.753 1.00 0.00 C ATOM 460 O GLU A 51 6.582 14.637 -2.478 1.00 0.00 O ATOM 461 CB GLU A 51 6.371 13.746 0.766 1.00 0.00 C ATOM 462 CG GLU A 51 5.459 13.747 2.001 1.00 0.00 C ATOM 463 CD GLU A 51 4.385 14.851 1.932 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.711 16.037 2.181 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.205 14.541 1.638 1.00 0.00 O ATOM 0 H GLU A 51 5.347 11.597 0.136 1.00 0.00 H new ATOM 0 HA GLU A 51 4.894 14.318 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.119 12.962 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.907 14.694 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.973 12.775 2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.064 13.887 2.897 1.00 0.00 H new ATOM 472 N VAL A 52 7.448 12.622 -2.003 1.00 0.00 N ATOM 473 CA VAL A 52 8.402 12.577 -3.136 1.00 0.00 C ATOM 474 C VAL A 52 7.687 12.829 -4.465 1.00 0.00 C ATOM 475 O VAL A 52 8.103 13.694 -5.235 1.00 0.00 O ATOM 476 CB VAL A 52 9.155 11.228 -3.186 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.073 11.066 -4.405 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.028 11.041 -1.941 1.00 0.00 C ATOM 0 H VAL A 52 7.479 11.786 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 52 9.132 13.370 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 52 8.365 10.479 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.564 10.093 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.481 11.136 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.827 11.853 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.547 10.084 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.759 11.848 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.400 11.058 -1.050 1.00 0.00 H new ATOM 488 N MET A 53 6.578 12.128 -4.719 1.00 0.00 N ATOM 489 CA MET A 53 5.798 12.294 -5.947 1.00 0.00 C ATOM 490 C MET A 53 5.159 13.683 -6.026 1.00 0.00 C ATOM 491 O MET A 53 5.264 14.333 -7.063 1.00 0.00 O ATOM 492 CB MET A 53 4.756 11.171 -6.075 1.00 0.00 C ATOM 493 CG MET A 53 5.403 9.792 -6.261 1.00 0.00 C ATOM 494 SD MET A 53 6.650 9.639 -7.574 1.00 0.00 S ATOM 495 CE MET A 53 5.637 9.907 -9.052 1.00 0.00 C ATOM 0 H MET A 53 6.197 11.431 -4.080 1.00 0.00 H new ATOM 0 HA MET A 53 6.477 12.217 -6.796 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.129 11.158 -5.184 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.102 11.380 -6.922 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.867 9.505 -5.317 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.611 9.070 -6.459 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.265 9.843 -9.940 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.858 9.146 -9.102 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.177 10.894 -9.004 1.00 0.00 H new ATOM 505 N HIS A 54 4.588 14.196 -4.932 1.00 0.00 N ATOM 506 CA HIS A 54 4.059 15.569 -4.876 1.00 0.00 C ATOM 507 C HIS A 54 5.125 16.615 -5.236 1.00 0.00 C ATOM 508 O HIS A 54 4.890 17.496 -6.064 1.00 0.00 O ATOM 509 CB HIS A 54 3.484 15.837 -3.478 1.00 0.00 C ATOM 510 CG HIS A 54 2.831 17.191 -3.328 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.927 17.767 -4.226 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.015 18.045 -2.279 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.589 18.957 -3.697 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.227 19.148 -2.529 1.00 0.00 N ATOM 0 H HIS A 54 4.478 13.676 -4.061 1.00 0.00 H new ATOM 0 HA HIS A 54 3.268 15.659 -5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.751 15.065 -3.244 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.285 15.749 -2.744 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.653 17.887 -1.422 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.903 19.659 -4.147 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.142 19.969 -1.930 1.00 0.00 H new ATOM 522 N TYR A 55 6.332 16.502 -4.681 1.00 0.00 N ATOM 523 CA TYR A 55 7.458 17.371 -5.044 1.00 0.00 C ATOM 524 C TYR A 55 7.895 17.209 -6.509 1.00 0.00 C ATOM 525 O TYR A 55 8.150 18.219 -7.160 1.00 0.00 O ATOM 526 CB TYR A 55 8.616 17.171 -4.060 1.00 0.00 C ATOM 527 CG TYR A 55 8.390 17.802 -2.694 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.196 19.196 -2.585 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.374 17.006 -1.532 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.957 19.785 -1.328 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.142 17.591 -0.272 1.00 0.00 C ATOM 532 CZ TYR A 55 7.927 18.981 -0.166 1.00 0.00 C ATOM 533 OH TYR A 55 7.704 19.540 1.057 1.00 0.00 O ATOM 0 H TYR A 55 6.559 15.808 -3.969 1.00 0.00 H new ATOM 0 HA TYR A 55 7.118 18.404 -4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.787 16.102 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.524 17.589 -4.495 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.231 19.814 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.540 15.942 -1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.797 20.850 -1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.129 16.974 0.614 1.00 0.00 H new ATOM 0 HH TYR A 55 7.716 18.841 1.743 1.00 0.00 H new ATOM 543 N LEU A 56 7.900 15.996 -7.073 1.00 0.00 N ATOM 544 CA LEU A 56 8.226 15.767 -8.490 1.00 0.00 C ATOM 545 C LEU A 56 7.191 16.397 -9.430 1.00 0.00 C ATOM 546 O LEU A 56 7.568 17.055 -10.396 1.00 0.00 O ATOM 547 CB LEU A 56 8.373 14.259 -8.788 1.00 0.00 C ATOM 548 CG LEU A 56 9.837 13.795 -8.867 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.544 13.845 -7.517 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.891 12.360 -9.382 1.00 0.00 C ATOM 0 H LEU A 56 7.678 15.142 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 56 9.182 16.256 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.860 13.691 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.876 14.032 -9.731 1.00 0.00 H new ATOM 0 HG LEU A 56 10.349 14.480 -9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.574 13.507 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.538 14.868 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.026 13.196 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.929 12.032 -9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.341 11.709 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.442 12.312 -10.374 1.00 0.00 H new ATOM 562 N GLY A 57 5.898 16.245 -9.139 1.00 0.00 N ATOM 563 CA GLY A 57 4.823 16.824 -9.947 1.00 0.00 C ATOM 564 C GLY A 57 4.882 18.352 -9.976 1.00 0.00 C ATOM 565 O GLY A 57 4.869 18.963 -11.049 1.00 0.00 O ATOM 0 H GLY A 57 5.566 15.715 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.889 16.440 -10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.860 16.507 -9.548 1.00 0.00 H new ATOM 569 N GLN A 58 5.076 18.967 -8.802 1.00 0.00 N ATOM 570 CA GLN A 58 5.290 20.419 -8.685 1.00 0.00 C ATOM 571 C GLN A 58 6.520 20.851 -9.466 1.00 0.00 C ATOM 572 O GLN A 58 6.446 21.774 -10.263 1.00 0.00 O ATOM 573 CB GLN A 58 5.491 20.829 -7.221 1.00 0.00 C ATOM 574 CG GLN A 58 4.207 20.666 -6.417 1.00 0.00 C ATOM 575 CD GLN A 58 4.474 20.834 -4.926 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.097 19.852 -4.316 1.00 0.00 O flip ATOM 577 NE2 GLN A 58 4.161 21.843 -4.307 1.00 0.00 N flip ATOM 0 H GLN A 58 5.089 