USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=13 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 Set 1.1: A 4 GLN : amide:sc= 0.807 K(o=2.5,f=1.3) USER MOD Set 1.2: A 73 THR OG1 : rot -4:sc= 1.71 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 16 ASN : amide:sc= 1.16 K(o=1.2,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -115:sc= 0.00485 (180deg=0) USER MOD Single : A 31 SER OG : rot 75:sc= -0.79! USER MOD Single : A 33 THR OG1 : rot 170:sc= 1.19 USER MOD Single : A 42 SER OG : rot 24:sc= 1.22 USER MOD Single : A 43 MET CE :methyl -174:sc= -3.15! (180deg=-3.38!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00924) USER MOD Single : A 68 THR OG1 : rot 130:sc= 0.944 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= -0.0333 (180deg=-0.213) USER MOD Single : A 75 TYR OH : rot -155:sc= 0.81 USER MOD Single : A 79 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.8!) USER MOD Single : A 80 GLN : amide:sc= 0.423 K(o=0.42,f=-1.5) USER MOD Single : A 101 SXO O33 : rot 136:sc= 0.0625 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.621 10.901 -2.785 1.00 2.17 N ATOM 2 CA ALA A 1 11.897 10.006 -3.685 1.00 1.67 C ATOM 3 C ALA A 1 10.392 10.237 -3.558 1.00 1.37 C ATOM 4 O ALA A 1 9.713 10.461 -4.557 1.00 1.65 O ATOM 5 CB ALA A 1 12.245 8.552 -3.391 1.00 2.09 C ATOM 0 H1 ALA A 1 13.643 10.736 -2.879 1.00 2.17 H new ATOM 0 H2 ALA A 1 12.406 11.888 -3.030 1.00 2.17 H new ATOM 0 H3 ALA A 1 12.330 10.717 -1.804 1.00 2.17 H new ATOM 0 HA ALA A 1 12.197 10.225 -4.710 1.00 1.67 H new ATOM 0 HB1 ALA A 1 11.696 7.902 -4.072 1.00 2.09 H new ATOM 0 HB2 ALA A 1 13.316 8.399 -3.528 1.00 2.09 H new ATOM 0 HB3 ALA A 1 11.973 8.314 -2.363 1.00 2.09 H new ATOM 13 N ALA A 2 9.885 10.165 -2.318 1.00 1.12 N ATOM 14 CA ALA A 2 8.472 10.390 -1.987 1.00 0.91 C ATOM 15 C ALA A 2 8.312 10.209 -0.505 1.00 0.87 C ATOM 16 O ALA A 2 8.974 9.351 0.076 1.00 1.07 O ATOM 17 CB ALA A 2 7.553 9.408 -2.713 1.00 0.92 C ATOM 0 H ALA A 2 10.457 9.945 -1.503 1.00 1.12 H new ATOM 0 HA ALA A 2 8.193 11.396 -2.302 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.517 9.609 -2.440 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.674 9.525 -3.790 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.812 8.388 -2.428 1.00 0.92 H new ATOM 23 N THR A 3 7.490 11.001 0.118 1.00 0.76 N ATOM 24 CA THR A 3 7.280 10.850 1.535 1.00 0.76 C ATOM 25 C THR A 3 5.955 10.131 1.781 1.00 0.56 C ATOM 26 O THR A 3 5.332 9.698 0.838 1.00 0.48 O ATOM 27 CB THR A 3 7.345 12.198 2.287 1.00 0.97 C ATOM 28 OG1 THR A 3 8.095 13.148 1.503 1.00 1.45 O ATOM 29 CG2 THR A 3 8.046 12.030 3.633 1.00 1.57 C ATOM 0 H THR A 3 6.958 11.751 -0.323 1.00 0.76 H new ATOM 0 HA THR A 3 8.092 10.244 1.937 1.00 0.76 H new ATOM 0 HB THR A 3 6.326 12.550 2.449 1.00 0.97 H new ATOM 0 HG1 THR A 3 7.574 13.405 0.714 1.00 1.45 H new ATOM 0 HG21 THR A 3 8.082 12.991 4.147 1.00 1.57 H new ATOM 0 HG22 THR A 3 7.497 11.312 4.242 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.061 11.667 3.472 1.00 1.57 H new ATOM 37 N GLN A 4 5.500 10.072 3.023 1.00 0.58 N ATOM 38 CA GLN A 4 4.333 9.285 3.384 1.00 0.52 C ATOM 39 C GLN A 4 3.068 9.748 2.689 1.00 0.49 C ATOM 40 O GLN A 4 2.283 8.923 2.253 1.00 0.51 O ATOM 41 CB GLN A 4 4.167 9.200 4.900 1.00 0.65 C ATOM 42 CG GLN A 4 5.295 8.433 5.567 1.00 1.14 C ATOM 43 CD GLN A 4 5.180 8.369 7.074 1.00 1.21 C ATOM 44 OE1 GLN A 4 5.700 9.240 7.783 1.00 1.64 O ATOM 45 NE2 GLN A 4 4.539 7.344 7.576 1.00 1.76 N ATOM 0 H GLN A 4 5.928 10.567 3.806 1.00 0.58 H new ATOM 0 HA GLN A 4 4.512 8.274 3.019 1.00 0.52 H new ATOM 0 HB2 GLN A 4 4.122 10.207 5.314 1.00 0.65 H new ATOM 0 HB3 GLN A 4 3.217 8.718 5.132 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.317 7.418 5.170 1.00 1.14 H new ATOM 0 HG3 GLN A 4 6.245 8.899 5.304 1.00 1.14 H new ATOM 0 HE21 GLN A 4 4.125 6.648 6.956 1.00 1.76 H new ATOM 0 HE22 GLN A 4 4.454 7.241 8.587 1.00 1.76 H new ATOM 54 N GLU A 5 2.903 11.052 2.530 1.00 0.53 N ATOM 55 CA GLU A 5 1.744 11.582 1.823 1.00 0.58 C ATOM 56 C GLU A 5 1.747 11.115 0.375 1.00 0.53 C ATOM 57 O GLU A 5 0.754 10.582 -0.116 1.00 0.60 O ATOM 58 CB GLU A 5 1.701 13.108 1.865 1.00 0.72 C ATOM 59 CG GLU A 5 1.529 13.720 3.239 1.00 1.48 C ATOM 60 CD GLU A 5 0.219 13.364 3.894 1.00 2.18 C ATOM 61 OE1 GLU A 5 -0.818 13.424 3.222 1.00 2.49 O ATOM 62 OE2 GLU A 5 0.219 12.952 5.073 1.00 3.05 O ATOM 0 H GLU A 5 3.551 11.759 2.877 1.00 0.53 H new ATOM 0 HA GLU A 5 0.857 11.203 2.330 1.00 0.58 H new ATOM 0 HB2 GLU A 5 2.623 13.492 1.429 1.00 0.72 H new ATOM 0 HB3 GLU A 5 0.883 13.448 1.230 1.00 0.72 H new ATOM 0 HG2 GLU A 5 2.348 13.392 3.880 1.00 1.48 H new ATOM 0 HG3 GLU A 5 1.603 14.804 3.157 1.00 1.48 H new ATOM 69 N GLU A 6 2.867 11.304 -0.285 1.00 0.50 N ATOM 70 CA GLU A 6 3.035 10.925 -1.672 1.00 0.50 C ATOM 71 C GLU A 6 2.986 9.414 -1.823 1.00 0.42 C ATOM 72 O GLU A 6 2.450 8.897 -2.809 1.00 0.43 O ATOM 73 CB GLU A 6 4.355 11.453 -2.263 1.00 0.59 C ATOM 74 CG GLU A 6 4.629 12.934 -2.034 1.00 1.06 C ATOM 75 CD GLU A 6 5.309 13.206 -0.713 1.00 1.75 C ATOM 76 OE1 GLU A 6 4.667 13.135 0.335 1.00 2.53 O ATOM 77 OE2 GLU A 6 6.536 13.450 -0.708 1.00 2.16 O ATOM 0 H GLU A 6 3.696 11.730 0.129 1.00 0.50 H new ATOM 0 HA GLU A 6 2.211 11.378 -2.224 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.179 10.879 -1.838 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.354 11.263 -3.336 1.00 0.59 H new ATOM 0 HG2 GLU A 6 5.253 13.313 -2.843 1.00 1.06 H new ATOM 0 HG3 GLU A 6 3.688 13.483 -2.073 1.00 1.06 H new ATOM 84 N ILE A 7 3.531 8.705 -0.842 1.00 0.36 N ATOM 85 CA ILE A 7 3.528 7.264 -0.874 1.00 0.33 C ATOM 86 C ILE A 7 2.074 6.763 -0.805 1.00 0.30 C ATOM 87 O ILE A 7 1.624 6.001 -1.652 1.00 0.30 O ATOM 88 CB ILE A 7 4.395 6.619 0.268 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.913 6.854 0.026 1.00 0.40 C ATOM 90 CG2 ILE A 7 4.116 5.124 0.392 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.470 6.242 -1.264 1.00 0.45 C ATOM 0 H ILE A 7 3.978 9.112 -0.020 1.00 0.36 H new ATOM 0 HA ILE A 7 3.990 6.952 -1.811 1.00 0.33 H new ATOM 0 HB ILE A 7 4.113 7.107 1.201 1.00 0.36 H new ATOM 0 HG12 ILE A 7 6.100 7.928 0.010 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.467 6.446 0.872 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.729 4.704 1.189 1.00 0.40 H new ATOM 0 HG22 ILE A 7 3.063 4.969 0.625 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.357 4.630 -0.549 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.535 6.461 -1.340 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.322 5.162 -1.248 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.950 6.667 -2.122 1.00 0.45 H new ATOM 103 N VAL A 8 1.334 7.246 0.183 1.00 0.31 N ATOM 104 CA VAL A 8 -0.065 6.866 0.357 1.00 0.35 C ATOM 105 C VAL A 8 -0.922 7.322 -0.845 1.00 0.34 C ATOM 106 O VAL A 8 -1.834 6.607 -1.277 1.00 0.36 O ATOM 107 CB VAL A 8 -0.639 7.401 1.701 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.094 7.068 1.843 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.109 6.799 2.862 1.00 0.49 C ATOM 0 H VAL A 8 1.679 7.905 0.881 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.107 5.778 0.398 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.521 8.485 1.699 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.465 7.455 2.792 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.652 7.520 1.023 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.224 5.986 1.817 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.302 7.181 3.797 1.00 0.49 H new ATOM 0 HG22 VAL A 8 0.007 5.714 2.837 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.164 7.066 2.793 1.00 0.49 H new ATOM 119 N ALA A 9 -0.587 8.481 -1.406 1.00 