USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 409 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 16 THR OG1 : rot 161:sc= 0.298 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 0:sc= -1.94 USER MOD Single : A 4 LYS NZ :NH3+ 132:sc= -1.64 (180deg=-2.11!) USER MOD Single : A 8 ASN : amide:sc= -2.49! C(o=-2.5!,f=-7.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -12.4! (180deg=-13.4!) USER MOD Single : A 17 THR OG1 : rot 45:sc= 0.0593 USER MOD Single : A 18 THR OG1 : rot 160:sc= 0 USER MOD Single : A 25 THR OG1 : rot -80:sc= -4.15! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.568 (180deg=-0.568) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.1 F(o=-3.4!,f=-2.1) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.154 F(o=-1.6!,f=-0.15) USER MOD Single : A 37 ASN : amide:sc= -2.69! C(o=-2.7!,f=-4.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 49 THR OG1 : rot -125:sc= -1.4! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.37! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.652 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -0.076 27.508 22.647 1.00 1.00 N ATOM 21 CA GLN A 2 -0.647 26.572 21.672 1.00 1.00 C ATOM 22 C GLN A 2 0.397 25.908 20.774 1.00 1.00 C ATOM 23 O GLN A 2 1.248 26.566 20.172 1.00 1.00 O ATOM 24 CB GLN A 2 -1.656 27.316 20.806 1.00 1.00 C ATOM 25 CG GLN A 2 -2.427 26.306 19.967 1.00 1.00 C ATOM 26 CD GLN A 2 -3.521 27.013 19.170 1.00 1.00 C ATOM 27 OE1 GLN A 2 -3.227 27.864 18.330 1.00 1.00 O ATOM 28 NE2 GLN A 2 -4.777 26.715 19.389 1.00 1.00 N ATOM 0 HA GLN A 2 -1.121 25.772 22.240 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -2.341 27.887 21.432 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.144 28.030 20.160 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -1.747 25.791 19.289 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -2.869 25.547 20.613 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -5.020 26.010 20.085 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -5.512 27.188 18.864 1.00 1.00 H new ATOM 37 N TYR A 3 0.280 24.578 20.684 1.00 1.00 N ATOM 38 CA TYR A 3 1.160 23.752 19.851 1.00 1.00 C ATOM 39 C TYR A 3 0.345 23.061 18.781 1.00 1.00 C ATOM 40 O TYR A 3 -0.866 22.891 18.929 1.00 1.00 O ATOM 41 CB TYR A 3 1.851 22.692 20.695 1.00 1.00 C ATOM 42 CG TYR A 3 2.377 23.338 21.927 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.505 23.582 22.986 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.723 23.701 22.016 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.974 24.193 24.139 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.192 24.309 23.174 1.00 1.00 C ATOM 47 CZ TYR A 3 3.314 24.555 24.233 1.00 1.00 C ATOM 48 OH TYR A 3 3.768 25.170 25.371 1.00 1.00 O ATOM 0 H TYR A 3 -0.428 24.044 21.187 1.00 1.00 H new ATOM 0 HA TYR A 3 1.910 24.399 19.396 1.00 1.00 H new ATOM 0 HB2 TYR A 3 1.151 21.898 20.953 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.663 22.231 20.133 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.466 23.296 22.909 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.394 23.511 21.191 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.301 24.387 24.961 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.231 24.590 23.255 1.00 1.00 H new ATOM 0 HH TYR A 3 3.027 25.276 26.004 1.00 1.00 H new ATOM 58 N LYS A 4 1.004 22.648 17.700 1.00 1.00 N ATOM 59 CA LYS A 4 0.314 21.958 16.605 1.00 1.00 C ATOM 60 C LYS A 4 1.104 20.718 16.212 1.00 1.00 C ATOM 61 O LYS A 4 2.326 20.695 16.288 1.00 1.00 O ATOM 62 CB LYS A 4 0.157 22.914 15.406 1.00 1.00 C ATOM 63 CG LYS A 4 -1.087 22.555 14.576 1.00 1.00 C ATOM 64 CD LYS A 4 -1.307 23.643 13.517 1.00 1.00 C ATOM 65 CE LYS A 4 -2.639 23.413 12.802 1.00 1.00 C ATOM 66 NZ LYS A 4 -2.557 22.176 11.978 1.00 1.00 N ATOM 0 H LYS A 4 2.006 22.776 17.557 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.680 21.649 16.929 1.00 1.00 H new ATOM 0 HB2 LYS A 4 0.077 23.941 15.763 1.00 1.00 H new ATOM 0 HB3 LYS A 4 1.046 22.863 14.777 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -0.954 21.585 14.098 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -1.961 22.475 15.222 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.302 24.626 13.987 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -0.490 23.631 12.795 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -3.444 23.323 13.531 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -2.876 24.268 12.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -3.394 21.584 12.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -2.522 22.432 10.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -1.698 21.647 12.231 1.00 1.00 H new ATOM 80 N LEU A 5 0.392 19.674 15.817 1.00 1.00 N ATOM 81 CA LEU A 5 1.021 18.413 15.438 1.00 1.00 C ATOM 82 C LEU A 5 0.801 18.157 13.948 1.00 1.00 C ATOM 83 O LEU A 5 -0.323 18.249 13.460 1.00 1.00 O ATOM 84 CB LEU A 5 0.371 17.278 16.249 1.00 1.00 C ATOM 85 CG LEU A 5 1.287 16.029 16.407 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.420 14.805 16.749 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.091 15.707 15.131 1.00 1.00 C ATOM 0 H LEU A 5 -0.626 19.673 15.750 1.00 1.00 H new ATOM 0 HA LEU A 5 2.091 18.457 15.640 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.107 17.653 17.238 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.558 16.979 15.763 1.00 1.00 H new ATOM 0 HG LEU A 5 1.997 16.257 17.202 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.057 13.928 16.861 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.114 14.987 17.682 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.298 14.632 15.947 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.710 14.827 15.304 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.404 15.512 14.308 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.728 16.555 14.879 1.00 1.00 H new ATOM 99 N ILE A 6 1.867 17.781 13.246 1.00 1.00 N ATOM 100 CA ILE A 6 1.765 17.444 11.816 1.00 1.00 C ATOM 101 C ILE A 6 1.897 15.952 11.661 1.00 1.00 C ATOM 102 O ILE A 6 2.834 15.339 12.163 1.00 1.00 O ATOM 103 CB ILE A 6 2.856 18.111 11.005 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.796 19.622 11.220 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.680 17.772 9.520 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.417 20.183 10.844 1.00 1.00 C ATOM 0 H ILE A 6 2.807 17.700 13.634 1.00 1.00 H new ATOM 0 HA