18.476 -7.908 1.00 0.00 H new ATOM 0 HA GLN A 58 4.402 20.905 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.280 20.222 -6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.822 21.866 -7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.472 21.402 -6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.778 19.682 -6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.677 22.604 -4.783 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.384 21.922 -3.315 1.00 0.00 H new ATOM 586 N TYR A 59 7.634 20.154 -9.274 1.00 0.00 N ATOM 587 CA TYR A 59 8.900 20.437 -9.964 1.00 0.00 C ATOM 588 C TYR A 59 8.763 20.390 -11.493 1.00 0.00 C ATOM 589 O TYR A 59 9.206 21.310 -12.176 1.00 0.00 O ATOM 590 CB TYR A 59 9.960 19.455 -9.473 1.00 0.00 C ATOM 591 CG TYR A 59 11.362 19.711 -9.995 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.236 20.555 -9.282 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.797 19.102 -11.190 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.545 20.779 -9.749 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.107 19.325 -11.660 1.00 0.00 C ATOM 596 CZ TYR A 59 13.988 20.157 -10.937 1.00 0.00 C ATOM 597 OH TYR A 59 15.259 20.359 -11.385 1.00 0.00 O ATOM 0 H TYR A 59 7.691 19.366 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 59 9.201 21.457 -9.724 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.983 19.483 -8.384 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.660 18.447 -9.759 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.900 21.032 -8.373 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.126 18.464 -11.746 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.211 21.427 -9.198 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.437 18.858 -12.576 1.00 0.00 H new ATOM 0 HH TYR A 59 15.397 19.856 -12.214 1.00 0.00 H new ATOM 607 N ILE A 60 8.075 19.379 -12.033 1.00 0.00 N ATOM 608 CA ILE A 60 7.777 19.248 -13.469 1.00 0.00 C ATOM 609 C ILE A 60 6.925 20.435 -13.951 1.00 0.00 C ATOM 610 O ILE A 60 7.281 21.077 -14.945 1.00 0.00 O ATOM 611 CB ILE A 60 7.149 17.851 -13.728 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.237 16.760 -13.561 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.489 17.692 -15.112 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.675 15.342 -13.404 1.00 0.00 C ATOM 0 H ILE A 60 7.701 18.611 -11.475 1.00 0.00 H new ATOM 0 HA ILE A 60 8.688 19.295 -14.066 1.00 0.00 H new ATOM 0 HB ILE A 60 6.350 17.742 -12.994 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.898 16.784 -14.427 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.846 16.998 -12.689 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.078 16.687 -15.206 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.688 18.423 -15.219 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.234 17.853 -15.891 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.497 14.635 -13.292 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.037 15.299 -12.521 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.091 15.082 -14.287 1.00 0.00 H new ATOM 626 N MET A 61 5.872 20.807 -13.213 1.00 0.00 N ATOM 627 CA MET A 61 5.058 21.996 -13.527 1.00 0.00 C ATOM 628 C MET A 61 5.829 23.324 -13.394 1.00 0.00 C ATOM 629 O MET A 61 5.612 24.234 -14.194 1.00 0.00 O ATOM 630 CB MET A 61 3.801 22.028 -12.641 1.00 0.00 C ATOM 631 CG MET A 61 2.813 20.876 -12.878 1.00 0.00 C ATOM 632 SD MET A 61 2.038 20.803 -14.519 1.00 0.00 S ATOM 633 CE MET A 61 3.145 19.637 -15.357 1.00 0.00 C ATOM 0 H MET A 61 5.559 20.299 -12.386 1.00 0.00 H new ATOM 0 HA MET A 61 4.776 21.905 -14.576 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.110 22.013 -11.596 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.282 22.972 -12.806 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.336 19.936 -12.705 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.023 20.944 -12.130 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.737 19.388 -16.337 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.128 20.092 -15.478 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.236 18.729 -14.761 1.00 0.00 H new ATOM 643 N VAL A 62 6.749 23.448 -12.428 1.00 0.00 N ATOM 644 CA VAL A 62 7.500 24.675 -12.127 1.00 0.00 C ATOM 645 C VAL A 62 8.642 24.904 -13.117 1.00 0.00 C ATOM 646 O VAL A 62 8.821 26.020 -13.608 1.00 0.00 O ATOM 647 CB VAL A 62 7.984 24.589 -10.663 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.175 25.477 -10.325 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.836 24.945 -9.712 1.00 0.00 C ATOM 0 H VAL A 62 6.999 22.672 -11.815 1.00 0.00 H new ATOM 0 HA VAL A 62 6.854 25.546 -12.239 1.00 0.00 H new ATOM 0 HB VAL A 62 8.316 23.558 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.440 25.347 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.024 25.201 -10.951 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.914 26.520 -10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.185 24.882 -8.681 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.494 25.959 -9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.012 24.247 -9.859 1.00 0.00 H new ATOM 659 N LYS A 63 9.384 23.842 -13.449 1.00 0.00 N ATOM 660 CA LYS A 63 10.462 23.855 -14.449 1.00 0.00 C ATOM 661 C LYS A 63 9.953 23.637 -15.887 1.00 0.00 C ATOM 662 O LYS A 63 10.705 23.880 -16.830 1.00 0.00 O ATOM 663 CB LYS A 63 11.567 22.865 -14.023 1.00 0.00 C ATOM 664 CG LYS A 63 12.257 23.185 -12.685 1.00 0.00 C ATOM 665 CD LYS A 63 13.002 24.529 -12.688 1.00 0.00 C ATOM 666 CE LYS A 63 13.812 24.690 -11.394 1.00 0.00 C ATOM 667 NZ LYS A 63 14.576 25.969 -11.381 1.00 0.00 N ATOM 0 H LYS A 63 9.250 22.926 -13.020 1.00 0.00 H new ATOM 0 HA LYS A 63 10.900 24.853 -14.478 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.133 21.867 -13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.325 22.834 -14.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.509 23.195 -11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.962 22.388 -12.449 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.666 24.583 -13.550 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.289 25.348 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.139 24.658 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.502 23.852 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.111 26.045 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.235 25.988 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.915 26.769 -11.456 1.00 0.00 H new ATOM 681 N GLN A 64 8.675 23.264 -16.066 1.00 0.00 N ATOM 682 CA GLN A 64 7.971 23.185 -17.360 1.00 0.00 C ATOM 683 C GLN A 64 8.474 22.045 -18.256 1.00 0.00 C ATOM 684 O GLN A 64 8.818 22.213 -19.427 1.00 0.00 O ATOM 685 CB GLN A 64 7.847 24.559 -18.047 1.00 0.00 C ATOM 686 CG GLN A 64 7.240 25.597 -17.092 1.00 0.00 C ATOM 687 CD GLN A 64 6.963 26.958 -17.737 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.220 27.213 -18.908 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.423 27.899 -16.989 1.00 0.00 N ATOM 0 H GLN A 64 8.079 22.998 -15.282 1.00 0.00 H new ATOM 0 HA GLN A 64 6.942 22.898 -17.144 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.830 24.895 -18.378 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.224 