0.37 N ATOM 120 CA ALA A 9 -1.266 8.999 -2.596 1.00 0.41 C ATOM 121 C ALA A 9 -1.103 8.027 -3.753 1.00 0.37 C ATOM 122 O ALA A 9 -2.058 7.743 -4.489 1.00 0.43 O ATOM 123 CB ALA A 9 -0.698 10.348 -2.992 1.00 0.48 C ATOM 0 H ALA A 9 0.156 9.085 -1.054 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.324 9.115 -2.361 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.216 10.715 -3.878 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -0.834 11.055 -2.173 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.365 10.245 -3.210 1.00 0.48 H new ATOM 129 N GLY A 10 0.104 7.502 -3.892 1.00 0.33 N ATOM 130 CA GLY A 10 0.386 6.557 -4.934 1.00 0.34 C ATOM 131 C GLY A 10 -0.356 5.269 -4.700 1.00 0.31 C ATOM 132 O GLY A 10 -0.897 4.686 -5.633 1.00 0.37 O ATOM 0 H GLY A 10 0.898 7.721 -3.290 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.101 6.976 -5.899 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.458 6.363 -4.975 1.00 0.34 H new ATOM 136 N LEU A 11 -0.394 4.846 -3.440 1.00 0.26 N ATOM 137 CA LEU A 11 -1.116 3.646 -3.027 1.00 0.25 C ATOM 138 C LEU A 11 -2.567 3.731 -3.435 1.00 0.23 C ATOM 139 O LEU A 11 -3.080 2.852 -4.129 1.00 0.24 O ATOM 140 CB LEU A 11 -1.028 3.452 -1.505 1.00 0.28 C ATOM 141 CG LEU A 11 0.339 3.087 -0.938 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.295 3.090 0.584 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.757 1.717 -1.436 1.00 0.32 C ATOM 0 H LEU A 11 0.077 5.327 -2.674 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.652 2.793 -3.523 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.360 4.373 -1.025 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.734 2.671 -1.220 1.00 0.28 H new ATOM 0 HG LEU A 11 1.066 3.827 -1.273 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.277 2.828 0.977 1.00 0.33 H new ATOM 0 HD12 LEU A 11 0.016 4.082 0.938 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.440 2.362 0.928 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.735 1.464 -1.026 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.026 0.975 -1.116 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.811 1.726 -2.525 1.00 0.32 H new ATOM 155 N ALA A 12 -3.203 4.825 -3.052 1.00 0.23 N ATOM 156 CA ALA A 12 -4.613 5.042 -3.312 1.00 0.23 C ATOM 157 C ALA A 12 -4.943 5.034 -4.790 1.00 0.21 C ATOM 158 O ALA A 12 -6.028 4.625 -5.169 1.00 0.24 O ATOM 159 CB ALA A 12 -5.083 6.317 -2.687 1.00 0.28 C ATOM 0 H ALA A 12 -2.752 5.590 -2.550 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.142 4.204 -2.857 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.144 6.456 -2.897 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.929 6.272 -1.609 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.519 7.154 -3.099 1.00 0.28 H new ATOM 165 N GLU A 13 -4.000 5.443 -5.618 1.00 0.24 N ATOM 166 CA GLU A 13 -4.187 5.448 -7.027 1.00 0.29 C ATOM 167 C GLU A 13 -4.396 4.031 -7.542 1.00 0.28 C ATOM 168 O GLU A 13 -5.326 3.768 -8.319 1.00 0.37 O ATOM 169 CB GLU A 13 -3.013 6.145 -7.698 1.00 0.42 C ATOM 170 CG GLU A 13 -2.849 5.798 -9.140 1.00 0.94 C ATOM 171 CD GLU A 13 -1.762 6.580 -9.799 1.00 1.53 C ATOM 172 OE1 GLU A 13 -0.577 6.334 -9.508 1.00 2.48 O ATOM 173 OE2 GLU A 13 -2.064 7.426 -10.658 1.00 1.55 O ATOM 0 H GLU A 13 -3.086 5.779 -5.315 1.00 0.24 H new ATOM 0 HA GLU A 13 -5.088 6.008 -7.276 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -3.142 7.223 -7.606 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -2.097 5.887 -7.166 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -2.632 4.734 -9.231 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -3.789 5.978 -9.662 1.00 0.94 H new ATOM 180 N ILE A 14 -3.588 3.107 -7.078 1.00 0.24 N ATOM 181 CA ILE A 14 -3.768 1.756 -7.508 1.00 0.28 C ATOM 182 C ILE A 14 -4.929 1.110 -6.734 1.00 0.25 C ATOM 183 O ILE A 14 -5.648 0.289 -7.274 1.00 0.32 O ATOM 184 CB ILE A 14 -2.471 0.849 -7.486 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.348 1.377 -8.401 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.813 -0.554 -7.934 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.646 2.609 -7.921 1.00 0.44 C ATOM 0 H ILE A 14 -2.823 3.266 -6.422 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.015 1.818 -8.568 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.110 0.863 -6.458 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.608 0.587 -8.531 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.772 1.582 -9.384 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -1.915 -1.171 -7.916 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.559 -0.979 -7.262 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.213 -0.525 -8.948 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.123 2.892 -8.639 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.365 3.422 -7.820 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.184 2.411 -6.954 1.00 0.44 H new ATOM 199 N VAL A 15 -5.174 1.553 -5.488 1.00 0.22 N ATOM 200 CA VAL A 15 -6.310 1.020 -4.724 1.00 0.22 C ATOM 201 C VAL A 15 -7.632 1.427 -5.405 1.00 0.22 C ATOM 202 O VAL A 15 -8.634 0.714 -5.350 1.00 0.25 O ATOM 203 CB VAL A 15 -6.318 1.409 -3.199 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.464 0.719 -2.464 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.017 1.030 -2.522 1.00 0.34 C ATOM 0 H VAL A 15 -4.618 2.257 -5.002 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.199 -0.064 -4.733 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.447 2.490 -3.153 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.446 1.005 -1.412 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.414 1.020 -2.906 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.352 -0.362 -2.548 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.058 1.313 -1.470 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -4.865 -0.046 -2.602 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.190 1.550 -3.006 1.00 0.34 H new ATOM 215 N ASN A 16 -7.600 2.541 -6.100 1.00 0.24 N ATOM 216 CA ASN A 16 -8.732 3.000 -6.892 1.00 0.30 C ATOM 217 C ASN A 16 -8.919 2.106 -8.111 1.00 0.34 C ATOM 218 O ASN A 16 -10.040 1.752 -8.474 1.00 0.43 O ATOM 219 CB ASN A 16 -8.527 4.446 -7.345 1.00 0.37 C ATOM 220 CG ASN A 16 -9.637 4.916 -8.258 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.563 4.783 -9.475 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.655 5.457 -7.692 1.00 0.48 N ATOM 0 H ASN A 16 -6.790 3.160 -6.136 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.624 2.951 -6.267 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.476 5.096 -6.471 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.571 4.532 -7.862 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.435 5.792 -8.258 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.684 5.552 -6.677 1.00 0.48 H new ATOM 229 N GLU A 17 -7.825 1.730 -8.711 1.00 0.37 N ATOM 230 CA GLU A 17 -7.843 0.888 -9.884 1.00 0.48 C ATOM 231 C GLU A 17 -8.298 -0.533 -9.501 1.00 0.47 C ATOM 232 O GLU A 17 -9.145 -1.123 -10.152 1.00 0.60 O ATOM 233 CB GLU A 17 -6.440 0.856 -10.495 1.00 0.63 C ATOM 234 CG GLU A 17 -6.358 0.205 -11.857 1.00 1.05 C ATOM 235 CD GLU A 17 -7.143 0.959 -12.900 1.00 1.51 C ATOM 236 OE1 GLU A 17 -6.671 2.014 -13.361 1.00 1.70 O ATOM 237 OE2 GLU A 17 -8.219 0.489 -13.310 1.00 2.11 O ATOM 0 H GLU A 17 -6.890 1.997 -8.403 1.00 0.37 H new ATOM 0 HA GLU A 17 -8.545 1.287 -10.617 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -6.069 1.878 -10.573 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -5.774 0.327 -9.814 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -5.314 0.143 -12.165 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -6.732 -0.817 -11.792 1.00 