ILE A 6 0.801 17.797 11.451 1.00 1.00 H new ATOM 0 HB ILE A 6 3.830 17.746 11.330 1.00 1.00 H new ATOM 0 HG12 ILE A 6 3.013 19.852 12.263 1.00 1.00 H new ATOM 0 HG13 ILE A 6 3.565 20.108 10.620 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.467 18.254 8.941 1.00 1.00 H new ATOM 0 HG22 ILE A 6 2.739 16.692 9.384 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.708 18.128 9.178 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.406 21.261 11.008 1.00 1.00 H new ATOM 0 HD12 ILE A 6 1.213 19.973 9.794 1.00 1.00 H new ATOM 0 HD13 ILE A 6 0.652 19.714 11.463 1.00 1.00 H new ATOM 118 N LEU A 7 0.926 15.356 11.004 1.00 1.00 N ATOM 119 CA LEU A 7 0.903 13.927 10.831 1.00 1.00 C ATOM 120 C LEU A 7 1.175 13.472 9.418 1.00 1.00 C ATOM 121 O LEU A 7 0.436 13.799 8.490 1.00 1.00 O ATOM 122 CB LEU A 7 -0.481 13.460 11.243 1.00 1.00 C ATOM 123 CG LEU A 7 -0.692 13.800 12.727 1.00 1.00 C ATOM 124 CD1 LEU A 7 -2.184 14.003 13.025 1.00 1.00 C ATOM 125 CD2 LEU A 7 -0.111 12.666 13.584 1.00 1.00 C ATOM 0 H LEU A 7 0.139 15.846 10.580 1.00 1.00 H new ATOM 0 HA LEU A 7 1.701 13.500 11.438 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -1.242 13.946 10.632 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.581 12.386 11.083 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.178 14.731 12.967 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.315 14.243 14.080 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.569 14.821 12.416 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.730 13.089 12.790 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.255 12.897 14.639 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -0.619 11.732 13.344 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.954 12.563 13.378 1.00 1.00 H new ATOM 137 N ASN A 8 2.198 12.646 9.279 1.00 1.00 N ATOM 138 CA ASN A 8 2.545 12.048 8.004 1.00 1.00 C ATOM 139 C ASN A 8 2.714 10.551 8.236 1.00 1.00 C ATOM 140 O ASN A 8 3.781 9.991 7.997 1.00 1.00 O ATOM 141 CB ASN A 8 3.841 12.655 7.475 1.00 1.00 C ATOM 142 CG ASN A 8 4.294 11.913 6.221 1.00 1.00 C ATOM 143 OD1 ASN A 8 3.672 10.929 5.823 1.00 1.00 O ATOM 144 ND2 ASN A 8 5.347 12.330 5.571 1.00 1.00 N ATOM 0 H ASN A 8 2.810 12.372 10.047 1.00 1.00 H new ATOM 0 HA ASN A 8 1.766 12.234 7.264 1.00 1.00 H new ATOM 0 HB2 ASN A 8 3.691 13.711 7.248 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.616 12.600 8.239 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.655 11.840 4.731 1.00 1.00 H new ATOM 0 HD22 ASN A 8 5.861 13.146 5.903 1.00 1.00 H new ATOM 151 N GLY A 9 1.646 9.908 8.706 1.00 1.00 N ATOM 152 CA GLY A 9 1.678 8.473 8.976 1.00 1.00 C ATOM 153 C GLY A 9 1.210 7.675 7.777 1.00 1.00 C ATOM 154 O GLY A 9 0.466 8.177 6.935 1.00 1.00 O ATOM 0 H GLY A 9 0.752 10.356 8.907 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.692 8.174 9.241 1.00 1.00 H new ATOM 0 HA3 GLY A 9 1.045 8.248 9.834 1.00 1.00 H new ATOM 158 N LYS A 10 1.660 6.430 7.701 1.00 1.00 N ATOM 159 CA LYS A 10 1.273 5.590 6.572 1.00 1.00 C ATOM 160 C LYS A 10 -0.195 5.213 6.699 1.00 1.00 C ATOM 161 O LYS A 10 -0.871 4.967 5.699 1.00 1.00 O ATOM 162 CB LYS A 10 2.146 4.329 6.517 1.00 1.00 C ATOM 163 CG LYS A 10 2.065 3.580 7.847 1.00 1.00 C ATOM 164 CD LYS A 10 3.024 2.389 7.823 1.00 1.00 C ATOM 165 CE LYS A 10 2.966 1.666 9.169 1.00 1.00 C ATOM 166 NZ LYS A 10 3.900 0.505 9.152 1.00 1.00 N ATOM 0 H LYS A 10 2.275 5.988 8.384 1.00 1.00 H new ATOM 0 HA LYS A 10 1.421 6.147 5.647 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.814 3.682 5.705 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.180 4.601 6.306 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.320 4.249 8.669 1.00 1.00 H new ATOM 0 HG3 LYS A 10 1.046 3.236 8.021 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.753 1.706 7.018 1.00 1.00 H new ATOM 0 HD3 LYS A 10 4.040 2.730 7.624 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.235 2.351 9.973 1.00 1.00 H new ATOM 0 HE3 LYS A 10 1.950 1.325 9.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.860 0.014 10.068 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.624 -0.152 8.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.869 0.842 8.982 1.00 1.00 H new ATOM 180 N THR A 11 -0.693 5.191 7.936 1.00 1.00 N ATOM 181 CA THR A 11 -2.096 4.872 8.194 1.00 1.00 C ATOM 182 C THR A 11 -2.832 6.098 8.734 1.00 1.00 C ATOM 183 O THR A 11 -4.057 6.175 8.655 1.00 1.00 O ATOM 184 CB THR A 11 -2.190 3.731 9.218 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.239 3.945 10.252 1.00 1.00 O ATOM 186 CG2 THR A 11 -1.911 2.387 8.532 1.00 1.00 C ATOM 0 H THR A 11 -0.146 5.390 8.773 1.00 1.00 H new ATOM 0 HA THR A 11 -2.559 4.564 7.257 1.00 1.00 H new ATOM 0 HB THR A 11 -3.194 3.712 9.643 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.299 3.219 10.907 1.00 1.00 H new ATOM 0 HG21 THR A 11 -1.980 1.583 9.265 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.645 2.222 7.743 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.910 2.400 8.100 1.00 1.00 H new ATOM 194 N LEU A 12 -2.080 7.048 9.305 1.00 1.00 N ATOM 195 CA LEU A 12 -2.680 8.250 9.875 1.00 1.00 C ATOM 196 C LEU A 12 -1.933 9.513 9.447 1.00 1.00 C ATOM 197 O LEU A 12 -0.760 9.690 9.762 1.00 1.00 O ATOM 198 CB LEU A 12 -2.674 8.112 11.394 1.00 1.00 C ATOM 199 CG LEU A 12 -3.463 9.259 12.036 1.00 1.00 C ATOM 200 CD1 LEU A 12 -3.859 8.861 13.470 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.622 10.556 12.057 1.00 1.00 C ATOM 0 H LEU A 12 -1.064 7.004 9.382 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.701 8.349 9.507 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.111 7.156 11.681 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.648 8.117 11.762 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.361 9.447 11.447 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.420 9.673 13.931 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.477 7.964 13.441 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.960 8.664 14.054 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -3.201 11.357 12.517 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.711 10.390 12.632 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.360 10.837 11.037 1.00 1.00 H new ATOM 213 N LYS A 13 -2.638 10.399 8.747 1.00 1.00 N ATOM 214 CA LYS A 13 -2.058 11.668 8.286 1.00 1.00 C ATOM 215 C LYS A 13 -3.038 12.809 8.532 1.00 1.00 C ATOM 216 O LYS A 13 -4.246 