24.470 -18.937 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.307 25.202 -16.689 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.917 25.738 -16.249 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.201 27.709 -16.012 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.227 28.817 -17.387 1.00 0.00 H new ATOM 698 N LEU A 65 8.487 20.852 -17.658 1.00 0.00 N ATOM 699 CA LEU A 65 8.946 19.580 -18.227 1.00 0.00 C ATOM 700 C LEU A 65 7.786 18.807 -18.884 1.00 0.00 C ATOM 701 O LEU A 65 7.716 17.590 -18.766 1.00 0.00 O ATOM 702 CB LEU A 65 9.629 18.780 -17.093 1.00 0.00 C ATOM 703 CG LEU A 65 11.085 19.141 -16.756 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.347 20.625 -16.583 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.457 18.437 -15.448 1.00 0.00 C ATOM 0 H LEU A 65 8.156 20.740 -16.700 1.00 0.00 H new ATOM 0 HA LEU A 65 9.665 19.755 -19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.033 18.901 -16.188 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.596 17.723 -17.358 1.00 0.00 H new ATOM 0 HG LEU A 65 11.688 18.819 -17.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.399 20.784 -16.347 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.099 21.148 -17.506 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.731 21.011 -15.771 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.487 18.677 -15.186 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.792 18.773 -14.652 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.356 17.359 -15.574 1.00 0.00 H new ATOM 717 N TYR A 66 6.823 19.476 -19.516 1.00 0.00 N ATOM 718 CA TYR A 66 5.599 18.840 -20.033 1.00 0.00 C ATOM 719 C TYR A 66 5.075 19.497 -21.329 1.00 0.00 C ATOM 720 O TYR A 66 5.489 20.603 -21.685 1.00 0.00 O ATOM 721 CB TYR A 66 4.526 18.875 -18.929 1.00 0.00 C ATOM 722 CG TYR A 66 3.983 20.259 -18.599 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.707 21.140 -17.769 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.726 20.651 -19.096 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.179 22.409 -17.447 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.199 21.919 -18.788 1.00 0.00 C ATOM 727 CZ TYR A 66 2.924 22.803 -17.962 1.00 0.00 C ATOM 728 OH TYR A 66 2.401 24.026 -17.663 1.00 0.00 O ATOM 0 H TYR A 66 6.864 20.481 -19.688 1.00 0.00 H new ATOM 0 HA TYR A 66 5.839 17.811 -20.301 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.695 18.238 -19.232 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.946 18.441 -18.022 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.669 20.843 -17.378 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.161 19.973 -19.719 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.734 23.079 -16.807 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.239 22.215 -19.184 1.00 0.00 H new ATOM 0 HH TYR A 66 1.532 24.127 -18.104 1.00 0.00 H new ATOM 738 N ASP A 67 4.148 18.832 -22.030 1.00 0.00 N ATOM 739 CA ASP A 67 3.431 19.400 -23.187 1.00 0.00 C ATOM 740 C ASP A 67 2.130 20.104 -22.764 1.00 0.00 C ATOM 741 O ASP A 67 1.355 19.563 -21.976 1.00 0.00 O ATOM 742 CB ASP A 67 3.116 18.304 -24.209 1.00 0.00 C ATOM 743 CG ASP A 67 2.497 18.901 -25.480 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.258 19.079 -25.510 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.252 19.232 -26.425 1.00 0.00 O ATOM 0 H ASP A 67 3.869 17.876 -21.811 1.00 0.00 H new ATOM 0 HA ASP A 67 4.085 20.145 -23.641 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.029 17.765 -24.463 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.429 17.580 -23.771 1.00 0.00 H new ATOM 750 N GLN A 68 1.843 21.289 -23.315 1.00 0.00 N ATOM 751 CA GLN A 68 0.690 22.095 -22.903 1.00 0.00 C ATOM 752 C GLN A 68 -0.691 21.499 -23.238 1.00 0.00 C ATOM 753 O GLN A 68 -1.680 21.884 -22.611 1.00 0.00 O ATOM 754 CB GLN A 68 0.853 23.518 -23.462 1.00 0.00 C ATOM 755 CG GLN A 68 0.678 23.613 -24.989 1.00 0.00 C ATOM 756 CD GLN A 68 0.855 25.045 -25.492 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.934 25.468 -25.890 1.00 0.00 O ATOM 758 NE2 GLN A 68 -0.186 25.853 -25.485 1.00 0.00 N ATOM 0 H GLN A 68 2.401 21.714 -24.056 1.00 0.00 H new ATOM 0 HA GLN A 68 0.695 22.109 -21.813 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.125 24.172 -22.981 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.842 23.891 -23.196 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.403 22.963 -25.479 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.312 23.251 -25.265 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.091 25.516 -25.157 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.087 26.815 -25.808 1.00 0.00 H new ATOM 767 N GLN A 69 -0.771 20.560 -24.185 1.00 0.00 N ATOM 768 CA GLN A 69 -1.990 19.824 -24.544 1.00 0.00 C ATOM 769 C GLN A 69 -1.958 18.382 -24.011 1.00 0.00 C ATOM 770 O GLN A 69 -2.995 17.847 -23.615 1.00 0.00 O ATOM 771 CB GLN A 69 -2.161 19.888 -26.072 1.00 0.00 C ATOM 772 CG GLN A 69 -3.510 19.337 -26.567 1.00 0.00 C ATOM 773 CD GLN A 69 -3.441 17.905 -27.103 1.00 0.00 C ATOM 774 OE1 GLN A 69 -3.216 17.664 -28.283 1.00 0.00 O ATOM 775 NE2 GLN A 69 -3.642 16.900 -26.276 1.00 0.00 N ATOM 0 H GLN A 69 0.037 20.281 -24.742 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.857 20.287 -24.073 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.060 20.924 -26.397 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.354 19.326 -26.543 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.228 19.373 -25.747 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.891 19.990 -27.353 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.831 17.081 -25.290 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.609 15.941 -26.621 1.00 0.00 H new ATOM 784 N GLU A 70 -0.779 17.763 -23.951 1.00 0.00 N ATOM 785 CA GLU A 70 -0.547 16.435 -23.359 1.00 0.00 C ATOM 786 C GLU A 70 0.073 16.575 -21.960 1.00 0.00 C ATOM 787 O GLU A 70 1.192 16.138 -21.702 1.00 0.00 O ATOM 788 CB GLU A 70 0.242 15.517 -24.314 1.00 0.00 C ATOM 789 CG GLU A 70 -0.537 15.215 -25.600 1.00 0.00 C ATOM 790 CD GLU A 70 0.178 14.137 -26.436 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.100 12.929 -26.237 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.009 14.485 -27.311 1.00 0.00 O ATOM 0 H GLU A 70 0.073 18.182 -24.324 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.504 15.933 -23.219 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.191 15.989 -24.568 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.477 14.582 -23.805 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.543 14.879 -25.350 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.643 16.126 -26.188 1.00 0.00 H new ATOM 799 N GLN A 71 -0.660 17.211 -21.038 1.00 0.00 N ATOM 800 CA GLN A 71 -0.151 17.568 -19.702 1.00 0.00 C ATOM 801 C GLN A 71 0.138 16.337 -18.816 1.00 0.00 C ATOM 802 O GLN A 71 0.944 16.412 -17.888 1.00 0.00 O ATOM 803 CB GLN A 71 -1.128 18.539 -19.016 1.00 0.00 C ATOM 804 CG GLN A 71 -1.308 19.845 -19.817 1.00 0.00 C ATOM 805 CD GLN A 71 -2.245 20.863 -19.164 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.661 20.757 -18.016 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.616 21.904 -19.882 1.00 0.00 N