1.05 H new ATOM 244 N ILE A 18 -7.757 -1.037 -8.411 1.00 0.39 N ATOM 245 CA ILE A 18 -8.044 -2.387 -7.935 1.00 0.43 C ATOM 246 C ILE A 18 -9.443 -2.495 -7.323 1.00 0.44 C ATOM 247 O ILE A 18 -10.240 -3.337 -7.739 1.00 0.53 O ATOM 248 CB ILE A 18 -6.977 -2.788 -6.866 1.00 0.44 C ATOM 249 CG1 ILE A 18 -5.589 -2.841 -7.500 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.312 -4.095 -6.159 1.00 0.50 C ATOM 251 CD1 ILE A 18 -5.465 -3.802 -8.668 1.00 0.71 C ATOM 0 H ILE A 18 -7.101 -0.524 -7.822 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.005 -3.061 -8.790 1.00 0.43 H new ATOM 0 HB ILE A 18 -6.985 -2.017 -6.096 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.320 -1.841 -7.839 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -4.865 -3.123 -6.736 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -6.536 -4.323 -5.428 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.272 -3.998 -5.651 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -7.368 -4.901 -6.891 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -4.447 -3.774 -9.056 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -5.699 -4.813 -8.334 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.161 -3.510 -9.455 1.00 0.71 H new ATOM 263 N ALA A 19 -9.737 -1.638 -6.371 1.00 0.40 N ATOM 264 CA ALA A 19 -10.989 -1.713 -5.640 1.00 0.46 C ATOM 265 C ALA A 19 -11.925 -0.586 -6.014 1.00 0.45 C ATOM 266 O ALA A 19 -13.099 -0.806 -6.302 1.00 0.68 O ATOM 267 CB ALA A 19 -10.712 -1.682 -4.159 1.00 0.52 C ATOM 0 H ALA A 19 -9.124 -0.876 -6.081 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.479 -2.650 -5.906 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.653 -1.738 -3.612 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.083 -2.530 -3.889 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.199 -0.755 -3.904 1.00 0.52 H new ATOM 273 N GLY A 20 -11.412 0.611 -6.016 1.00 0.44 N ATOM 274 CA GLY A 20 -12.240 1.741 -6.358 1.00 0.46 C ATOM 275 C GLY A 20 -12.612 2.588 -5.166 1.00 0.52 C ATOM 276 O GLY A 20 -13.780 2.696 -4.812 1.00 0.93 O ATOM 0 H GLY A 20 -10.442 0.832 -5.790 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -11.716 2.360 -7.086 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.150 1.384 -6.840 1.00 0.46 H new ATOM 280 N ILE A 21 -11.627 3.154 -4.532 1.00 0.38 N ATOM 281 CA ILE A 21 -11.861 4.094 -3.455 1.00 0.39 C ATOM 282 C ILE A 21 -11.590 5.493 -3.951 1.00 0.43 C ATOM 283 O ILE A 21 -10.901 5.654 -4.966 1.00 0.50 O ATOM 284 CB ILE A 21 -11.007 3.796 -2.161 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.539 3.388 -2.456 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.682 2.788 -1.267 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.649 4.472 -3.035 1.00 0.43 C ATOM 0 H ILE A 21 -10.643 2.984 -4.739 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.904 3.988 -3.156 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.952 4.746 -1.629 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.089 3.033 -1.529 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.549 2.546 -3.148 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.063 2.610 -0.388 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.654 3.171 -0.955 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.818 1.853 -1.811 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.648 4.072 -3.199 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.063 4.815 -3.983 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.595 5.309 -2.339 1.00 0.43 H new ATOM 299 N PRO A 22 -12.139 6.516 -3.302 1.00 0.52 N ATOM 300 CA PRO A 22 -11.809 7.885 -3.628 1.00 0.60 C ATOM 301 C PRO A 22 -10.347 8.133 -3.273 1.00 0.55 C ATOM 302 O PRO A 22 -9.864 7.662 -2.227 1.00 0.52 O ATOM 303 CB PRO A 22 -12.723 8.719 -2.709 1.00 0.74 C ATOM 304 CG PRO A 22 -13.779 7.779 -2.248 1.00 0.75 C ATOM 305 CD PRO A 22 -13.140 6.429 -2.221 1.00 0.63 C ATOM 0 HA PRO A 22 -11.946 8.128 -4.682 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -12.166 9.128 -1.866 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -13.155 9.564 -3.246 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -14.146 8.058 -1.260 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.636 7.793 -2.922 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.676 6.221 -1.257 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.864 5.635 -2.404 1.00 0.63 H new ATOM 313 N VAL A 23 -9.654 8.896 -4.071 1.00 0.62 N ATOM 314 CA VAL A 23 -8.232 9.138 -3.854 1.00 0.65 C ATOM 315 C VAL A 23 -8.032 10.301 -2.840 1.00 0.73 C ATOM 316 O VAL A 23 -7.040 11.028 -2.838 1.00 1.02 O ATOM 317 CB VAL A 23 -7.485 9.377 -5.205 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.870 10.699 -5.866 1.00 1.48 C ATOM 319 CG2 VAL A 23 -5.977 9.216 -5.055 1.00 1.35 C ATOM 0 H VAL A 23 -10.043 9.370 -4.886 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.785 8.246 -3.415 1.00 0.65 H new ATOM 0 HB VAL A 23 -7.819 8.596 -5.888 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -7.321 10.812 -6.801 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -8.940 10.705 -6.071 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.624 11.525 -5.198 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -5.495 9.390 -6.017 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -5.605 9.937 -4.327 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -5.751 8.206 -4.714 1.00 1.35 H new ATOM 329 N GLU A 24 -8.965 10.377 -1.935 1.00 0.66 N ATOM 330 CA GLU A 24 -8.996 11.349 -0.876 1.00 0.76 C ATOM 331 C GLU A 24 -9.447 10.643 0.403 1.00 0.69 C ATOM 332 O GLU A 24 -9.744 11.268 1.414 1.00 0.80 O ATOM 333 CB GLU A 24 -9.976 12.466 -1.260 1.00 0.99 C ATOM 334 CG GLU A 24 -11.387 11.968 -1.548 1.00 1.22 C ATOM 335 CD GLU A 24 -12.301 13.051 -2.048 1.00 1.54 C ATOM 336 OE1 GLU A 24 -12.836 13.811 -1.240 1.00 2.03 O ATOM 337 OE2 GLU A 24 -12.518 13.143 -3.260 1.00 1.89 O ATOM 0 H GLU A 24 -9.759 9.737 -1.913 1.00 0.66 H new ATOM 0 HA GLU A 24 -8.013 11.791 -0.714 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -10.016 13.197 -0.452 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.596 12.984 -2.140 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -11.340 11.169 -2.288 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -11.807 11.537 -0.639 1.00 1.22 H new ATOM 344 N ASP A 25 -9.498 9.323 0.331 1.00 0.60 N ATOM 345 CA ASP A 25 -9.947 8.496 1.456 1.00 0.64 C ATOM 346 C ASP A 25 -8.768 7.903 2.195 1.00 0.55 C ATOM 347 O ASP A 25 -8.749 7.820 3.425 1.00 0.58 O ATOM 348 CB ASP A 25 -10.826 7.346 0.949 1.00 0.72 C ATOM 349 CG ASP A 25 -11.264 6.419 2.065 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.238 6.746 2.783 1.00 1.07 O ATOM 351 OD2 ASP A 25 -10.666 5.357 2.240 1.00 0.98 O ATOM 0 H ASP A 25 -9.233 8.791 -0.498 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.515 9.136 2.131 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.706 7.756 0.454 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.277 6.775 0.200 1.00 0.72 H new ATOM 356 N VAL A 26 -7.779 7.519 1.437 1.00 0.51 N ATOM 357 CA VAL A 26 -6.645 6.811 1.964 1.00 0.47 C ATOM 358 C VAL A 26 -5.638 7.782 2.570 1.00 0.47 C ATOM 359 O VAL A 26 -4.844 8.395 1.870 1.00 0.51 O ATOM 360 CB VAL A 26 -5.970 5.950 0.862 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.908 5.036 1.456 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.007 5.134 0.110 1.00 0.70 C ATOM 0 H VAL A 26 -7.736 7.689 0.432 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.000 6.145 2.750 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.483 6.627 0.160 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.452 4.445 0.662 