USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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 8 ASN : amide:sc= -0.125 K(o=-0.39,f=-4.5!) USER MOD Set 1.2: A 55 THR OG1 : rot 151:sc= -0.27 USER MOD Set 2.1: A 16 THR OG1 : rot 162:sc= 0.422 USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 2 GLN : amide:sc= -3.08 K(o=-4.1,f=0.2) USER MOD Set 3.2: A 17 THR OG1 : rot 117:sc= -1.03 USER MOD Set 4.1: A 1 MET CE :methyl -155:sc= -7.52! (180deg=-11.4!) USER MOD Set 4.2: A 3 TYR OH : rot -149:sc= -1.92 USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.391 (180deg=0.314) USER MOD Single : A 4 LYS NZ :NH3+ -123:sc= -1.47 (180deg=-2.51!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= -8.52! (180deg=-9.26!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 85:sc= -0.888 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.35! K(o=-1.3!,f=0.00093) USER MOD Single : A 35 ASN : amide:sc= -0.0568 K(o=-0.057,f=-0.56) USER MOD Single : A 37 ASN : amide:sc= -3.64! C(o=-3.6!,f=-4.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : A 45 TYR OH : rot 55:sc= -0.295 USER MOD Single : A 49 THR OG1 : rot -137:sc= -1.63! 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= -3.64! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.400 27.988 26.208 1.00 1.00 N ATOM 2 CA MET A 1 0.373 28.102 24.940 1.00 1.00 C ATOM 3 C MET A 1 -0.166 27.073 23.939 1.00 1.00 C ATOM 4 O MET A 1 -0.528 25.964 24.322 1.00 1.00 O ATOM 5 CB MET A 1 1.869 27.875 25.254 1.00 1.00 C ATOM 6 CG MET A 1 2.725 28.877 24.471 1.00 1.00 C ATOM 7 SD MET A 1 2.279 28.781 22.724 1.00 1.00 S ATOM 8 CE MET A 1 2.831 27.081 22.459 1.00 1.00 C ATOM 0 H1 MET A 1 -0.176 28.795 26.825 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.418 27.987 25.995 1.00 1.00 H new ATOM 0 H3 MET A 1 -0.147 27.102 26.691 1.00 1.00 H new ATOM 0 HA MET A 1 0.265 29.091 24.496 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.046 27.990 26.323 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.154 26.856 24.991 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.563 29.887 24.847 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.784 28.654 24.603 1.00 1.00 H new ATOM 0 HE1 MET A 1 3.072 26.937 21.406 1.00 1.00 H new ATOM 0 HE2 MET A 1 3.717 26.888 23.064 1.00 1.00 H new ATOM 0 HE3 MET A 1 2.037 26.392 22.747 1.00 1.00 H new ATOM 20 N GLN A 2 -0.262 27.468 22.661 1.00 1.00 N ATOM 21 CA GLN A 2 -0.830 26.589 21.622 1.00 1.00 C ATOM 22 C GLN A 2 0.241 25.937 20.738 1.00 1.00 C ATOM 23 O GLN A 2 1.103 26.606 20.166 1.00 1.00 O ATOM 24 CB GLN A 2 -1.802 27.418 20.739 1.00 1.00 C ATOM 25 CG GLN A 2 -3.263 27.004 20.982 1.00 1.00 C ATOM 26 CD GLN A 2 -3.502 25.586 20.457 1.00 1.00 C ATOM 27 OE1 GLN A 2 -3.178 25.288 19.307 1.00 1.00 O ATOM 28 NE2 GLN A 2 -4.055 24.688 21.232 1.00 1.00 N ATOM 0 H GLN A 2 0.042 28.381 22.322 1.00 1.00 H new ATOM 0 HA GLN A 2 -1.356 25.779 22.128 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -1.681 28.479 20.957 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.552 27.278 19.687 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -3.489 27.049 22.047 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -3.935 27.703 20.484 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -4.324 24.933 22.185 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -4.217 23.743 20.883 1.00 1.00 H new ATOM 37 N TYR A 3 0.123 24.608 20.620 1.00 1.00 N ATOM 38 CA TYR A 3 1.019 23.802 19.790 1.00 1.00 C ATOM 39 C TYR A 3 0.224 23.120 18.701 1.00 1.00 C ATOM 40 O TYR A 3 -0.991 22.949 18.826 1.00 1.00 O ATOM 41 CB TYR A 3 1.702 22.730 20.623 1.00 1.00 C ATOM 42 CG TYR A 3 2.276 23.368 21.837 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.451 23.592 22.941 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.619 23.750 21.863 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.970 24.197 24.076 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.139 24.352 23.002 1.00 1.00 C ATOM 47 CZ TYR A 3 3.310 24.572 24.106 1.00 1.00 C ATOM 48 OH TYR A 3 3.816 25.182 25.228 1.00 1.00 O ATOM 0 H TYR A 3 -0.596 24.065 21.098 1.00 1.00 H new ATOM 0 HA TYR A 3 1.771 24.463 19.359 1.00 1.00 H new ATOM 0 HB2 TYR A 3 0.987 21.956 20.904 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.487 22.244 20.044 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.413 23.295 22.911 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.249 23.579 21.003 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.337 24.376 24.933 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.177 24.648 23.034 1.00 1.00 H new ATOM 0 HH TYR A 3 4.534 25.797 24.970 1.00 1.00 H new ATOM 58 N LYS A 4 0.906 22.697 17.640 1.00 1.00 N ATOM 59 CA LYS A 4 0.238 21.998 16.538 1.00 1.00 C ATOM 60 C LYS A 4 1.037 20.753 16.177 1.00 1.00 C ATOM 61 O LYS A 4 2.258 20.737 16.271 1.00 1.00 O ATOM 62 CB LYS A 4 0.104 22.935 15.320 1.00 1.00 C ATOM 63 CG LYS A 4 -1.126 22.562 14.471 1.00 1.00 C ATOM 64 CD LYS A 4 -1.317 23.632 13.389 1.00 1.00 C ATOM 65 CE LYS A 4 -2.641 23.418 12.653 1.00 1.00 C ATOM 66 NZ LYS A 4 -2.587 22.148 11.880 1.00 1.00 N ATOM 0 H LYS A 4 1.911 22.823 17.517 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.764 21.699 16.846 1.00 1.00 H new ATOM 0 HB2 LYS A 4 0.017 23.968 15.658 1.00 1.00 H new ATOM 0 HB3 LYS A 4 1.004 22.874 14.709 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -0.987 21.582 14.014 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -2.014 22.497 15.100 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.302 24.623 13.842 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -0.490 23.593 12.680 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -3.464 23.385 13.367 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -2.834 24.255 11.982 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -2.777 22.344 10.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -1.643 21.722 11.