12.592 8.627 1.00 1.00 O ATOM 217 CB LYS A 13 -1.715 11.601 6.789 1.00 1.00 C ATOM 218 CG LYS A 13 -2.973 11.229 5.963 1.00 1.00 C ATOM 219 CD LYS A 13 -2.605 10.261 4.818 1.00 1.00 C ATOM 220 CE LYS A 13 -2.038 8.934 5.390 1.00 1.00 C ATOM 221 NZ LYS A 13 -2.334 8.825 6.855 1.00 1.00 N ATOM 0 H LYS A 13 -3.614 10.265 8.484 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.141 11.846 8.847 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -1.324 12.562 6.455 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -0.931 10.863 6.622 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -3.717 10.767 6.612 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -3.425 12.132 5.552 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -3.486 10.055 4.211 1.00 1.00 H new ATOM 0 HD3 LYS A 13 -1.868 10.726 4.163 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -2.475 8.087 4.861 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -0.961 8.891 5.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -2.166 7.849 7.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -1.714 9.472 7.383 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -3.327 9.079 7.028 1.00 1.00 H new ATOM 235 N GLY A 14 -2.513 14.025 8.633 1.00 1.00 N ATOM 236 CA GLY A 14 -3.342 15.205 8.867 1.00 1.00 C ATOM 237 C GLY A 14 -2.684 16.123 9.891 1.00 1.00 C ATOM 238 O GLY A 14 -1.460 16.253 9.920 1.00 1.00 O ATOM 0 H GLY A 14 -1.515 14.221 8.556 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.493 15.743 7.931 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.327 14.901 9.222 1.00 1.00 H new ATOM 242 N GLU A 15 -3.499 16.775 10.727 1.00 1.00 N ATOM 243 CA GLU A 15 -2.980 17.692 11.739 1.00 1.00 C ATOM 244 C GLU A 15 -3.831 17.650 13.005 1.00 1.00 C ATOM 245 O GLU A 15 -5.000 17.266 12.975 1.00 1.00 O ATOM 246 CB GLU A 15 -2.966 19.142 11.212 1.00 1.00 C ATOM 247 CG GLU A 15 -1.841 19.356 10.176 1.00 1.00 C ATOM 248 CD GLU A 15 -2.316 19.039 8.760 1.00 1.00 C ATOM 249 OE1 GLU A 15 -3.425 18.549 8.620 1.00 1.00 O ATOM 250 OE2 GLU A 15 -1.558 19.284 7.836 1.00 1.00 O ATOM 0 H GLU A 15 -4.515 16.683 10.721 1.00 1.00 H new ATOM 0 HA GLU A 15 -1.964 17.372 11.969 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.929 19.375 10.758 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.831 19.832 12.045 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -1.494 20.388 10.222 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -0.990 18.723 10.426 1.00 1.00 H new ATOM 257 N THR A 16 -3.219 18.048 14.115 1.00 1.00 N ATOM 258 CA THR A 16 -3.893 18.064 15.413 1.00 1.00 C ATOM 259 C THR A 16 -3.358 19.240 16.246 1.00 1.00 C ATOM 260 O THR A 16 -2.197 19.614 16.106 1.00 1.00 O ATOM 261 CB THR A 16 -3.657 16.701 16.100 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.723 15.824 15.758 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.587 16.832 17.623 1.00 1.00 C ATOM 0 H THR A 16 -2.250 18.366 14.144 1.00 1.00 H new ATOM 0 HA THR A 16 -4.968 18.208 15.302 1.00 1.00 H new ATOM 0 HB THR A 16 -2.701 16.309 15.754 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.450 14.897 15.922 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.420 15.850 18.065 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.766 17.496 17.894 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.525 17.243 17.996 1.00 1.00 H new ATOM 271 N THR A 17 -4.206 19.833 17.100 1.00 1.00 N ATOM 272 CA THR A 17 -3.776 20.980 17.928 1.00 1.00 C ATOM 273 C THR A 17 -4.184 20.826 19.392 1.00 1.00 C ATOM 274 O THR A 17 -5.279 20.358 19.702 1.00 1.00 O ATOM 275 CB THR A 17 -4.363 22.285 17.374 1.00 1.00 C ATOM 276 OG1 THR A 17 -3.999 23.362 18.225 1.00 1.00 O ATOM 277 CG2 THR A 17 -5.891 22.185 17.313 1.00 1.00 C ATOM 0 H THR A 17 -5.176 19.548 17.237 1.00 1.00 H new ATOM 0 HA THR A 17 -2.687 21.010 17.885 1.00 1.00 H new ATOM 0 HB THR A 17 -3.973 22.456 16.371 1.00 1.00 H new ATOM 0 HG1 THR A 17 -3.052 23.284 18.464 1.00 1.00 H new ATOM 0 HG21 THR A 17 -6.301 23.115 16.919 1.00 1.00 H new ATOM 0 HG22 THR A 17 -6.176 21.358 16.662 1.00 1.00 H new ATOM 0 HG23 THR A 17 -6.284 22.011 18.314 1.00 1.00 H new ATOM 285 N THR A 18 -3.284 21.246 20.288 1.00 1.00 N ATOM 286 CA THR A 18 -3.530 21.181 21.728 1.00 1.00 C ATOM 287 C THR A 18 -2.817 22.327 22.433 1.00 1.00 C ATOM 288 O THR A 18 -1.758 22.773 21.989 1.00 1.00 O ATOM 289 CB THR A 18 -3.031 19.850 22.298 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.748 19.554 23.489 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.531 19.927 22.617 1.00 1.00 C ATOM 0 H THR A 18 -2.375 21.636 20.037 1.00 1.00 H new ATOM 0 HA THR A 18 -4.604 21.261 21.895 1.00 1.00 H new ATOM 0 HB THR A 18 -3.192 19.067 21.557 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.680 18.596 23.682 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.195 18.972 23.021 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.976 20.151 21.706 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.355 20.713 23.351 1.00 1.00 H new ATOM 299 N GLU A 19 -3.379 22.788 23.545 1.00 1.00 N ATOM 300 CA GLU A 19 -2.758 23.861 24.304 1.00 1.00 C ATOM 301 C GLU A 19 -2.075 23.275 25.530 1.00 1.00 C ATOM 302 O GLU A 19 -2.617 22.399 26.204 1.00 1.00 O ATOM 303 CB GLU A 19 -3.812 24.900 24.705 1.00 1.00 C ATOM 304 CG GLU A 19 -3.150 26.269 24.863 1.00 1.00 C ATOM 305 CD GLU A 19 -4.205 27.314 25.213 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.378 27.005 25.095 1.00 1.00 O ATOM 307 OE2 GLU A 19 -3.821 28.408 25.595 1.00 1.00 O ATOM 0 H GLU A 19 -4.254 22.438 23.936 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.010 24.362 23.690 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.595 24.949 23.948 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.290 24.606 25.640 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.391 26.229 25.645 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.642 26.547 23.939 1.00 1.00 H new ATOM 314 N ALA A 20 -0.863 23.745 25.788 1.00 1.00 N ATOM 315 CA ALA A 20 -0.070 23.254 26.907 1.00 1.00 C ATOM 316 C ALA A 20 0.697 24.393 27.572 1.00 1.00 C ATOM 317 O ALA A 20 0.853 25.475 27.005 1.00 1.00 O ATOM 318 CB ALA A 20 0.902 22.165 26.411 1.00 1.00 C ATOM 0 H ALA A 20 -0.405 24.469 25.235 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.740 22.825 27.652 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.495 21.798 27.249 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.335 