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.143 5.638 1.946 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.368 4.370 2.186 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.514 4.538 -0.658 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.525 4.474 0.806 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.728 5.804 -0.358 1.00 0.70 H new ATOM 372 N LYS A 27 -5.791 8.012 3.844 1.00 0.49 N ATOM 373 CA LYS A 27 -4.856 8.794 4.619 1.00 0.54 C ATOM 374 C LYS A 27 -3.998 7.834 5.441 1.00 0.47 C ATOM 375 O LYS A 27 -4.201 6.627 5.367 1.00 0.51 O ATOM 376 CB LYS A 27 -5.604 9.744 5.536 1.00 0.65 C ATOM 377 CG LYS A 27 -6.508 10.718 4.821 1.00 0.83 C ATOM 378 CD LYS A 27 -7.190 11.625 5.808 1.00 1.53 C ATOM 379 CE LYS A 27 -8.148 12.566 5.123 1.00 2.02 C ATOM 380 NZ LYS A 27 -8.813 13.451 6.092 1.00 2.83 N ATOM 0 H LYS A 27 -6.579 7.658 4.386 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.225 9.388 3.958 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.201 9.159 6.236 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.880 10.305 6.126 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -5.927 11.311 4.114 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.254 10.173 4.243 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -7.729 11.026 6.542 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -6.441 12.200 6.353 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -7.610 13.166 4.389 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -8.897 11.992 4.578 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -9.466 14.087 5.591 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -9.346 12.878 6.777 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -8.098 14.015 6.594 1.00 2.83 H new ATOM 394 N LEU A 28 -3.092 8.354 6.255 1.00 0.49 N ATOM 395 CA LEU A 28 -2.153 7.514 7.021 1.00 0.47 C ATOM 396 C LEU A 28 -2.820 6.614 8.072 1.00 0.50 C ATOM 397 O LEU A 28 -2.300 5.542 8.380 1.00 0.56 O ATOM 398 CB LEU A 28 -1.015 8.341 7.660 1.00 0.54 C ATOM 399 CG LEU A 28 0.207 8.684 6.771 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.931 7.416 6.350 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.181 9.508 5.545 1.00 0.99 C ATOM 0 H LEU A 28 -2.978 9.356 6.410 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.722 6.845 6.276 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.441 9.277 8.021 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.654 7.798 8.533 1.00 0.54 H new ATOM 0 HG LEU A 28 0.879 9.297 7.372 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.786 7.675 5.726 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.276 6.883 7.236 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.250 6.779 5.785 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.709 9.723 4.954 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.892 8.946 4.939 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.638 10.444 5.866 1.00 0.99 H new ATOM 413 N ASP A 29 -3.959 7.019 8.603 1.00 0.56 N ATOM 414 CA ASP A 29 -4.655 6.225 9.648 1.00 0.65 C ATOM 415 C ASP A 29 -5.601 5.206 9.054 1.00 0.61 C ATOM 416 O ASP A 29 -6.464 4.670 9.749 1.00 1.03 O ATOM 417 CB ASP A 29 -5.442 7.112 10.632 1.00 0.87 C ATOM 418 CG ASP A 29 -4.578 7.950 11.527 1.00 1.73 C ATOM 419 OD1 ASP A 29 -4.116 7.448 12.566 1.00 2.34 O ATOM 420 OD2 ASP A 29 -4.319 9.134 11.200 1.00 2.47 O ATOM 0 H ASP A 29 -4.434 7.883 8.343 1.00 0.56 H new ATOM 0 HA ASP A 29 -3.863 5.708 10.190 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -6.103 7.768 10.065 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -6.077 6.476 11.249 1.00 0.87 H new ATOM 425 N LYS A 30 -5.452 4.933 7.790 1.00 0.43 N ATOM 426 CA LYS A 30 -6.296 3.974 7.129 1.00 0.39 C ATOM 427 C LYS A 30 -5.541 2.657 7.002 1.00 0.38 C ATOM 428 O LYS A 30 -4.353 2.634 6.672 1.00 0.57 O ATOM 429 CB LYS A 30 -6.685 4.487 5.738 1.00 0.44 C ATOM 430 CG LYS A 30 -7.319 5.881 5.728 1.00 0.51 C ATOM 431 CD LYS A 30 -8.742 5.932 6.273 1.00 0.75 C ATOM 432 CE LYS A 30 -9.723 5.247 5.331 1.00 0.98 C ATOM 433 NZ LYS A 30 -11.120 5.501 5.716 1.00 1.06 N ATOM 0 H LYS A 30 -4.748 5.364 7.190 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.205 3.824 7.712 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.795 4.502 5.109 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -7.383 3.781 5.287 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -6.694 6.555 6.315 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.321 6.258 4.705 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -8.776 5.450 7.250 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -9.040 6.970 6.419 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.557 5.601 4.313 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.536 4.173 5.330 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.569 4.608 6.003 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.145 6.172 6.511 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.635 5.903 4.907 1.00 1.06 H new ATOM 447 N SER A 31 -6.189 1.584 7.311 1.00 0.46 N ATOM 448 CA SER A 31 -5.604 0.293 7.148 1.00 0.44 C ATOM 449 C SER A 31 -6.323 -0.384 6.000 1.00 0.45 C ATOM 450 O SER A 31 -7.522 -0.128 5.795 1.00 0.57 O ATOM 451 CB SER A 31 -5.775 -0.507 8.405 1.00 0.49 C ATOM 452 OG SER A 31 -5.821 0.338 9.548 1.00 1.31 O ATOM 0 H SER A 31 -7.139 1.576 7.684 1.00 0.46 H new ATOM 0 HA SER A 31 -4.537 0.374 6.940 1.00 0.44 H new ATOM 0 HB2 SER A 31 -6.692 -1.093 8.345 1.00 0.49 H new ATOM 0 HB3 SER A 31 -4.951 -1.214 8.505 1.00 0.49 H new ATOM 0 HG SER A 31 -6.691 0.787 9.588 1.00 1.31 H new ATOM 458 N PHE A 32 -5.638 -1.261 5.306 1.00 0.41 N ATOM 459 CA PHE A 32 -6.132 -1.868 4.077 1.00 0.46 C ATOM 460 C PHE A 32 -7.489 -2.553 4.209 1.00 0.55 C ATOM 461 O PHE A 32 -8.371 -2.292 3.424 1.00 1.03 O ATOM 462 CB PHE A 32 -5.076 -2.783 3.458 1.00 0.51 C ATOM 463 CG PHE A 32 -3.845 -2.025 3.040 1.00 0.50 C ATOM 464 CD1 PHE A 32 -3.776 -1.435 1.786 1.00 0.55 C ATOM 465 CD2 PHE A 32 -2.773 -1.877 3.903 1.00 0.52 C ATOM 466 CE1 PHE A 32 -2.660 -0.720 1.400 1.00 0.59 C ATOM 467 CE2 PHE A 32 -1.657 -1.160 3.524 1.00 0.58 C ATOM 468 CZ PHE A 32 -1.602 -0.580 2.271 1.00 0.60 C ATOM 0 H PHE A 32 -4.708 -1.582 5.576 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.316 -1.042 3.390 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.800 -3.555 4.176 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.500 -3.291 2.592 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -4.606 -1.537 1.103 1.00 0.55 H new ATOM 0 HD2 PHE A 32 -2.811 -2.328 4.884 1.00 0.52 H new ATOM 0 HE1 PHE A 32 -2.617 -0.272 0.418 1.00 0.59 H new ATOM 0 HE2 PHE A 32 -0.827 -1.052 4.206 1.00 0.58 H new ATOM 0 HZ PHE A 32 -0.729 -0.017 1.975 1.00 0.60 H new ATOM 478 N THR A 33 -7.685 -3.365 5.201 1.00 0.47 N ATOM 479 CA THR A 33 -8.968 -4.029 5.306 1.00 0.50 C ATOM 480 C THR A 33 -9.641 -3.699 6.656 1.00 0.60 C ATOM 481 O THR A 33 -10.539 -4.407 7.137 1.00 1.13 O ATOM 482 CB THR A 33 -8.838 -5.575 5.073 1.00 0.65 C ATOM 483 OG1 THR A 33 -10.121 -6.203 4.911 1.00 1.37 O ATOM 484 CG2 THR A 33 -8.106 -6.236 6.235 1.00 1.21 C ATOM 0 H THR A 33 -7.007 -3.586 5.931 1.00 0.47 H new ATOM 0 HA THR A 33 -9.614 -3.649 4.514 1.00 0.50 H new ATOM 0 HB THR A 33 -8.268 -5.707 4.154 1.00 0.65 H new ATOM 0 HG1 THR A 33 -9.997 -7.130 4.617 1.00 1.37 H new ATOM 0 HG21 THR A 33 -8.027 -7.308 6.053 1.00 1.21 H new ATOM 0 HG22 THR A 33 -7.107 -5.809 6.326 1.00 1.21 H new ATOM 0 HG23 THR A 33 -8.659 -6.065 7.158 1.00 1.21 H new ATOM 492 N ASP A 34 -9.245 -2.594 7.230 1.00 0.55 N ATOM 493 CA ASP A 34 -9.866 -2.136 8.467 1.00 0.60 C ATOM 494 C ASP A 34 -10.574 -0.836 8.203 1.00 0.58 C ATOM 495 O ASP A 34 -11.643 -0.567 8.732 1.00 0.75 O ATOM 496 CB ASP A 34 -8.846 -1.920 9.609 1.00 0.72 C ATOM 497 CG ASP A 34 -8.044 -3.153 9.995 1.00 1.46 C ATOM 498 OD1 ASP A 34 -8.484 -3.914 10.866 1.00 1.58 O ATOM 499 OD2 ASP A 34 -6.934 -3.368 9.459 1.00 2.31 O ATOM 0 H ASP A 34 -8.503 -1.992 6.873 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.559 -2.914 8.789 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.153 -1.132 9.313 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -9.379 -1.561 10.489 1.00 0.72 H new ATOM 504 N ASP A 35 -9.980 -0.027 7.355 1.00 0.48 N ATOM 505 CA ASP A 35 -10.520 1.289 7.074 1.00 0.50 C ATOM 506 C ASP A 35 -10.778 1.458 5.612 1.00 0.56 C ATOM 507 O ASP A 35 -11.636 2.237 5.215 1.00 0.86 O ATOM 508 CB ASP A 35 -9.546 2.376 7.512 1.00 0.47 C ATOM 509 CG ASP A 35 -9.187 2.308 8.972 1.00 0.99 C ATOM 510 OD1 ASP A 35 -10.018 2.698 9.824 1.00 1.67 O ATOM 511 OD2 ASP A 35 -8.074 1.833 9.286 1.00 1.47 O ATOM 0 H ASP A 35 -9.125 -0.254 6.848 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.454 1.379 7.628 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.635 2.298 6.918 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.983 3.352 7.298 1.00 0.47 H new ATOM 516 N LEU A 36 -10.028 0.751 4.808 1.00 0.44 N ATOM 517 CA LEU A 36 -10.141 0.882 3.390 1.00 0.49 C ATOM 518 C LEU A 36 -11.172 -0.037 2.822 1.00 0.53 C ATOM 519 O LEU A 36 -11.390 -1.146 3.319 1.00 0.64 O ATOM 520 CB LEU A 36 -8.798 0.685 2.707 1.00 0.51 C ATOM 521 CG LEU A 36 -7.749 1.727 3.029 1.00 0.59 C ATOM 522 CD1 LEU A 36 -6.483 1.466 2.235 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.297 3.086 2.708 1.00 0.69 C ATOM 0 H LEU A 36 -9.330 0.076 5.119 1.00 0.44 H new ATOM 0 HA LEU A 36 -10.473 1.901 3.192 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.409 -0.295 2.983 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -8.956 0.673 1.629 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.499 1.676 4.089 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -5.738 2.224 2.478 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.092 0.480 2.487 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -6.707 1.506 1.169 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -7.548 3.844 2.937 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -8.551 3.135 1.649 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.191 3.268 3.304 1.00 0.69 H new ATOM 535 N ASP A 37 -11.780 0.417 1.786 1.00 0.63 N ATOM 536 CA ASP A 37 -12.825 -0.291 1.120 1.00 0.76 C ATOM 537 C ASP A 37 -12.279 -1.042 -0.054 1.00 0.78 C ATOM 538 O ASP A 37 -12.387 -0.643 -1.221 1.00 1.33 O ATOM 539 CB ASP A 37 -14.001 0.613 0.738 1.00 1.14 C ATOM 540 CG ASP A 37 -15.091 -0.121 -0.017 1.00 1.49 C ATOM 541 OD1 ASP A 37 -15.579 -1.167 0.477 1.00 1.96 O ATOM 542 OD2 ASP A 37 -15.497 0.350 -1.096 1.00 2.15 O ATOM 0 H ASP A 37 -11.561 1.318 1.362 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.234 -1.016 1.824 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -14.424 1.051 1.642 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -13.635 1.437 0.126 1.00 1.14 H new ATOM 547 N VAL A 38 -11.564 -2.031 0.285 1.00 0.65 N ATOM 548 CA VAL A 38 -11.047 -2.985 -0.638 1.00 0.96 C ATOM 549 C VAL A 38 -11.468 -4.334 -0.087 1.00 0.89 C ATOM 550 O VAL A 38 -12.025 -4.385 1.032 1.00 1.43 O ATOM 551 CB VAL A 38 -9.466 -2.879 -0.767 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.763 -3.249 0.523 1.00 2.23 C ATOM 553 CG2 VAL A 38 -8.898 -3.688 -1.934 1.00 2.14 C ATOM 0 H VAL A 38 -11.303 -2.220 1.253 1.00 0.65 H new ATOM 0 HA VAL A 38 -11.430 -2.819 -1.645 1.00 0.96 H new ATOM 0 HB VAL A 38 -9.267 -1.829 -0.979 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.685 -3.162 0.388 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -9.084 -2.576 1.318 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -9.013 -4.275 0.792 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -7.815 -3.571 -1.964 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.146 -4.741 -1.802 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.328 -3.329 -2.869 1.00 2.14 H new ATOM 563 N ASP A 39 -11.273 -5.383 -0.825 1.00 0.82 N ATOM 564 CA ASP A 39 -11.504 -6.704 -0.301 1.00 1.15 C ATOM 565 C ASP A 39 -10.433 -7.021 0.735 1.00 1.18 C ATOM 566 O ASP A 39 -10.652 -6.800 1.928 1.00 2.04 O ATOM 567 CB ASP A 39 -11.542 -7.735 -1.433 1.00 1.60 C ATOM 568 CG ASP A 39 -11.586 -9.148 -0.942 1.00 2.37 C ATOM 569 OD1 ASP A 39 -12.642 -9.595 -0.465 1.00 2.78 O ATOM 570 OD2 ASP A 39 -10.549 -9.826 -1.030 1.00 2.96 O ATOM 0 H ASP A 39 -10.954 -5.356 -1.794 1.00 0.82 H new ATOM 0 HA ASP A 39 -12.476 -6.746 0.189 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -12.415 -7.547 -2.058 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -10.664 -7.604 -2.065 1.00 1.60 H new ATOM 575 N SER A 40 -9.292 -7.501 0.239 1.00 0.85 N ATOM 576 CA SER A 40 -8.050 -7.764 0.973 1.00 0.86 C ATOM 577 C SER A 40 -7.252 -8.788 0.206 1.00 0.74 C ATOM 578 O SER A 40 -6.092 -8.586 -0.083 1.00 0.81 O ATOM 579 CB SER A 40 -8.269 -8.259 2.375 1.00 1.19 C ATOM 580 OG SER A 40 -9.064 -9.455 2.357 1.00 1.18 O ATOM 0 H SER A 40 -9.203 -7.732 -0.751 1.00 0.85 H new ATOM 0 HA SER A 40 -7.520 -6.816 1.060 1.00 0.86 H new ATOM 0 HB2 SER A 40 -7.310 -8.458 2.853 1.00 1.19 H new ATOM 0 HB3 SER A 40 -8.767 -7.491 2.967 1.00 1.19 H new ATOM 585 N LEU A 41 -7.900 -9.859 -0.207 1.00 0.71 N ATOM 586 CA LEU A 41 -7.220 -10.864 -0.999 1.00 0.70 C ATOM 587 C LEU A 41 -6.932 -10.245 -2.365 1.00 0.65 C ATOM 588 O LEU A 41 -5.991 -10.592 -3.057 1.00 0.71 O ATOM 589 CB LEU A 41 -8.034 -12.176 -1.144 1.00 0.83 C ATOM 590 CG LEU A 41 -8.251 -13.028 0.136 1.00 1.01 C ATOM 591 CD1 LEU A 41 -9.249 -12.401 1.089 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.670 -14.437 -0.217 1.00 1.34 C ATOM 0 H LEU A 41 -8.882 -10.054 -0.011 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.298 -11.153 -0.494 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -9.013 -11.922 -1.549 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -7.535 -12.802 -1.884 1.00 0.83 H new ATOM 0 HG LEU A 41 -7.292 -13.065 0.653 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -9.363 -13.037 1.967 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -8.890 -11.419 1.397 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -10.212 -12.295 0.590 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -8.816 -15.013 0.697 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.603 -14.409 -0.781 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -7.894 -14.906 -0.822 1.00 1.34 H new ATOM 604 N SER A 42 -7.758 -9.280 -2.698 1.00 0.65 N ATOM 605 CA SER A 42 -7.619 -8.487 -3.885 1.00 0.66 C ATOM 606 C SER A 42 -6.577 -7.344 -3.670 1.00 0.50 C ATOM 607 O SER A 42 -6.073 -6.768 -4.617 1.00 0.47 O ATOM 608 CB SER A 42 -8.995 -7.919 -4.254 1.00 0.84 C ATOM 609 OG SER A 42 -8.962 -7.185 -5.456 1.00 1.26 O ATOM 0 H SER A 42 -8.566 -9.022 -2.131 1.00 0.65 H new ATOM 0 HA SER A 42 -7.250 -9.107 -4.702 1.00 0.66 H new ATOM 0 HB2 SER A 42 -9.710 -8.736 -4.349 1.00 0.84 H new ATOM 0 HB3 SER A 42 -9.349 -7.277 -3.448 1.00 0.84 H new ATOM 0 HG SER A 42 -8.205 -7.485 -6.002 1.00 1.26 H new ATOM 615 N MET A 43 -6.216 -7.067 -2.417 1.00 0.45 N ATOM 616 CA MET A 43 -5.244 -5.993 -2.096 1.00 0.35 C ATOM 617 C MET A 43 -3.865 -6.473 -2.501 1.00 0.30 C ATOM 618 O MET A 43 -2.985 -5.705 -2.822 1.00 0.27 O ATOM 619 CB MET A 43 -5.326 -5.657 -0.584 1.00 0.39 C ATOM 620 CG MET A 43 -4.533 -4.440 -0.058 1.00 0.47 C ATOM 621 SD MET A 43 -2.721 -4.572 -0.140 1.00 0.97 S ATOM 622 CE MET A 43 -2.438 -6.123 0.703 1.00 0.54 C ATOM 0 H MET A 43 -6.575 -7.564 -1.601 1.00 0.45 H new ATOM 0 