ATOM 0 H GLN A 71 -1.627 17.495 -21.195 1.00 0.00 H new ATOM 0 HA GLN A 71 0.810 18.063 -19.839 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.096 18.053 -18.894 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.762 18.775 -18.017 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.331 20.307 -19.959 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.691 19.600 -20.807 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.280 22.009 -20.839 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.239 22.605 -19.480 1.00 0.00 H new ATOM 816 N HIS A 72 -0.464 15.189 -19.148 1.00 0.00 N ATOM 817 CA HIS A 72 -0.199 13.862 -18.576 1.00 0.00 C ATOM 818 C HIS A 72 1.126 13.233 -19.052 1.00 0.00 C ATOM 819 O HIS A 72 1.541 12.197 -18.525 1.00 0.00 O ATOM 820 CB HIS A 72 -1.378 12.959 -18.964 1.00 0.00 C ATOM 821 CG HIS A 72 -1.527 12.788 -20.460 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.191 13.672 -21.319 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.982 11.780 -21.200 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.053 13.156 -22.553 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.323 12.027 -22.512 1.00 0.00 N ATOM 0 H HIS A 72 -1.190 15.159 -19.863 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.098 13.968 -17.496 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.245 11.980 -18.504 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.299 13.379 -18.559 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.398 10.951 -20.830 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.470 13.588 -23.451 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.066 11.452 -23.314 1.00 0.00 H new ATOM 833 N MET A 73 1.771 13.832 -20.056 1.00 0.00 N ATOM 834 CA MET A 73 3.025 13.403 -20.671 1.00 0.00 C ATOM 835 C MET A 73 4.166 14.356 -20.279 1.00 0.00 C ATOM 836 O MET A 73 4.031 15.581 -20.341 1.00 0.00 O ATOM 837 CB MET A 73 2.835 13.327 -22.196 1.00 0.00 C ATOM 838 CG MET A 73 4.017 12.704 -22.908 1.00 0.00 C ATOM 839 SD MET A 73 4.220 10.950 -22.552 1.00 0.00 S ATOM 840 CE MET A 73 5.909 10.891 -23.139 1.00 0.00 C ATOM 0 H MET A 73 1.407 14.682 -20.486 1.00 0.00 H new ATOM 0 HA MET A 73 3.300 12.412 -20.309 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.938 12.748 -22.417 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.670 14.331 -22.587 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.896 12.838 -23.983 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.925 13.233 -22.621 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.967 10.247 -24.017 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.238 11.896 -23.404 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.553 10.494 -22.355 1.00 0.00 H new ATOM 850 N VAL A 74 5.306 13.791 -19.882 1.00 0.00 N ATOM 851 CA VAL A 74 6.483 14.516 -19.398 1.00 0.00 C ATOM 852 C VAL A 74 7.534 14.527 -20.504 1.00 0.00 C ATOM 853 O VAL A 74 7.785 13.510 -21.149 1.00 0.00 O ATOM 854 CB VAL A 74 7.001 13.908 -18.076 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.176 14.696 -17.482 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.884 13.908 -17.021 1.00 0.00 C ATOM 0 H VAL A 74 5.441 12.780 -19.888 1.00 0.00 H new ATOM 0 HA VAL A 74 6.225 15.549 -19.164 1.00 0.00 H new ATOM 0 HB VAL A 74 7.331 12.898 -18.319 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.499 14.224 -16.554 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.003 14.706 -18.191 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.861 15.719 -17.278 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.260 13.477 -16.093 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.555 14.931 -16.839 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.043 13.315 -17.381 1.00 0.00 H new ATOM 866 N TYR A 75 8.139 15.692 -20.713 1.00 0.00 N ATOM 867 CA TYR A 75 9.128 16.012 -21.739 1.00 0.00 C ATOM 868 C TYR A 75 10.297 16.777 -21.113 1.00 0.00 C ATOM 869 O TYR A 75 10.566 17.946 -21.387 1.00 0.00 O ATOM 870 CB TYR A 75 8.454 16.749 -22.903 1.00 0.00 C ATOM 871 CG TYR A 75 7.679 15.801 -23.788 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.368 14.746 -24.413 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.291 15.943 -23.964 1.00 0.00 C ATOM 874 CE1 TYR A 75 7.675 13.832 -25.223 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.595 15.043 -24.795 1.00 0.00 C ATOM 876 CZ TYR A 75 6.285 13.986 -25.430 1.00 0.00 C ATOM 877 OH TYR A 75 5.605 13.121 -26.234 1.00 0.00 O ATOM 0 H TYR A 75 7.935 16.500 -20.124 1.00 0.00 H new ATOM 0 HA TYR A 75 9.551 15.100 -22.161 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.782 17.512 -22.511 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.211 17.264 -23.495 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.433 14.639 -24.270 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.760 16.739 -23.464 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.203 13.012 -25.687 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.532 15.161 -24.947 1.00 0.00 H new ATOM 0 HH TYR A 75 4.659 13.375 -26.262 1.00 0.00 H new ATOM 887 N CYS A 76 11.004 16.065 -20.243 1.00 0.00 N ATOM 888 CA CYS A 76 12.240 16.479 -19.566 1.00 0.00 C ATOM 889 C CYS A 76 13.502 16.312 -20.451 1.00 0.00 C ATOM 890 O CYS A 76 14.568 15.929 -19.966 1.00 0.00 O ATOM 891 CB CYS A 76 12.298 15.792 -18.184 1.00 0.00 C ATOM 892 SG CYS A 76 11.987 14.003 -18.271 1.00 0.00 S ATOM 0 H CYS A 76 10.717 15.125 -19.971 1.00 0.00 H new ATOM 0 HA CYS A 76 12.227 17.555 -19.390 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.278 15.964 -17.739 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.563 16.252 -17.524 1.00 0.00 H new ATOM 0 HG CYS A 76 12.053 13.492 -17.077 1.00 0.00 H new ATOM 898 N GLY A 77 13.373 16.652 -21.745 1.00 0.00 N ATOM 899 CA GLY A 77 14.305 16.409 -22.865 1.00 0.00 C ATOM 900 C GLY A 77 15.797 16.680 -22.629 1.00 0.00 C ATOM 901 O GLY A 77 16.641 15.994 -23.209 1.00 0.00 O ATOM 0 H GLY A 77 12.541 17.148 -22.064 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.198 15.368 -23.169 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.983 17.022 -23.707 1.00 0.00 H new ATOM 905 N GLY A 78 16.125 17.644 -21.766 1.00 0.00 N ATOM 906 CA GLY A 78 17.496 17.952 -21.338 1.00 0.00 C ATOM 907 C GLY A 78 17.605 18.325 -19.857 1.00 0.00 C ATOM 908 O GLY A 78 18.541 19.031 -19.476 1.00 0.00 O ATOM 0 H GLY A 78 15.428 18.249 -21.333 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.132 17.089 -21.535 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.880 18.775 -21.941 1.00 0.00 H new ATOM 912 N ASP A 79 16.639 17.917 -19.023 1.00 0.00 N ATOM 913 CA ASP A 79 16.584 18.328 -17.612 1.00 0.00 C ATOM 914 C ASP A 79 17.347 17.379 -16.681 1.00 0.00 C ATOM 915 O ASP A 79 17.375 16.168 -16.898 1.00 0.00 O ATOM 916 CB ASP A 79 15.133 18.486 -17.151 1.00 0.00 C ATOM 917 CG ASP A 79 15.098 19.276 -15.834 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.159 20.528 -15.884 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.081 18.628 -14.764 1.00 0.00 O ATOM 0 H ASP A 79 15.879 17.298 -19.304 1.00 0.00 H new ATOM 0 HA ASP A 79 17.085 19.294 -17.550 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.552 19.004 -17.914 