21.340 25.979 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.564 22.586 25.654 1.00 1.00 H new ATOM 324 N VAL A 21 1.195 24.123 28.767 1.00 1.00 N ATOM 325 CA VAL A 21 1.974 25.101 29.498 1.00 1.00 C ATOM 326 C VAL A 21 3.301 25.283 28.780 1.00 1.00 C ATOM 327 O VAL A 21 3.812 26.396 28.649 1.00 1.00 O ATOM 328 CB VAL A 21 2.199 24.627 30.940 1.00 1.00 C ATOM 329 CG1 VAL A 21 2.454 23.121 30.957 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.397 25.354 31.564 1.00 1.00 C ATOM 0 H VAL A 21 1.072 23.233 29.250 1.00 1.00 H new ATOM 0 HA VAL A 21 1.444 26.052 29.539 1.00 1.00 H new ATOM 0 HB VAL A 21 1.306 24.853 31.522 1.00 1.00 H new ATOM 0 HG11 VAL A 21 2.613 22.790 31.983 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.592 22.601 30.538 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.339 22.895 30.362 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.542 25.005 32.587 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.293 25.146 30.979 1.00 1.00 H new ATOM 0 HG23 VAL A 21 3.208 26.428 31.570 1.00 1.00 H new ATOM 340 N ASP A 22 3.851 24.170 28.325 1.00 1.00 N ATOM 341 CA ASP A 22 5.124 24.181 27.622 1.00 1.00 C ATOM 342 C ASP A 22 5.198 22.998 26.664 1.00 1.00 C ATOM 343 O ASP A 22 4.249 22.225 26.537 1.00 1.00 O ATOM 344 CB ASP A 22 6.263 24.076 28.640 1.00 1.00 C ATOM 345 CG ASP A 22 6.128 22.785 29.442 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.316 21.957 29.062 1.00 1.00 O ATOM 347 OD2 ASP A 22 6.838 22.644 30.424 1.00 1.00 O ATOM 0 H ASP A 22 3.435 23.245 28.430 1.00 1.00 H new ATOM 0 HA ASP A 22 5.214 25.108 27.057 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.224 24.096 28.126 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.242 24.935 29.311 1.00 1.00 H new ATOM 352 N ALA A 23 6.339 22.854 26.002 1.00 1.00 N ATOM 353 CA ALA A 23 6.545 21.753 25.071 1.00 1.00 C ATOM 354 C ALA A 23 6.654 20.440 25.833 1.00 1.00 C ATOM 355 O ALA A 23 6.204 19.394 25.366 1.00 1.00 O ATOM 356 CB ALA A 23 7.816 21.987 24.256 1.00 1.00 C ATOM 0 H ALA A 23 7.135 23.485 26.093 1.00 1.00 H new ATOM 0 HA ALA A 23 5.693 21.701 24.393 1.00 1.00 H new ATOM 0 HB1 ALA A 23 7.961 21.158 23.563 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.723 22.917 23.695 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.672 22.053 24.928 1.00 1.00 H new ATOM 362 N ALA A 24 7.253 20.511 27.017 1.00 1.00 N ATOM 363 CA ALA A 24 7.418 19.331 27.855 1.00 1.00 C ATOM 364 C ALA A 24 6.070 18.629 28.025 1.00 1.00 C ATOM 365 O ALA A 24 6.007 17.409 28.152 1.00 1.00 O ATOM 366 CB ALA A 24 7.972 19.726 29.226 1.00 1.00 C ATOM 0 H ALA A 24 7.631 21.370 27.416 1.00 1.00 H new ATOM 0 HA ALA A 24 8.123 18.653 27.374 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.090 18.834 29.841 1.00 1.00 H new ATOM 0 HB2 ALA A 24 8.940 20.212 29.101 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.281 20.414 29.713 1.00 1.00 H new ATOM 372 N THR A 25 4.991 19.416 28.029 1.00 1.00 N ATOM 373 CA THR A 25 3.647 18.867 28.192 1.00 1.00 C ATOM 374 C THR A 25 3.062 18.478 26.833 1.00 1.00 C ATOM 375 O THR A 25 2.619 17.347 26.637 1.00 1.00 O ATOM 376 CB THR A 25 2.726 19.911 28.861 1.00 1.00 C ATOM 377 OG1 THR A 25 2.980 21.184 28.285 1.00 1.00 O ATOM 378 CG2 THR A 25 2.979 19.986 30.377 1.00 1.00 C ATOM 0 H THR A 25 5.023 20.430 27.922 1.00 1.00 H new ATOM 0 HA THR A 25 3.712 17.980 28.822 1.00 1.00 H new ATOM 0 HB THR A 25 1.690 19.614 28.699 1.00 1.00 H new ATOM 0 HG1 THR A 25 3.785 21.571 28.688 1.00 1.00 H new ATOM 0 HG21 THR A 25 2.316 20.729 30.820 1.00 1.00 H new ATOM 0 HG22 THR A 25 2.785 19.012 30.827 1.00 1.00 H new ATOM 0 HG23 THR A 25 4.016 20.270 30.559 1.00 1.00 H new ATOM 386 N ALA A 26 3.043 19.428 25.907 1.00 1.00 N ATOM 387 CA ALA A 26 2.486 19.172 24.583 1.00 1.00 C ATOM 388 C ALA A 26 3.150 17.961 23.919 1.00 1.00 C ATOM 389 O ALA A 26 2.493 17.216 23.191 1.00 1.00 O ATOM 390 CB ALA A 26 2.670 20.410 23.698 1.00 1.00 C ATOM 0 H ALA A 26 3.402 20.373 26.044 1.00 1.00 H new ATOM 0 HA ALA A 26 1.425 18.953 24.700 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.253 20.216 22.710 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.156 21.259 24.148 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.732 20.637 23.606 1.00 1.00 H new ATOM 396 N GLU A 27 4.449 17.777 24.151 1.00 1.00 N ATOM 397 CA GLU A 27 5.167 16.655 23.533 1.00 1.00 C ATOM 398 C GLU A 27 4.581 15.310 23.967 1.00 1.00 C ATOM 399 O GLU A 27 4.354 14.428 23.143 1.00 1.00 O ATOM 400 CB GLU A 27 6.681 16.724 23.858 1.00 1.00 C ATOM 401 CG GLU A 27 7.013 16.092 25.221 1.00 1.00 C ATOM 402 CD GLU A 27 8.499 16.275 25.533 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.285 16.279 24.600 1.00 1.00 O ATOM 404 OE2 GLU A 27 8.827 16.404 26.701 1.00 1.00 O ATOM 0 H GLU A 27 5.019 18.375 24.749 1.00 1.00 H new ATOM 0 HA GLU A 27 5.043 16.738 22.453 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.242 16.212 23.076 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.005 17.765 23.854 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.409 16.554 26.002 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.763 15.031 25.210 1.00 1.00 H new ATOM 411 N LYS A 28 4.350 15.160 25.264 1.00 1.00 N ATOM 412 CA LYS A 28 3.809 13.918 25.795 1.00 1.00 C ATOM 413 C LYS A 28 2.353 13.746 25.385 1.00 1.00 C ATOM 414 O LYS A 28 1.871 12.624 25.224 1.00 1.00 O ATOM 415 CB LYS A 28 3.951 13.898 27.320 1.00 1.00 C ATOM 416 CG LYS A 28 5.391 13.517 27.700 1.00 1.00 C ATOM 417 CD LYS A 28 5.570 13.543 29.225 1.00 1.00 C ATOM 418 CE LYS A 28 5.805 14.983 29.710 1.00 1.00 C ATOM 419 NZ LYS A 28 6.130 14.982 31.181 1.00 1.00 N ATOM 0 H LYS A 28 4.528 15.880 25.965 1.00 1.00 H new ATOM 0 HA LYS A 28 4.374 13.083 25.380 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.703 14.876 27.731 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.250 13.184 27.751 1.00 1.00 H new ATOM 0 HG2 LYS A 28 5.623 12.523 27.318 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.092 14.210 27.234 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.686 13.129 29.709 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.413 12.914 29.510 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.622 15.436 29.149 1.00 1.00 H new ATOM 0 HE3 LYS A 28 4.917 15.588 29.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.288 15.958 31.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.338 14.567 31.