HA MET A 43 -5.469 -5.077 -2.642 1.00 0.35 H new ATOM 0 HB2 MET A 43 -6.376 -5.502 -0.335 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.993 -6.535 -0.030 1.00 0.39 H new ATOM 0 HG2 MET A 43 -4.839 -3.560 -0.624 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.818 -4.267 0.980 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.366 -6.282 0.823 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.913 -6.096 1.684 1.00 0.54 H new ATOM 0 HE3 MET A 43 -2.862 -6.938 0.117 1.00 0.54 H new ATOM 632 N VAL A 44 -3.717 -7.759 -2.573 1.00 0.36 N ATOM 633 CA VAL A 44 -2.482 -8.356 -3.008 1.00 0.39 C ATOM 634 C VAL A 44 -2.170 -7.923 -4.482 1.00 0.37 C ATOM 635 O VAL A 44 -1.018 -7.863 -4.907 1.00 0.42 O ATOM 636 CB VAL A 44 -2.510 -9.896 -2.819 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.157 -10.519 -3.128 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.962 -10.236 -1.383 1.00 0.57 C ATOM 0 H VAL A 44 -4.447 -8.430 -2.333 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.665 -7.992 -2.385 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.226 -10.318 -3.524 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.212 -11.598 -2.985 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.884 -10.303 -4.161 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.404 -10.103 -2.459 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.980 -11.318 -1.254 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.265 -9.797 -0.669 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.960 -9.833 -1.211 1.00 0.57 H new ATOM 648 N GLU A 45 -3.227 -7.530 -5.206 1.00 0.37 N ATOM 649 CA GLU A 45 -3.104 -7.027 -6.564 1.00 0.38 C ATOM 650 C GLU A 45 -2.583 -5.562 -6.559 1.00 0.31 C ATOM 651 O GLU A 45 -1.884 -5.146 -7.475 1.00 0.37 O ATOM 652 CB GLU A 45 -4.458 -7.098 -7.279 1.00 0.46 C ATOM 653 CG GLU A 45 -5.085 -8.482 -7.282 1.00 0.64 C ATOM 654 CD GLU A 45 -6.432 -8.513 -7.962 1.00 1.21 C ATOM 655 OE1 GLU A 45 -6.492 -8.711 -9.186 1.00 1.31 O ATOM 656 OE2 GLU A 45 -7.468 -8.346 -7.285 1.00 2.06 O ATOM 0 H GLU A 45 -4.186 -7.555 -4.859 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.387 -7.650 -7.098 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -5.146 -6.400 -6.802 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -4.331 -6.766 -8.309 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -4.414 -9.179 -7.784 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -5.194 -8.829 -6.254 1.00 0.64 H new ATOM 663 N VAL A 46 -2.912 -4.790 -5.510 1.00 0.30 N ATOM 664 CA VAL A 46 -2.450 -3.407 -5.427 1.00 0.30 C ATOM 665 C VAL A 46 -1.023 -3.333 -4.910 1.00 0.29 C ATOM 666 O VAL A 46 -0.218 -2.567 -5.429 1.00 0.39 O ATOM 667 CB VAL A 46 -3.415 -2.441 -4.611 1.00 0.51 C ATOM 668 CG1 VAL A 46 -3.651 -2.883 -3.198 1.00 0.91 C ATOM 669 CG2 VAL A 46 -2.903 -1.017 -4.597 1.00 1.43 C ATOM 0 H VAL A 46 -3.485 -5.098 -4.725 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.471 -3.033 -6.451 1.00 0.30 H new ATOM 0 HB VAL A 46 -4.366 -2.488 -5.141 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -4.318 -2.177 -2.703 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -4.106 -3.873 -3.198 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.701 -2.920 -2.665 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -3.590 -0.389 -4.030 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -1.918 -0.989 -4.132 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -2.832 -0.646 -5.619 1.00 1.43 H new ATOM 679 N VAL A 47 -0.692 -4.162 -3.924 1.00 0.28 N ATOM 680 CA VAL A 47 0.663 -4.149 -3.361 1.00 0.33 C ATOM 681 C VAL A 47 1.738 -4.490 -4.425 1.00 0.31 C ATOM 682 O VAL A 47 2.806 -3.874 -4.458 1.00 0.35 O ATOM 683 CB VAL A 47 0.813 -5.054 -2.093 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.517 -6.511 -2.391 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.197 -4.903 -1.478 1.00 0.53 C ATOM 0 H VAL A 47 -1.326 -4.840 -3.502 1.00 0.28 H new ATOM 0 HA VAL A 47 0.833 -3.124 -3.031 1.00 0.33 H new ATOM 0 HB VAL A 47 0.071 -4.714 -1.370 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.634 -7.100 -1.481 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.505 -6.607 -2.756 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.209 -6.875 -3.150 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.276 -5.542 -0.598 1.00 0.53 H new ATOM 0 HG22 VAL A 47 2.953 -5.194 -2.207 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.355 -3.864 -1.187 1.00 0.53 H new ATOM 695 N VAL A 48 1.423 -5.411 -5.327 1.00 0.29 N ATOM 696 CA VAL A 48 2.363 -5.787 -6.377 1.00 0.31 C ATOM 697 C VAL A 48 2.519 -4.645 -7.405 1.00 0.29 C ATOM 698 O VAL A 48 3.571 -4.472 -8.017 1.00 0.35 O ATOM 699 CB VAL A 48 1.970 -7.136 -7.070 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.634 -7.046 -7.774 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.053 -7.622 -8.025 1.00 0.65 C ATOM 0 H VAL A 48 0.533 -5.908 -5.354 1.00 0.29 H new ATOM 0 HA VAL A 48 3.331 -5.953 -5.904 1.00 0.31 H new ATOM 0 HB VAL A 48 1.874 -7.874 -6.273 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.403 -8.004 -8.240 1.00 0.61 H new ATOM 0 HG12 VAL A 48 -0.142 -6.798 -7.051 1.00 0.61 H new ATOM 0 HG13 VAL A 48 0.678 -6.271 -8.540 1.00 0.61 H new ATOM 0 HG21 VAL A 48 2.740 -8.560 -8.484 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.215 -6.875 -8.802 1.00 0.65 H new ATOM 0 HG23 VAL A 48 3.980 -7.780 -7.474 1.00 0.65 H new ATOM 711 N ALA A 49 1.490 -3.826 -7.531 1.00 0.28 N ATOM 712 CA ALA A 49 1.540 -2.691 -8.433 1.00 0.28 C ATOM 713 C ALA A 49 2.243 -1.528 -7.743 1.00 0.27 C ATOM 714 O ALA A 49 2.842 -0.679 -8.378 1.00 0.32 O ATOM 715 CB ALA A 49 0.141 -2.293 -8.877 1.00 0.32 C ATOM 0 H ALA A 49 0.612 -3.926 -7.021 1.00 0.28 H new ATOM 0 HA ALA A 49 2.102 -2.967 -9.325 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.203 -1.440 -9.553 1.00 0.32 H new ATOM 0 HB2 ALA A 49 -0.329 -3.131 -9.392 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.454 -2.023 -8.005 1.00 0.32 H new ATOM 721 N ALA A 50 2.182 -1.518 -6.431 1.00 0.27 N ATOM 722 CA ALA A 50 2.834 -0.500 -5.638 1.00 0.30 C ATOM 723 C ALA A 50 4.346 -0.611 -5.754 1.00 0.29 C ATOM 724 O ALA A 50 5.048 0.406 -5.766 1.00 0.32 O ATOM 725 CB ALA A 50 2.392 -0.587 -4.187 1.00 0.36 C ATOM 0 H ALA A 50 1.679 -2.216 -5.883 1.00 0.27 H new ATOM 0 HA ALA A 50 2.539 0.476 -6.024 1.00 0.30 H new ATOM 0 HB1 ALA A 50 2.894 0.187 -3.607 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.313 -0.444 -4.126 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.652 -1.567 -3.786 1.00 0.36 H new ATOM 731 N GLU A 51 4.837 -1.846 -5.880 1.00 0.32 N ATOM 732 CA GLU A 51 6.266 -2.110 -6.009 1.00 0.39 C ATOM 733 C GLU A 51 6.896 -1.293 -7.139 1.00 0.39 C ATOM 734 O GLU A 51 7.811 -0.501 -6.893 1.00 0.47 O ATOM 735 CB GLU A 51 6.543 -3.594 -6.222 1.00 0.49 C ATOM 736 CG GLU A 51 6.118 -4.491 -5.077 1.00 0.36 C ATOM 737 CD GLU A 51 6.614 -5.901 -5.258 1.00 0.44 C ATOM 738 OE1 GLU A 51 7.796 -6.182 -4.972 1.00 0.78 O ATOM 739 OE2 GLU A 51 5.816 -6.759 -5.683 1.00 0.70 O ATOM 0 H GLU A 51 4.256 -2.685 -5.895 1.00 0.32 H new ATOM 0 HA GLU A 51 6.725 -1.803 -5.070 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.031 -3.918 -7.128 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.611 -3.729 -6.393 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.500 -4.089 -4.139 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.031 -4.495 -5.003 1.00 0.36 H new ATOM 746 N GLU A 52 6.367 -1.448 -8.353 1.00 0.36 N ATOM 747 CA GLU A 52 6.877 -0.730 -9.526 1.00 0.41 C ATOM 748 C GLU A 52 6.721 0.786 -9.366 1.00 0.38 C ATOM 749 O GLU A 52 7.604 1.555 -9.735 1.00 0.47 O ATOM 750 CB GLU A 52 