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.675 17.506 -17.012 1.00 0.00 H new ATOM 924 N LEU A 80 17.901 17.924 -15.594 1.00 0.00 N ATOM 925 CA LEU A 80 18.606 17.168 -14.559 1.00 0.00 C ATOM 926 C LEU A 80 17.736 16.055 -13.943 1.00 0.00 C ATOM 927 O LEU A 80 18.253 14.967 -13.701 1.00 0.00 O ATOM 928 CB LEU A 80 19.153 18.186 -13.535 1.00 0.00 C ATOM 929 CG LEU A 80 20.231 17.710 -12.540 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.658 17.002 -11.314 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.303 16.819 -13.170 1.00 0.00 C ATOM 0 H LEU A 80 17.870 18.926 -15.407 1.00 0.00 H new ATOM 0 HA LEU A 80 19.444 16.619 -14.989 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.562 19.030 -14.090 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.309 18.563 -12.957 1.00 0.00 H new ATOM 0 HG LEU A 80 20.702 18.639 -12.219 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.472 16.695 -10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.996 17.682 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.096 16.123 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.025 16.525 -12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.835 15.929 -13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.814 17.368 -13.961 1.00 0.00 H new ATOM 943 N LEU A 81 16.418 16.251 -13.792 1.00 0.00 N ATOM 944 CA LEU A 81 15.495 15.181 -13.391 1.00 0.00 C ATOM 945 C LEU A 81 15.396 14.075 -14.458 1.00 0.00 C ATOM 946 O LEU A 81 15.454 12.902 -14.105 1.00 0.00 O ATOM 947 CB LEU A 81 14.120 15.787 -13.036 1.00 0.00 C ATOM 948 CG LEU A 81 13.007 14.768 -12.707 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.350 13.832 -11.545 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.721 15.509 -12.339 1.00 0.00 C ATOM 0 H LEU A 81 15.964 17.152 -13.944 1.00 0.00 H new ATOM 0 HA LEU A 81 15.890 14.693 -12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.245 16.450 -12.180 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.788 16.404 -13.871 1.00 0.00 H new ATOM 0 HG LEU A 81 12.889 14.160 -13.604 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.521 13.146 -11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.247 13.263 -11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.527 14.420 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.938 14.787 -12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.901 16.140 -11.469 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.406 16.129 -13.178 1.00 0.00 H new ATOM 962 N GLY A 82 15.293 14.409 -15.751 1.00 0.00 N ATOM 963 CA GLY A 82 15.263 13.410 -16.835 1.00 0.00 C ATOM 964 C GLY A 82 16.573 12.615 -16.957 1.00 0.00 C ATOM 965 O GLY A 82 16.566 11.395 -17.137 1.00 0.00 O ATOM 0 H GLY A 82 15.228 15.373 -16.077 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.439 12.718 -16.661 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.061 13.914 -17.780 1.00 0.00 H new ATOM 969 N GLU A 83 17.712 13.291 -16.814 1.00 0.00 N ATOM 970 CA GLU A 83 19.054 12.685 -16.799 1.00 0.00 C ATOM 971 C GLU A 83 19.226 11.730 -15.611 1.00 0.00 C ATOM 972 O GLU A 83 19.645 10.583 -15.779 1.00 0.00 O ATOM 973 CB GLU A 83 20.111 13.789 -16.674 1.00 0.00 C ATOM 974 CG GLU A 83 20.163 14.747 -17.863 1.00 0.00 C ATOM 975 CD GLU A 83 21.150 14.266 -18.942 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.808 13.338 -19.715 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.280 14.810 -19.027 1.00 0.00 O ATOM 0 H GLU A 83 17.733 14.305 -16.702 1.00 0.00 H new ATOM 0 HA GLU A 83 19.175 12.127 -17.727 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.915 14.363 -15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.090 13.326 -16.552 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.168 14.842 -18.297 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.456 15.739 -17.518 1.00 0.00 H new ATOM 984 N LEU A 84 18.859 12.202 -14.415 1.00 0.00 N ATOM 985 CA LEU A 84 18.884 11.424 -13.170 1.00 0.00 C ATOM 986 C LEU A 84 17.953 10.203 -13.239 1.00 0.00 C ATOM 987 O LEU A 84 18.374 9.090 -12.912 1.00 0.00 O ATOM 988 CB LEU A 84 18.555 12.371 -11.994 1.00 0.00 C ATOM 989 CG LEU A 84 18.514 11.799 -10.563 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.211 11.069 -10.234 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.691 10.877 -10.243 1.00 0.00 C ATOM 0 H LEU A 84 18.528 13.158 -14.282 1.00 0.00 H new ATOM 0 HA LEU A 84 19.880 11.009 -13.013 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.289 13.177 -12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.583 12.822 -12.196 1.00 0.00 H new ATOM 0 HG LEU A 84 18.584 12.686 -9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.253 10.693 -9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.373 11.758 -10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.078 10.234 -10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.599 10.511 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.690 10.033 -10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.625 11.429 -10.347 1.00 0.00 H new ATOM 1003 N LEU A 85 16.708 10.381 -13.700 1.00 0.00 N ATOM 1004 CA LEU A 85 15.754 9.276 -13.829 1.00 0.00 C ATOM 1005 C LEU A 85 16.148 8.300 -14.949 1.00 0.00 C ATOM 1006 O LEU A 85 15.817 7.117 -14.891 1.00 0.00 O ATOM 1007 CB LEU A 85 14.314 9.822 -13.907 1.00 0.00 C ATOM 1008 CG LEU A 85 13.669 10.059 -15.279 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.932 8.810 -15.770 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.614 11.161 -15.188 1.00 0.00 C ATOM 0 H LEU A 85 16.338 11.286 -13.991 1.00 0.00 H new ATOM 0 HA LEU A 85 15.789 8.661 -12.930 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.673 9.131 -13.360 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.294 10.770 -13.369 1.00 0.00 H new ATOM 0 HG LEU A 85 14.477 10.327 -15.960 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.486 9.010 -16.744 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.636 7.982 -15.856 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.148 8.547 -15.059 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.166 11.317 -16.169 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.841 10.867 -14.478 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.082 12.086 -14.851 1.00 0.00 H new ATOM 1022 N GLY A 86 16.894 8.788 -15.944 1.00 0.00 N ATOM 1023 CA GLY A 86 17.450 7.980 -17.034 1.00 0.00 C ATOM 1024 C GLY A 86 16.508 7.830 -18.231 1.00 0.00 C ATOM 1025 O GLY A 86 16.838 7.125 -19.187 1.00 0.00 O ATOM 0 H GLY A 86 17.134 9.777 -16.016 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.382 8.433 -17.371 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.697 6.990 -16.651 1.00 0.00 H new ATOM 1029 N ARG A 87 15.355 8.516 -18.202 1.00 0.00 N ATOM 1030 CA ARG A 87 14.432 8.663 -19.340 1.00 0.00 C ATOM 1031 C ARG A 87 14.018 10.128 -19.443 1.00 0.00 C ATOM 1032 O ARG A 87 13.573 10.709 -18.461 1.00 0.00 O ATOM 1033 CB ARG A 87 13.212 7.726 -19.169 1.00 0.00 C ATOM 1034 CG ARG A 87 12.878 6.894 -20.416 1.00 0.00 C ATOM 1035 CD ARG A 87 13.861 5.731 -20.607 1.00 0.00 C ATOM 1036 NE ARG A 87 13.488 4.901 -21.770 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.120 3.825 -22.209 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.201 