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.989 14.420 31.346 1.00 1.00 H new ATOM 433 N VAL A 29 1.656 14.857 25.226 1.00 1.00 N ATOM 434 CA VAL A 29 0.248 14.815 24.849 1.00 1.00 C ATOM 435 C VAL A 29 0.097 14.358 23.399 1.00 1.00 C ATOM 436 O VAL A 29 -0.773 13.545 23.090 1.00 1.00 O ATOM 437 CB VAL A 29 -0.382 16.199 25.028 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.810 16.195 24.471 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.419 16.554 26.517 1.00 1.00 C ATOM 0 H VAL A 29 2.036 15.795 25.350 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.264 14.102 25.495 1.00 1.00 H new ATOM 0 HB VAL A 29 0.213 16.937 24.490 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.254 17.182 24.601 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.786 15.944 23.410 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.407 15.456 25.005 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.867 17.539 26.645 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -1.012 15.813 27.053 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.596 16.563 26.914 1.00 1.00 H new ATOM 449 N PHE A 30 0.935 14.879 22.510 1.00 1.00 N ATOM 450 CA PHE A 30 0.851 14.496 21.103 1.00 1.00 C ATOM 451 C PHE A 30 1.270 13.052 20.897 1.00 1.00 C ATOM 452 O PHE A 30 0.654 12.326 20.117 1.00 1.00 O ATOM 453 CB PHE A 30 1.759 15.371 20.248 1.00 1.00 C ATOM 454 CG PHE A 30 1.245 16.794 20.168 1.00 1.00 C ATOM 455 CD1 PHE A 30 -0.073 17.064 19.750 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.101 17.858 20.481 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.516 18.383 19.643 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.646 19.176 20.374 1.00 1.00 C ATOM 459 CZ PHE A 30 0.337 19.434 19.951 1.00 1.00 C ATOM 0 H PHE A 30 1.667 15.554 22.730 1.00 1.00 H new ATOM 0 HA PHE A 30 -0.190 14.625 20.805 1.00 1.00 H new ATOM 0 HB2 PHE A 30 2.766 15.370 20.666 1.00 1.00 H new ATOM 0 HB3 PHE A 30 1.830 14.952 19.244 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.741 16.249 19.512 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.112 17.660 20.805 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.526 18.587 19.319 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.305 19.996 20.618 1.00 1.00 H new ATOM 0 HZ PHE A 30 -0.010 20.453 19.864 1.00 1.00 H new ATOM 469 N LYS A 31 2.314 12.632 21.589 1.00 1.00 N ATOM 470 CA LYS A 31 2.774 11.266 21.444 1.00 1.00 C ATOM 471 C LYS A 31 1.697 10.339 21.971 1.00 1.00 C ATOM 472 O LYS A 31 1.442 9.285 21.396 1.00 1.00 O ATOM 473 CB LYS A 31 4.087 11.071 22.197 1.00 1.00 C ATOM 474 CG LYS A 31 5.189 11.878 21.502 1.00 1.00 C ATOM 475 CD LYS A 31 6.502 11.725 22.287 1.00 1.00 C ATOM 476 CE LYS A 31 7.629 12.545 21.631 1.00 1.00 C ATOM 477 NZ LYS A 31 7.605 13.951 22.146 1.00 1.00 N ATOM 0 H LYS A 31 2.848 13.204 22.243 1.00 1.00 H new ATOM 0 HA LYS A 31 2.961 11.039 20.394 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.979 11.396 23.232 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.353 10.014 22.221 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.321 11.528 20.478 1.00 1.00 H new ATOM 0 HG3 LYS A 31 4.906 12.929 21.446 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.357 12.055 23.316 1.00 1.00 H new ATOM 0 HD3 LYS A 31 6.787 10.674 22.327 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.595 12.087 21.844 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.508 12.544 20.548 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.368 14.498 21.699 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.688 14.388 21.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.742 13.945 23.177 1.00 1.00 H new ATOM 491 N GLN A 32 1.032 10.752 23.042 1.00 1.00 N ATOM 492 CA GLN A 32 -0.052 9.949 23.578 1.00 1.00 C ATOM 493 C GLN A 32 -1.135 9.809 22.530 1.00 1.00 C ATOM 494 O GLN A 32 -1.644 8.720 22.297 1.00 1.00 O ATOM 495 CB GLN A 32 -0.666 10.558 24.833 1.00 1.00 C ATOM 496 CG GLN A 32 -1.774 9.624 25.372 1.00 1.00 C ATOM 497 CD GLN A 32 -1.163 8.330 25.897 1.00 1.00 C ATOM 498 OE1 GLN A 32 0.136 8.240 26.045 1.00 1.00 O flip ATOM 499 NE2 GLN A 32 -1.884 7.377 26.190 1.00 1.00 N flip ATOM 0 H GLN A 32 1.220 11.619 23.545 1.00 1.00 H new ATOM 0 HA GLN A 32 0.367 8.979 23.847 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.102 10.704 25.592 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -1.082 11.540 24.607 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.325 10.124 26.169 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -2.489 9.402 24.580 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -2.895 7.448 26.075 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -1.471 6.516 26.548 1.00 1.00 H new ATOM 508 N TYR A 33 -1.486 10.922 21.913 1.00 1.00 N ATOM 509 CA TYR A 33 -2.519 10.923 20.895 1.00 1.00 C ATOM 510 C TYR A 33 -2.118 9.970 19.778 1.00 1.00 C ATOM 511 O TYR A 33 -2.882 9.082 19.399 1.00 1.00 O ATOM 512 CB TYR A 33 -2.675 12.375 20.389 1.00 1.00 C ATOM 513 CG TYR A 33 -3.090 12.425 18.940 1.00 1.00 C ATOM 514 CD1 TYR A 33 -2.112 12.395 17.939 1.00 1.00 C ATOM 515 CD2 TYR A 33 -4.438 12.515 18.603 1.00 1.00 C ATOM 516 CE1 TYR A 33 -2.492 12.442 16.595 1.00 1.00 C ATOM 517 CE2 TYR A 33 -4.820 12.560 17.258 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.845 12.526 16.253 1.00 1.00 C ATOM 519 OH TYR A 33 -4.218 12.570 14.926 1.00 1.00 O ATOM 0 H TYR A 33 -1.072 11.835 22.099 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.476 10.581 21.288 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.416 12.893 20.997 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.732 12.906 20.515 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -1.067 12.336 18.205 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.188 12.550 19.379 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.740 12.413 15.820 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -5.866 12.621 16.995 1.00 1.00 H new ATOM 0 HH TYR A 33 -5.194 12.627 14.862 1.00 1.00 H new ATOM 529 N ALA A 34 -0.908 10.137 19.269 1.00 1.00 N ATOM 530 CA ALA A 34 -0.418 9.265 18.216 1.00 1.00 C ATOM 531 C ALA A 34 -0.344 7.815 18.722 1.00 1.00 C ATOM 532 O ALA A 34 -0.695 6.875 18.015 1.00 1.00 O ATOM 533 CB ALA A 34 0.961 9.746 17.749 1.00 1.00 C ATOM 0 H ALA A 34 -0.253 10.861 19.565 1.00 1.00 H new ATOM 0 HA ALA A 34 -1.106 9.298 17.371 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.327 