6.134 -1.151 -10.811 1.00 0.49 C ATOM 751 CG GLU A 52 4.634 -0.894 -10.748 1.00 0.53 C ATOM 752 CD GLU A 52 3.966 -0.821 -12.082 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.054 0.211 -12.753 1.00 0.94 O ATOM 754 OE2 GLU A 52 3.365 -1.829 -12.493 1.00 0.96 O ATOM 0 H GLU A 52 5.581 -2.067 -8.552 1.00 0.36 H new ATOM 0 HA GLU A 52 7.933 -0.987 -9.607 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.553 -0.610 -11.659 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.307 -2.212 -10.992 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.166 -1.686 -10.163 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.460 0.041 -10.216 1.00 0.53 H new ATOM 761 N ARG A 53 5.606 1.196 -8.785 1.00 0.32 N ATOM 762 CA ARG A 53 5.253 2.591 -8.701 1.00 0.36 C ATOM 763 C ARG A 53 6.148 3.355 -7.742 1.00 0.35 C ATOM 764 O ARG A 53 6.576 4.462 -8.043 1.00 0.48 O ATOM 765 CB ARG A 53 3.780 2.765 -8.329 1.00 0.46 C ATOM 766 CG ARG A 53 2.763 2.275 -9.377 1.00 1.11 C ATOM 767 CD ARG A 53 2.777 3.094 -10.679 1.00 1.21 C ATOM 768 NE ARG A 53 3.923 2.814 -11.579 1.00 2.17 N ATOM 769 CZ ARG A 53 4.697 3.768 -12.142 1.00 2.78 C ATOM 770 NH1 ARG A 53 4.647 5.022 -11.698 1.00 2.79 N ATOM 771 NH2 ARG A 53 5.556 3.445 -13.101 1.00 3.85 N ATOM 0 H ARG A 53 4.925 0.567 -8.361 1.00 0.32 H new ATOM 0 HA ARG A 53 5.409 3.017 -9.692 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.595 2.234 -7.395 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.595 3.822 -8.137 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.971 1.231 -9.612 1.00 1.11 H new ATOM 0 HG3 ARG A 53 1.763 2.312 -8.945 1.00 1.11 H new ATOM 0 HD2 ARG A 53 1.852 2.902 -11.222 1.00 1.21 H new ATOM 0 HD3 ARG A 53 2.784 4.154 -10.425 1.00 1.21 H new ATOM 0 HE ARG A 53 4.140 1.839 -11.786 1.00 2.17 H new ATOM 0 HH11 ARG A 53 4.022 5.266 -10.929 1.00 2.79 H new ATOM 0 HH12 ARG A 53 5.233 5.738 -12.126 1.00 2.79 H new ATOM 0 HH21 ARG A 53 5.632 2.477 -13.413 1.00 3.85 H new ATOM 0 HH22 ARG A 53 6.140 4.165 -13.526 1.00 3.85 H new ATOM 785 N PHE A 54 6.465 2.759 -6.611 1.00 0.29 N ATOM 786 CA PHE A 54 7.300 3.437 -5.626 1.00 0.30 C ATOM 787 C PHE A 54 8.749 3.084 -5.789 1.00 0.33 C ATOM 788 O PHE A 54 9.595 3.524 -4.994 1.00 0.40 O ATOM 789 CB PHE A 54 6.821 3.159 -4.211 1.00 0.31 C ATOM 790 CG PHE A 54 5.411 3.565 -4.036 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.042 4.885 -4.208 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.446 2.633 -3.761 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.736 5.257 -4.093 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.138 3.001 -3.653 1.00 0.38 C ATOM 795 CZ PHE A 54 2.783 4.309 -3.820 1.00 0.37 C ATOM 0 H PHE A 54 6.165 1.820 -6.348 1.00 0.29 H new ATOM 0 HA PHE A 54 7.205 4.508 -5.805 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.927 2.097 -3.990 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.448 3.696 -3.500 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.793 5.627 -4.435 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.724 1.598 -3.629 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.453 6.292 -4.216 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.384 2.259 -3.436 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.746 4.599 -3.737 1.00 0.37 H new ATOM 805 N ASP A 55 9.028 2.280 -6.817 1.00 0.36 N ATOM 806 CA ASP A 55 10.389 1.900 -7.207 1.00 0.44 C ATOM 807 C ASP A 55 11.036 1.050 -6.098 1.00 0.46 C ATOM 808 O ASP A 55 12.242 1.060 -5.885 1.00 0.77 O ATOM 809 CB ASP A 55 11.194 3.187 -7.522 1.00 0.53 C ATOM 810 CG ASP A 55 12.526 2.941 -8.203 1.00 1.14 C ATOM 811 OD1 ASP A 55 12.556 2.344 -9.293 1.00 1.23 O ATOM 812 OD2 ASP A 55 13.575 3.313 -7.626 1.00 1.95 O ATOM 0 H ASP A 55 8.307 1.869 -7.410 1.00 0.36 H new ATOM 0 HA ASP A 55 10.376 1.283 -8.106 1.00 0.44 H new ATOM 0 HB2 ASP A 55 10.589 3.833 -8.158 1.00 0.53 H new ATOM 0 HB3 ASP A 55 11.369 3.728 -6.592 1.00 0.53 H new ATOM 817 N VAL A 56 10.201 0.261 -5.438 1.00 0.35 N ATOM 818 CA VAL A 56 10.627 -0.584 -4.336 1.00 0.40 C ATOM 819 C VAL A 56 10.478 -2.066 -4.677 1.00 0.52 C ATOM 820 O VAL A 56 10.133 -2.434 -5.812 1.00 1.14 O ATOM 821 CB VAL A 56 9.855 -0.292 -3.003 1.00 0.55 C ATOM 822 CG1 VAL A 56 10.219 1.064 -2.423 1.00 1.00 C ATOM 823 CG2 VAL A 56 8.341 -0.382 -3.219 1.00 1.37 C ATOM 0 H VAL A 56 9.207 0.190 -5.653 1.00 0.35 H new ATOM 0 HA VAL A 56 11.679 -0.344 -4.179 1.00 0.40 H new ATOM 0 HB VAL A 56 10.157 -1.055 -2.285 1.00 0.55 H new ATOM 0 HG11 VAL A 56 9.662 1.226 -1.500 1.00 1.00 H new ATOM 0 HG12 VAL A 56 11.288 1.094 -2.212 1.00 1.00 H new ATOM 0 HG13 VAL A 56 9.969 1.846 -3.140 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.827 -0.176 -2.280 1.00 1.37 H new ATOM 0 HG22 VAL A 56 8.036 0.349 -3.968 1.00 1.37 H new ATOM 0 HG23 VAL A 56 8.081 -1.383 -3.562 1.00 1.37 H new ATOM 833 N LYS A 57 10.701 -2.897 -3.683 1.00 0.41 N ATOM 834 CA LYS A 57 10.544 -4.330 -3.773 1.00 0.40 C ATOM 835 C LYS A 57 9.887 -4.739 -2.483 1.00 0.45 C ATOM 836 O LYS A 57 10.340 -4.308 -1.416 1.00 0.67 O ATOM 837 CB LYS A 57 11.911 -5.032 -3.852 1.00 0.57 C ATOM 838 CG LYS A 57 12.864 -4.509 -4.928 1.00 1.30 C ATOM 839 CD LYS A 57 14.179 -5.287 -4.922 1.00 1.77 C ATOM 840 CE LYS A 57 14.859 -5.264 -3.549 1.00 2.45 C ATOM 841 NZ LYS A 57 15.279 -3.906 -3.122 1.00 3.34 N ATOM 0 H LYS A 57 11.006 -2.583 -2.762 1.00 0.41 H new ATOM 0 HA LYS A 57 9.971 -4.600 -4.660 1.00 0.40 H new ATOM 0 HB2 LYS A 57 12.402 -4.942 -2.883 1.00 0.57 H new ATOM 0 HB3 LYS A 57 11.743 -6.095 -4.027 1.00 0.57 H new ATOM 0 HG2 LYS A 57 12.393 -4.592 -5.907 1.00 1.30 H new ATOM 0 HG3 LYS A 57 13.063 -3.451 -4.759 1.00 1.30 H new ATOM 0 HD2 LYS A 57 13.989 -6.320 -5.214 1.00 1.77 H new ATOM 0 HD3 LYS A 57 14.853 -4.864 -5.667 1.00 1.77 H new ATOM 0 HE2 LYS A 57 14.175 -5.675 -2.806 1.00 2.45 H new ATOM 0 HE3 LYS A 57 15.732 -5.916 -3.573 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 15.731 -3.960 -2.187 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 15.955 -3.519 -3.811 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 14.446 -3.286 -3.068 1.00 3.34 H new ATOM 855 N ILE A 58 8.824 -5.491 -2.545 1.00 0.36 N ATOM 856 CA ILE A 58 8.130 -5.905 -1.337 1.00 0.42 C ATOM 857 C ILE A 58 7.872 -7.421 -1.386 1.00 0.46 C ATOM 858 O ILE A 58 7.062 -7.890 -2.193 1.00 0.52 O ATOM 859 CB ILE A 58 6.767 -5.152 -1.160 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.944 -3.636 -1.382 1.00 0.48 C ATOM 861 CG2 ILE A 58 6.228 -5.397 0.250 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.655 -2.841 -1.335 1.00 0.57 C ATOM 0 H ILE A 58 8.412 -5.834 -3.413 1.00 0.36 H new ATOM 0 HA ILE A 58 8.765 -5.656 -0.487 1.00 0.42 H new ATOM 0 HB ILE A 58 6.064 -5.533 -1.900 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.624 -3.247 -0.624 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.420 -3.476 -2.349 1.00 0.48 H new ATOM 0 HG21 ILE A 58 5.280 -4.873 0.373 1.00 0.55 H new ATOM 0 HG22 ILE A 58 6.074 -6.466 0.400 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.945 -5.027 0.983 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.872 -1.786 -1.501 1.00 0.57 H new ATOM 0 HD12 ILE A 58 4.979 -3.198 -2.111 1.00 0.57 H new ATOM 0 HD13 ILE A 58 5.186 -2.966 -0.359 1.00 0.57 H new ATOM 874 N PRO A 59 8.574 -8.202 -0.545 1.00 0.47 N ATOM 875 CA PRO A 59 8.439 -9.666 -0.499 1.00 0.53 C ATOM 876 C PRO A 59 7.057 -10.076 -0.018 1.00 0.53 C ATOM 877 O PRO A 59 6.525 -9.463 0.898 1.00 0.46 O ATOM 878 CB PRO A 59 9.494 -10.102 0.527 1.00 0.59 C ATOM 879 CG PRO A 59 10.387 -8.927 0.694 1.00 0.63 C ATOM 880 CD PRO A 59 9.543 -7.725 0.443 1.00 0.50 C ATOM 0 HA PRO A 59 8.573 -10.120 -1.481 1.00 0.53 H new ATOM 0 HB2 PRO