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -3.303 21.488 12.245 1.00 1.00 H new ATOM 80 N LEU A 5 0.332 19.703 15.787 1.00 1.00 N ATOM 81 CA LEU A 5 0.970 18.437 15.434 1.00 1.00 C ATOM 82 C LEU A 5 0.768 18.163 13.946 1.00 1.00 C ATOM 83 O LEU A 5 -0.352 18.231 13.449 1.00 1.00 O ATOM 84 CB LEU A 5 0.322 17.310 16.263 1.00 1.00 C ATOM 85 CG LEU A 5 1.237 16.059 16.420 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.374 14.836 16.760 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.035 15.739 15.145 1.00 1.00 C ATOM 0 H LEU A 5 -0.685 19.699 15.706 1.00 1.00 H new ATOM 0 HA LEU A 5 2.038 18.484 15.645 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.070 17.694 17.251 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.613 17.011 15.789 1.00 1.00 H new ATOM 0 HG LEU A 5 1.946 16.286 17.216 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.012 13.959 16.870 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.160 15.016 17.693 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.344 14.663 15.958 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.654 14.858 15.315 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.346 15.545 14.323 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.672 16.587 14.892 1.00 1.00 H new ATOM 99 N ILE A 6 1.848 17.797 13.260 1.00 1.00 N ATOM 100 CA ILE A 6 1.780 17.440 11.835 1.00 1.00 C ATOM 101 C ILE A 6 1.920 15.946 11.710 1.00 1.00 C ATOM 102 O ILE A 6 2.828 15.344 12.274 1.00 1.00 O ATOM 103 CB ILE A 6 2.889 18.103 11.043 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.810 19.616 11.246 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.762 17.755 9.555 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.441 20.163 10.802 1.00 1.00 C ATOM 0 H ILE A 6 2.783 17.738 13.663 1.00 1.00 H new ATOM 0 HA ILE A 6 0.825 17.782 11.437 1.00 1.00 H new ATOM 0 HB ILE A 6 3.855 17.740 11.394 1.00 1.00 H new ATOM 0 HG12 ILE A 6 2.977 19.855 12.296 1.00 1.00 H new ATOM 0 HG13 ILE A 6 3.602 20.104 10.678 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.565 18.238 8.999 1.00 1.00 H new ATOM 0 HG22 ILE A 6 2.831 16.675 9.427 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.800 18.104 9.180 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.412 21.241 10.957 1.00 1.00 H new ATOM 0 HD12 ILE A 6 1.287 19.944 9.745 1.00 1.00 H new ATOM 0 HD13 ILE A 6 0.653 19.691 11.389 1.00 1.00 H new ATOM 118 N LEU A 7 0.985 15.332 11.018 1.00 1.00 N ATOM 119 CA LEU A 7 0.978 13.901 10.880 1.00 1.00 C ATOM 120 C LEU A 7 1.339 13.395 9.502 1.00 1.00 C ATOM 121 O LEU A 7 0.656 13.692 8.520 1.00 1.00 O ATOM 122 CB LEU A 7 -0.435 13.452 11.197 1.00 1.00 C ATOM 123 CG LEU A 7 -0.729 13.777 12.671 1.00 1.00 C ATOM 124 CD1 LEU A 7 -2.237 13.998 12.881 1.00 1.00 C ATOM 125 CD2 LEU A 7 -0.218 12.621 13.548 1.00 1.00 C ATOM 0 H LEU A 7 0.219 15.808 10.542 1.00 1.00 H new ATOM 0 HA LEU A 7 1.738 13.499 11.550 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -1.149 13.959 10.547 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.543 12.383 11.016 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.216 14.696 12.954 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.429 14.227 13.929 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.573 14.829 12.261 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.779 13.095 12.602 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.422 12.842 14.596 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -0.726 11.699 13.266 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.856 12.503 13.404 1.00 1.00 H new ATOM 137 N ASN A 8 2.351 12.540 9.456 1.00 1.00 N ATOM 138 CA ASN A 8 2.754 11.879 8.228 1.00 1.00 C ATOM 139 C ASN A 8 2.777 10.380 8.510 1.00 1.00 C ATOM 140 O ASN A 8 3.813 9.727 8.393 1.00 1.00 O ATOM 141 CB ASN A 8 4.148 12.347 7.786 1.00 1.00 C ATOM 142 CG ASN A 8 4.347 13.820 8.107 1.00 1.00 C ATOM 143 OD1 ASN A 8 3.413 14.614 7.999 1.00 1.00 O ATOM 144 ND2 ASN A 8 5.524 14.230 8.491 1.00 1.00 N ATOM 0 H ASN A 8 2.913 12.287 10.269 1.00 1.00 H new ATOM 0 HA ASN A 8 2.057 12.119 7.425 1.00 1.00 H new ATOM 0 HB2 ASN A 8 4.912 11.754 8.288 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.270 12.183 6.715 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.676 15.216 8.705 1.00 1.00 H new ATOM 0 HD22 ASN A 8 6.292 13.565 8.578 1.00 1.00 H new ATOM 151 N GLY A 9 1.638 9.822 8.898 1.00 1.00 N ATOM 152 CA GLY A 9 1.597 8.400 9.202 1.00 1.00 C ATOM 153 C GLY A 9 1.247 7.584 7.981 1.00 1.00 C ATOM 154 O GLY A 9 0.647 8.080 7.029 1.00 1.00 O ATOM 0 H GLY A 9 0.753 10.317 9.007 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.565 8.081 9.589 1.00 1.00 H new ATOM 0 HA3 GLY A 9 0.864 8.215 9.987 1.00 1.00 H new ATOM 158 N LYS A 10 1.635 6.324 8.018 1.00 1.00 N ATOM 159 CA LYS A 10 1.351 5.449 6.889 1.00 1.00 C ATOM 160 C LYS A 10 -0.137 5.111 6.867 1.00 1.00 C ATOM 161 O LYS A 10 -0.713 4.881 5.804 1.00 1.00 O ATOM 162 CB LYS A 10 2.206 4.179 6.985 1.00 1.00 C ATOM 163 CG LYS A 10 1.984 3.497 8.335 1.00 1.00 C ATOM 164 CD LYS A 10 2.959 2.329 8.472 1.00 1.00 C ATOM 165 CE LYS A 10 2.775 1.658 9.833 1.00 1.00 C ATOM 166 NZ LYS A 10 3.765 0.549 9.968 1.00 1.00 N ATOM 0 H LYS A 10 2.135 5.889 8.793 1.00 1.00 H new ATOM 0 HA LYS A 10 1.603 5.956 5.958 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.947 3.495 6.176 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.260 4.431 6.865 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.135 4.210 9.146 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.957 3.140 8.412 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.789 1.606 7.674 1.00 1.00 H new ATOM 0 HD3 LYS A 10 3.984 2.685 8.367 1.00 1.00 H new ATOM 0 HE2 LYS A 10 2.914 2.385 10.633 1.00 1.00 H new ATOM 0 HE3 LYS A 10 1.761 1.270 9.927 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.646 0.088 10.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.612 -0.147 9.211 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.729 0.933 9.895 1.00 1.00 H new ATOM 180 N THR A 11 -0.764 5.115 8.046 1.00 1.00 N ATOM 181 CA THR A 11 -2.200 4.841 8.159 1.00 1.00 C ATOM 182 C THR A 11 -2.959 6.089 8.623 1.00 1.00 C ATOM 183 O THR A 11 -4.174 6.184 8.457 1.00 1.00 O ATOM 184 CB THR A 11 -2.425 3.694 9.154 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.584 3.878 10.285 1.00 1.00 O ATOM 186 CG2 THR A 11 -2.093 2.362 8.476 1.00 1.00 C ATOM 0 H THR A 11 -0.301 5.305 8.935 1.00 1.00 H new ATOM 0 HA THR A 11 -2.579 4.556 7.178 1.00 1.00 H new ATOM 0 HB THR A 11 -3.466 3.687 9.476 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.728 3.147 10.922 1.00 1.00 H new ATOM 0 HG21 THR A 11 -2.252 1.546 9.180 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.739 2.224 7.609 1.00 1.00 H new ATOM 0 HG23 THR A 11 -1.051 2.367 8.155 1.00 1.00 H new ATOM 194 N LEU A 12 -2.234 7.031 9.242 1.00 1.00 N ATOM 195 CA LEU A 12 -2.848 8.251 9.766 1.00 1.00 C ATOM 196 C LEU A 12 -2.101 9.506 9.315 1.00 1.00 C ATOM 197 O LEU A 12 -0.909 9.652 9.566 1.00 1.00 O ATOM 198 CB LEU A 12 -2.854 8.148 11.286 1.00 1.00 C ATOM 199 CG LEU A 12 -3.641 9.315 11.892 1.00 1.00 C ATOM 200 CD1 LEU A 12 -4.035 8.948 13.329 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.788 10.607 