9.090 16.959 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.881 10.764 17.368 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.657 9.726 18.588 1.00 1.00 H new ATOM 539 N ASN A 35 0.142 7.639 19.954 1.00 1.00 N ATOM 540 CA ASN A 35 0.266 6.302 20.532 1.00 1.00 C ATOM 541 C ASN A 35 -1.122 5.724 20.739 1.00 1.00 C ATOM 542 O ASN A 35 -1.379 4.561 20.419 1.00 1.00 O ATOM 543 CB ASN A 35 1.030 6.365 21.862 1.00 1.00 C ATOM 544 CG ASN A 35 2.542 6.467 21.620 1.00 1.00 C ATOM 545 OD1 ASN A 35 3.008 6.459 20.400 1.00 1.00 O flip ATOM 546 ND2 ASN A 35 3.312 6.561 22.574 1.00 1.00 N flip ATOM 0 H ASN A 35 0.452 8.397 20.562 1.00 1.00 H new ATOM 0 HA ASN A 35 0.827 5.660 19.853 1.00 1.00 H new ATOM 0 HB2 ASN A 35 0.691 7.225 22.440 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.811 5.476 22.454 1.00 1.00 H new ATOM 0 HD21 ASN A 35 2.946 6.567 23.526 1.00 1.00 H new ATOM 0 HD22 ASN A 35 4.317 6.633 22.413 1.00 1.00 H new ATOM 553 N ASP A 36 -2.041 6.546 21.226 1.00 1.00 N ATOM 554 CA ASP A 36 -3.393 6.078 21.419 1.00 1.00 C ATOM 555 C ASP A 36 -3.985 5.825 20.055 1.00 1.00 C ATOM 556 O ASP A 36 -4.963 5.100 19.898 1.00 1.00 O ATOM 557 CB ASP A 36 -4.197 7.142 22.176 1.00 1.00 C ATOM 558 CG ASP A 36 -3.677 7.192 23.611 1.00 1.00 C ATOM 559 OD1 ASP A 36 -2.604 6.659 23.846 1.00 1.00 O ATOM 560 OD2 ASP A 36 -4.334 7.801 24.433 1.00 1.00 O ATOM 0 H ASP A 36 -1.875 7.518 21.488 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.414 5.160 22.007 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -4.088 8.115 21.697 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -5.259 6.898 22.164 1.00 1.00 H new ATOM 565 N ASN A 37 -3.410 6.467 19.023 1.00 1.00 N ATOM 566 CA ASN A 37 -3.958 6.279 17.666 1.00 1.00 C ATOM 567 C ASN A 37 -3.121 5.253 16.910 1.00 1.00 C ATOM 568 O ASN A 37 -3.247 5.097 15.679 1.00 1.00 O ATOM 569 CB ASN A 37 -3.964 7.609 16.902 1.00 1.00 C ATOM 570 CG ASN A 37 -5.047 8.510 17.497 1.00 1.00 C ATOM 571 OD1 ASN A 37 -5.949 7.998 18.167 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.065 9.787 17.231 1.00 1.00 N ATOM 0 H ASN A 37 -2.606 7.091 19.092 1.00 1.00 H new ATOM 0 HA ASN A 37 -4.984 5.919 17.749 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -2.989 8.091 16.975 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.156 7.436 15.843 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.828 10.369 17.577 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.316 10.203 16.677 1.00 1.00 H new ATOM 579 N GLY A 38 -2.252 4.548 17.632 1.00 1.00 N ATOM 580 CA GLY A 38 -1.410 3.515 17.015 1.00 1.00 C ATOM 581 C GLY A 38 -0.410 4.056 15.991 1.00 1.00 C ATOM 582 O GLY A 38 -0.001 3.291 15.113 1.00 1.00 O ATOM 0 H GLY A 38 -2.110 4.668 18.635 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.864 2.990 17.799 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.052 2.781 16.528 1.00 1.00 H new ATOM 586 N VAL A 39 0.041 5.302 16.118 1.00 1.00 N ATOM 587 CA VAL A 39 1.038 5.826 15.185 1.00 1.00 C ATOM 588 C VAL A 39 2.444 5.560 15.731 1.00 1.00 C ATOM 589 O VAL A 39 2.722 5.866 16.897 1.00 1.00 O ATOM 590 CB VAL A 39 0.844 7.325 15.016 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.635 7.806 13.806 1.00 1.00 C ATOM 592 CG2 VAL A 39 -0.645 7.615 14.824 1.00 1.00 C ATOM 0 H VAL A 39 -0.259 5.956 16.841 1.00 1.00 H new ATOM 0 HA VAL A 39 0.919 5.331 14.221 1.00 1.00 H new ATOM 0 HB VAL A 39 1.202 7.851 15.901 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.496 8.880 13.684 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.693 7.591 13.954 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.282 7.291 12.912 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -0.794 8.688 14.702 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.005 7.095 13.936 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.199 7.269 15.697 1.00 1.00 H new ATOM 602 N ASP A 40 3.329 5.037 14.892 1.00 1.00 N ATOM 603 CA ASP A 40 4.715 4.795 15.289 1.00 1.00 C ATOM 604 C ASP A 40 5.633 5.336 14.204 1.00 1.00 C ATOM 605 O ASP A 40 5.685 4.773 13.108 1.00 1.00 O ATOM 606 CB ASP A 40 4.962 3.298 15.484 1.00 1.00 C ATOM 607 CG ASP A 40 6.291 3.063 16.201 1.00 1.00 C ATOM 608 OD1 ASP A 40 6.786 3.994 16.833 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.817 1.971 16.089 1.00 1.00 O ATOM 0 H ASP A 40 3.114 4.771 13.931 1.00 1.00 H new ATOM 0 HA ASP A 40 4.917 5.299 16.234 1.00 1.00 H new ATOM 0 HB2 ASP A 40 4.148 2.862 16.063 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.970 2.796 14.517 1.00 1.00 H new ATOM 614 N GLY A 41 6.360 6.414 14.474 1.00 1.00 N ATOM 615 CA GLY A 41 7.254 6.969 13.453 1.00 1.00 C ATOM 616 C GLY A 41 8.420 7.722 14.061 1.00 1.00 C ATOM 617 O GLY A 41 8.842 7.450 15.180 1.00 1.00 O ATOM 0 H GLY A 41 6.354 6.913 15.364 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.632 6.162 12.826 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.690 7.639 12.804 1.00 1.00 H new ATOM 621 N GLU A 42 8.921 8.709 13.306 1.00 1.00 N ATOM 622 CA GLU A 42 10.019 9.536 13.756 1.00 1.00 C ATOM 623 C GLU A 42 9.414 10.858 14.189 1.00 1.00 C ATOM 624 O GLU A 42 8.492 11.342 13.556 1.00 1.00 O ATOM 625 CB GLU A 42 10.988 9.783 12.605 1.00 1.00 C ATOM 626 CG GLU A 42 11.579 8.445 12.156 1.00 1.00 C ATOM 627 CD GLU A 42 12.412 7.826 13.275 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.821 8.558 14.161 1.00 1.00 O ATOM 629 OE2 GLU A 42 12.628 6.626 13.226 1.00 1.00 O ATOM 0 H GLU A 42 8.572 8.945 12.377 1.00 1.00 H new ATOM 0 HA GLU A 42 10.563 9.055 14.569 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.471 10.264 11.774 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.783 10.459 12.920 1.00 1.00 H new ATOM 0 HG2 GLU A 42 10.777 7.764 11.872 1.00 1.00 H new ATOM 0 HG3 GLU A 42 12.199 8.593 11.272 1.00 1.00 H new ATOM 636 N TRP A 43 9.908 11.396 15.288 1.00 1.00 N ATOM 637 CA TRP A 43 9.378 12.631 15.854 1.00 1.00 C ATOM 638 C TRP A 43 10.393 13.750 15.886 1.00 1.00 C ATOM 639 O TRP A 43 11.583 13.547 16.131 1.00 1.00 O ATOM 640 CB TRP A 43 8.935 12.373 17.285 1.00 1.00 C ATOM 641 CG TRP A 43 7.684 11.582 17.286 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.604 10.232 17.163 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.331 12.056 17.443 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.271 9.858 17.223 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.455 