USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 646 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -161:sc= -0.878 (180deg=-1.85!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 4 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.11) USER MOD Single : A 16 ASN : amide:sc= -8.7! C(o=-8.7!,f=-8.9!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -0.0321 (180deg=-0.191) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 93:sc= 0.899 USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.0674 USER MOD Single : A 42 SER OG : rot 180:sc= -0.208 USER MOD Single : A 43 MET CE :methyl 152:sc= -6.56! (180deg=-10.2!) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.08) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 67 LYS NZ :NH3+ -140:sc= 0.454 (180deg=-0.277) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 73 THR OG1 : rot 79:sc= -0.295 USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.534) USER MOD Single : A 75 TYR OH : rot -30:sc= -2.9! USER MOD Single : A 79 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=0.005) USER MOD Single : A 80 GLN : amide:sc= -1.45! C(o=-1.5!,f=-13!) USER MOD Single : A 101 SYO O33 : rot 128:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.228 -5.128 5.132 1.00 1.42 N ATOM 2 CA ALA A 1 13.593 -5.859 3.939 1.00 0.94 C ATOM 3 C ALA A 1 12.634 -7.010 3.767 1.00 0.83 C ATOM 4 O ALA A 1 12.697 -7.991 4.501 1.00 1.23 O ATOM 5 CB ALA A 1 15.012 -6.366 4.063 1.00 1.13 C ATOM 0 H1 ALA A 1 13.649 -4.177 5.099 1.00 1.42 H new ATOM 0 H2 ALA A 1 12.193 -5.047 5.186 1.00 1.42 H new ATOM 0 H3 ALA A 1 13.580 -5.633 5.970 1.00 1.42 H new ATOM 0 HA ALA A 1 13.538 -5.207 3.067 1.00 0.94 H new ATOM 0 HB1 ALA A 1 15.282 -6.916 3.162 1.00 1.13 H new ATOM 0 HB2 ALA A 1 15.690 -5.522 4.190 1.00 1.13 H new ATOM 0 HB3 ALA A 1 15.088 -7.026 4.927 1.00 1.13 H new ATOM 13 N ALA A 2 11.738 -6.876 2.818 1.00 0.85 N ATOM 14 CA ALA A 2 10.698 -7.819 2.571 1.00 1.24 C ATOM 15 C ALA A 2 10.256 -7.636 1.135 1.00 1.16 C ATOM 16 O ALA A 2 10.042 -6.509 0.709 1.00 1.77 O ATOM 17 CB ALA A 2 9.551 -7.532 3.518 1.00 1.85 C ATOM 0 H ALA A 2 11.721 -6.079 2.182 1.00 0.85 H new ATOM 0 HA ALA A 2 11.035 -8.843 2.729 1.00 1.24 H new ATOM 0 HB1 ALA A 2 8.746 -8.246 3.342 1.00 1.85 H new ATOM 0 HB2 ALA A 2 9.898 -7.623 4.547 1.00 1.85 H new ATOM 0 HB3 ALA A 2 9.183 -6.520 3.347 1.00 1.85 H new ATOM 23 N THR A 3 10.105 -8.696 0.403 1.00 0.54 N ATOM 24 CA THR A 3 9.805 -8.559 -1.001 1.00 0.48 C ATOM 25 C THR A 3 8.295 -8.491 -1.228 1.00 0.35 C ATOM 26 O THR A 3 7.532 -8.516 -0.273 1.00 0.35 O ATOM 27 CB THR A 3 10.498 -9.662 -1.879 1.00 0.59 C ATOM 28 OG1 THR A 3 10.458 -9.297 -3.276 1.00 0.66 O ATOM 29 CG2 THR A 3 9.854 -11.030 -1.686 1.00 0.66 C ATOM 0 H THR A 3 10.182 -9.655 0.741 1.00 0.54 H new ATOM 0 HA THR A 3 10.231 -7.613 -1.335 1.00 0.48 H new ATOM 0 HB THR A 3 11.535 -9.729 -1.551 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.895 -9.994 -3.809 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.363 -11.763 -2.311 1.00 0.66 H new ATOM 0 HG22 THR A 3 9.935 -11.326 -0.640 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.802 -10.980 -1.969 1.00 0.66 H new ATOM 37 N GLN A 4 7.878 -8.404 -2.486 1.00 0.32 N ATOM 38 CA GLN A 4 6.456 -8.290 -2.881 1.00 0.28 C ATOM 39 C GLN A 4 5.557 -9.297 -2.189 1.00 0.27 C ATOM 40 O GLN A 4 4.450 -8.933 -1.758 1.00 0.26 O ATOM 41 CB GLN A 4 6.298 -8.365 -4.407 1.00 0.33 C ATOM 42 CG GLN A 4 4.864 -8.208 -4.937 1.00 0.37 C ATOM 43 CD GLN A 4 4.082 -9.515 -5.145 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.148 -10.122 -6.211 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.321 -9.934 -4.158 1.00 0.48 N ATOM 0 H GLN A 4 8.518 -8.410 -3.280 1.00 0.32 H new ATOM 0 HA GLN A 4 6.126 -7.307 -2.544 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.919 -7.590 -4.857 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.689 -9.324 -4.748 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.307 -7.580 -4.242 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.904 -7.675 -5.887 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.285 -9.410 -3.284 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.766 -10.783 -4.267 1.00 0.48 H new ATOM 54 N GLU A 5 6.008 -10.543 -2.097 1.00 0.33 N ATOM 55 CA GLU A 5 5.260 -11.601 -1.407 1.00 0.40 C ATOM 56 C GLU A 5 4.911 -11.205 0.017 1.00 0.39 C ATOM 57 O GLU A 5 3.851 -11.559 0.521 1.00 0.55 O ATOM 58 CB GLU A 5 6.041 -12.900 -1.383 1.00 0.57 C ATOM 59 CG GLU A 5 6.226 -13.548 -2.732 1.00 0.85 C ATOM 60 CD GLU A 5 6.978 -14.840 -2.623 1.00 1.88 C ATOM 61 OE1 GLU A 5 6.397 -15.845 -2.178 1.00 2.37 O ATOM 62 OE2 GLU A 5 8.172 -14.875 -2.981 1.00 2.66 O ATOM 0 H GLU A 5 6.895 -10.852 -2.494 1.00 0.33 H new ATOM 0 HA GLU A 5 4.337 -11.746 -1.968 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.022 -12.710 -0.948 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.531 -13.603 -0.724 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.252 -13.730 -3.186 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.763 -12.868 -3.393 1.00 0.85 H new ATOM 69 N GLU A 6 5.797 -10.473 0.639 1.00 0.36 N ATOM 70 CA GLU A 6 5.605 -10.014 1.979 1.00 0.42 C ATOM 71 C GLU A 6 4.838 -8.681 1.972 1.00 0.32 C ATOM 72 O GLU A 6 3.994 -8.435 2.834 1.00 0.37 O ATOM 73 CB GLU A 6 6.970 -9.836 2.667 1.00 0.55 C ATOM 74 CG GLU A 6 6.881 -9.571 4.159 1.00 0.82 C ATOM 75 CD GLU A 6 6.067 -10.613 4.897 1.00 1.75 C ATOM 76 OE1 GLU A 6 6.329 -11.830 4.747 1.00 2.73 O ATOM 77 OE2 GLU A 6 5.185 -10.228 5.683 1.00 2.05 O ATOM 0 H GLU A 6 6.679 -10.179 0.221 1.00 0.36 H new ATOM 0 HA GLU A 6 5.022 -10.751 2.531 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.567 -10.733 2.503 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.499 -9.009 2.193 1.00 0.55 H new ATOM 0 HG2 GLU A 6 7.887 -9.540 4.578 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.438 -8.589 4.322 1.00 0.82 H new ATOM 84 N ILE A 7 5.096 -7.849 0.956 1.00 0.21 N ATOM 85 CA ILE A 7 4.522 -6.519 0.894 1.00 0.16 C ATOM 86 C ILE A 7 3.026 -6.596 0.664 1.00 0.14 C ATOM 87 O ILE A 7 2.261 -6.227 1.509 1.00 0.18 O ATOM 88 CB ILE A 7 5.169 -5.707 -0.246 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.664 -5.558 0.006 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.515 -4.334 -0.357 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.417 -4.958 -1.152 1.00 0.23 C ATOM 0 H ILE A 7 5.701 -8.083 0.169 1.00 0.21 H new ATOM 0 HA ILE A 7 4.715 -6.024 1.846 1.00 0.16 H new ATOM 0 HB ILE A 7 5.019 -6.239 -1.185 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.814 -4.935 0.888 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.085 -6.538 0.233 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.982 -3.773 -1.166 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.452 -4.453 -0.565 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.643 -3.793 0.581 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.475 -4.883 -0.899 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.298 -5.592 -2.031 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.024 -3.964 -1.366 1.00 0.23 H new ATOM 103 N VAL A 8 2.635 -7.081 -0.473 1.00 0.13 N ATOM 104 CA VAL A 8 1.227 -7.200 -0.829 1.00 0.15 C ATOM 105 C VAL A 8 0.437 -8.007 0.192 1.00 0.18 C ATOM 106 O VAL A 8 -0.661 -7.606 0.557 1.00 0.25 O ATOM 107 CB VAL A 8 1.059 -7.769 -2.253 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.400 -7.847 -2.662 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.837 -6.926 -3.233 1.00 0.17 C ATOM 0 H VAL A 8 3.275 -7.412 -1.195 1.00 0.13 H new ATOM 0 HA VAL A 8 0.810 -6.193 -0.819 1.00 0.15 H new ATOM 0 HB VAL A 8 1.450 -8.786 -2.258 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.474 -8.253 -3.671 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.938 -8.495 -1.970 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.838 -6.849 -2.639 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.716 -7.331 -4.238 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.465 -5.902 -3.207 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.893 -6.935 -2.963 1.00 0.17 H new ATOM 119 N ALA A 9 1.007 -9.095 0.679 1.00 0.18 N ATOM 120 CA ALA A 9 0.331 -9.901 1.679 1.00 0.22 C ATOM 121 C ALA A 9 0.084 -9.082 2.942 1.00 0.21 C ATOM 122 O ALA A 9 -1.009 -9.097 3.503 1.00 0.27 O ATOM 123 CB ALA A 9 1.131 -11.145 2.014 1.00 0.26 C ATOM 0 H ALA A 9 1.927 -9.438 0.402 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.627 -10.214 1.264 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.599 -11.728 2.766 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.263 -11.746 1.114 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.107 -10.856 2.403 1.00 0.26 H new ATOM 129 N GLY A 10 1.084 -8.308 3.335 1.00 0.18 N ATOM 130 CA GLY A 10 0.990 -7.543 4.514 1.00 0.18 C ATOM 131 C GLY A 10 0.142 -6.340 4.359 1.00 0.15 C ATOM 132 O GLY A 10 -0.656 -6.022 5.234 1.00 0.16 O ATOM 0 H GLY A 10 1.966 -8.210 2.833 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.585 -8.165 5.312 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.990 -7.238 4.823 1.00 0.18 H new ATOM 136 N LEU A 11 0.284 -5.692 3.237 1.00 0.14 N ATOM 137 CA LEU A 11 -0.428 -4.499 2.932 1.00 0.13 C ATOM 138 C LEU A 11 -1.906 -4.819 2.858 1.00 0.14 C ATOM 139 O LEU A 11 -2.733 -4.056 3.335 1.00 0.16 O ATOM 140 CB LEU A 11 0.081 -3.957 1.613 1.00 0.13 C ATOM 141 CG LEU A 11 0.410 -2.472 1.565 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.997 -2.123 0.215 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.823 -1.641 1.834 1.00 0.20 C ATOM 0 H LEU A 11 0.916 -5.993 2.495 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.276 -3.743 3.702 1.00 0.13 H new ATOM 0 HB2 LEU A 11 0.978 -4.513 1.340 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.668 -4.164 0.848 1.00 0.13 H new ATOM 0 HG LEU A 11 1.142 -2.250 2.341 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.231 -1.059 