11.881 1.00 1.00 C ATOM 0 H LEU A 12 -1.227 6.969 9.390 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.863 8.341 9.379 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.300 7.201 11.592 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.831 8.155 11.662 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.537 9.499 11.300 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.596 9.770 13.774 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.653 8.050 13.319 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.136 8.763 13.917 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -3.362 11.426 12.315 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.882 10.450 12.466 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.519 10.857 10.855 1.00 1.00 H new ATOM 213 N LYS A 13 -2.826 10.413 8.653 1.00 1.00 N ATOM 214 CA LYS A 13 -2.251 11.669 8.168 1.00 1.00 C ATOM 215 C LYS A 13 -3.171 12.848 8.459 1.00 1.00 C ATOM 216 O LYS A 13 -4.386 12.697 8.576 1.00 1.00 O ATOM 217 CB LYS A 13 -2.003 11.577 6.650 1.00 1.00 C ATOM 218 CG LYS A 13 -0.576 11.058 6.366 1.00 1.00 C ATOM 219 CD LYS A 13 -0.571 10.205 5.086 1.00 1.00 C ATOM 220 CE LYS A 13 -1.395 8.907 5.291 1.00 1.00 C ATOM 221 NZ LYS A 13 -1.673 8.677 6.744 1.00 1.00 N ATOM 0 H LYS A 13 -3.817 10.299 8.441 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.308 11.831 8.690 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -2.736 10.911 6.195 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -2.137 12.558 6.193 1.00 1.00 H new ATOM 0 HG2 LYS A 13 0.110 11.898 6.256 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.221 10.465 7.209 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -0.987 10.779 4.258 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.454 9.952 4.815 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -2.335 8.977 4.743 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -0.850 8.057 4.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -2.058 7.720 6.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -0.791 8.773 7.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -2.364 9.378 7.080 1.00 1.00 H new ATOM 235 N GLY A 14 -2.568 14.029 8.543 1.00 1.00 N ATOM 236 CA GLY A 14 -3.314 15.256 8.794 1.00 1.00 C ATOM 237 C GLY A 14 -2.612 16.114 9.834 1.00 1.00 C ATOM 238 O GLY A 14 -1.385 16.181 9.881 1.00 1.00 O ATOM 0 H GLY A 14 -1.562 14.162 8.441 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.421 15.817 7.866 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.319 15.012 9.137 1.00 1.00 H new ATOM 242 N GLU A 15 -3.409 16.801 10.660 1.00 1.00 N ATOM 243 CA GLU A 15 -2.869 17.680 11.693 1.00 1.00 C ATOM 244 C GLU A 15 -3.756 17.656 12.934 1.00 1.00 C ATOM 245 O GLU A 15 -4.938 17.319 12.863 1.00 1.00 O ATOM 246 CB GLU A 15 -2.777 19.133 11.189 1.00 1.00 C ATOM 247 CG GLU A 15 -1.678 19.291 10.117 1.00 1.00 C ATOM 248 CD GLU A 15 -2.229 19.092 8.708 1.00 1.00 C ATOM 249 OE1 GLU A 15 -3.383 18.715 8.585 1.00 1.00 O ATOM 250 OE2 GLU A 15 -1.482 19.316 7.770 1.00 1.00 O ATOM 0 H GLU A 15 -4.428 16.763 10.630 1.00 1.00 H new ATOM 0 HA GLU A 15 -1.872 17.316 11.940 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.738 19.437 10.774 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.567 19.797 12.027 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -1.232 20.283 10.196 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -0.883 18.569 10.302 1.00 1.00 H new ATOM 257 N THR A 16 -3.164 18.012 14.069 1.00 1.00 N ATOM 258 CA THR A 16 -3.875 18.026 15.351 1.00 1.00 C ATOM 259 C THR A 16 -3.347 19.188 16.208 1.00 1.00 C ATOM 260 O THR A 16 -2.187 19.566 16.079 1.00 1.00 O ATOM 261 CB THR A 16 -3.665 16.653 16.027 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.747 15.799 15.687 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.574 16.776 17.547 1.00 1.00 C ATOM 0 H THR A 16 -2.187 18.297 14.131 1.00 1.00 H new ATOM 0 HA THR A 16 -4.945 18.184 15.217 1.00 1.00 H new ATOM 0 HB THR A 16 -2.722 16.239 15.670 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.494 14.867 15.855 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.426 15.788 17.984 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.734 17.418 17.810 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.497 17.209 17.933 1.00 1.00 H new ATOM 271 N THR A 17 -4.204 19.774 17.059 1.00 1.00 N ATOM 272 CA THR A 17 -3.782 20.921 17.896 1.00 1.00 C ATOM 273 C THR A 17 -4.188 20.768 19.363 1.00 1.00 C ATOM 274 O THR A 17 -5.276 20.283 19.678 1.00 1.00 O ATOM 275 CB THR A 17 -4.368 22.218 17.328 1.00 1.00 C ATOM 276 OG1 THR A 17 -4.033 23.309 18.175 1.00 1.00 O ATOM 277 CG2 THR A 17 -5.891 22.114 17.227 1.00 1.00 C ATOM 0 H THR A 17 -5.174 19.485 17.189 1.00 1.00 H new ATOM 0 HA THR A 17 -2.693 20.954 17.869 1.00 1.00 H new ATOM 0 HB THR A 17 -3.951 22.380 16.334 1.00 1.00 H new ATOM 0 HG1 THR A 17 -3.464 23.940 17.686 1.00 1.00 H new ATOM 0 HG21 THR A 17 -6.293 23.043 16.822 1.00 1.00 H new ATOM 0 HG22 THR A 17 -6.156 21.286 16.569 1.00 1.00 H new ATOM 0 HG23 THR A 17 -6.310 21.939 18.218 1.00 1.00 H new ATOM 285 N THR A 18 -3.287 21.202 20.252 1.00 1.00 N ATOM 286 CA THR A 18 -3.518 21.137 21.696 1.00 1.00 C ATOM 287 C THR A 18 -2.817 22.290 22.404 1.00 1.00 C ATOM 288 O THR A 18 -1.765 22.755 21.960 1.00 1.00 O ATOM 289 CB THR A 18 -3.007 19.803 22.256 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.735 19.481 23.433 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.511 19.888 22.603 1.00 1.00 C ATOM 0 H THR A 18 -2.386 21.604 19.992 1.00 1.00 H new ATOM 0 HA THR A 18 -4.591 21.214 21.873 1.00 1.00 H new ATOM 0 HB THR A 18 -3.147 19.034 21.497 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.413 18.628 23.794 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.174 18.930 22.998 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.942 20.131 21.705 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.355 20.664 23.352 1.00 1.00 H new ATOM 299 N GLU A 19 -3.371 22.718 23.528 1.00 1.00 N ATOM 300 CA GLU A 19 -2.756 23.781 24.299 1.00 1.00 C ATOM 301 C GLU A 19 -2.022 23.164 25.475 1.00 1.00 C ATOM 302 O GLU A 19 -2.525 22.243 26.121 1.00 1.00 O ATOM 303 CB GLU A 19 -3.817 24.756 24.794 1.00 1.00 C ATOM 304 CG GLU A 19 -3.142 26.055 25.232 1.00 1.00 C ATOM 305 CD GLU A 19 -4.164 26.961 25.915 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.346 26.681 25.800 1.00 1.00 O ATOM 307 OE2 GLU A 19 -3.747 27.918 26.547 1.00 1.00 O ATOM 0 H GLU A 19 -4.236 22.349 23.921 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.054 