10.952 17.399 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.779 13.339 17.611 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.086 11.110 17.527 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.395 13.504 17.735 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.547 12.388 17.694 1.00 1.00 C ATOM 0 H TRP A 43 10.684 10.995 15.814 1.00 1.00 H new ATOM 0 HA TRP A 43 8.550 12.938 15.215 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.715 11.838 17.826 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.779 13.319 17.803 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.441 9.561 17.039 1.00 1.00 H new ATOM 0 HE1 TRP A 43 5.938 8.897 17.147 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.427 14.202 17.644 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.436 10.248 17.498 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.979 14.493 17.862 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.479 12.516 17.791 1.00 1.00 H new ATOM 660 N THR A 44 9.877 14.942 15.646 1.00 1.00 N ATOM 661 CA THR A 44 10.673 16.159 15.647 1.00 1.00 C ATOM 662 C THR A 44 9.858 17.290 16.272 1.00 1.00 C ATOM 663 O THR A 44 8.629 17.230 16.282 1.00 1.00 O ATOM 664 CB THR A 44 10.996 16.517 14.210 1.00 1.00 C ATOM 665 OG1 THR A 44 11.449 17.863 14.145 1.00 1.00 O ATOM 666 CG2 THR A 44 9.723 16.339 13.386 1.00 1.00 C ATOM 0 H THR A 44 8.889 15.095 15.444 1.00 1.00 H new ATOM 0 HA THR A 44 11.590 16.011 16.217 1.00 1.00 H new ATOM 0 HB THR A 44 11.784 15.874 13.818 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.659 18.093 13.216 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.925 16.590 12.345 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.389 15.303 13.451 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.944 16.996 13.773 1.00 1.00 H new ATOM 674 N TYR A 45 10.528 18.331 16.765 1.00 1.00 N ATOM 675 CA TYR A 45 9.815 19.463 17.356 1.00 1.00 C ATOM 676 C TYR A 45 10.500 20.789 17.049 1.00 1.00 C ATOM 677 O TYR A 45 11.720 20.915 17.153 1.00 1.00 O ATOM 678 CB TYR A 45 9.709 19.289 18.876 1.00 1.00 C ATOM 679 CG TYR A 45 9.147 20.554 19.507 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.877 21.020 19.147 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.902 21.262 20.455 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.362 22.184 19.728 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.386 22.427 21.036 1.00 1.00 C ATOM 684 CZ TYR A 45 8.116 22.887 20.672 1.00 1.00 C ATOM 685 OH TYR A 45 7.607 24.035 21.247 1.00 1.00 O ATOM 0 H TYR A 45 11.545 18.415 16.768 1.00 1.00 H new ATOM 0 HA TYR A 45 8.819 19.483 16.914 1.00 1.00 H new ATOM 0 HB2 TYR A 45 9.066 18.440 19.109 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.691 19.070 19.294 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.292 20.479 18.418 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.883 20.908 20.737 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.382 22.539 19.447 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.969 22.970 21.765 1.00 1.00 H new ATOM 0 HH TYR A 45 8.258 24.399 21.882 1.00 1.00 H new ATOM 695 N ASP A 46 9.685 21.792 16.726 1.00 1.00 N ATOM 696 CA ASP A 46 10.182 23.140 16.467 1.00 1.00 C ATOM 697 C ASP A 46 9.573 24.094 17.495 1.00 1.00 C ATOM 698 O ASP A 46 8.350 24.243 17.562 1.00 1.00 O ATOM 699 CB ASP A 46 9.800 23.592 15.057 1.00 1.00 C ATOM 700 CG ASP A 46 10.339 24.997 14.816 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.853 25.583 15.755 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.228 25.467 13.696 1.00 1.00 O ATOM 0 H ASP A 46 8.674 21.694 16.637 1.00 1.00 H new ATOM 0 HA ASP A 46 11.269 23.144 16.547 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.208 22.902 14.318 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.716 23.581 14.940 1.00 1.00 H new ATOM 707 N ASP A 47 10.425 24.717 18.312 1.00 1.00 N ATOM 708 CA ASP A 47 9.948 25.621 19.358 1.00 1.00 C ATOM 709 C ASP A 47 9.654 27.019 18.810 1.00 1.00 C ATOM 710 O ASP A 47 8.924 27.791 19.430 1.00 1.00 O ATOM 711 CB ASP A 47 11.001 25.730 20.467 1.00 1.00 C ATOM 712 CG ASP A 47 12.220 26.519 19.990 1.00 1.00 C ATOM 713 OD1 ASP A 47 12.284 26.820 18.809 1.00 1.00 O ATOM 714 OD2 ASP A 47 13.075 26.803 20.812 1.00 1.00 O ATOM 0 H ASP A 47 11.439 24.613 18.270 1.00 1.00 H new ATOM 0 HA ASP A 47 9.021 25.207 19.753 1.00 1.00 H new ATOM 0 HB2 ASP A 47 10.566 26.218 21.339 1.00 1.00 H new ATOM 0 HB3 ASP A 47 11.309 24.732 20.780 1.00 1.00 H new ATOM 719 N ALA A 48 10.235 27.346 17.660 1.00 1.00 N ATOM 720 CA ALA A 48 10.019 28.670 17.082 1.00 1.00 C ATOM 721 C ALA A 48 8.676 28.732 16.362 1.00 1.00 C ATOM 722 O ALA A 48 8.116 29.810 16.166 1.00 1.00 O ATOM 723 CB ALA A 48 11.134 28.987 16.091 1.00 1.00 C ATOM 0 H ALA A 48 10.844 26.731 17.120 1.00 1.00 H new ATOM 0 HA ALA A 48 10.021 29.402 17.890 1.00 1.00 H new ATOM 0 HB1 ALA A 48 10.969 29.975 15.662 1.00 1.00 H new ATOM 0 HB2 ALA A 48 12.094 28.970 16.606 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.136 28.242 15.295 1.00 1.00 H new ATOM 729 N THR A 49 8.166 27.568 15.960 1.00 1.00 N ATOM 730 CA THR A 49 6.886 27.491 15.248 1.00 1.00 C ATOM 731 C THR A 49 5.855 26.752 16.097 1.00 1.00 C ATOM 732 O THR A 49 4.671 26.729 15.762 1.00 1.00 O ATOM 733 CB THR A 49 7.068 26.769 13.902 1.00 1.00 C ATOM 734 OG1 THR A 49 7.884 25.624 14.088 1.00 1.00 O ATOM 735 CG2 THR A 49 7.728 27.708 12.883 1.00 1.00 C ATOM 0 H THR A 49 8.617 26.666 16.114 1.00 1.00 H new ATOM 0 HA THR A 49 6.531 28.504 15.061 1.00 1.00 H new ATOM 0 HB THR A 49 6.091 26.467 13.525 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.647 25.662 13.474 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.852 27.186 11.934 1.00 1.00 H new ATOM 0 HG22 THR A 49 7.098 28.585 12.735 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.704 28.021 13.255 1.00 1.00 H new ATOM 743 N LYS A 50 6.313 26.141 17.191 1.00 1.00 N ATOM 744 CA LYS A 50 5.418 25.401 18.066 1.00 1.00 C ATOM 745 C LYS A 50 4.705 24.309 17.286 1.00 1.00 C ATOM 746 O LYS A 50 3.493 24.138 17.412 1.00 1.00 O ATOM 747 CB LYS A 50 4.375 26.344 18.663 1.00 1.00 C ATOM 748 CG LYS A 50 5.062 27.553 19.304 1.00 1.00 C ATOM 749 CD LYS A 50 5.991 27.088 20.430 1.00 1.00 C ATOM 750 CE LYS A 50 6.316 28.267 21.354 1.00 1.00 C ATOM 751 NZ LYS A 50 7.042 27.766 22.551 1.00 1.00 N ATOM 0 H LYS A 50 7.289 26.146 17.486 1.00 1.00 H new ATOM 0 HA LYS A 50 6.009 24.952 18.864 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.687 26.677 17.885 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.781 25.816 19.409 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.632 28.099 18.552 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.314 28.241 19.698 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.516 26.288 20.999 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.910 26.679 20.010 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.925 29.001 20.826 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.398 28.772 21.656 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 7.265 28.563 23.