3.374 -21.636 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.672 3.175 -23.244 1.00 0.00 N ATOM 0 H ARG A 87 15.029 8.997 -17.364 1.00 0.00 H new ATOM 0 HA ARG A 87 14.924 8.373 -20.268 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.401 7.050 -18.335 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.342 8.326 -18.902 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.864 6.502 -20.331 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.899 7.536 -21.297 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.869 6.122 -20.745 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.878 5.115 -19.708 1.00 0.00 H new ATOM 0 HE ARG A 87 12.657 5.187 -22.288 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.585 3.854 -20.822 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.662 2.541 -22.002 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.829 3.495 -23.721 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.164 2.346 -23.578 1.00 0.00 H new ATOM 1053 N GLN A 88 14.155 10.731 -20.622 1.00 0.00 N ATOM 1054 CA GLN A 88 13.836 12.153 -20.828 1.00 0.00 C ATOM 1055 C GLN A 88 12.372 12.387 -21.269 1.00 0.00 C ATOM 1056 O GLN A 88 11.972 13.514 -21.567 1.00 0.00 O ATOM 1057 CB GLN A 88 14.893 12.808 -21.730 1.00 0.00 C ATOM 1058 CG GLN A 88 16.293 12.904 -21.088 1.00 0.00 C ATOM 1059 CD GLN A 88 17.081 11.592 -21.124 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.475 11.108 -22.177 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.328 10.940 -20.004 1.00 0.00 N ATOM 0 H GLN A 88 14.488 10.256 -21.461 1.00 0.00 H new ATOM 0 HA GLN A 88 13.891 12.663 -19.866 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.968 12.239 -22.657 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.557 13.810 -21.997 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.866 13.675 -21.602 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.186 13.224 -20.052 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.011 11.320 -19.112 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.836 10.056 -20.030 1.00 0.00 H new ATOM 1070 N SER A 89 11.559 11.325 -21.284 1.00 0.00 N ATOM 1071 CA SER A 89 10.102 11.360 -21.451 1.00 0.00 C ATOM 1072 C SER A 89 9.443 10.104 -20.854 1.00 0.00 C ATOM 1073 O SER A 89 9.985 8.997 -20.929 1.00 0.00 O ATOM 1074 CB SER A 89 9.722 11.542 -22.928 1.00 0.00 C ATOM 1075 OG SER A 89 10.188 10.467 -23.733 1.00 0.00 O ATOM 0 H SER A 89 11.915 10.375 -21.175 1.00 0.00 H new ATOM 0 HA SER A 89 9.723 12.222 -20.902 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.638 11.619 -23.017 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.139 12.479 -23.297 1.00 0.00 H new ATOM 0 HG SER A 89 9.925 10.618 -24.665 1.00 0.00 H new ATOM 1081 N PHE A 90 8.287 10.293 -20.214 1.00 0.00 N ATOM 1082 CA PHE A 90 7.433 9.264 -19.596 1.00 0.00 C ATOM 1083 C PHE A 90 6.028 9.858 -19.364 1.00 0.00 C ATOM 1084 O PHE A 90 5.834 11.057 -19.571 1.00 0.00 O ATOM 1085 CB PHE A 90 8.056 8.766 -18.273 1.00 0.00 C ATOM 1086 CG PHE A 90 8.140 9.799 -17.161 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.239 10.677 -17.080 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.110 9.883 -16.204 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.291 11.648 -16.064 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.165 10.853 -15.188 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.252 11.741 -15.122 1.00 0.00 C ATOM 0 H PHE A 90 7.893 11.227 -20.104 1.00 0.00 H new ATOM 0 HA PHE A 90 7.351 8.403 -20.260 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.474 7.917 -17.914 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.061 8.398 -18.480 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.042 10.604 -17.799 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.275 9.200 -16.251 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.131 12.324 -16.007 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.372 10.916 -14.458 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.289 12.494 -14.349 1.00 0.00 H new ATOM 1101 N SER A 91 5.041 9.070 -18.930 1.00 0.00 N ATOM 1102 CA SER A 91 3.685 9.560 -18.642 1.00 0.00 C ATOM 1103 C SER A 91 3.149 9.085 -17.289 1.00 0.00 C ATOM 1104 O SER A 91 3.666 8.141 -16.689 1.00 0.00 O ATOM 1105 CB SER A 91 2.744 9.147 -19.777 1.00 0.00 C ATOM 1106 OG SER A 91 2.226 7.845 -19.575 1.00 0.00 O ATOM 0 H SER A 91 5.157 8.070 -18.767 1.00 0.00 H new ATOM 0 HA SER A 91 3.736 10.647 -18.578 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.922 9.860 -19.847 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.279 9.183 -20.726 1.00 0.00 H new ATOM 0 HG SER A 91 1.628 7.612 -20.316 1.00 0.00 H new ATOM 1112 N VAL A 92 2.044 9.687 -16.837 1.00 0.00 N ATOM 1113 CA VAL A 92 1.280 9.213 -15.661 1.00 0.00 C ATOM 1114 C VAL A 92 0.684 7.804 -15.848 1.00 0.00 C ATOM 1115 O VAL A 92 0.343 7.143 -14.866 1.00 0.00 O ATOM 1116 CB VAL A 92 0.169 10.211 -15.278 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.751 11.604 -15.017 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.932 10.288 -16.339 1.00 0.00 C ATOM 0 H VAL A 92 1.647 10.520 -17.272 1.00 0.00 H new ATOM 0 HA VAL A 92 2.002 9.148 -14.847 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.285 9.839 -14.360 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.053 12.290 -14.749 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.470 11.551 -14.200 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.250 11.964 -15.917 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.691 11.004 -16.024 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.502 10.609 -17.287 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.388 9.306 -16.462 1.00 0.00 H new ATOM 1128 N LYS A 93 0.580 7.332 -17.101 1.00 0.00 N ATOM 1129 CA LYS A 93 0.147 5.977 -17.490 1.00 0.00 C ATOM 1130 C LYS A 93 1.328 5.010 -17.710 1.00 0.00 C ATOM 1131 O LYS A 93 1.116 3.809 -17.868 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.767 6.089 -18.734 1.00 0.00 C ATOM 1133 CG LYS A 93 -2.120 5.364 -18.594 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.054 3.837 -18.425 1.00 0.00 C ATOM 1135 CE LYS A 93 -1.424 3.143 -19.643 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.248 1.685 -19.410 1.00 0.00 N ATOM 0 H LYS A 93 0.806 7.911 -17.910 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.418 5.538 -16.668 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.952 7.143 -18.940 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.238 5.684 -19.597 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.646 5.782 -17.736 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.721 5.586 -19.476 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.475 3.597 -17.533 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.060 3.447 -18.267 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.055 3.299 -20.518 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.457 3.597 -19.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.821 1.248 -20.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.626 1.537 -18.