24.332 23.673 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.540 24.957 24.004 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.368 24.320 25.627 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.321 25.837 25.915 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.712 26.562 24.368 1.00 1.00 H new ATOM 314 N ALA A 20 -0.817 23.647 25.727 1.00 1.00 N ATOM 315 CA ALA A 20 0.007 23.111 26.805 1.00 1.00 C ATOM 316 C ALA A 20 0.754 24.226 27.524 1.00 1.00 C ATOM 317 O ALA A 20 0.876 25.342 27.018 1.00 1.00 O ATOM 318 CB ALA A 20 0.996 22.076 26.233 1.00 1.00 C ATOM 0 H ALA A 20 -0.385 24.408 25.203 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.641 22.622 27.533 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.611 21.676 27.039 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.441 21.264 25.763 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.636 22.555 25.492 1.00 1.00 H new ATOM 324 N VAL A 21 1.272 23.897 28.692 1.00 1.00 N ATOM 325 CA VAL A 21 2.033 24.848 29.468 1.00 1.00 C ATOM 326 C VAL A 21 3.343 25.121 28.753 1.00 1.00 C ATOM 327 O VAL A 21 3.813 26.257 28.686 1.00 1.00 O ATOM 328 CB VAL A 21 2.324 24.276 30.854 1.00 1.00 C ATOM 329 CG1 VAL A 21 3.035 22.929 30.723 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.215 25.249 31.623 1.00 1.00 C ATOM 0 H VAL A 21 1.178 22.977 29.122 1.00 1.00 H new ATOM 0 HA VAL A 21 1.463 25.771 29.577 1.00 1.00 H new ATOM 0 HB VAL A 21 1.385 24.133 31.390 1.00 1.00 H new ATOM 0 HG11 VAL A 21 3.239 22.527 31.716 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.400 22.234 30.174 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.974 23.064 30.186 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.425 24.845 32.613 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.151 25.390 31.082 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.706 26.207 31.723 1.00 1.00 H new ATOM 340 N ASP A 22 3.921 24.056 28.222 1.00 1.00 N ATOM 341 CA ASP A 22 5.185 24.149 27.503 1.00 1.00 C ATOM 342 C ASP A 22 5.298 23.002 26.498 1.00 1.00 C ATOM 343 O ASP A 22 4.373 22.203 26.352 1.00 1.00 O ATOM 344 CB ASP A 22 6.345 24.069 28.502 1.00 1.00 C ATOM 345 CG ASP A 22 6.340 22.716 29.215 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.618 21.835 28.781 1.00 1.00 O ATOM 347 OD2 ASP A 22 7.059 22.585 30.192 1.00 1.00 O ATOM 0 H ASP A 22 3.535 23.113 28.275 1.00 1.00 H new ATOM 0 HA ASP A 22 5.225 25.098 26.968 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.292 24.210 27.982 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.260 24.873 29.233 1.00 1.00 H new ATOM 352 N ALA A 23 6.440 22.919 25.821 1.00 1.00 N ATOM 353 CA ALA A 23 6.677 21.855 24.850 1.00 1.00 C ATOM 354 C ALA A 23 6.865 20.524 25.570 1.00 1.00 C ATOM 355 O ALA A 23 6.409 19.477 25.109 1.00 1.00 O ATOM 356 CB ALA A 23 7.921 22.178 24.021 1.00 1.00 C ATOM 0 H ALA A 23 7.214 23.574 25.927 1.00 1.00 H new ATOM 0 HA ALA A 23 5.815 21.780 24.187 1.00 1.00 H new ATOM 0 HB1 ALA A 23 8.093 21.381 23.298 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.772 23.120 23.494 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.785 22.263 24.680 1.00 1.00 H new ATOM 362 N ALA A 24 7.520 20.583 26.728 1.00 1.00 N ATOM 363 CA ALA A 24 7.752 19.386 27.533 1.00 1.00 C ATOM 364 C ALA A 24 6.434 18.656 27.763 1.00 1.00 C ATOM 365 O ALA A 24 6.393 17.435 27.880 1.00 1.00 O ATOM 366 CB ALA A 24 8.343 19.779 28.888 1.00 1.00 C ATOM 0 H ALA A 24 7.898 21.442 27.128 1.00 1.00 H new ATOM 0 HA ALA A 24 8.447 18.735 27.003 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.514 18.883 29.484 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.289 20.299 28.735 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.648 20.436 29.411 1.00 1.00 H new ATOM 372 N THR A 25 5.359 19.433 27.839 1.00 1.00 N ATOM 373 CA THR A 25 4.034 18.898 28.071 1.00 1.00 C ATOM 374 C THR A 25 3.367 18.499 26.752 1.00 1.00 C ATOM 375 O THR A 25 2.916 17.366 26.592 1.00 1.00 O ATOM 376 CB THR A 25 3.209 19.959 28.788 1.00 1.00 C ATOM 377 OG1 THR A 25 3.979 20.504 29.849 1.00 1.00 O ATOM 378 CG2 THR A 25 1.941 19.332 29.345 1.00 1.00 C ATOM 0 H THR A 25 5.387 20.448 27.741 1.00 1.00 H new ATOM 0 HA THR A 25 4.103 18.000 28.685 1.00 1.00 H new ATOM 0 HB THR A 25 2.937 20.749 28.088 1.00 1.00 H new ATOM 0 HG1 THR A 25 4.547 21.225 29.505 1.00 1.00 H new ATOM 0 HG21 THR A 25 1.353 20.094 29.857 1.00 1.00 H new ATOM 0 HG22 THR A 25 1.355 18.910 28.529 1.00 1.00 H new ATOM 0 HG23 THR A 25 2.204 18.543 30.049 1.00 1.00 H new ATOM 386 N ALA A 26 3.312 19.439 25.814 1.00 1.00 N ATOM 387 CA ALA A 26 2.690 19.180 24.517 1.00 1.00 C ATOM 388 C ALA A 26 3.308 17.962 23.822 1.00 1.00 C ATOM 389 O ALA A 26 2.606 17.217 23.136 1.00 1.00 O ATOM 390 CB ALA A 26 2.835 20.414 23.623 1.00 1.00 C ATOM 0 H ALA A 26 3.687 20.381 25.925 1.00 1.00 H new ATOM 0 HA ALA A 26 1.635 18.965 24.688 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.371 20.219 22.656 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.345 21.265 24.096 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.892 20.637 23.479 1.00 1.00 H new ATOM 396 N GLU A 27 4.613 17.770 23.987 1.00 1.00 N ATOM 397 CA GLU A 27 5.304 16.642 23.346 1.00 1.00 C ATOM 398 C GLU A 27 4.738 15.296 23.799 1.00 1.00 C ATOM 399 O GLU A 27 4.491 14.411 22.982 1.00 1.00 O ATOM 400 CB GLU A 27 6.831 16.717 23.624 1.00 1.00 C ATOM 401 CG GLU A 27 7.214 16.047 24.956 1.00 1.00 C ATOM 402 CD GLU A 27 8.688 16.299 25.275 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.484 16.291 24.352 1.00 1.00 O ATOM 404 OE2 GLU A 27 8.993 16.498 26.439 1.00 1.00 O ATOM 0 H GLU A 27 5.214 18.371 24.552 1.00 1.00 H new ATOM 0 HA GLU A 27 5.136 16.718 22.272 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.371 16.235 22.809 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.144 17.761 23.641 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.590 16.437 25.760 1.00 1.00 H new ATOM 0 HG3 GLU A 27 7.026 14.975 24.898 1.00 1.00 H new ATOM 411 N LYS A 28 4.545 15.149 25.099 1.00 1.00 N ATOM 412 CA LYS A 28 4.035 13.898 25.645 1.00 1.00 C ATOM 413 C LYS A 28 2.564 13.702 25.291 1.00 1.00 C ATOM 414 O LYS A 28 2.101 12.574 25.129 1.00 1.00 O ATOM 415 CB LYS A 28 4.205 13.899 27.166 1.00 1.00 C ATOM 416 CG LYS A 28 5.685 13.682 27.512 1.00 1.00 C ATOM 417 CD LYS A 28 5.896 13.729 29.036 1.00 1.00 C ATOM 418 CE LYS A 28 6.058 15.184 29.511 1.00 1.00 C ATOM 419 NZ LYS A 28 6.053 15.231 31.017 1.00 1.00 N ATOM 0 H LYS A 28 4.731 15.873 25.793 1.00 1.00 H new ATOM 0 HA LYS A 28 4.602 13.075 25.209 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.858 14.845 27.582 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.596 13.112 27.612 1.00 1.00 H new ATOM 0 HG2 LYS A 28 6.018 12.720 27.123 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.293 14.448 27.031 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.048 13.267 29.541 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.780 13.151 29.305 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.990 15.600 29.128 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.249 15.798 29.