0.184 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.908 -2.700 0.054 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.275 -2.358 -0.567 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.564 -0.583 1.795 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.580 -1.858 1.080 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.216 -1.882 2.822 1.00 0.20 H new ATOM 155 N ALA A 12 -2.219 -5.986 2.297 1.00 0.12 N ATOM 156 CA ALA A 12 -3.573 -6.466 2.239 1.00 0.13 C ATOM 157 C ALA A 12 -4.132 -6.567 3.632 1.00 0.11 C ATOM 158 O ALA A 12 -5.210 -6.045 3.894 1.00 0.13 O ATOM 159 CB ALA A 12 -3.645 -7.817 1.561 1.00 0.14 C ATOM 0 H ALA A 12 -1.534 -6.613 1.875 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.163 -5.760 1.654 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.681 -8.155 1.532 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.261 -7.735 0.544 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.045 -8.536 2.118 1.00 0.14 H new ATOM 165 N GLU A 13 -3.362 -7.186 4.537 1.00 0.12 N ATOM 166 CA GLU A 13 -3.782 -7.368 5.923 1.00 0.13 C ATOM 167 C GLU A 13 -4.033 -6.058 6.611 1.00 0.15 C ATOM 168 O GLU A 13 -5.002 -5.918 7.361 1.00 0.19 O ATOM 169 CB GLU A 13 -2.823 -8.231 6.719 1.00 0.18 C ATOM 170 CG GLU A 13 -2.673 -9.623 6.163 1.00 0.23 C ATOM 171 CD GLU A 13 -1.868 -10.515 7.060 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.689 -10.208 7.355 1.00 0.52 O ATOM 173 OE2 GLU A 13 -2.422 -11.520 7.553 1.00 0.68 O ATOM 0 H GLU A 13 -2.440 -7.569 4.327 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.729 -7.906 5.880 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.846 -7.749 6.743 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.172 -8.294 7.750 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.661 -10.059 6.013 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.196 -9.571 5.184 1.00 0.23 H new ATOM 180 N ILE A 14 -3.201 -5.099 6.332 1.00 0.14 N ATOM 181 CA ILE A 14 -3.378 -3.762 6.866 1.00 0.17 C ATOM 182 C ILE A 14 -4.720 -3.178 6.376 1.00 0.18 C ATOM 183 O ILE A 14 -5.488 -2.625 7.149 1.00 0.22 O ATOM 184 CB ILE A 14 -2.217 -2.855 6.426 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.902 -3.431 6.935 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.415 -1.448 6.974 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.305 -2.884 6.241 1.00 0.25 C ATOM 0 H ILE A 14 -2.383 -5.210 5.733 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.387 -3.814 7.955 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.193 -2.806 5.337 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.818 -3.231 8.003 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.919 -4.514 6.814 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.587 -0.814 6.656 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.352 -1.039 6.595 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.448 -1.483 8.063 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.203 -3.341 6.658 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.245 -3.107 5.176 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.348 -1.804 6.383 1.00 0.25 H new ATOM 199 N VAL A 15 -5.036 -3.395 5.107 1.00 0.15 N ATOM 200 CA VAL A 15 -6.251 -2.846 4.509 1.00 0.17 C ATOM 201 C VAL A 15 -7.477 -3.575 5.057 1.00 0.18 C ATOM 202 O VAL A 15 -8.596 -3.041 5.063 1.00 0.22 O ATOM 203 CB VAL A 15 -6.235 -2.911 2.948 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.463 -2.266 2.354 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.019 -2.230 2.401 1.00 0.23 C ATOM 0 H VAL A 15 -4.467 -3.949 4.467 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.297 -1.792 4.782 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.221 -3.966 2.674 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.418 -2.330 1.267 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.354 -2.782 2.711 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.506 -1.219 2.655 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -5.029 -2.287 1.313 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.018 -1.185 2.709 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.124 -2.722 2.782 1.00 0.23 H new ATOM 215 N ASN A 16 -7.259 -4.787 5.525 1.00 0.16 N ATOM 216 CA ASN A 16 -8.333 -5.569 6.155 1.00 0.20 C ATOM 217 C ASN A 16 -8.695 -4.893 7.468 1.00 0.25 C ATOM 218 O ASN A 16 -9.853 -4.616 7.744 1.00 0.34 O ATOM 219 CB ASN A 16 -7.925 -7.023 6.507 1.00 0.20 C ATOM 220 CG ASN A 16 -7.207 -7.817 5.465 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.416 -8.685 5.790 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.487 -7.595 4.248 1.00 0.27 N ATOM 0 H ASN A 16 -6.356 -5.261 5.487 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.152 -5.611 5.437 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.294 -6.988 7.395 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.829 -7.568 6.779 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.046 -8.149 3.514 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.153 -6.862 4.003 1.00 0.27 H new ATOM 229 N GLU A 17 -7.665 -4.592 8.242 1.00 0.26 N ATOM 230 CA GLU A 17 -7.813 -4.002 9.567 1.00 0.35 C ATOM 231 C GLU A 17 -8.307 -2.562 9.494 1.00 0.38 C ATOM 232 O GLU A 17 -9.150 -2.148 10.277 1.00 0.47 O ATOM 233 CB GLU A 17 -6.471 -4.028 10.300 1.00 0.41 C ATOM 234 CG GLU A 17 -5.852 -5.406 10.429 1.00 0.46 C ATOM 235 CD GLU A 17 -6.744 -6.380 11.142 1.00 1.22 C ATOM 236 OE1 GLU A 17 -7.105 -6.128 12.313 1.00 1.35 O ATOM 237 OE2 GLU A 17 -7.058 -7.434 10.575 1.00 2.07 O ATOM 0 H GLU A 17 -6.695 -4.750 7.969 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.553 -4.593 10.106 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.772 -3.377 9.775 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.608 -3.610 11.297 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -5.623 -5.791 9.435 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -4.907 -5.326 10.966 1.00 0.46 H new ATOM 244 N ILE A 18 -7.751 -1.809 8.575 1.00 0.32 N ATOM 245 CA ILE A 18 -8.078 -0.397 8.420 1.00 0.38 C ATOM 246 C ILE A 18 -9.463 -0.201 7.787 1.00 0.39 C ATOM 247 O ILE A 18 -10.309 0.475 8.352 1.00 0.43 O ATOM 248 CB ILE A 18 -7.018 0.280 7.514 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.614 0.253 8.162 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.425 1.706 7.165 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.405 1.211 9.315 1.00 0.58 C ATOM 0 H ILE A 18 -7.058 -2.151 7.909 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.085 0.054 9.412 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.966 -0.295 6.590 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.416 -0.759 8.514 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.874 0.473 7.392 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.663 2.156 6.529 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.378 1.693 6.636 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.525 2.290 8.080 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.388 1.109 9.693 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.563 2.233 8.972 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -6.113 0.982 10.111 1.00 0.58 H new ATOM 263 N ALA A 19 -9.694 -0.820 6.639 1.00 0.39 N ATOM 264 CA ALA A 19 -10.927 -0.588 5.895 1.00 0.44 C ATOM 265 C ALA A 19 -11.843 -1.789 5.957 1.00 0.41 C ATOM 266 O ALA A 19 -12.951 -1.717 6.482 1.00 0.54 O ATOM 267 CB ALA A 19 -10.607 -0.241 4.445 1.00 0.48 C ATOM 0 H ALA A 19 -9.051 -1.482 6.204 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.446 0.251 6.357 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.535 -0.070 3.899 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -9.995 0.661 4.413 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.062 -1.066 3.985 1.00 0.48 H new ATOM 273 N GLY A 20 -11.381 -2.880 5.419 1.00 0.34 N ATOM 274 CA GLY A 20 -12.163 -4.093 5.440 1.00 0.33 C ATOM 275 C GLY A 20 -12.035 -4.890 4.185 1.00 0.32 C ATOM 276 O GLY A 20 -13.006 -5.448 3.693 1.00 0.43 O ATOM 0 H GLY A 20 -10.473 -2.960 4.962 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.851 -4.705 6.286 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.211 -3.840 5.598 1.00 0.33 H new ATOM 280 N ILE A 21 -10.850 -4.938 3.656 1.00 0.27 N ATOM 281 CA ILE A 21 -10.587 -5.730 2.489 1.00 0.26 C ATOM 282 C ILE A 21 -10.458 -7.202 2.890 1.00 0.25 C ATOM 283 O ILE A 21 -10.112 -7.488 4.008 1.00 0.24 O ATOM 284 CB ILE A 21 -9.334 -5.186 1.727 1.00 0.25 C ATOM 285 CG1 ILE A 21 -9.758 -4.345 0.514 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.327 -6.255 1.344 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.622 -3.146 0.843 1.00 0.29 C ATOM 0 H ILE A 21 -10.041 -4.433 4.017 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.421 -5.657 1.791 1.00 0.26 H new ATOM 0 HB ILE A 21 -8.808 -4.544 2.433 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -8.862 -3.999 -0.001 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.299 -4.985 -0.183 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.489 -5.795 0.820 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -7.963 -6.751 2.244 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -8.804 -6.988 0.693 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -10.871 -2.614 -0.075 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.539 -3.480 1.329 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.079 -2.479 1.513 1.00 0.29 H new ATOM 299 N PRO A 22 -10.766 -8.135 1.996 1.00 0.29 N ATOM 300 CA PRO A 22 -10.721 -9.578 2.294 1.00 0.35 C ATOM 301 C PRO A 22 -9.363 -10.262 2.015 1.00 0.45 C ATOM 302 O PRO A 22 -9.328 -11.455 1.742 1.00 1.08 O ATOM 303 CB PRO A 22 -11.746 -10.144 1.318 1.00 0.37 C ATOM 304 CG PRO A 22 -12.290 -8.990 0.534 1.00 0.44 C ATOM 305 CD PRO A 22 -11.310 -7.892 0.665 1.00 0.34 C ATOM 0 HA PRO A 22 -10.903 -9.749 3.355 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.284 -10.876 0.656 