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.446 27.081 23.057 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.924 27.303 22.253 1.00 1.00 H new ATOM 765 N THR A 51 5.457 23.583 16.461 1.00 1.00 N ATOM 766 CA THR A 51 4.870 22.517 15.638 1.00 1.00 C ATOM 767 C THR A 51 5.613 21.194 15.823 1.00 1.00 C ATOM 768 O THR A 51 6.835 21.135 15.684 1.00 1.00 O ATOM 769 CB THR A 51 4.921 22.926 14.159 1.00 1.00 C ATOM 770 OG1 THR A 51 4.235 24.158 13.987 1.00 1.00 O ATOM 771 CG2 THR A 51 4.254 21.846 13.306 1.00 1.00 C ATOM 0 H THR A 51 6.462 23.708 16.342 1.00 1.00 H new ATOM 0 HA THR A 51 3.837 22.375 15.955 1.00 1.00 H new ATOM 0 HB THR A 51 5.960 23.041 13.849 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.268 24.422 13.044 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.291 22.137 12.256 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.780 20.901 13.439 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.215 21.729 13.614 1.00 1.00 H new ATOM 779 N PHE A 52 4.858 20.117 16.099 1.00 1.00 N ATOM 780 CA PHE A 52 5.446 18.798 16.251 1.00 1.00 C ATOM 781 C PHE A 52 5.083 18.002 15.024 1.00 1.00 C ATOM 782 O PHE A 52 4.049 18.263 14.423 1.00 1.00 O ATOM 783 CB PHE A 52 4.851 18.091 17.470 1.00 1.00 C ATOM 784 CG PHE A 52 5.343 18.720 18.747 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.666 19.812 19.292 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.463 18.194 19.400 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.107 20.381 20.492 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.903 18.759 20.602 1.00 1.00 C ATOM 789 CZ PHE A 52 6.225 19.853 21.148 1.00 1.00 C ATOM 0 H PHE A 52 3.845 20.145 16.219 1.00 1.00 H new ATOM 0 HA PHE A 52 6.525 18.884 16.378 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.763 18.142 17.430 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.122 17.035 17.452 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.802 20.218 18.788 1.00 1.00 H new ATOM 0 HD2 PHE A 52 6.988 17.351 18.976 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.585 21.228 20.912 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.766 18.350 21.108 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.564 20.290 22.076 1.00 1.00 H new ATOM 799 N THR A 53 5.895 17.030 14.639 1.00 1.00 N ATOM 800 CA THR A 53 5.545 16.215 13.479 1.00 1.00 C ATOM 801 C THR A 53 5.919 14.769 13.732 1.00 1.00 C ATOM 802 O THR A 53 6.953 14.491 14.350 1.00 1.00 O ATOM 803 CB THR A 53 6.246 16.701 12.198 1.00 1.00 C ATOM 804 OG1 THR A 53 7.529 16.114 12.109 1.00 1.00 O ATOM 805 CG2 THR A 53 6.379 18.227 12.203 1.00 1.00 C ATOM 0 H THR A 53 6.775 16.788 15.094 1.00 1.00 H new ATOM 0 HA THR A 53 4.469 16.307 13.332 1.00 1.00 H new ATOM 0 HB THR A 53 5.646 16.406 11.337 1.00 1.00 H new ATOM 0 HG1 THR A 53 7.974 16.423 11.292 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.877 18.552 11.289 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.388 18.678 12.256 1.00 1.00 H new ATOM 0 HG23 THR A 53 6.966 18.538 13.067 1.00 1.00 H new ATOM 813 N VAL A 54 5.127 13.842 13.189 1.00 1.00 N ATOM 814 CA VAL A 54 5.450 12.429 13.302 1.00 1.00 C ATOM 815 C VAL A 54 5.246 11.766 11.953 1.00 1.00 C ATOM 816 O VAL A 54 4.261 12.026 11.261 1.00 1.00 O ATOM 817 CB VAL A 54 4.611 11.761 14.385 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.136 11.831 14.026 1.00 1.00 C ATOM 819 CG2 VAL A 54 5.034 10.294 14.536 1.00 1.00 C ATOM 0 H VAL A 54 4.270 14.046 12.675 1.00 1.00 H new ATOM 0 HA VAL A 54 6.493 12.318 13.597 1.00 1.00 H new ATOM 0 HB VAL A 54 4.771 12.285 15.327 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.548 11.350 14.808 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.833 12.874 13.934 1.00 1.00 H new ATOM 0 HG13 VAL A 54 2.967 11.319 13.079 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.432 9.820 15.311 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.884 9.773 13.590 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.087 10.246 14.814 1.00 1.00 H new ATOM 829 N THR A 55 6.200 10.926 11.579 1.00 1.00 N ATOM 830 CA THR A 55 6.156 10.243 10.299 1.00 1.00 C ATOM 831 C THR A 55 6.572 8.783 10.435 1.00 1.00 C ATOM 832 O THR A 55 7.672 8.480 10.896 1.00 1.00 O ATOM 833 CB THR A 55 7.102 10.949 9.343 1.00 1.00 C ATOM 834 OG1 THR A 55 6.693 12.299 9.178 1.00 1.00 O ATOM 835 CG2 THR A 55 7.090 10.239 7.996 1.00 1.00 C ATOM 0 H THR A 55 7.016 10.702 12.148 1.00 1.00 H new ATOM 0 HA THR A 55 5.134 10.268 9.922 1.00 1.00 H new ATOM 0 HB THR A 55 8.112 10.928 9.751 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.305 12.753 8.562 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.769 10.747 7.311 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.412 9.206 8.126 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.081 10.256 7.585 1.00 1.00 H new ATOM 843 N GLU A 56 5.695 7.891 9.998 1.00 1.00 N ATOM 844 CA GLU A 56 5.963 6.462 10.034 1.00 1.00 C ATOM 845 C GLU A 56 6.550 6.007 8.699 1.00 1.00 C ATOM 846 O GLU A 56 7.577 5.349 8.719 1.00 1.00 O ATOM 847 CB GLU A 56 4.664 5.700 10.307 1.00 1.00 C ATOM 848 CG GLU A 56 3.810 6.457 11.325 1.00 1.00 C ATOM 849 CD GLU A 56 2.460 5.765 11.456 1.00 1.00 C ATOM 850 OE1 GLU A 56 2.412 4.709 12.063 1.00 1.00 O ATOM 851 OE2 GLU A 56 1.493 6.296 10.935 1.00 1.00 O ATOM 852 OXT GLU A 56 5.962 6.324 7.678 1.00 1.00 O ATOM 0 H GLU A 56 4.784 8.136 9.611 1.00 1.00 H new ATOM 0 HA GLU A 56 6.679 6.256 10.829 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.107 5.572 9.379 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.891 4.702 10.683 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.313 6.485 12.291 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.673 7.491 11.007 1.00 1.00 H new