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.163 16.215 31.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.153 14.851 31.373 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.840 14.659 31.385 1.00 1.00 H new ATOM 433 N VAL A 29 1.834 14.801 25.176 1.00 1.00 N ATOM 434 CA VAL A 29 0.413 14.727 24.855 1.00 1.00 C ATOM 435 C VAL A 29 0.205 14.285 23.405 1.00 1.00 C ATOM 436 O VAL A 29 -0.674 13.472 23.120 1.00 1.00 O ATOM 437 CB VAL A 29 -0.236 16.100 25.057 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.694 16.063 24.595 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.185 16.477 26.540 1.00 1.00 C ATOM 0 H VAL A 29 2.195 15.747 25.298 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.048 13.995 25.518 1.00 1.00 H new ATOM 0 HB VAL A 29 0.308 16.840 24.470 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.147 17.043 24.742 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.734 15.800 23.538 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.241 15.320 25.175 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.647 17.454 26.683 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.725 15.731 27.124 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.853 16.515 26.870 1.00 1.00 H new ATOM 449 N PHE A 30 0.991 14.833 22.485 1.00 1.00 N ATOM 450 CA PHE A 30 0.840 14.479 21.074 1.00 1.00 C ATOM 451 C PHE A 30 1.265 13.044 20.810 1.00 1.00 C ATOM 452 O PHE A 30 0.660 12.348 19.994 1.00 1.00 O ATOM 453 CB PHE A 30 1.688 15.380 20.181 1.00 1.00 C ATOM 454 CG PHE A 30 1.149 16.801 20.126 1.00 1.00 C ATOM 455 CD1 PHE A 30 -0.176 17.067 19.735 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.002 17.880 20.413 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.641 18.380 19.637 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.536 19.194 20.298 1.00 1.00 C ATOM 459 CZ PHE A 30 0.213 19.439 19.910 1.00 1.00 C ATOM 0 H PHE A 30 1.727 15.512 22.682 1.00 1.00 H new ATOM 0 HA PHE A 30 -0.218 14.605 20.842 1.00 1.00 H new ATOM 0 HB2 PHE A 30 2.713 15.396 20.551 1.00 1.00 H new ATOM 0 HB3 PHE A 30 1.719 14.965 19.173 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.841 16.247 19.508 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.020 17.695 20.723 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.664 18.571 19.349 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.198 20.021 20.509 1.00 1.00 H new ATOM 0 HZ PHE A 30 -0.144 20.455 19.823 1.00 1.00 H new ATOM 469 N LYS A 31 2.327 12.621 21.472 1.00 1.00 N ATOM 470 CA LYS A 31 2.843 11.286 21.279 1.00 1.00 C ATOM 471 C LYS A 31 1.823 10.289 21.799 1.00 1.00 C ATOM 472 O LYS A 31 1.582 9.247 21.189 1.00 1.00 O ATOM 473 CB LYS A 31 4.176 11.159 22.009 1.00 1.00 C ATOM 474 CG LYS A 31 5.196 12.049 21.288 1.00 1.00 C ATOM 475 CD LYS A 31 6.475 12.164 22.115 1.00 1.00 C ATOM 476 CE LYS A 31 7.424 13.136 21.415 1.00 1.00 C ATOM 477 NZ LYS A 31 8.575 13.443 22.305 1.00 1.00 N ATOM 0 H LYS A 31 2.845 13.185 22.146 1.00 1.00 H new ATOM 0 HA LYS A 31 3.015 11.082 20.222 1.00 1.00 H new ATOM 0 HB2 LYS A 31 4.071 11.465 23.050 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.511 10.122 22.014 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.425 11.631 20.308 1.00 1.00 H new ATOM 0 HG3 LYS A 31 4.772 13.039 21.122 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.245 12.518 23.120 1.00 1.00 H new ATOM 0 HD3 LYS A 31 6.946 11.187 22.221 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.780 12.702 20.481 1.00 1.00 H new ATOM 0 HE3 LYS A 31 6.895 14.054 21.159 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 9.218 14.105 21.825 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.228 13.875 23.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 9.085 12.565 22.528 1.00 1.00 H new ATOM 491 N GLN A 32 1.180 10.654 22.897 1.00 1.00 N ATOM 492 CA GLN A 32 0.138 9.812 23.449 1.00 1.00 C ATOM 493 C GLN A 32 -0.968 9.661 22.414 1.00 1.00 C ATOM 494 O GLN A 32 -1.463 8.568 22.174 1.00 1.00 O ATOM 495 CB GLN A 32 -0.448 10.414 24.726 1.00 1.00 C ATOM 496 CG GLN A 32 -1.662 9.571 25.152 1.00 1.00 C ATOM 497 CD GLN A 32 -2.071 9.928 26.571 1.00 1.00 C ATOM 498 OE1 GLN A 32 -2.945 9.281 27.147 1.00 1.00 O ATOM 499 NE2 GLN A 32 -1.482 10.934 27.175 1.00 1.00 N ATOM 0 H GLN A 32 1.359 11.514 23.415 1.00 1.00 H new ATOM 0 HA GLN A 32 0.570 8.843 23.698 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.301 10.426 25.518 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -0.747 11.448 24.555 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.494 9.746 24.470 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.418 8.510 25.091 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -0.758 11.466 26.692 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -1.748 11.183 28.128 1.00 1.00 H new ATOM 508 N TYR A 33 -1.360 10.783 21.825 1.00 1.00 N ATOM 509 CA TYR A 33 -2.424 10.794 20.833 1.00 1.00 C ATOM 510 C TYR A 33 -2.059 9.882 19.656 1.00 1.00 C ATOM 511 O TYR A 33 -2.839 9.002 19.271 1.00 1.00 O ATOM 512 CB TYR A 33 -2.640 12.256 20.386 1.00 1.00 C ATOM 513 CG TYR A 33 -3.089 12.357 18.944 1.00 1.00 C ATOM 514 CD1 TYR A 33 -2.130 12.447 17.929 1.00 1.00 C ATOM 515 CD2 TYR A 33 -4.448 12.372 18.625 1.00 1.00 C ATOM 516 CE1 TYR A 33 -2.525 12.550 16.596 1.00 1.00 C ATOM 517 CE2 TYR A 33 -4.846 12.473 17.286 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.884 12.567 16.271 1.00 1.00 C ATOM 519 OH TYR A 33 -4.281 12.657 14.951 1.00 1.00 O ATOM 0 H TYR A 33 -0.955 11.699 22.018 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.353 10.408 21.253 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.385 12.724 21.030 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.712 12.814 20.515 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -1.079 12.437 18.179 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.189 12.306 19.408 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.782 12.617 15.815 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -5.896 12.478 17.035 