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.545 -10.657 1.853 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.428 -9.263 -0.512 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.265 -8.687 0.916 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.540 -7.937 -0.106 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -11.781 -6.912 0.588 1.00 0.34 H new ATOM 313 N VAL A 23 -8.278 -9.496 2.050 1.00 0.39 N ATOM 314 CA VAL A 23 -6.860 -9.973 1.828 1.00 0.32 C ATOM 315 C VAL A 23 -6.658 -10.763 0.484 1.00 0.42 C ATOM 316 O VAL A 23 -5.623 -11.389 0.243 1.00 0.81 O ATOM 317 CB VAL A 23 -6.260 -10.756 3.082 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.781 -12.182 3.231 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.738 -10.720 3.121 1.00 0.33 C ATOM 0 H VAL A 23 -8.330 -8.495 2.236 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.276 -9.059 1.723 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.628 -10.206 3.948 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.326 -12.646 4.106 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.864 -12.163 3.353 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.526 -12.757 2.341 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.383 -11.268 3.994 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.340 -11.181 2.217 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.400 -9.685 3.180 1.00 0.33 H new ATOM 329 N GLU A 24 -7.623 -10.639 -0.408 1.00 0.33 N ATOM 330 CA GLU A 24 -7.573 -11.303 -1.706 1.00 0.40 C ATOM 331 C GLU A 24 -7.693 -10.283 -2.826 1.00 0.34 C ATOM 332 O GLU A 24 -7.368 -10.555 -3.965 1.00 0.44 O ATOM 333 CB GLU A 24 -8.741 -12.292 -1.826 1.00 0.57 C ATOM 334 CG GLU A 24 -10.118 -11.625 -1.748 1.00 1.36 C ATOM 335 CD GLU A 24 -11.253 -12.565 -2.048 1.00 1.86 C ATOM 336 OE1 GLU A 24 -11.433 -12.929 -3.229 1.00 2.20 O ATOM 337 OE2 GLU A 24 -11.989 -12.944 -1.119 1.00 2.31 O ATOM 0 H GLU A 24 -8.462 -10.079 -0.258 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.621 -11.828 -1.787 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -8.658 -12.826 -2.772 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.661 -13.035 -1.032 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -10.256 -11.207 -0.751 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -10.151 -10.792 -2.450 1.00 1.36 H new ATOM 344 N ASP A 25 -8.140 -9.096 -2.471 1.00 0.28 N ATOM 345 CA ASP A 25 -8.485 -8.087 -3.473 1.00 0.29 C ATOM 346 C ASP A 25 -7.304 -7.209 -3.747 1.00 0.25 C ATOM 347 O ASP A 25 -7.161 -6.644 -4.818 1.00 0.28 O ATOM 348 CB ASP A 25 -9.644 -7.259 -2.947 1.00 0.35 C ATOM 349 CG ASP A 25 -10.339 -6.441 -3.997 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.612 -6.960 -5.073 1.00 1.59 O ATOM 351 OD2 ASP A 25 -10.516 -5.227 -3.793 1.00 1.57 O ATOM 0 H ASP A 25 -8.275 -8.800 -1.504 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.772 -8.573 -4.405 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.370 -7.925 -2.481 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.276 -6.592 -2.167 1.00 0.35 H new ATOM 356 N VAL A 26 -6.447 -7.129 -2.759 1.00 0.23 N ATOM 357 CA VAL A 26 -5.244 -6.309 -2.829 1.00 0.22 C ATOM 358 C VAL A 26 -4.213 -7.019 -3.702 1.00 0.25 C ATOM 359 O VAL A 26 -3.517 -7.923 -3.251 1.00 0.30 O ATOM 360 CB VAL A 26 -4.666 -6.056 -1.405 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.473 -5.124 -1.429 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.717 -5.477 -0.513 1.00 0.27 C ATOM 0 H VAL A 26 -6.557 -7.629 -1.877 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.491 -5.341 -3.265 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.337 -7.022 -1.022 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.105 -4.978 -0.413 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.684 -5.559 -2.042 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.770 -4.163 -1.849 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.298 -5.306 0.479 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.066 -4.531 -0.928 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.554 -6.171 -0.439 1.00 0.27 H new ATOM 372 N LYS A 27 -4.235 -6.690 -4.970 1.00 0.28 N ATOM 373 CA LYS A 27 -3.350 -7.251 -5.956 1.00 0.35 C ATOM 374 C LYS A 27 -2.669 -6.115 -6.650 1.00 0.37 C ATOM 375 O LYS A 27 -3.095 -4.967 -6.513 1.00 0.72 O ATOM 376 CB LYS A 27 -4.158 -8.037 -6.995 1.00 0.40 C ATOM 377 CG LYS A 27 -4.911 -9.232 -6.448 1.00 0.83 C ATOM 378 CD LYS A 27 -3.971 -10.319 -5.956 1.00 1.13 C ATOM 379 CE LYS A 27 -4.735 -11.496 -5.362 1.00 1.15 C ATOM 380 NZ LYS A 27 -5.701 -12.095 -6.319 1.00 1.58 N ATOM 0 H LYS A 27 -4.887 -6.006 -5.353 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.632 -7.917 -5.478 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.872 -7.361 -7.466 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.480 -8.380 -7.777 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -5.555 -8.911 -5.629 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.560 -9.638 -7.224 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -3.352 -10.667 -6.783 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -3.297 -9.906 -5.205 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -4.026 -12.260 -5.042 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -5.270 -11.165 -4.472 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -6.068 -12.987 -5.930 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -6.490 -11.435 -6.475 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -5.223 -12.283 -7.223 1.00 1.58 H new ATOM 394 N LEU A 28 -1.641 -6.394 -7.391 1.00 0.24 N ATOM 395 CA LEU A 28 -0.987 -5.367 -8.147 1.00 0.22 C ATOM 396 C LEU A 28 -1.950 -4.809 -9.181 1.00 0.23 C ATOM 397 O LEU A 28 -2.833 -5.521 -9.671 1.00 0.31 O ATOM 398 CB LEU A 28 0.334 -5.834 -8.807 1.00 0.27 C ATOM 399 CG LEU A 28 1.577 -5.971 -7.894 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.389 -7.014 -6.820 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.818 -6.269 -8.720 1.00 1.05 C ATOM 0 H LEU A 28 -1.235 -7.325 -7.490 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.701 -4.581 -7.448 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.153 -6.801 -9.276 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.578 -5.133 -9.605 1.00 0.27 H new ATOM 0 HG LEU A 28 1.710 -5.014 -7.389 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.288 -7.071 -6.207 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.540 -6.742 -6.193 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.203 -7.983 -7.283 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.681 -6.362 -8.060 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.677 -7.202 -9.266 1.00 1.05 H new ATOM 0 HD23 LEU A 28 2.988 -5.457 -9.427 1.00 1.05 H new ATOM 413 N ASP A 29 -1.804 -3.526 -9.429 1.00 0.24 N ATOM 414 CA ASP A 29 -2.642 -2.740 -10.353 1.00 0.31 C ATOM 415 C ASP A 29 -4.011 -2.471 -9.733 1.00 0.28 C ATOM 416 O ASP A 29 -4.919 -1.992 -10.380 1.00 0.38 O ATOM 417 CB ASP A 29 -2.776 -3.398 -11.743 1.00 0.42 C ATOM 418 CG ASP A 29 -3.212 -2.420 -12.837 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.354 -1.648 -13.331 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.391 -2.434 -13.256 1.00 0.70 O ATOM 0 H ASP A 29 -1.076 -2.967 -8.984 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.137 -1.787 -10.514 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.820 -3.841 -12.021 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.499 -4.212 -11.684 1.00 0.42 H new ATOM 425 N LYS A 30 -4.137 -2.732 -8.443 1.00 0.19 N ATOM 426 CA LYS A 30 -5.366 -2.434 -7.758 1.00 0.20 C ATOM 427 C LYS A 30 -5.203 -1.216 -6.951 1.00 0.20 C ATOM 428 O LYS A 30 -4.327 -1.132 -6.104 1.00 0.24 O ATOM 429 CB LYS A 30 -5.847 -3.496 -6.818 1.00 0.28 C ATOM 430 CG LYS A 30 -6.333 -4.800 -7.409 1.00 0.36 C ATOM 431 CD LYS A 30 -7.565 -4.590 -8.247 1.00 0.45 C ATOM 432 CE LYS A 30 -8.143 -5.909 -8.695 1.00 0.79 C ATOM 433 NZ LYS A 30 -9.356 -5.720 -9.511 1.00 1.48 N ATOM 0 H LYS A 30 -3.408 -3.145 -7.861 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.101 -2.334 -8.557 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.034 -3.724 -6.128 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.659 -3.075 -6.226 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.545 -5.242 -8.019 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.550 -5.507 -6.608 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.310 -4.038 -7.674 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.318 -3.982 -9.117 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -7.398 -6.457 -9.272 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -8.382 -6.518 -7.823 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.727 -6.647 -9.802 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -10.076 -5.219 -8.952 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -9.122 -5.160 -10.356 1.00 1.48 H new ATOM 447 N SER A 31 -6.037 -0.322 -7.191 1.00 0.20 N ATOM 448 CA SER A 31 -6.066 0.935 -6.521 1.00 0.34 C ATOM 449 C SER A 31 -6.817 0.763 -5.207 1.00 0.53 C ATOM 450 O SER A 31 -7.995 0.494 -5.204 1.00 1.25 O ATOM 451 CB SER A 31 -6.785 1.952 -7.394 1.00 0.36 C ATOM 452 OG SER A 31 -6.327 1.900 -8.731 1.00 0.86 O ATOM 0 H SER A 31 -6.770 -0.424 -7.893 1.00 0.20 H new ATOM 0 HA SER A 31 -5.052 1.285 -6.326 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.858 1.762 -7.368 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.628 2.953 -6.993 1.00 0.36 H new ATOM 0 HG SER A 31 -6.900 1.297 -9.250 1.00 0.86 H new ATOM 458 N PHE A 32 -6.107 0.854 -4.139 1.00 0.29 N ATOM 459 CA PHE A 32 -6.602 0.742 -2.782 1.00 0.28 C ATOM 460 C PHE A 32 -7.907 1.470 -2.584 1.00 0.26 C ATOM 461 O PHE A 32 -8.946 0.859 -2.405 1.00 0.40 O ATOM 462 CB PHE A 32 -5.577 1.279 -1.797 1.00 0.40 C ATOM 463 CG PHE A 32 -4.285 0.529 -1.756 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.130 -0.560 -0.919 