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.174 1.249 -19.226 1.00 0.00 H new ATOM 1150 N ASP A 94 2.565 5.512 -17.706 1.00 0.00 N ATOM 1151 CA ASP A 94 3.801 4.748 -17.904 1.00 0.00 C ATOM 1152 C ASP A 94 4.903 5.179 -16.906 1.00 0.00 C ATOM 1153 O ASP A 94 5.931 5.737 -17.305 1.00 0.00 O ATOM 1154 CB ASP A 94 4.237 4.868 -19.375 1.00 0.00 C ATOM 1155 CG ASP A 94 5.468 4.000 -19.705 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.683 2.955 -19.043 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.205 4.342 -20.661 1.00 0.00 O ATOM 0 H ASP A 94 2.741 6.506 -17.558 1.00 0.00 H new ATOM 0 HA ASP A 94 3.618 3.694 -17.693 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.408 4.576 -20.020 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.463 5.911 -19.599 1.00 0.00 H new ATOM 1162 N PRO A 95 4.719 4.921 -15.593 1.00 0.00 N ATOM 1163 CA PRO A 95 5.701 5.219 -14.544 1.00 0.00 C ATOM 1164 C PRO A 95 6.872 4.212 -14.488 1.00 0.00 C ATOM 1165 O PRO A 95 7.605 4.173 -13.502 1.00 0.00 O ATOM 1166 CB PRO A 95 4.879 5.239 -13.249 1.00 0.00 C ATOM 1167 CG PRO A 95 3.829 4.161 -13.512 1.00 0.00 C ATOM 1168 CD PRO A 95 3.512 4.366 -14.990 1.00 0.00 C ATOM 0 HA PRO A 95 6.205 6.167 -14.731 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.490 5.007 -12.376 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.425 6.214 -13.071 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.215 3.161 -13.314 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.947 4.292 -12.885 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.239 3.423 -15.464 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.667 5.043 -15.116 1.00 0.00 H new ATOM 1176 N SER A 96 7.074 3.379 -15.516 1.00 0.00 N ATOM 1177 CA SER A 96 8.077 2.299 -15.522 1.00 0.00 C ATOM 1178 C SER A 96 9.518 2.776 -15.231 1.00 0.00 C ATOM 1179 O SER A 96 10.131 2.251 -14.292 1.00 0.00 O ATOM 1180 CB SER A 96 7.992 1.513 -16.837 1.00 0.00 C ATOM 1181 OG SER A 96 8.886 0.411 -16.820 1.00 0.00 O ATOM 0 H SER A 96 6.538 3.435 -16.382 1.00 0.00 H new ATOM 0 HA SER A 96 7.831 1.638 -14.691 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.973 1.159 -16.990 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.230 2.168 -17.675 1.00 0.00 H new ATOM 0 HG SER A 96 8.817 -0.079 -17.666 1.00 0.00 H new ATOM 1187 N PRO A 97 10.064 3.813 -15.913 1.00 0.00 N ATOM 1188 CA PRO A 97 11.383 4.355 -15.568 1.00 0.00 C ATOM 1189 C PRO A 97 11.389 5.109 -14.224 1.00 0.00 C ATOM 1190 O PRO A 97 12.442 5.259 -13.609 1.00 0.00 O ATOM 1191 CB PRO A 97 11.756 5.270 -16.735 1.00 0.00 C ATOM 1192 CG PRO A 97 10.405 5.766 -17.243 1.00 0.00 C ATOM 1193 CD PRO A 97 9.523 4.533 -17.066 1.00 0.00 C ATOM 0 HA PRO A 97 12.109 3.554 -15.427 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.391 6.095 -16.412 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.303 4.731 -17.509 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.039 6.615 -16.665 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.454 6.086 -18.284 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.484 4.817 -16.896 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.541 3.909 -17.959 1.00 0.00 H new ATOM 1201 N LEU A 98 10.225 5.558 -13.735 1.00 0.00 N ATOM 1202 CA LEU A 98 10.081 6.255 -12.453 1.00 0.00 C ATOM 1203 C LEU A 98 10.293 5.279 -11.281 1.00 0.00 C ATOM 1204 O LEU A 98 11.110 5.542 -10.398 1.00 0.00 O ATOM 1205 CB LEU A 98 8.701 6.957 -12.430 1.00 0.00 C ATOM 1206 CG LEU A 98 8.555 8.206 -11.546 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.841 7.940 -10.073 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.445 9.354 -12.026 1.00 0.00 C ATOM 0 H LEU A 98 9.341 5.444 -14.231 1.00 0.00 H new ATOM 0 HA LEU A 98 10.847 7.022 -12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.449 7.237 -13.453 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.958 6.228 -12.107 1.00 0.00 H new ATOM 0 HG LEU A 98 7.508 8.493 -11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.720 8.863 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.146 7.190 -9.697 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.863 7.577 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.310 10.216 -11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 98 10.489 9.040 -12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.171 9.625 -13.046 1.00 0.00 H new ATOM 1220 N TYR A 99 9.650 4.107 -11.306 1.00 0.00 N ATOM 1221 CA TYR A 99 9.908 3.058 -10.310 1.00 0.00 C ATOM 1222 C TYR A 99 11.351 2.543 -10.368 1.00 0.00 C ATOM 1223 O TYR A 99 11.989 2.364 -9.331 1.00 0.00 O ATOM 1224 CB TYR A 99 8.921 1.896 -10.474 1.00 0.00 C ATOM 1225 CG TYR A 99 7.535 2.212 -9.945 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.322 2.285 -8.554 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.468 2.459 -10.831 1.00 0.00 C ATOM 1228 CE1 TYR A 99 6.053 2.625 -8.045 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.197 2.793 -10.325 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.985 2.881 -8.933 1.00 0.00 C ATOM 1231 OH TYR A 99 3.750 3.211 -8.460 1.00 0.00 O ATOM 0 H TYR A 99 8.948 3.860 -12.003 1.00 0.00 H new ATOM 0 HA TYR A 99 9.763 3.511 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.849 1.635 -11.530 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.311 1.020 -9.955 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.136 2.079 -7.874 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.625 2.392 -11.897 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.897 2.690 -6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.380 2.983 -11.006 1.00 0.00 H new ATOM 0 HH TYR A 99 3.139 3.353 -9.213 1.00 0.00 H new ATOM 1241 N ASP A 100 11.900 2.366 -11.569 1.00 0.00 N ATOM 1242 CA ASP A 100 13.289 1.937 -11.754 1.00 0.00 C ATOM 1243 C ASP A 100 14.293 2.938 -11.177 1.00 0.00 C ATOM 1244 O ASP A 100 15.242 2.542 -10.498 1.00 0.00 O ATOM 1245 CB ASP A 100 13.523 1.733 -13.255 1.00 0.00 C ATOM 1246 CG ASP A 100 14.879 1.082 -13.562 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.118 -0.067 -13.125 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.714 1.718 -14.248 1.00 0.00 O ATOM 0 H ASP A 100 11.395 2.516 -12.443 1.00 0.00 H new ATOM 0 HA ASP A 100 13.448 1.006 -11.209 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.726 1.110 -13.661 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.464 2.696 -13.762 1.00 0.00 H new ATOM 1253 N MET A 101 14.055 4.238 -11.374 1.00 0.00 N ATOM 1254 CA MET A 101 14.901 5.274 -10.780 1.00 0.00 C ATOM 1255 C MET A 101 14.736 5.371 -9.262 1.00 0.00 C ATOM 1256 O MET A 101 15.736 5.519 -8.566 1.00 0.00 O ATOM 1257 CB MET A 101 14.737 6.627 -11.491 1.00 0.00 C ATOM 1258 CG MET A 101 13.666 7.589 -10.948 1.00 0.00 C ATOM 1259 SD MET A 101 14.348 9.028 -10.087 1.00 0.00 S ATOM 1260 CE MET A 101 12.869 10.069 -10.054 1.00 0.00 C ATOM 0 H MET A 101 13.285 4.596 -11.939 1.00 0.00 H new ATOM 0 HA MET A 101 15.934 4.967 -10.941 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.698 7.141 -11.461 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.513 6.431 -12.540 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.046 7.933 -11.776 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.014 7.044 -10.266 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.098 11.011 -9.555 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.542 