1.00 1.00 H new ATOM 0 HH TYR A 33 -5.260 12.655 14.903 1.00 1.00 H new ATOM 529 N ALA A 34 -0.887 10.085 19.085 1.00 1.00 N ATOM 530 CA ALA A 34 -0.444 9.263 17.975 1.00 1.00 C ATOM 531 C ALA A 34 -0.342 7.801 18.419 1.00 1.00 C ATOM 532 O ALA A 34 -0.738 6.892 17.696 1.00 1.00 O ATOM 533 CB ALA A 34 0.918 9.785 17.480 1.00 1.00 C ATOM 0 H ALA A 34 -0.227 10.809 19.370 1.00 1.00 H new ATOM 0 HA ALA A 34 -1.163 9.318 17.158 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.260 9.174 16.645 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.814 10.820 17.153 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.645 9.732 18.291 1.00 1.00 H new ATOM 539 N ASN A 35 0.207 7.569 19.617 1.00 1.00 N ATOM 540 CA ASN A 35 0.343 6.204 20.105 1.00 1.00 C ATOM 541 C ASN A 35 -1.043 5.637 20.380 1.00 1.00 C ATOM 542 O ASN A 35 -1.358 4.509 20.000 1.00 1.00 O ATOM 543 CB ASN A 35 1.193 6.174 21.379 1.00 1.00 C ATOM 544 CG ASN A 35 1.252 4.757 21.926 1.00 1.00 C ATOM 545 OD1 ASN A 35 0.348 4.319 22.637 1.00 1.00 O ATOM 546 ND2 ASN A 35 2.265 3.993 21.610 1.00 1.00 N ATOM 0 H ASN A 35 0.554 8.292 20.248 1.00 1.00 H new ATOM 0 HA ASN A 35 0.843 5.596 19.351 1.00 1.00 H new ATOM 0 HB2 ASN A 35 2.200 6.533 21.164 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.768 6.845 22.126 1.00 1.00 H new ATOM 0 HD21 ASN A 35 2.306 3.033 21.953 1.00 1.00 H new ATOM 0 HD22 ASN A 35 3.014 4.357 21.021 1.00 1.00 H new ATOM 553 N ASP A 36 -1.871 6.471 21.003 1.00 1.00 N ATOM 554 CA ASP A 36 -3.249 6.139 21.315 1.00 1.00 C ATOM 555 C ASP A 36 -4.033 5.974 20.026 1.00 1.00 C ATOM 556 O ASP A 36 -5.154 5.465 20.044 1.00 1.00 O ATOM 557 CB ASP A 36 -3.893 7.226 22.157 1.00 1.00 C ATOM 558 CG ASP A 36 -3.263 7.263 23.541 1.00 1.00 C ATOM 559 OD1 ASP A 36 -2.215 6.665 23.716 1.00 1.00 O ATOM 560 OD2 ASP A 36 -3.855 7.870 24.420 1.00 1.00 O ATOM 0 H ASP A 36 -1.597 7.405 21.307 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.259 5.208 21.882 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -3.772 8.193 21.669 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -4.964 7.043 22.242 1.00 1.00 H new ATOM 565 N ASN A 37 -3.444 6.392 18.889 1.00 1.00 N ATOM 566 CA ASN A 37 -4.144 6.245 17.600 1.00 1.00 C ATOM 567 C ASN A 37 -3.468 5.204 16.703 1.00 1.00 C ATOM 568 O ASN A 37 -3.811 5.087 15.528 1.00 1.00 O ATOM 569 CB ASN A 37 -4.164 7.593 16.876 1.00 1.00 C ATOM 570 CG ASN A 37 -5.129 8.551 17.565 1.00 1.00 C ATOM 571 OD1 ASN A 37 -5.842 8.169 18.496 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.190 9.796 17.168 1.00 1.00 N ATOM 0 H ASN A 37 -2.519 6.819 18.835 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.159 5.907 17.807 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -3.162 8.022 16.864 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.462 7.451 15.837 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.826 10.447 17.628 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.602 10.115 16.398 1.00 1.00 H new ATOM 579 N GLY A 38 -2.508 4.460 17.248 1.00 1.00 N ATOM 580 CA GLY A 38 -1.791 3.435 16.484 1.00 1.00 C ATOM 581 C GLY A 38 -0.595 4.000 15.712 1.00 1.00 C ATOM 582 O GLY A 38 0.040 3.284 14.937 1.00 1.00 O ATOM 0 H GLY A 38 -2.206 4.546 18.218 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -1.444 2.657 17.164 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.479 2.962 15.784 1.00 1.00 H new ATOM 586 N VAL A 39 -0.293 5.290 15.903 1.00 1.00 N ATOM 587 CA VAL A 39 0.829 5.883 15.174 1.00 1.00 C ATOM 588 C VAL A 39 2.134 5.753 15.961 1.00 1.00 C ATOM 589 O VAL A 39 2.228 6.149 17.121 1.00 1.00 O ATOM 590 CB VAL A 39 0.547 7.360 14.911 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.737 8.043 14.188 1.00 1.00 C ATOM 592 CG2 VAL A 39 -0.726 7.483 14.064 1.00 1.00 C ATOM 0 H VAL A 39 -0.790 5.921 16.532 1.00 1.00 H new ATOM 0 HA VAL A 39 0.939 5.347 14.231 1.00 1.00 H new ATOM 0 HB VAL A 39 0.409 7.865 15.867 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.504 9.094 14.016 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.631 7.967 14.807 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.914 7.549 13.232 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -0.935 8.535 13.872 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -0.585 6.962 13.117 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.564 7.039 14.601 1.00 1.00 H new ATOM 602 N ASP A 40 3.151 5.249 15.259 1.00 1.00 N ATOM 603 CA ASP A 40 4.498 5.103 15.791 1.00 1.00 C ATOM 604 C ASP A 40 5.458 5.545 14.694 1.00 1.00 C ATOM 605 O ASP A 40 5.606 4.837 13.694 1.00 1.00 O ATOM 606 CB ASP A 40 4.757 3.631 16.131 1.00 1.00 C ATOM 607 CG ASP A 40 6.152 3.468 16.729 1.00 1.00 C ATOM 608 OD1 ASP A 40 6.871 4.455 16.760 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.487 2.369 17.145 1.00 1.00 O ATOM 0 H ASP A 40 3.056 4.929 14.295 1.00 1.00 H new ATOM 0 HA ASP A 40 4.630 5.699 16.694 1.00 1.00 H new ATOM 0 HB2 ASP A 40 4.006 3.275 16.837 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.664 3.021 15.233 1.00 1.00 H new ATOM 614 N GLY A 41 6.114 6.684 14.842 1.00 1.00 N ATOM 615 CA GLY A 41 7.029 7.141 13.806 1.00 1.00 C ATOM 616 C GLY A 41 8.210 7.889 14.398 1.00 1.00 C ATOM 617 O GLY A 41 8.605 7.659 15.538 1.00 1.00 O ATOM 0 H GLY A 41 6.034 7.299 15.652 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.388 6.286 13.233 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.498 7.790 13.110 1.00 1.00 H new ATOM 621 N GLU A 42 8.770 8.801 13.597 1.00 1.00 N ATOM 622 CA GLU A 42 9.898 9.595 14.023 1.00 1.00 C ATOM 623 C GLU A 42 9.338 10.939 14.410 1.00 1.00 C ATOM 624 O GLU A 42 8.442 11.451 13.752 1.00 1.00 O ATOM 625 CB GLU A 42 10.901 9.740 12.884 1.00 1.00 C ATOM 626 CG GLU A 42 11.547 8.391 12.593 1.00 1.00 C ATOM 627 CD GLU A 42 12.424 8.505 11.354 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.451 9.575 10.767 1.00 1.00 O ATOM 629 OE2 GLU A 42 13.064 7.525 11.006 1.00 1.00 O ATOM 0 H GLU A 42 8.450 8.999 12.649 1.00 1.00 H new ATOM 0 HA GLU A 42 10.424 9.131 14.857 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.400 10.114 11.991 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.665 10.470 13.150 1.00 1.00 H new ATOM 0 HG2 GLU A 42 12.145 8.070 13.446 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.779 7.633 12.439 1.00 1.00 H new ATOM 636 N TRP A 43 9.836 11.474 15.510 1.00 1.00 N ATOM 637 CA TRP A 43 9.338 12.734 16.055 1.00 1.00 C ATOM 638 C TRP A 43 10.368 13.835 16.093 1.00 1.00 C ATOM 639 O TRP A 43 11.545 13.624 16.385 1.00 1.00 O ATOM 640 CB TRP A 43 8.900 12.479 17.485 1.00 1.00 