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.222 0.918 -2.537 1.00 0.35 C ATOM 466 CE1 PHE A 32 -2.946 -1.240 -0.868 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.032 0.243 -2.485 1.00 0.34 C ATOM 468 CZ PHE A 32 -1.894 -0.840 -1.650 1.00 0.36 C ATOM 0 H PHE A 32 -5.101 1.019 -4.174 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.777 -0.318 -2.600 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.368 2.320 -2.045 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.016 1.271 -0.799 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -4.955 -0.877 -0.298 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.327 1.765 -3.199 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.839 -2.092 -0.212 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.203 0.561 -3.099 1.00 0.34 H new ATOM 0 HZ PHE A 32 -0.957 -1.376 -1.610 1.00 0.36 H new ATOM 478 N THR A 33 -7.883 2.742 -2.666 1.00 0.28 N ATOM 479 CA THR A 33 -9.079 3.462 -2.436 1.00 0.36 C ATOM 480 C THR A 33 -9.721 3.909 -3.761 1.00 0.45 C ATOM 481 O THR A 33 -10.047 5.071 -3.970 1.00 1.06 O ATOM 482 CB THR A 33 -8.891 4.596 -1.383 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.136 5.171 -1.016 1.00 1.01 O ATOM 484 CG2 THR A 33 -7.929 5.669 -1.848 1.00 0.78 C ATOM 0 H THR A 33 -7.062 3.305 -2.888 1.00 0.28 H new ATOM 0 HA THR A 33 -9.804 2.790 -1.976 1.00 0.36 H new ATOM 0 HB THR A 33 -8.451 4.127 -0.503 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.634 4.541 -0.454 1.00 1.01 H new ATOM 0 HG21 THR A 33 -7.836 6.433 -1.076 1.00 0.78 H new ATOM 0 HG22 THR A 33 -6.952 5.224 -2.038 1.00 0.78 H new ATOM 0 HG23 THR A 33 -8.306 6.123 -2.765 1.00 0.78 H new ATOM 492 N ASP A 34 -9.843 2.954 -4.666 1.00 0.32 N ATOM 493 CA ASP A 34 -10.557 3.173 -5.926 1.00 0.34 C ATOM 494 C ASP A 34 -11.079 1.852 -6.456 1.00 0.35 C ATOM 495 O ASP A 34 -12.262 1.685 -6.701 1.00 0.50 O ATOM 496 CB ASP A 34 -9.661 3.837 -6.970 1.00 0.38 C ATOM 497 CG ASP A 34 -10.392 4.120 -8.259 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.139 5.107 -8.324 1.00 1.04 O ATOM 499 OD2 ASP A 34 -10.246 3.330 -9.216 1.00 1.74 O ATOM 0 H ASP A 34 -9.459 2.015 -4.558 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.393 3.844 -5.728 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.267 4.770 -6.566 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -8.806 3.192 -7.174 1.00 0.38 H new ATOM 504 N ASP A 35 -10.180 0.912 -6.580 1.00 0.30 N ATOM 505 CA ASP A 35 -10.464 -0.436 -7.058 1.00 0.32 C ATOM 506 C ASP A 35 -10.906 -1.316 -5.932 1.00 0.35 C ATOM 507 O ASP A 35 -11.857 -2.063 -6.078 1.00 0.52 O ATOM 508 CB ASP A 35 -9.224 -1.090 -7.705 1.00 0.31 C ATOM 509 CG ASP A 35 -8.931 -0.678 -9.127 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.815 -0.851 -9.984 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.840 -0.124 -9.412 1.00 1.10 O ATOM 0 H ASP A 35 -9.198 1.057 -6.347 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.254 -0.338 -7.802 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.353 -0.858 -7.092 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.352 -2.172 -7.679 1.00 0.31 H new ATOM 516 N LEU A 36 -10.206 -1.228 -4.812 1.00 0.30 N ATOM 517 CA LEU A 36 -10.456 -2.102 -3.677 1.00 0.33 C ATOM 518 C LEU A 36 -11.774 -1.749 -2.979 1.00 0.39 C ATOM 519 O LEU A 36 -12.843 -2.257 -3.377 1.00 0.81 O ATOM 520 CB LEU A 36 -9.272 -2.074 -2.680 1.00 0.33 C ATOM 521 CG LEU A 36 -7.891 -2.393 -3.225 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.898 -2.529 -2.093 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.910 -3.628 -4.061 1.00 0.36 C ATOM 0 H LEU A 36 -9.454 -0.554 -4.664 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.548 -3.119 -4.059 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.235 -1.082 -2.229 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.489 -2.781 -1.879 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.581 -1.566 -3.864 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.913 -2.758 -2.499 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.852 -1.594 -1.535 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.212 -3.334 -1.428 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.906 -3.829 -4.436 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.247 -4.471 -3.458 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.590 -3.488 -4.901 1.00 0.36 H new ATOM 535 N ASP A 37 -11.680 -0.864 -1.974 1.00 0.35 N ATOM 536 CA ASP A 37 -12.809 -0.339 -1.160 1.00 0.45 C ATOM 537 C ASP A 37 -12.252 0.179 0.160 1.00 0.39 C ATOM 538 O ASP A 37 -12.501 -0.365 1.239 1.00 0.87 O ATOM 539 CB ASP A 37 -13.937 -1.360 -0.874 1.00 0.79 C ATOM 540 CG ASP A 37 -15.164 -0.702 -0.273 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.862 0.039 -0.995 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.453 -0.899 0.933 1.00 0.99 O ATOM 0 H ASP A 37 -10.782 -0.473 -1.688 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.274 0.450 -1.751 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.213 -1.863 -1.801 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.567 -2.127 -0.193 1.00 0.79 H new ATOM 547 N VAL A 38 -11.407 1.160 0.068 1.00 0.38 N ATOM 548 CA VAL A 38 -10.820 1.731 1.254 1.00 0.37 C ATOM 549 C VAL A 38 -11.518 3.050 1.602 1.00 0.48 C ATOM 550 O VAL A 38 -12.256 3.602 0.788 1.00 0.79 O ATOM 551 CB VAL A 38 -9.265 1.890 1.115 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.591 2.345 2.409 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.669 0.583 0.667 1.00 0.43 C ATOM 0 H VAL A 38 -11.106 1.584 -0.809 1.00 0.38 H new ATOM 0 HA VAL A 38 -10.976 1.044 2.085 1.00 0.37 H new ATOM 0 HB VAL A 38 -9.086 2.670 0.375 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.517 2.436 2.247 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.996 3.311 2.710 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.779 1.613 3.194 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.589 0.690 0.569 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -8.892 -0.190 1.403 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.094 0.300 -0.296 1.00 0.43 H new ATOM 563 N ASP A 39 -11.292 3.533 2.799 1.00 0.39 N ATOM 564 CA ASP A 39 -11.900 4.760 3.305 1.00 0.55 C ATOM 565 C ASP A 39 -11.150 6.022 2.865 1.00 0.67 C ATOM 566 O ASP A 39 -11.480 7.120 3.320 1.00 1.53 O ATOM 567 CB ASP A 39 -11.931 4.724 4.824 1.00 0.64 C ATOM 568 CG ASP A 39 -12.642 3.519 5.384 1.00 1.28 C ATOM 569 OD1 ASP A 39 -13.871 3.565 5.576 1.00 1.51 O ATOM 570 OD2 ASP A 39 -11.983 2.499 5.626 1.00 2.00 O ATOM 0 H ASP A 39 -10.669 3.082 3.470 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.907 4.806 2.889 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -10.908 4.740 5.201 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -12.419 5.627 5.191 1.00 0.64 H new ATOM 575 N SER A 40 -10.141 5.859 1.993 1.00 0.45 N ATOM 576 CA SER A 40 -9.326 6.959 1.439 1.00 0.37 C ATOM 577 C SER A 40 -8.456 7.660 2.494 1.00 0.34 C ATOM 578 O SER A 40 -7.239 7.528 2.472 1.00 0.46 O ATOM 579 CB SER A 40 -10.219 7.928 0.703 1.00 0.51 C ATOM 580 OG SER A 40 -9.467 8.912 -0.023 1.00 0.78 O ATOM 0 H SER A 40 -9.862 4.942 1.645 1.00 0.45 H new ATOM 0 HA SER A 40 -8.617 6.525 0.734 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.858 7.378 0.012 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.876 8.427 1.415 1.00 0.51 H new ATOM 585 N LEU A 41 -9.076 8.344 3.442 1.00 0.32 N ATOM 586 CA LEU A 41 -8.348 9.058 4.482 1.00 0.36 C ATOM 587 C LEU A 41 -7.662 8.079 5.434 1.00 0.33 C ATOM 588 O LEU A 41 -6.632 8.373 6.021 1.00 0.41 O ATOM 589 CB LEU A 41 -9.277 10.078 5.206 1.00 0.51 C ATOM 590 CG LEU A 41 -10.579 9.553 5.861 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.325 8.883 7.205 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.593 10.670 6.002 1.00 1.18 C ATOM 0 H LEU A 41 -10.091 8.421 3.514 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.552 9.644 4.022 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -8.690 10.569 5.982 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.555 10.845 4.483 1.00 0.51 H new ATOM 0 HG LEU A 41 -10.985 8.789 5.198 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.270 8.533 7.621 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.653 8.036 7.068 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -9.871 9.600 7.889 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.501 10.281 6.464 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.178 11.461 6.626 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -11.831 11.072 5.017 1.00 1.18 H new ATOM 604 N SER A 42 -8.227 6.894 5.534 1.00 0.31 N ATOM 605 CA SER A 42 -7.668 5.835 6.346 1.00 0.33 C ATOM 606 C SER A 42 -6.537 5.135 5.607 1.00 0.27 C ATOM 607 O SER A 42 -5.759 4.399 6.186 1.00 0.26 O ATOM 608 CB SER A 42 -8.761 4.852 6.684 1.00 0.45 C ATOM 609 OG SER A 42 -9.871 5.542 7.231 1.00 0.60 O ATOM 0 H SER A 42 -9.089 6.638 5.053 1.00 0.31 H new ATOM 0 HA SER A 42 -7.258 6.258 7.263 1.00 0.33 H new ATOM 0 HB2 SER A 42 -9.064 4.308 5.789 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.392 4.114 7.396 1.00 0.45 H new ATOM 0 HG SER A 42 -10.580 4.901 7.448 1.00 0.60 H new ATOM 615 N MET A 43 -6.443 5.391 4.327 1.00 0.27 N ATOM 616 CA MET A 43 -5.445 4.788 3.503 1.00 0.31 C ATOM 617 C MET A 43 -4.089 5.376 3.782 1.00 0.25 C ATOM 618 O MET A 43 -3.107 4.681 3.725 1.00 0.28 O ATOM 619 CB MET A 43 -5.847 4.882 2.037 1.00 0.46 C ATOM 620 CG MET A 43 -4.788 4.506 1.023 1.00 0.73 C ATOM 621 SD MET A 43 -3.888 2.995 1.386 1.00 0.86 S ATOM 622 CE MET A 43 -5.177 1.835 1.567 1.00 0.40 C ATOM 0 H MET A 43 -7.065 6.029 3.831 1.00 0.27 H new ATOM 0 HA MET A 43 -5.371 3.728 3.745 1.00 0.31 H new ATOM 0 HB2 MET A 43 -6.714 4.241 1.879 1.00 0.46 H new ATOM 0 HB3 MET A 43 -6.166 5.905 1.835 1.00 0.46 H new ATOM 0 HG2 MET A 43 -5.262 4.403 0.047 1.00 0.73 H new ATOM 0 HG3 MET A 43 -4.074 5.326 0.945 1.00 0.73 H new ATOM 0 HE1 MET A 43 -4.813 