10.269 -11.074 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.075 9.556 -9.512 1.00 0.00 H new ATOM 1270 N LEU A 102 13.523 5.236 -8.710 1.00 0.00 N ATOM 1271 CA LEU A 102 13.302 5.405 -7.278 1.00 0.00 C ATOM 1272 C LEU A 102 13.957 4.242 -6.528 1.00 0.00 C ATOM 1273 O LEU A 102 14.741 4.494 -5.621 1.00 0.00 O ATOM 1274 CB LEU A 102 11.813 5.719 -6.982 1.00 0.00 C ATOM 1275 CG LEU A 102 10.794 4.575 -6.853 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.839 3.870 -5.496 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.379 5.137 -7.011 1.00 0.00 C ATOM 0 H LEU A 102 12.681 5.010 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 102 13.803 6.289 -6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.781 6.287 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.458 6.380 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 102 11.051 3.854 -7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.094 3.074 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.830 3.444 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.625 4.589 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.654 4.328 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.194 5.879 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.280 5.604 -7.991 1.00 0.00 H new ATOM 1289 N ARG A 103 13.803 3.003 -7.023 1.00 0.00 N ATOM 1290 CA ARG A 103 14.473 1.797 -6.492 1.00 0.00 C ATOM 1291 C ARG A 103 16.010 1.861 -6.556 1.00 0.00 C ATOM 1292 O ARG A 103 16.673 1.152 -5.798 1.00 0.00 O ATOM 1293 CB ARG A 103 13.963 0.561 -7.256 1.00 0.00 C ATOM 1294 CG ARG A 103 12.507 0.210 -6.906 1.00 0.00 C ATOM 1295 CD ARG A 103 12.005 -0.930 -7.800 1.00 0.00 C ATOM 1296 NE ARG A 103 10.615 -1.308 -7.470 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.908 -2.274 -8.033 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.389 -3.019 -8.989 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.690 -2.516 -7.640 1.00 0.00 N ATOM 0 H ARG A 103 13.198 2.804 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 103 14.221 1.732 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.042 0.743 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.603 -0.292 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.438 -0.083 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.873 1.088 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.062 -0.626 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.656 -1.797 -7.685 1.00 0.00 H new ATOM 0 HE ARG A 103 10.155 -0.771 -6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.339 -2.866 -9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.815 -3.755 -9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.275 -1.959 -6.893 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.151 -3.263 -8.079 1.00 0.00 H new ATOM 1313 N LYS A 104 16.576 2.718 -7.421 1.00 0.00 N ATOM 1314 CA LYS A 104 18.030 2.976 -7.543 1.00 0.00 C ATOM 1315 C LYS A 104 18.503 4.264 -6.856 1.00 0.00 C ATOM 1316 O LYS A 104 19.701 4.554 -6.859 1.00 0.00 O ATOM 1317 CB LYS A 104 18.461 2.871 -9.018 1.00 0.00 C ATOM 1318 CG LYS A 104 18.478 1.394 -9.452 1.00 0.00 C ATOM 1319 CD LYS A 104 18.975 1.183 -10.889 1.00 0.00 C ATOM 1320 CE LYS A 104 17.934 1.680 -11.895 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.295 1.337 -13.295 1.00 0.00 N ATOM 0 H LYS A 104 16.023 3.270 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 104 18.544 2.195 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.775 3.437 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.450 3.310 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.114 0.830 -8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.472 0.985 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.915 1.715 -11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.177 0.125 -11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.964 1.245 -11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.830 2.761 -11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.448 1.394 -13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.011 2.006 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.679 0.371 -13.328 1.00 0.00 H new ATOM 1335 N ASN A 105 17.594 5.047 -6.271 1.00 0.00 N ATOM 1336 CA ASN A 105 17.925 6.244 -5.492 1.00 0.00 C ATOM 1337 C ASN A 105 17.555 6.014 -4.022 1.00 0.00 C ATOM 1338 O ASN A 105 18.405 5.693 -3.192 1.00 0.00 O ATOM 1339 CB ASN A 105 17.199 7.443 -6.133 1.00 0.00 C ATOM 1340 CG ASN A 105 17.962 8.010 -7.312 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.813 8.871 -7.179 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.697 7.503 -8.484 1.00 0.00 N ATOM 0 H ASN A 105 16.592 4.865 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 105 18.994 6.459 -5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.207 7.132 -6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.058 8.223 -5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.206 7.827 -9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.981 6.782 -8.578 1.00 0.00 H new ATOM 1349 N LEU A 106 16.268 6.163 -3.720 1.00 0.00 N ATOM 1350 CA LEU A 106 15.718 5.958 -2.378 1.00 0.00 C ATOM 1351 C LEU A 106 15.570 4.471 -2.022 1.00 0.00 C ATOM 1352 O LEU A 106 15.620 3.574 -2.868 1.00 0.00 O ATOM 1353 CB LEU A 106 14.388 6.728 -2.164 1.00 0.00 C ATOM 1354 CG LEU A 106 13.375 6.685 -3.320 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.942 6.729 -2.819 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.576 7.919 -4.205 1.00 0.00 C ATOM 0 H LEU A 106 15.566 6.433 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 106 16.449 6.378 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.904 6.331 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.627 7.771 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 106 13.541 5.755 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.259 6.697 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.757 5.872 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.781 7.650 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.862 7.897 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.420 8.821 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.590 7.919 -4.605 1.00 0.00 H new ATOM 1368 N VAL A 107 15.372 4.231 -0.727 1.00 0.00 N ATOM 1369 CA VAL A 107 14.966 2.913 -0.201 1.00 0.00 C ATOM 1370 C VAL A 107 13.554 2.566 -0.694 1.00 0.00 C ATOM 1371 O VAL A 107 12.813 3.441 -1.149 1.00 0.00 O ATOM 1372 CB VAL A 107 15.049 2.847 1.339 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.510 2.925 1.792 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.217 3.932 2.036 1.00 0.00 C ATOM 0 H VAL A 107 15.487 4.942 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 107 15.668 2.171 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 107 14.621 1.889 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.557 2.878 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.067 2.090 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.947 3.863 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.318 3.830 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.572 4.916 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.169 3.822 1.758 1.00 0.00 H new