C ATOM 641 CG TRP A 43 7.640 11.711 17.493 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.548 10.365 17.352 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.295 12.204 17.659 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.221 10.001 17.420 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.411 11.101 17.615 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.751 13.481 17.849 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.044 11.257 17.762 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.368 13.647 17.990 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.510 12.539 17.949 1.00 1.00 C ATOM 0 H TRP A 43 10.592 11.055 16.051 1.00 1.00 H new ATOM 0 HA TRP A 43 8.530 13.064 15.402 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.675 11.930 18.020 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.763 13.426 18.007 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.379 9.690 17.210 1.00 1.00 H new ATOM 0 HE1 TRP A 43 5.881 9.043 17.337 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.402 14.342 17.887 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.393 10.396 17.733 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.959 14.636 18.131 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.444 12.673 18.061 1.00 1.00 H new ATOM 660 N THR A 44 9.863 15.019 15.804 1.00 1.00 N ATOM 661 CA THR A 44 10.651 16.235 15.799 1.00 1.00 C ATOM 662 C THR A 44 9.828 17.379 16.381 1.00 1.00 C ATOM 663 O THR A 44 8.597 17.340 16.342 1.00 1.00 O ATOM 664 CB THR A 44 11.001 16.545 14.358 1.00 1.00 C ATOM 665 OG1 THR A 44 11.495 17.872 14.253 1.00 1.00 O ATOM 666 CG2 THR A 44 9.737 16.378 13.517 1.00 1.00 C ATOM 0 H THR A 44 8.883 15.164 15.563 1.00 1.00 H new ATOM 0 HA THR A 44 11.553 16.113 16.398 1.00 1.00 H new ATOM 0 HB THR A 44 11.777 15.867 14.001 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.721 18.064 13.319 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.963 16.596 12.473 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.375 15.353 13.604 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.970 17.065 13.873 1.00 1.00 H new ATOM 674 N TYR A 45 10.489 18.414 16.887 1.00 1.00 N ATOM 675 CA TYR A 45 9.765 19.557 17.444 1.00 1.00 C ATOM 676 C TYR A 45 10.475 20.868 17.152 1.00 1.00 C ATOM 677 O TYR A 45 11.699 20.965 17.247 1.00 1.00 O ATOM 678 CB TYR A 45 9.601 19.392 18.961 1.00 1.00 C ATOM 679 CG TYR A 45 9.024 20.658 19.568 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.748 21.099 19.191 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.760 21.392 20.512 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.206 22.259 19.752 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.210 22.549 21.082 1.00 1.00 C ATOM 684 CZ TYR A 45 7.934 22.982 20.700 1.00 1.00 C ATOM 685 OH TYR A 45 7.386 24.116 21.271 1.00 1.00 O ATOM 0 H TYR A 45 11.506 18.489 16.925 1.00 1.00 H new ATOM 0 HA TYR A 45 8.785 19.587 16.968 1.00 1.00 H new ATOM 0 HB2 TYR A 45 8.946 18.547 19.173 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.566 19.169 19.416 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.180 20.539 18.463 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.749 21.066 20.799 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.225 22.596 19.453 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.771 23.107 21.817 1.00 1.00 H new ATOM 0 HH TYR A 45 6.515 23.897 21.662 1.00 1.00 H new ATOM 695 N ASP A 46 9.671 21.883 16.841 1.00 1.00 N ATOM 696 CA ASP A 46 10.174 23.226 16.588 1.00 1.00 C ATOM 697 C ASP A 46 9.530 24.179 17.592 1.00 1.00 C ATOM 698 O ASP A 46 8.301 24.282 17.667 1.00 1.00 O ATOM 699 CB ASP A 46 9.858 23.659 15.155 1.00 1.00 C ATOM 700 CG ASP A 46 10.378 25.076 14.934 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.874 25.660 15.881 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.280 25.553 13.814 1.00 1.00 O ATOM 0 H ASP A 46 8.658 21.796 16.758 1.00 1.00 H new ATOM 0 HA ASP A 46 11.258 23.243 16.705 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.321 22.974 14.445 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.783 23.622 14.980 1.00 1.00 H new ATOM 707 N ASP A 47 10.362 24.826 18.411 1.00 1.00 N ATOM 708 CA ASP A 47 9.861 25.715 19.457 1.00 1.00 C ATOM 709 C ASP A 47 9.550 27.106 18.917 1.00 1.00 C ATOM 710 O ASP A 47 8.793 27.864 19.521 1.00 1.00 O ATOM 711 CB ASP A 47 10.911 25.830 20.568 1.00 1.00 C ATOM 712 CG ASP A 47 12.116 26.646 20.098 1.00 1.00 C ATOM 713 OD1 ASP A 47 12.246 26.830 18.901 1.00 1.00 O ATOM 714 OD2 ASP A 47 12.880 27.079 20.945 1.00 1.00 O ATOM 0 H ASP A 47 11.378 24.751 18.370 1.00 1.00 H new ATOM 0 HA ASP A 47 8.936 25.289 19.845 1.00 1.00 H new ATOM 0 HB2 ASP A 47 10.468 26.301 21.445 1.00 1.00 H new ATOM 0 HB3 ASP A 47 11.236 24.835 20.871 1.00 1.00 H new ATOM 719 N ALA A 48 10.158 27.450 17.785 1.00 1.00 N ATOM 720 CA ALA A 48 9.937 28.769 17.213 1.00 1.00 C ATOM 721 C ALA A 48 8.608 28.812 16.465 1.00 1.00 C ATOM 722 O ALA A 48 8.041 29.884 16.258 1.00 1.00 O ATOM 723 CB ALA A 48 11.061 29.108 16.240 1.00 1.00 C ATOM 0 H ALA A 48 10.792 26.849 17.259 1.00 1.00 H new ATOM 0 HA ALA A 48 9.917 29.495 18.026 1.00 1.00 H new ATOM 0 HB1 ALA A 48 10.889 30.097 15.816 1.00 1.00 H new ATOM 0 HB2 ALA A 48 12.014 29.101 16.769 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.084 28.369 15.439 1.00 1.00 H new ATOM 729 N THR A 49 8.126 27.639 16.055 1.00 1.00 N ATOM 730 CA THR A 49 6.866 27.538 15.316 1.00 1.00 C ATOM 731 C THR A 49 5.823 26.790 16.142 1.00 1.00 C ATOM 732 O THR A 49 4.640 26.783 15.794 1.00 1.00 O ATOM 733 CB THR A 49 7.097 26.814 13.979 1.00 1.00 C ATOM 734 OG1 THR A 49 7.945 25.696 14.188 1.00 1.00 O ATOM 735 CG2 THR A 49 7.744 27.765 12.964 1.00 1.00 C ATOM 0 H THR A 49 8.588 26.745 16.222 1.00 1.00 H new ATOM 0 HA THR A 49 6.497 28.544 15.117 1.00 1.00 H new ATOM 0 HB THR A 49 6.137 26.480 13.587 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.605 25.646 13.465 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.902 27.239 12.022 1.00 1.00 H new ATOM 0 HG22 THR A 49 7.089 28.620 12.797 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.702 28.113 13.350 1.00 1.00 H new ATOM 743 N LYS A 50 6.255 26.176 17.247 1.00 1.00 N ATOM 744 CA LYS A 50 5.339 25.443 18.108 1.00 1.00 C ATOM 745 C LYS A 50 4.632 24.353 17.321 1.00 1.00 C ATOM 746 O LYS A 50 3.417 24.194 17.432 1.00 1.00 O ATOM 747 CB LYS A 50 4.278 26.381 18.686 1.00 1.00 C ATOM 748 CG LYS A 50 4.920 27.610 19.330 1.00 1.00 C ATOM 749 CD LYS A 50 5.837 27.173 20.474 1.00 1.00 C ATOM 750 CE LYS A 50 6.162 28.371 21.371 1.00 1.00 C ATOM 751 NZ LYS A 50 6.852 27.885 22.596 1.00 1.00 N ATOM 0 H LYS A 50 7.226 26.175 17.560 1.00 1.00 H new ATOM 0 HA LYS A 50 5.923 25.002 18.916 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.597 26.695 17.895 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.682 25.848 19.427 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.490 28.166 18.586 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.148 28.281 19.706 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.354 26.390 21.059 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.757 26.749 20.072 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.796 29.080 20.838 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.247 28.900 21.