0.843 1.301 1.00 0.40 H new ATOM 0 HE2 MET A 43 -5.520 1.830 2.602 1.00 0.40 H new ATOM 0 HE3 MET A 43 -6.005 2.106 0.912 1.00 0.40 H new ATOM 632 N VAL A 44 -4.059 6.639 4.149 1.00 0.22 N ATOM 633 CA VAL A 44 -2.795 7.301 4.503 1.00 0.22 C ATOM 634 C VAL A 44 -2.094 6.477 5.629 1.00 0.21 C ATOM 635 O VAL A 44 -0.882 6.219 5.575 1.00 0.26 O ATOM 636 CB VAL A 44 -3.027 8.756 4.987 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.700 9.475 5.186 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.909 9.526 4.017 1.00 0.30 C ATOM 0 H VAL A 44 -4.883 7.236 4.214 1.00 0.22 H new ATOM 0 HA VAL A 44 -2.166 7.346 3.614 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.543 8.709 5.946 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.886 10.494 5.526 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.108 8.946 5.933 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -1.155 9.501 4.242 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -4.053 10.542 4.384 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -3.431 9.558 3.038 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.876 9.030 3.933 1.00 0.30 H new ATOM 648 N GLU A 45 -2.906 6.029 6.611 1.00 0.19 N ATOM 649 CA GLU A 45 -2.465 5.129 7.693 1.00 0.18 C ATOM 650 C GLU A 45 -1.828 3.889 7.115 1.00 0.20 C ATOM 651 O GLU A 45 -0.713 3.547 7.448 1.00 0.25 O ATOM 652 CB GLU A 45 -3.662 4.648 8.499 1.00 0.17 C ATOM 653 CG GLU A 45 -4.362 5.680 9.315 1.00 0.29 C ATOM 654 CD GLU A 45 -3.544 6.119 10.489 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.508 5.395 11.494 1.00 0.68 O ATOM 656 OE2 GLU A 45 -2.928 7.184 10.437 1.00 0.58 O ATOM 0 H GLU A 45 -3.891 6.285 6.673 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.763 5.687 8.313 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.384 4.207 7.811 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.329 3.852 9.165 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -4.590 6.543 8.689 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.314 5.280 9.666 1.00 0.29 H new ATOM 663 N VAL A 46 -2.569 3.244 6.221 1.00 0.19 N ATOM 664 CA VAL A 46 -2.181 1.984 5.578 1.00 0.22 C ATOM 665 C VAL A 46 -0.807 2.080 4.907 1.00 0.20 C ATOM 666 O VAL A 46 -0.047 1.129 4.892 1.00 0.23 O ATOM 667 CB VAL A 46 -3.211 1.590 4.495 1.00 0.31 C ATOM 668 CG1 VAL A 46 -2.871 0.267 3.851 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.614 1.573 5.043 1.00 0.63 C ATOM 0 H VAL A 46 -3.479 3.587 5.913 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.143 1.233 6.367 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.163 2.357 3.722 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.619 0.027 3.096 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -1.890 0.333 3.381 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -2.858 -0.515 4.611 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.310 1.292 4.253 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.678 0.851 5.857 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -4.871 2.564 5.417 1.00 0.63 H new ATOM 679 N VAL A 47 -0.490 3.245 4.422 1.00 0.17 N ATOM 680 CA VAL A 47 0.743 3.470 3.678 1.00 0.18 C ATOM 681 C VAL A 47 1.885 3.459 4.637 1.00 0.19 C ATOM 682 O VAL A 47 2.896 2.780 4.424 1.00 0.21 O ATOM 683 CB VAL A 47 0.744 4.826 2.962 1.00 0.22 C ATOM 684 CG1 VAL A 47 1.969 4.944 2.083 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.513 5.023 2.156 1.00 0.54 C ATOM 0 H VAL A 47 -1.072 4.076 4.524 1.00 0.17 H new ATOM 0 HA VAL A 47 0.830 2.682 2.930 1.00 0.18 H new ATOM 0 HB VAL A 47 0.773 5.611 3.717 1.00 0.22 H new ATOM 0 HG11 VAL A 47 1.963 5.910 1.578 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.866 4.861 2.696 1.00 0.55 H new ATOM 0 HG13 VAL A 47 1.962 4.146 1.340 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.480 5.994 1.662 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.591 4.236 1.406 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.379 4.982 2.817 1.00 0.54 H new ATOM 695 N VAL A 48 1.717 4.195 5.705 1.00 0.19 N ATOM 696 CA VAL A 48 2.729 4.261 6.714 1.00 0.23 C ATOM 697 C VAL A 48 2.810 2.904 7.398 1.00 0.23 C ATOM 698 O VAL A 48 3.883 2.442 7.738 1.00 0.35 O ATOM 699 CB VAL A 48 2.461 5.392 7.743 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.604 5.503 8.748 1.00 0.42 C ATOM 701 CG2 VAL A 48 2.257 6.722 7.028 1.00 0.33 C ATOM 0 H VAL A 48 0.886 4.756 5.894 1.00 0.19 H new ATOM 0 HA VAL A 48 3.683 4.502 6.245 1.00 0.23 H new ATOM 0 HB VAL A 48 1.552 5.142 8.290 1.00 0.31 H new ATOM 0 HG11 VAL A 48 3.389 6.303 9.456 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.709 4.561 9.286 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.532 5.725 8.221 1.00 0.42 H new ATOM 0 HG21 VAL A 48 2.070 7.505 7.763 1.00 0.33 H new ATOM 0 HG22 VAL A 48 3.151 6.968 6.455 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.404 6.646 6.354 1.00 0.33 H new ATOM 711 N ALA A 49 1.667 2.211 7.471 1.00 0.18 N ATOM 712 CA ALA A 49 1.620 0.928 8.087 1.00 0.18 C ATOM 713 C ALA A 49 2.362 -0.079 7.230 1.00 0.17 C ATOM 714 O ALA A 49 3.005 -1.012 7.738 1.00 0.21 O ATOM 715 CB ALA A 49 0.193 0.492 8.343 1.00 0.20 C ATOM 0 H ALA A 49 0.774 2.539 7.103 1.00 0.18 H new ATOM 0 HA ALA A 49 2.112 0.988 9.058 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.192 -0.491 8.814 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.294 1.211 9.002 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.347 0.442 7.398 1.00 0.20 H new ATOM 721 N ALA A 50 2.274 0.126 5.921 1.00 0.16 N ATOM 722 CA ALA A 50 2.981 -0.667 4.964 1.00 0.18 C ATOM 723 C ALA A 50 4.472 -0.513 5.200 1.00 0.18 C ATOM 724 O ALA A 50 5.167 -1.488 5.452 1.00 0.21 O ATOM 725 CB ALA A 50 2.595 -0.274 3.517 1.00 0.18 C ATOM 0 H ALA A 50 1.699 0.859 5.506 1.00 0.16 H new ATOM 0 HA ALA A 50 2.706 -1.714 5.090 1.00 0.18 H new ATOM 0 HB1 ALA A 50 3.148 -0.894 2.812 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.525 -0.426 3.372 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.839 0.775 3.347 1.00 0.18 H new ATOM 731 N GLU A 51 4.950 0.707 5.211 1.00 0.18 N ATOM 732 CA GLU A 51 6.368 0.928 5.381 1.00 0.23 C ATOM 733 C GLU A 51 6.892 0.528 6.762 1.00 0.23 C ATOM 734 O GLU A 51 8.030 0.078 6.879 1.00 0.30 O ATOM 735 CB GLU A 51 6.808 2.309 4.898 1.00 0.29 C ATOM 736 CG GLU A 51 6.075 3.485 5.465 1.00 0.31 C ATOM 737 CD GLU A 51 6.817 4.198 6.551 1.00 0.36 C ATOM 738 OE1 GLU A 51 7.103 3.615 7.611 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.148 5.365 6.341 1.00 0.64 O ATOM 0 H GLU A 51 4.389 1.552 5.106 1.00 0.18 H new ATOM 0 HA GLU A 51 6.869 0.229 4.712 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.868 2.427 5.125 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.709 2.337 3.813 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.862 4.190 4.661 1.00 0.31 H new ATOM 0 HG3 GLU A 51 5.115 3.148 5.856 1.00 0.31 H new ATOM 746 N GLU A 52 6.044 0.621 7.775 1.00 0.22 N ATOM 747 CA GLU A 52 6.385 0.148 9.116 1.00 0.26 C ATOM 748 C GLU A 52 6.618 -1.359 9.111 1.00 0.24 C ATOM 749 O GLU A 52 7.501 -1.873 9.803 1.00 0.35 O ATOM 750 CB GLU A 52 5.280 0.482 10.127 1.00 0.33 C ATOM 751 CG GLU A 52 5.158 1.948 10.472 1.00 0.46 C ATOM 752 CD GLU A 52 4.018 2.221 11.420 1.00 1.20 C ATOM 753 OE1 GLU A 52 4.157 1.968 12.640 1.00 1.50 O ATOM 754 OE2 GLU A 52 2.957 2.701 10.984 1.00 2.07 O ATOM 0 H GLU A 52 5.109 1.021 7.697 1.00 0.22 H new ATOM 0 HA GLU A 52 7.300 0.659 9.415 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.326 0.136 9.729 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.464 -0.078 11.044 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.090 2.292 10.920 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.013 2.523 9.558 1.00 0.46 H new ATOM 761 N ARG A 53 5.824 -2.071 8.341 1.00 0.18 N ATOM 762 CA ARG A 53 5.929 -3.510 8.297 1.00 0.21 C ATOM 763 C ARG A 53 6.970 -3.988 7.268 1.00 0.24 C ATOM 764 O ARG A 53 7.661 -4.977 7.498 1.00 0.37 O ATOM 765 CB ARG A 53 4.553 -4.162 8.028 1.00 0.25 C ATOM 766 CG ARG A 53 4.609 -5.682 7.968 1.00 0.41 C ATOM 767 CD ARG A 53 3.270 -6.322 7.640 1.00 0.49 C ATOM 768 NE ARG A 53 3.455 -7.750 7.355 1.00 1.36 N ATOM 769 CZ ARG A 53 2.490 -8.668 7.231 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.245 -8.419 7.651 1.00 1.19 N ATOM 771 NH2 ARG A 53 2.785 -9.854 6.717 1.00 2.48 N ATOM 0 H ARG A 53 5.101 -1.677 7.739 1.00 0.18 H new ATOM 0 HA ARG A 53 6.276 -3.830 9.279 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.857 -3.862 8.811 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.157 -3.782 7.086 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.340 -5.982 7.218 1.00 0.41 H new ATOM 0 HG3 ARG A 53 4.961 -6.064 8.927 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.582 -6.195 8.476 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.821 -5.826 6.780 1.00 0.49 H new ATOM 0 HE ARG A 53 4.415 -8.075 7.240 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.020 -7.518 8.073 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.521 -9.130 7.549 1.00 1.19 H new ATOM 0 HH21 ARG A 53 3.739 -10.058 6.421 1.00 2.48 H new ATOM 0 HH22 ARG A 53 2.057 -10.562 6.618 1.00 2.48 H new ATOM 785 N PHE A 54 7.094 -3.290 6.147 1.00 0.20 N ATOM 786 CA PHE A 54 7.983 -3.772 5.071 1.00 0.26 C ATOM 787 C PHE A 54 9.331 -3.106 5.107 1.00 0.37 C ATOM 788 O PHE A 54 10.172 -3.346 4.244 1.00 0.81 O ATOM 789 CB PHE A 54 7.344 -3.614 3.694 1.00 0.18 C ATOM 790 CG PHE A 54 5.934 -4.045 3.687 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.590 -5.249 4.222 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.962 -3.279 3.081 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.312 -5.690 4.166 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.682 -3.722 3.012 1.00 0.29 C ATOM 795 CZ PHE A 54 3.296 -4.747 3.796 1.00 0.33 C ATOM 0 H PHE A 54 6.611 -2.413 5.951 1.00 0.20 H new ATOM 0 HA PHE A 54 8.135 -4.836 5.253 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.406 -2.571 3.383 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.905 -4.198 2.965 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.345 -5.858 4.696 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.221 -2.320 2.658 1.00 0.19 H new ATOM 0 HE1 PHE A 54 4.065 -6.717 4.392 1.00 0.36 H new ATOM 0 HE2 PHE A 54 2.980 -3.258 2.336 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.274 -4.854 4.129 1.00 0.33 H new ATOM 805 N ASP A 55 9.501 -2.220 6.068 1.00 0.23 N ATOM 806 CA ASP A 55 10.813 -1.583 6.379 1.00 0.30 C ATOM 807 C ASP A 55 11.218 -0.436 5.416 1.00 0.21 C ATOM 808 O ASP A 55 12.226 0.241 5.621 1.00 0.44 O ATOM 809 CB ASP A 55 11.905 -2.677 6.534 1.00 0.60 C ATOM 810 CG ASP A 55 13.326 -2.197 6.627 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.708 -1.604 7.648 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.101 -2.459 5.671 1.00 1.99 O ATOM 0 H ASP A 55 8.742 -1.904 6.672 1.00 0.23 H new ATOM 0 HA ASP A 55 10.703 -1.070 7.334 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.682 -3.258 7.429 1.00 0.60 H new ATOM 0 HB3 ASP A 55 11.829 -3.357 5.686 1.00 0.60 H new ATOM 817 N VAL A 56 10.415 -0.173 4.403 1.00 0.17 N ATOM 818 CA VAL A 56 10.696 0.941 3.502 1.00 0.21 C ATOM 819 C VAL A 56 10.324 2.274 4.215 1.00 0.20 C ATOM 820 O VAL A 56 9.825 2.243 5.323 1.00 0.21 O ATOM 821 CB VAL A 56 9.898 0.768 2.166 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.415 0.823 2.408 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.297 1.761 1.099 1.00 0.37 C ATOM 0 H VAL A 56 9.573 -0.704 4.180 1.00 0.17 H new ATOM 0 HA VAL A 56 11.757 0.960 3.252 1.00 0.21 H new ATOM 0 HB VAL A 56 10.159 -0.220 1.787 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.887 0.700 1.462 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.128 0.023 3.091 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.153 1.786 2.847 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.706 1.586 0.200 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.118 2.774 1.459 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.355 1.640 0.867 1.00 0.37 H new ATOM 833 N LYS A 57 10.576 3.404 3.610 1.00 0.25 N ATOM 834 CA LYS A 57 10.119 4.653 4.152 1.00 0.25 C ATOM 835 C LYS A 57 9.301 5.352 3.082 1.00 0.22 C ATOM 836 O LYS A 57 9.745 5.451 1.918 1.00 0.28 O ATOM 837 CB LYS A 57 11.287 5.542 4.627 1.00 0.33 C ATOM 838 CG LYS A 57 10.812 6.816 5.307 1.00 0.44 C ATOM 839 CD LYS A 57 9.967 6.474 6.512 1.00 0.89 C ATOM 840 CE LYS A 57 9.116 7.635 6.959 1.00 1.46 C ATOM 841 NZ LYS A 57 8.128 7.195 7.961 1.00 2.12 N ATOM 0 H LYS A 57 11.098 3.484 2.737 1.00 0.25 H new ATOM 0 HA LYS A 57 9.508 4.463 5.034 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.911 4.976 5.319 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.912 5.802 3.773 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.669 7.417 5.612 1.00 0.44 H new ATOM 0 HG3 LYS A 57 10.234 7.418 4.606 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.325 5.626 6.275 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.615 6.164 7.332 1.00 0.89 H new ATOM 0 HE2 LYS A 57 9.748 8.416 7.382 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.604 8.070 6.101 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 7.444 7.959 8.133 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 7.627 6.355 7.609 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 8.615 6.960 8.849 1.00 2.12 H new ATOM 855 N ILE A 58 8.107 5.783 3.424 1.00 0.20 N ATOM 856 CA ILE A 58 7.252 6.406 2.442 1.00 0.19 C ATOM 857 C ILE A 58 6.841 7.818 2.892 1.00 0.21 C ATOM 858 O ILE A 58 6.115 7.971 3.878 1.00 0.25 O ATOM 859 CB ILE A 58 5.963 5.556 2.169 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.323 4.071 1.917 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.225 6.125 0.962 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.141 3.155 1.672 1.00 0.24 C ATOM 0 H ILE A 58 7.711 5.715 4.362 1.00 0.20 H new ATOM 0 HA ILE A 58 7.827 6.470 1.518 1.00 0.19 H new ATOM 0 HB ILE A 58 5.320 5.605 3.048 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.990 4.016 1.056 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.880 3.698 2.776 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.329 5.534 0.772 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.943 7.159 1.162 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.875 6.089 0.088 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.497 2.138 1.506 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.482 3.172 2.540 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.593 3.495 0.793 1.00 0.24 H new ATOM 874 N PRO A 59 7.338 8.872 2.210 1.00 0.23 N ATOM 875 CA PRO A 59 6.925 10.254 2.480 1.00 0.28 C ATOM 876 C PRO A 59 5.533 10.482 1.937 1.00 0.24 C ATOM 877 O PRO A 59 5.118 9.777 1.017 1.00 0.21 O ATOM 878 CB PRO A 59 7.894 11.082 1.644 1.00 0.33 C ATOM 879 CG PRO A 59 8.246 10.179 0.527 1.00 0.30 C ATOM 880 CD PRO A 59 8.344 8.813 1.139 1.00 0.25 C ATOM 0 HA PRO A 59 6.929 10.495 3.543 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.431 12.001 1.286 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.774 11.371 2.219 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.487 10.206 -0.255 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.189 10.472 0.066 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.122 8.028 0.416 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.342 8.614 1.530 1.00 0.25 H new ATOM 888 N ASP A 60 4.842 11.484 2.454 1.00 0.30 N ATOM 889 CA ASP A 60 3.470 11.827 2.025 1.00 0.34 C ATOM 890 C ASP A 60 3.408 12.023 0.514 1.00 0.31 C ATOM 891 O ASP A 60 2.432 11.637 -0.134 1.00 0.36 O ATOM 892 CB ASP A 60 2.981 13.104 2.716 1.00 0.51 C ATOM 893 CG ASP A 60 2.924 13.001 4.221 1.00 1.25 C ATOM 894 OD1 ASP A 60 3.991 13.058 4.873 1.00 1.98 O ATOM 895 OD2 ASP A 60 1.817 12.908 4.792 1.00 1.92 O ATOM 0 H ASP A 60 5.206 12.093 3.187 1.00 0.30 H new ATOM 0 HA ASP A 60 2.823 10.997 2.309 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.640 13.928 2.443 1.00 0.51 H new ATOM 0 HB3 ASP A 60 1.988 13.351 2.341 1.00 0.51 H new ATOM 900 N ASP A 61 4.472 12.598 -0.034 1.00 0.30 N ATOM 901 CA ASP A 61 4.619 12.825 -1.475 1.00 0.37 C ATOM 902 C ASP A 61 4.535 11.514 -2.265 1.00 0.33 C ATOM 903 O ASP A 61 3.878 11.446 -3.294 1.00 0.46 O ATOM 904 CB ASP A 61 5.946 13.533 -1.773 1.00 0.50 C ATOM 905 CG ASP A 61 6.147 13.832 -3.246 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.654 14.870 -3.731 1.00 1.16 O ATOM 907 OD2 ASP A 61 6.774 13.013 -3.950 1.00 2.06 O ATOM 0 H ASP A 61 5.269 12.925 0.512 1.00 0.30 H new ATOM 0 HA ASP A 61 3.794 13.462 -1.792 1.00 0.37 H new ATOM 0 HB2 ASP A 61 5.987 14.466 -1.211 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.769 12.912 -1.420 1.00 0.50 H new ATOM 912 N ASP A 62 5.182 10.473 -1.767 1.00 0.25 N ATOM 913 CA ASP A 62 5.140 9.169 -2.433 1.00 0.25 C ATOM 914 C ASP A 62 3.941 8.365 -2.002 1.00 0.23 C ATOM 915 O ASP A 62 3.492 7.494 -2.729 1.00 0.28 O ATOM 916 CB ASP A 62 6.425 8.359 -2.273 1.00 0.26 C ATOM 917 CG ASP A 62 7.565 8.908 -3.092 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.628 8.649 -4.313 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.416 9.614 -2.548 1.00 0.44 O ATOM 0 H ASP A 62 5.739 10.498 -0.913 1.00 0.25 H new ATOM 0 HA ASP A 62 5.047 9.388 -3.497 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.712 8.345 -1.222 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.237 7.326 -2.566 1.00 0.26 H new ATOM 924 N VAL A 63 3.431 8.655 -0.808 1.00 0.22 N ATOM 925 CA VAL A 63 2.186 8.059 -0.303 1.00 0.26 C ATOM 926 C VAL A 63 1.096 8.279 -1.348 1.00 0.29 C ATOM 927 O VAL A 63 0.570 7.337 -1.916 1.00 0.38 O ATOM 928 CB VAL A 63 1.759 8.733 1.061 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.368 8.330 1.473 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.712 8.368 2.179 1.00 0.27 C ATOM 0 H VAL A 63 3.866 9.310 -0.158 1.00 0.22 H new ATOM 0 HA VAL A 63 2.336 6.994 -0.123 1.00 0.26 H new ATOM 0 HB VAL A 63 1.787 9.809 0.890 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.113 8.815 2.415 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.342 8.635 0.704 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.325 7.248 1.598 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.390 8.848 3.103 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.717 7.286 2.314 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.717 8.706 1.926 1.00 0.27 H new ATOM 940 N LYS A 64 0.860 9.535 -1.655 1.00 0.27 N ATOM 941 CA LYS A 64 -0.194 9.965 -2.597 1.00 0.34 C ATOM 942 C LYS A 64 0.183 9.640 -4.068 1.00 0.32 C ATOM 943 O LYS A 64 -0.576 9.896 -5.009 1.00 0.38 O ATOM 944 CB LYS A 64 -0.419 11.461 -2.421 1.00 0.44 C ATOM 945 CG LYS A 64 0.726 12.307 -2.929 1.00 0.83 C ATOM 946 CD LYS A 64 0.665 13.702 -2.386 1.00 0.73 C ATOM 947 CE LYS A 64 1.573 14.626 -3.154 1.00 1.59 C ATOM 948 NZ LYS A 64 1.586 15.968 -2.565 1.00 2.16 N ATOM 0 H LYS A 64 1.393 10.311 -1.261 1.00 0.27 H new ATOM 0 HA LYS A 64 -1.111 9.418 -2.377 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -1.332 11.747 -2.944 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.577 11.675 -1.364 1.00 0.44 H new ATOM 0 HG2 LYS A 64 1.673 11.847 -2.646 1.00 0.83 H new ATOM 0 HG3 LYS A 64 0.700 12.339 -4.018 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -0.360 14.070 -2.437 1.00 0.73 H new ATOM 0 HD3 LYS A 64 0.951 13.698 -1.334 1.00 0.73 H new ATOM 0 HE2 LYS A 64 2.585 14.221 -3.164 1.00 1.59 H new ATOM 0 HE3 LYS A 64 1.243 14.685 -4.191 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 2.220 16.582 -3.115 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 0.624 16.362 -2.579 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 1.924 15.913 -1.583 1.00 2.16 H new ATOM 962 N ASN A 65 1.347 9.084 -4.245 1.00 0.26 N ATOM 963 CA ASN A 65 1.864 8.771 -5.559 1.00 0.29 C ATOM 964 C ASN A 65 1.375 7.409 -5.931 1.00 0.28 C ATOM 965 O ASN A 65 1.051 7.140 -7.082 1.00 0.42 O ATOM 966 CB ASN A 65 3.387 8.780 -5.549 1.00 0.36 C ATOM 967 CG ASN A 65 4.003 8.425 -6.883 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.450 8.699 -7.950 1.00 1.59 O ATOM 969 ND2 ASN A 65 5.152 7.819 -6.829 1.00 1.43 N ATOM 0 H ASN A 65 1.973 8.831 -3.481 1.00 0.26 H new ATOM 0 HA ASN A 65 1.523 9.516 -6.279 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.734 9.769 -5.250 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.741 8.076 -4.796 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.629 7.552 -7.690 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.576 7.610 -5.925 1.00 1.43 H new ATOM 976 N LEU A 66 1.271 6.575 -4.932 1.00 0.21 N ATOM 977 CA LEU A 66 0.814 5.259 -5.086 1.00 0.23 C ATOM 978 C LEU A 66 -0.695 5.336 -5.168 1.00 0.25 C ATOM 979 O LEU A 66 -1.328 6.062 -4.409 1.00 0.31 O ATOM 980 CB LEU A 66 1.186 4.411 -3.843 1.00 0.22 C ATOM 981 CG LEU A 66 2.587 4.600 -3.222 1.00 0.21 C ATOM 982 CD1 LEU A 66 2.765 3.686 -2.015 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.691 4.367 -4.236 1.00 0.23 C ATOM 0 H LEU A 66 1.513 6.818 -3.971 1.00 0.21 H new ATOM 0 HA LEU A 66 1.259 4.802 -5.970 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.448 4.616 -3.067 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.081 3.360 -4.113 1.00 0.22 H new ATOM 0 HG LEU A 66 2.661 5.636 -2.892 1.00 0.21 H new ATOM 0 HD11 LEU A 66 3.758 3.833 -1.591 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.011 3.923 -1.265 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.653 2.647 -2.326 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.660 4.510 -3.758 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.623 3.349 -4.621 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.584 5.074 -5.059 1.00 0.23 H new ATOM 995 N LYS A 67 -1.245 4.702 -6.117 1.00 0.28 N ATOM 996 CA LYS A 67 -2.685 4.560 -6.173 1.00 0.34 C ATOM 997 C LYS A 67 -3.011 3.102 -6.062 1.00 0.30 C ATOM 998 O LYS A 67 -3.927 2.694 -5.339 1.00 0.38 O ATOM 999 CB LYS A 67 -3.331 5.143 -7.458 1.00 0.46 C ATOM 1000 CG LYS A 67 -3.362 6.672 -7.589 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.991 7.277 -7.783 1.00 1.26 C ATOM 1002 CE LYS A 67 -2.064 8.783 -7.926 1.00 1.83 C ATOM 1003 NZ LYS A 67 -0.730 9.381 -8.134 1.00 2.55 N ATOM 0 H LYS A 67 -0.740 4.260 -6.885 1.00 0.28 H new ATOM 0 HA LYS A 67 -3.101 5.137 -5.347 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -2.797 4.740 -8.319 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -4.356 4.777 -7.518 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.996 6.946 -8.432 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.818 7.098 -6.695 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -1.356 7.021 -6.935 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -1.525 6.848 -8.670 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -2.711 9.037 -8.766 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -2.519 9.211 -7.033 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -0.658 10.267 -7.594 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 0.002 8.717 -7.810 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -0.593 9.581 -9.145 1.00 2.55 H new ATOM 1017 N THR A 68 -2.239 2.311 -6.759 1.00 0.23 N ATOM 1018 CA THR A 68 -2.416 0.920 -6.767 1.00 0.19 C ATOM 1019 C THR A 68 -1.397 0.259 -5.870 1.00 0.18 C ATOM 1020 O THR A 68 -0.416 0.895 -5.450 1.00 0.20 O ATOM 1021 CB THR A 68 -2.254 0.339 -8.183 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.929 0.617 -8.661 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.263 0.932 -9.148 1.00 0.22 C ATOM 0 H THR A 68 -1.466 2.639 -7.338 1.00 0.23 H new ATOM 0 HA THR A 68 -3.427 0.723 -6.410 1.00 0.19 H new ATOM 0 HB THR A 68 -2.424 -0.736 -8.128 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.822 0.247 -9.562 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.118 0.498 -10.138 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.272 0.713 -8.800 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.124 2.012 -9.201 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.564 -1.035 -5.623 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.574 -1.751 -4.880 1.00 0.18 C ATOM 1033 C VAL A 69 0.545 -2.102 -5.813 1.00 0.15 C ATOM 1034 O VAL A 69 1.648 -2.396 -5.399 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.137 -2.992 -4.086 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.636 -3.093 -4.227 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.449 -4.316 -4.429 1.00 1.21 C ATOM 0 H VAL A 69 -2.365 -1.588 -5.926 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.198 -1.105 -4.087 1.00 0.18 H new ATOM 0 HB VAL A 69 -0.898 -2.807 -3.039 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -2.996 -3.957 -3.669 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.100 -2.188 -3.834 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.896 -3.206 -5.280 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -0.893 -5.120 -3.841 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.578 -4.529 -5.490 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.614 -4.244 -4.200 1.00 1.21 H new ATOM 1047 N GLY A 70 0.269 -1.951 -7.100 1.00 0.14 N ATOM 1048 CA GLY A 70 1.291 -2.194 -8.089 1.00 0.16 C ATOM 1049 C GLY A 70 2.333 -1.115 -8.035 1.00 0.19 C ATOM 1050 O GLY A 70 3.509 -1.353 -8.297 1.00 0.33 O ATOM 0 H GLY A 70 -0.637 -1.667 -7.472 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.754 -3.165 -7.913 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.844 -2.229 -9.083 1.00 0.16 H new ATOM 1054 N ASP A 71 1.903 0.069 -7.655 1.00 0.17 N ATOM 1055 CA ASP A 71 2.819 1.190 -7.505 1.00 0.20 C ATOM 1056 C ASP A 71 3.484 1.075 -6.149 1.00 0.17 C ATOM 1057 O ASP A 71 4.710 1.080 -6.042 1.00 0.20 O ATOM 1058 CB ASP A 71 2.088 2.534 -7.563 1.00 0.32 C ATOM 1059 CG ASP A 71 3.030 3.671 -7.908 1.00 0.87 C ATOM 1060 OD1 ASP A 71 4.144 3.740 -7.363 1.00 1.28 O ATOM 1061 OD2 ASP A 71 2.701 4.461 -8.793 1.00 1.39 O ATOM 0 H ASP A 71 0.929 0.285 -7.444 1.00 0.17 H new ATOM 0 HA ASP A 71 3.541 1.156 -8.321 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.292 2.483 -8.306 1.00 0.32 H new ATOM 0 HB3 ASP A 71 1.615 2.733 -6.601 1.00 0.32 H new ATOM 1066 N ALA A 72 2.633 0.915 -5.130 1.00 0.15 N ATOM 1067 CA ALA A 72 3.025 0.821 -3.714 1.00 0.13 C ATOM 1068 C ALA A 72 4.107 -0.164 -3.504 1.00 0.12 C ATOM 1069 O ALA A 72 5.188 0.178 -3.074 1.00 0.14 O ATOM 1070 CB ALA A 72 1.832 0.367 -2.870 1.00 0.13 C ATOM 0 H ALA A 72 1.625 0.845 -5.268 1.00 0.15 H new ATOM 0 HA ALA A 72 3.371 1.812 -3.419 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.131 0.300 -1.824 1.00 0.13 H new ATOM 0 HB2 ALA A 72 1.020 1.088 -2.970 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.494 -0.611 -3.214 1.00 0.13 H new ATOM 1076 N THR A 73 3.812 -1.368 -3.850 1.00 0.11 N ATOM 1077 CA THR A 73 4.682 -2.473 -3.661 1.00 0.13 C ATOM 1078 C THR A 73 6.030 -2.275 -4.337 1.00 0.16 C ATOM 1079 O THR A 73 7.073 -2.589 -3.752 1.00 0.24 O ATOM 1080 CB THR A 73 4.017 -3.731 -4.151 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.756 -3.863 -3.494 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.858 -4.904 -3.833 1.00 0.17 C ATOM 0 H THR A 73 2.926 -1.618 -4.288 1.00 0.11 H new ATOM 0 HA THR A 73 4.881 -2.559 -2.593 1.00 0.13 H new ATOM 0 HB THR A 73 3.879 -3.677 -5.231 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.103 -3.268 -3.917 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.369 -5.810 -4.191 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.828 -4.799 -4.319 1.00 0.17 H new ATOM 0 HG23 THR A 73 4.998 -4.970 -2.754 1.00 0.17 H new ATOM 1090 N LYS A 74 5.988 -1.750 -5.545 1.00 0.17 N ATOM 1091 CA LYS A 74 7.159 -1.428 -6.300 1.00 0.20 C ATOM 1092 C LYS A 74 7.988 -0.474 -5.486 1.00 0.23 C ATOM 1093 O LYS A 74 9.117 -0.758 -5.182 1.00 0.45 O ATOM 1094 CB LYS A 74 6.710 -0.814 -7.651 1.00 0.25 C ATOM 1095 CG LYS A 74 7.773 -0.073 -8.500 1.00 0.98 C ATOM 1096 CD LYS A 74 8.017 1.374 -8.020 1.00 2.21 C ATOM 1097 CE LYS A 74 7.408 2.442 -8.936 1.00 2.92 C ATOM 1098 NZ LYS A 74 5.929 2.454 -8.941 1.00 3.63 N ATOM 0 H LYS A 74 5.117 -1.535 -6.030 1.00 0.17 H new ATOM 0 HA LYS A 74 7.767 -2.307 -6.516 1.00 0.20 H new ATOM 0 HB2 LYS A 74 6.295 -1.616 -8.261 1.00 0.25 H new ATOM 0 HB3 LYS A 74 5.898 -0.115 -7.447 1.00 0.25 H new ATOM 0 HG2 LYS A 74 8.711 -0.626 -8.464 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.453 -0.057 -9.542 1.00 0.98 H new ATOM 0 HD2 LYS A 74 7.603 1.489 -7.018 1.00 2.21 H new ATOM 0 HD3 LYS A 74 9.091 1.545 -7.943 1.00 2.21 H new ATOM 0 HE2 LYS A 74 7.769 3.422 -8.625 1.00 2.92 H new ATOM 0 HE3 LYS A 74 7.764 2.280 -9.953 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 5.588 2.891 -9.821 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 5.574 1.479 -8.879 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 5.584 3.001 -8.127 1.00 3.63 H new ATOM 1112 N TYR A 75 7.351 0.602 -5.056 1.00 0.16 N ATOM 1113 CA TYR A 75 7.985 1.658 -4.306 1.00 0.16 C ATOM 1114 C TYR A 75 8.639 1.122 -3.059 1.00 0.16 C ATOM 1115 O TYR A 75 9.810 1.412 -2.771 1.00 0.19 O ATOM 1116 CB TYR A 75 6.953 2.695 -3.903 1.00 0.16 C ATOM 1117 CG TYR A 75 7.574 3.803 -3.097 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.407 4.713 -3.700 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.250 3.993 -1.764 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.893 5.783 -3.015 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.757 5.064 -1.064 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.840 5.692 -1.542 1.00 0.28 C ATOM 1123 OH TYR A 75 9.045 7.072 -1.041 1.00 0.40 O ATOM 0 H TYR A 75 6.358 0.763 -5.225 1.00 0.16 H new ATOM 0 HA TYR A 75 8.747 2.108 -4.943 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.485 3.111 -4.795 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.164 2.218 -3.322 