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 7.077 28.693 23.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.231 27.224 23.105 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.731 27.398 22.329 1.00 1.00 H new ATOM 765 N THR A 51 5.389 23.614 16.511 1.00 1.00 N ATOM 766 CA THR A 51 4.807 22.547 15.684 1.00 1.00 C ATOM 767 C THR A 51 5.561 21.228 15.872 1.00 1.00 C ATOM 768 O THR A 51 6.786 21.186 15.734 1.00 1.00 O ATOM 769 CB THR A 51 4.866 22.975 14.210 1.00 1.00 C ATOM 770 OG1 THR A 51 4.149 24.189 14.047 1.00 1.00 O ATOM 771 CG2 THR A 51 4.240 21.894 13.326 1.00 1.00 C ATOM 0 H THR A 51 6.397 23.729 16.407 1.00 1.00 H new ATOM 0 HA THR A 51 3.773 22.388 15.990 1.00 1.00 H new ATOM 0 HB THR A 51 5.907 23.117 13.918 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.185 24.467 13.108 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.286 22.206 12.283 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.788 20.960 13.450 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.199 21.745 13.615 1.00 1.00 H new ATOM 779 N PHE A 52 4.822 20.150 16.165 1.00 1.00 N ATOM 780 CA PHE A 52 5.417 18.836 16.343 1.00 1.00 C ATOM 781 C PHE A 52 5.074 18.019 15.126 1.00 1.00 C ATOM 782 O PHE A 52 4.046 18.269 14.508 1.00 1.00 O ATOM 783 CB PHE A 52 4.790 18.150 17.561 1.00 1.00 C ATOM 784 CG PHE A 52 5.300 18.750 18.843 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.682 19.884 19.377 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.377 18.155 19.507 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.150 20.424 20.582 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.843 18.695 20.710 1.00 1.00 C ATOM 789 CZ PHE A 52 6.228 19.830 21.248 1.00 1.00 C ATOM 0 H PHE A 52 3.809 20.171 16.282 1.00 1.00 H new ATOM 0 HA PHE A 52 6.494 18.925 16.483 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.705 18.246 17.518 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.017 17.084 17.539 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.849 20.341 18.864 1.00 1.00 H new ATOM 0 HD2 PHE A 52 6.849 17.278 19.091 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.677 21.301 20.998 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.676 18.237 21.222 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.585 20.248 22.178 1.00 1.00 H new ATOM 799 N THR A 53 5.892 17.042 14.768 1.00 1.00 N ATOM 800 CA THR A 53 5.554 16.206 13.623 1.00 1.00 C ATOM 801 C THR A 53 5.919 14.767 13.916 1.00 1.00 C ATOM 802 O THR A 53 6.945 14.499 14.548 1.00 1.00 O ATOM 803 CB THR A 53 6.274 16.649 12.340 1.00 1.00 C ATOM 804 OG1 THR A 53 7.551 16.042 12.289 1.00 1.00 O ATOM 805 CG2 THR A 53 6.432 18.170 12.294 1.00 1.00 C ATOM 0 H THR A 53 6.769 16.811 15.235 1.00 1.00 H new ATOM 0 HA THR A 53 4.481 16.307 13.459 1.00 1.00 H new ATOM 0 HB THR A 53 5.675 16.340 11.483 1.00 1.00 H new ATOM 0 HG1 THR A 53 8.013 16.321 11.471 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.945 18.455 11.375 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.448 18.639 12.321 1.00 1.00 H new ATOM 0 HG23 THR A 53 7.016 18.501 13.153 1.00 1.00 H new ATOM 813 N VAL A 54 5.126 13.838 13.393 1.00 1.00 N ATOM 814 CA VAL A 54 5.431 12.426 13.540 1.00 1.00 C ATOM 815 C VAL A 54 5.256 11.751 12.196 1.00 1.00 C ATOM 816 O VAL A 54 4.298 12.019 11.472 1.00 1.00 O ATOM 817 CB VAL A 54 4.531 11.785 14.587 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.086 11.842 14.117 1.00 1.00 C ATOM 819 CG2 VAL A 54 4.966 10.332 14.794 1.00 1.00 C ATOM 0 H VAL A 54 4.275 14.038 12.868 1.00 1.00 H new ATOM 0 HA VAL A 54 6.460 12.308 13.878 1.00 1.00 H new ATOM 0 HB VAL A 54 4.613 12.323 15.532 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.441 11.383 14.866 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.791 12.881 13.972 1.00 1.00 H new ATOM 0 HG13 VAL A 54 2.988 11.302 13.175 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.327 9.864 15.543 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.880 9.789 13.853 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.001 10.307 15.134 1.00 1.00 H new ATOM 829 N THR A 55 6.205 10.888 11.850 1.00 1.00 N ATOM 830 CA THR A 55 6.166 10.205 10.571 1.00 1.00 C ATOM 831 C THR A 55 6.538 8.734 10.705 1.00 1.00 C ATOM 832 O THR A 55 7.621 8.397 11.180 1.00 1.00 O ATOM 833 CB THR A 55 7.141 10.906 9.631 1.00 1.00 C ATOM 834 OG1 THR A 55 6.801 12.284 9.560 1.00 1.00 O ATOM 835 CG2 THR A 55 7.090 10.284 8.233 1.00 1.00 C ATOM 0 H THR A 55 7.005 10.649 12.436 1.00 1.00 H new ATOM 0 HA THR A 55 5.151 10.244 10.177 1.00 1.00 H new ATOM 0 HB THR A 55 8.154 10.791 10.016 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.607 12.811 9.377 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.793 10.800 7.579 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.358 9.229 8.294 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.082 10.380 7.829 1.00 1.00 H new ATOM 843 N GLU A 56 5.637 7.868 10.252 1.00 1.00 N ATOM 844 CA GLU A 56 5.859 6.429 10.295 1.00 1.00 C ATOM 845 C GLU A 56 6.394 5.935 8.951 1.00 1.00 C ATOM 846 O GLU A 56 7.406 5.252 8.953 1.00 1.00 O ATOM 847 CB GLU A 56 4.537 5.723 10.597 1.00 1.00 C ATOM 848 CG GLU A 56 3.754 6.482 11.668 1.00 1.00 C ATOM 849 CD GLU A 56 2.355 5.884 11.772 1.00 1.00 C ATOM 850 OE1 GLU A 56 2.247 4.671 11.705 1.00 1.00 O ATOM 851 OE2 GLU A 56 1.415 6.644 11.918 1.00 1.00 O ATOM 852 OXT GLU A 56 5.779 6.235 7.940 1.00 1.00 O ATOM 0 H GLU A 56 4.741 8.141 9.849 1.00 1.00 H new ATOM 0 HA GLU A 56 6.589 6.207 11.073 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.942 5.650 9.687 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.731 4.705 10.934 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.265 6.414 12.628 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.694 7.540 11.413 1.00 1.00 H new TER 859 GLU A 56