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.681 4.577 -4.736 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.593 3.294 -1.269 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.295 6.649 -3.519 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.291 5.392 -0.147 1.00 0.26 H new ATOM 0 HH TYR A 75 9.609 7.568 -1.671 1.00 0.40 H new ATOM 1133 N ILE A 76 7.863 0.369 -2.327 1.00 0.14 N ATOM 1134 CA ILE A 76 8.273 -0.238 -1.099 1.00 0.16 C ATOM 1135 C ILE A 76 9.508 -1.076 -1.325 1.00 0.17 C ATOM 1136 O ILE A 76 10.573 -0.712 -0.868 1.00 0.21 O ATOM 1137 CB ILE A 76 7.113 -1.095 -0.555 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.971 -0.182 -0.152 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.546 -1.945 0.626 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.660 -0.890 -0.026 1.00 0.13 C ATOM 0 H ILE A 76 6.898 0.157 -2.581 1.00 0.14 H new ATOM 0 HA ILE A 76 8.520 0.530 -0.366 1.00 0.16 H new ATOM 0 HB ILE A 76 6.789 -1.776 -1.342 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.213 0.291 0.800 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.876 0.615 -0.889 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.700 -2.534 0.980 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.350 -2.614 0.318 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.900 -1.299 1.429 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.888 -0.177 0.265 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.396 -1.340 -0.983 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.739 -1.669 0.732 1.00 0.13 H new ATOM 1152 N LEU A 77 9.365 -2.135 -2.089 1.00 0.17 N ATOM 1153 CA LEU A 77 10.435 -3.075 -2.376 1.00 0.20 C ATOM 1154 C LEU A 77 11.671 -2.339 -2.894 1.00 0.22 C ATOM 1155 O LEU A 77 12.778 -2.521 -2.390 1.00 0.29 O ATOM 1156 CB LEU A 77 9.891 -4.047 -3.436 1.00 0.23 C ATOM 1157 CG LEU A 77 10.725 -5.234 -3.940 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.811 -6.082 -4.766 1.00 1.08 C ATOM 1159 CD2 LEU A 77 11.894 -4.802 -4.823 1.00 1.44 C ATOM 0 H LEU A 77 8.483 -2.376 -2.541 1.00 0.17 H new ATOM 0 HA LEU A 77 10.740 -3.612 -1.478 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.961 -4.458 -3.042 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.630 -3.449 -4.310 1.00 0.23 H new ATOM 0 HG LEU A 77 11.142 -5.758 -3.080 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.360 -6.943 -5.149 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.979 -6.426 -4.151 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.427 -5.496 -5.601 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.448 -5.682 -5.150 1.00 1.44 H new ATOM 0 HD22 LEU A 77 11.514 -4.268 -5.694 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.556 -4.147 -4.256 1.00 1.44 H new ATOM 1171 N ASP A 78 11.441 -1.452 -3.830 1.00 0.22 N ATOM 1172 CA ASP A 78 12.493 -0.754 -4.567 1.00 0.29 C ATOM 1173 C ASP A 78 13.287 0.189 -3.682 1.00 0.30 C ATOM 1174 O ASP A 78 14.437 0.505 -3.956 1.00 0.36 O ATOM 1175 CB ASP A 78 11.881 -0.058 -5.811 1.00 0.45 C ATOM 1176 CG ASP A 78 12.771 0.947 -6.507 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.750 0.528 -7.153 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.551 2.169 -6.365 1.00 0.59 O ATOM 0 H ASP A 78 10.500 -1.181 -4.115 1.00 0.22 H new ATOM 0 HA ASP A 78 13.221 -1.485 -4.919 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.599 -0.826 -6.532 1.00 0.45 H new ATOM 0 HB3 ASP A 78 10.964 0.446 -5.507 1.00 0.45 H new ATOM 1183 N HIS A 79 12.687 0.602 -2.598 1.00 0.29 N ATOM 1184 CA HIS A 79 13.344 1.473 -1.649 1.00 0.36 C ATOM 1185 C HIS A 79 13.837 0.740 -0.391 1.00 0.42 C ATOM 1186 O HIS A 79 14.321 1.379 0.550 1.00 0.58 O ATOM 1187 CB HIS A 79 12.472 2.672 -1.293 1.00 0.38 C ATOM 1188 CG HIS A 79 12.481 3.778 -2.303 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.730 5.093 -1.976 1.00 0.99 N ATOM 1190 CD2 HIS A 79 12.241 3.770 -3.631 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.644 5.831 -3.055 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.349 5.059 -4.071 1.00 1.18 N ATOM 0 H HIS A 79 11.732 0.348 -2.344 1.00 0.29 H new ATOM 0 HA HIS A 79 14.238 1.844 -2.150 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.446 2.330 -1.159 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.803 3.072 -0.334 1.00 0.38 H new ATOM 0 HD2 HIS A 79 12.007 2.905 -4.234 1.00 0.87 H new ATOM 0 HE1 HIS A 79 12.792 6.900 -3.099 1.00 1.25 H new ATOM 0 HE2 HIS A 79 12.221 5.370 -5.034 1.00 1.18 H new ATOM 1201 N GLN A 80 13.696 -0.581 -0.344 1.00 0.39 N ATOM 1202 CA GLN A 80 14.234 -1.337 0.784 1.00 0.49 C ATOM 1203 C GLN A 80 15.168 -2.408 0.392 1.00 0.58 C ATOM 1204 O GLN A 80 16.385 -2.200 0.381 1.00 0.83 O ATOM 1205 CB GLN A 80 13.194 -1.762 1.831 1.00 0.67 C ATOM 1206 CG GLN A 80 11.873 -2.166 1.256 1.00 0.52 C ATOM 1207 CD GLN A 80 11.544 -3.623 1.345 1.00 0.57 C ATOM 1208 OE1 GLN A 80 12.407 -4.475 1.394 1.00 0.87 O ATOM 1209 NE2 GLN A 80 10.289 -3.916 1.320 1.00 0.56 N ATOM 0 H GLN A 80 13.225 -1.141 -1.055 1.00 0.39 H new ATOM 0 HA GLN A 80 14.849 -0.612 1.316 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.596 -2.595 2.408 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.038 -0.938 2.527 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.089 -1.604 1.764 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.849 -1.870 0.207 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.592 -3.172 1.279 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.993 -4.892 1.341 1.00 0.56 H new ATOM 1218 N ALA A 81 14.643 -3.499 0.071 1.00 0.71 N ATOM 1219 CA ALA A 81 15.426 -4.604 -0.325 1.00 1.01 C ATOM 1220 C ALA A 81 14.793 -5.371 -1.478 1.00 1.44 C ATOM 1221 O ALA A 81 15.220 -5.169 -2.633 1.00 1.97 O ATOM 1222 CB ALA A 81 15.752 -5.514 0.833 1.00 1.30 C ATOM 1223 OXT ALA A 81 13.874 -6.165 -1.246 1.00 1.97 O ATOM 0 H ALA A 81 13.638 -3.671 0.070 1.00 0.71 H new ATOM 0 HA ALA A 81 16.370 -4.199 -0.689 1.00 1.01 H new ATOM 0 HB1 ALA A 81 16.356 -6.350 0.480 1.00 1.30 H new ATOM 0 HB2 ALA A 81 16.308 -4.958 1.588 1.00 1.30 H new ATOM 0 HB3 ALA A 81 14.828 -5.893 1.269 1.00 1.30 H new TER 1229 ALA A 81 HETATM 1230 C1 SYO A 101 -2.948 7.301 0.338 1.00 0.56 C HETATM 1231 S1 SYO A 101 -2.855 9.031 0.862 1.00 0.76 S HETATM 1232 C2 SYO A 101 -2.353 7.021 -0.997 1.00 0.69 C HETATM 1233 C3 SYO A 101 -2.712 5.666 -1.515 1.00 0.54 C HETATM 1234 O3 SYO A 101 -3.901 5.355 -1.753 1.00 0.86 O HETATM 1235 C4 SYO A 101 -1.597 4.723 -1.764 1.00 0.47 C HETATM 1236 C5 SYO A 101 -1.667 3.464 -0.949 1.00 0.58 C HETATM 1237 C6 SYO A 101 -0.282 2.990 -0.600 1.00 0.57 C HETATM 1238 C7 SYO A 101 -0.305 1.788 0.311 1.00 0.49 C HETATM 1239 C8 SYO A 101 1.110 1.423 0.670 1.00 0.47 C HETATM 1240 O23 SYO A 101 -11.690 9.400 -1.017 1.00 1.37 O HETATM 1241 P24 SYO A 101 -10.301 9.906 -0.871 1.00 0.96 P HETATM 1242 O26 SYO A 101 -10.138 11.281 -0.299 1.00 1.27 O HETATM 1243 O27 SYO A 101 -9.672 9.883 -2.293 1.00 1.04 O HETATM 1244 C28 SYO A 101 -8.276 10.250 -2.472 1.00 0.84 C HETATM 1245 C29 SYO A 101 -8.077 10.725 -3.936 1.00 0.82 C HETATM 1246 C30 SYO A 101 -9.096 11.812 -4.160 1.00 1.03 C HETATM 1247 C31 SYO A 101 -6.672 11.313 -4.122 1.00 0.73 C HETATM 1248 C32 SYO A 101 -8.336 9.546 -4.997 1.00 0.93 C HETATM 1249 O33 SYO A 101 -8.561 10.056 -6.300 1.00 1.10 O HETATM 1250 C34 SYO A 101 -7.204 8.547 -5.097 1.00 0.83 C HETATM 1251 O35 SYO A 101 -6.766 8.230 -6.208 1.00 0.96 O HETATM 1252 N36 SYO A 101 -6.754 8.078 -3.994 1.00 0.71 N HETATM 1253 C37 SYO A 101 -5.657 7.107 -3.855 1.00 0.70 C HETATM 1254 C38 SYO A 101 -4.297 7.679 -4.293 1.00 0.66 C HETATM 1255 C39 SYO A 101 -3.909 8.973 -3.627 1.00 0.47 C HETATM 1256 O40 SYO A 101 -3.411 9.903 -4.256 1.00 0.53 O HETATM 1257 N41 SYO A 101 -4.163 9.016 -2.355 1.00 0.38 N HETATM 1258 C42 SYO A 101 -3.895 10.140 -1.512 1.00 0.43 C HETATM 1259 C43 SYO A 101 -4.182 9.847 -0.057 1.00 0.71 C HETATM 0 HO33 SYO A 101 -7.958 9.613 -6.933 1.00 1.10 H new HETATM 0 HN41 SYO A 101 -4.583 8.191 -1.927 1.00 0.38 H new HETATM 0 HN36 SYO A 101 -7.195 8.407 -3.135 1.00 0.71 H new HETATM 0 H43A SYO A 101 -5.073 9.222 -0.001 1.00 0.71 H new HETATM 0 H42A SYO A 101 -2.851 10.433 -1.622 1.00 0.43 H new HETATM 0 H38A SYO A 101 -3.525 6.937 -4.090 1.00 0.66 H new HETATM 0 H37A SYO A 101 -5.593 6.784 -2.816 1.00 0.70 H new HETATM 0 H31B SYO A 101 -6.542 12.163 -3.453 1.00 0.73 H new HETATM 0 H31A SYO A 101 -5.926 10.553 -3.892 1.00 0.73 H new HETATM 0 H30B SYO A 101 -10.097 11.409 -4.009 1.00 1.03 H new HETATM 0 H30A SYO A 101 -8.922 12.625 -3.455 1.00 1.03 H new HETATM 0 H28A SYO A 101 -8.000 11.042 -1.776 1.00 0.84 H new HETATM 0 H8B SYO A 101 1.666 1.187 -0.237 1.00 0.47 H new HETATM 0 H8A SYO A 101 1.584 2.262 1.179 1.00 0.47 H new HETATM 0 H8 SYO A 101 1.106 0.555 1.329 1.00 0.47 H new HETATM 0 H7A SYO A 101 -0.878 2.008 1.212 1.00 0.49 H new HETATM 0 H7 SYO A 101 -0.797 0.950 -0.183 1.00 0.49 H new HETATM 0 H6A SYO A 101 0.256 2.741 -1.514 1.00 0.57 H new HETATM 0 H6 SYO A 101 0.267 3.799 -0.118 1.00 0.57 H new HETATM 0 H5A SYO A 101 -2.238 3.644 -0.038 1.00 0.58 H new HETATM 0 H5 SYO A 101 -2.194 2.690 -1.507 1.00 0.58 H new HETATM 0 H4A SYO A 101 -1.588 4.459 -2.821 1.00 0.47 H new HETATM 0 H43 SYO A 101 -4.419 10.786 0.443 1.00 0.71 H new HETATM 0 H42 SYO A 101 -4.500 10.987 -1.836 1.00 0.43 H new HETATM 0 H4 SYO A 101 -0.654 5.228 -1.553 1.00 0.47 H new HETATM 0 H38 SYO A 101 -4.315 7.834 -5.372 1.00 0.66 H new HETATM 0 H37 SYO A 101 -5.883 6.222 -4.450 1.00 0.70 H new HETATM 0 H32 SYO A 101 -9.220 9.036 -4.614 1.00 0.93 H new HETATM 0 H31 SYO A 101 -6.549 11.641 -5.154 1.00 0.73 H new HETATM 0 H30 SYO A 101 -9.007 12.190 -5.178 1.00 1.03 H new HETATM 0 H2A SYO A 101 -2.689 7.777 -1.706 1.00 0.69 H new HETATM 0 H28 SYO A 101 -7.630 9.398 -2.259 1.00 0.84 H new HETATM 0 H2 SYO A 101 -1.268 7.105 -0.932 1.00 0.69 H new HETATM 0 H1A SYO A 101 -2.444 6.683 1.082 1.00 0.56 H new HETATM 0 H1 SYO A 101 -3.994 6.995 0.325 1.00 0.56 H new