A 59 9.031 -10.382 1.473 1.00 0.59 H new ATOM 0 HB3 PRO A 59 10.049 -10.971 0.175 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.813 -8.901 1.697 1.00 0.63 H new ATOM 0 HG3 PRO A 59 11.222 -8.970 -0.006 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.054 -7.379 1.353 1.00 0.50 H new ATOM 0 HD3 PRO A 59 10.132 -6.891 0.061 1.00 0.50 H new ATOM 888 N ASP A 60 6.506 -11.134 -0.620 1.00 0.68 N ATOM 889 CA ASP A 60 5.137 -11.644 -0.332 1.00 0.77 C ATOM 890 C ASP A 60 4.880 -11.798 1.152 1.00 0.70 C ATOM 891 O ASP A 60 3.849 -11.352 1.670 1.00 0.69 O ATOM 892 CB ASP A 60 4.906 -13.013 -0.993 1.00 1.08 C ATOM 893 CG ASP A 60 4.985 -12.983 -2.490 1.00 1.50 C ATOM 894 OD1 ASP A 60 6.107 -12.920 -3.035 1.00 2.30 O ATOM 895 OD2 ASP A 60 3.942 -13.023 -3.154 1.00 1.84 O ATOM 0 H ASP A 60 6.994 -11.676 -1.333 1.00 0.68 H new ATOM 0 HA ASP A 60 4.452 -10.901 -0.740 1.00 0.77 H new ATOM 0 HB2 ASP A 60 5.645 -13.719 -0.614 1.00 1.08 H new ATOM 0 HB3 ASP A 60 3.926 -13.388 -0.698 1.00 1.08 H new ATOM 900 N ASP A 61 5.828 -12.395 1.836 1.00 0.75 N ATOM 901 CA ASP A 61 5.696 -12.660 3.260 1.00 0.85 C ATOM 902 C ASP A 61 5.738 -11.395 4.054 1.00 0.71 C ATOM 903 O ASP A 61 5.020 -11.248 5.044 1.00 0.79 O ATOM 904 CB ASP A 61 6.788 -13.601 3.772 1.00 1.13 C ATOM 905 CG ASP A 61 6.697 -14.975 3.192 1.00 1.80 C ATOM 906 OD1 ASP A 61 5.860 -15.770 3.661 1.00 2.31 O ATOM 907 OD2 ASP A 61 7.460 -15.290 2.255 1.00 2.38 O ATOM 0 H ASP A 61 6.709 -12.711 1.430 1.00 0.75 H new ATOM 0 HA ASP A 61 4.727 -13.141 3.391 1.00 0.85 H new ATOM 0 HB2 ASP A 61 7.764 -13.177 3.536 1.00 1.13 H new ATOM 0 HB3 ASP A 61 6.723 -13.667 4.858 1.00 1.13 H new ATOM 912 N ASP A 62 6.531 -10.461 3.604 1.00 0.60 N ATOM 913 CA ASP A 62 6.722 -9.237 4.341 1.00 0.62 C ATOM 914 C ASP A 62 5.561 -8.289 4.087 1.00 0.51 C ATOM 915 O ASP A 62 5.238 -7.455 4.930 1.00 0.61 O ATOM 916 CB ASP A 62 8.064 -8.600 4.010 1.00 0.74 C ATOM 917 CG ASP A 62 8.554 -7.733 5.134 1.00 0.82 C ATOM 918 OD1 ASP A 62 8.572 -8.178 6.280 1.00 1.17 O ATOM 919 OD2 ASP A 62 8.867 -6.538 4.886 1.00 1.52 O ATOM 0 H ASP A 62 7.056 -10.522 2.732 1.00 0.60 H new ATOM 0 HA ASP A 62 6.739 -9.467 5.406 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.797 -9.380 3.804 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.971 -8.003 3.103 1.00 0.74 H new ATOM 924 N VAL A 63 4.920 -8.450 2.913 1.00 0.43 N ATOM 925 CA VAL A 63 3.677 -7.743 2.579 1.00 0.46 C ATOM 926 C VAL A 63 2.671 -8.043 3.665 1.00 0.46 C ATOM 927 O VAL A 63 2.273 -7.174 4.412 1.00 0.55 O ATOM 928 CB VAL A 63 3.053 -8.253 1.228 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.695 -7.602 0.973 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.962 -7.992 0.051 1.00 0.73 C ATOM 0 H VAL A 63 5.251 -9.072 2.175 1.00 0.43 H new ATOM 0 HA VAL A 63 3.906 -6.681 2.486 1.00 0.46 H new ATOM 0 HB VAL A 63 2.925 -9.331 1.330 1.00 0.53 H new ATOM 0 HG11 VAL A 63 1.285 -7.971 0.033 1.00 0.79 H new ATOM 0 HG12 VAL A 63 1.014 -7.849 1.788 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.815 -6.520 0.916 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.492 -8.360 -0.861 1.00 0.73 H new ATOM 0 HG22 VAL A 63 4.141 -6.921 -0.040 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.911 -8.507 0.203 1.00 0.73 H new ATOM 940 N LYS A 64 2.338 -9.318 3.778 1.00 0.46 N ATOM 941 CA LYS A 64 1.301 -9.821 4.682 1.00 0.55 C ATOM 942 C LYS A 64 1.639 -9.635 6.164 1.00 0.54 C ATOM 943 O LYS A 64 0.831 -9.960 7.024 1.00 0.63 O ATOM 944 CB LYS A 64 1.025 -11.290 4.383 1.00 0.68 C ATOM 945 CG LYS A 64 0.510 -11.528 2.976 1.00 0.77 C ATOM 946 CD LYS A 64 0.354 -13.003 2.679 1.00 0.99 C ATOM 947 CE LYS A 64 -0.171 -13.217 1.274 1.00 1.17 C ATOM 948 NZ LYS A 64 -0.256 -14.643 0.927 1.00 1.24 N ATOM 0 H LYS A 64 2.788 -10.054 3.234 1.00 0.46 H new ATOM 0 HA LYS A 64 0.407 -9.225 4.497 1.00 0.55 H new ATOM 0 HB2 LYS A 64 1.941 -11.862 4.529 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.295 -11.669 5.099 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.450 -11.028 2.851 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.197 -11.083 2.257 1.00 0.77 H new ATOM 0 HD2 LYS A 64 1.315 -13.505 2.793 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.329 -13.453 3.400 1.00 0.99 H new ATOM 0 HE2 LYS A 64 -1.158 -12.763 1.183 1.00 1.17 H new ATOM 0 HE3 LYS A 64 0.481 -12.709 0.563 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 -0.620 -14.743 -0.042 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 0.689 -15.072 0.988 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 -0.898 -15.124 1.589 1.00 1.24 H new ATOM 962 N ASN A 65 2.807 -9.116 6.451 1.00 0.50 N ATOM 963 CA ASN A 65 3.214 -8.877 7.820 1.00 0.56 C ATOM 964 C ASN A 65 2.720 -7.499 8.270 1.00 0.52 C ATOM 965 O ASN A 65 2.588 -7.230 9.468 1.00 0.65 O ATOM 966 CB ASN A 65 4.745 -8.972 7.949 1.00 0.64 C ATOM 967 CG ASN A 65 5.233 -8.950 9.392 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.324 -9.996 10.034 1.00 1.95 O ATOM 969 ND2 ASN A 65 5.580 -7.783 9.909 1.00 2.07 N ATOM 0 H ASN A 65 3.500 -8.848 5.752 1.00 0.50 H new ATOM 0 HA ASN A 65 2.772 -9.638 8.462 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.086 -9.891 7.472 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.200 -8.143 7.407 1.00 0.64 H new ATOM 0 HD21 ASN A 65 5.934 -7.733 10.864 1.00 2.07 H new ATOM 0 HD22 ASN A 65 5.493 -6.933 9.352 1.00 2.07 H new ATOM 976 N LEU A 66 2.403 -6.654 7.299 1.00 0.43 N ATOM 977 CA LEU A 66 1.955 -5.287 7.551 1.00 0.43 C ATOM 978 C LEU A 66 0.454 -5.260 7.863 1.00 0.43 C ATOM 979 O LEU A 66 -0.194 -6.314 7.878 1.00 0.47 O ATOM 980 CB LEU A 66 2.255 -4.417 6.333 1.00 0.44 C ATOM 981 CG LEU A 66 3.721 -4.355 5.897 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.850 -3.553 4.627 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.584 -3.758 6.990 1.00 0.60 C ATOM 0 H LEU A 66 2.449 -6.896 6.309 1.00 0.43 H new ATOM 0 HA LEU A 66 2.491 -4.894 8.415 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.663 -4.784 5.495 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.916 -3.403 6.543 1.00 0.44 H new ATOM 0 HG LEU A 66 4.068 -5.371 5.709 1.00 0.50 H new ATOM 0 HD11 LEU A 66 4.897 -3.515 4.325 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.262 -4.023 3.839 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.485 -2.540 4.797 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.621 -3.724 6.657 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.241 -2.748 7.213 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.511 -4.372 7.888 1.00 0.60 H new ATOM 995 N LYS A 67 -0.097 -4.071 8.125 1.00 0.45 N ATOM 996 CA LYS A 67 -1.525 -3.955 8.437 1.00 0.50 C ATOM 997 C LYS A 67 -2.153 -2.610 7.975 1.00 0.43 C ATOM 998 O LYS A 67 -3.159 -2.604 7.258 1.00 0.52 O ATOM 999 CB LYS A 67 -1.781 -4.233 9.938 1.00 0.64 C ATOM 1000 CG LYS A 67 -1.061 -3.292 10.894 1.00 0.85 C ATOM 1001 CD LYS A 67 -1.128 -3.775 12.350 1.00 0.88 C ATOM 1002 CE LYS A 67 -2.558 -3.892 12.904 1.00 1.86 C ATOM 1003 NZ LYS A 67 -3.280 -2.607 12.886 1.00 2.69 N ATOM 0 H LYS A 67 0.414 -3.188 8.128 1.00 0.45 H new ATOM 0 HA LYS A 67 -2.037 -4.722 7.856 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -2.853 -4.170 10.127 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.478 -5.256 10.160 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -0.018 -3.200 10.592 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -1.503 -2.298 10.823 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -0.640 -4.747 12.423 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -0.561 -3.087 12.977 1.00 0.88 H new ATOM 0 HE2 LYS A 67 -3.112 -4.624 12.317 1.00 1.86 H new ATOM 0 HE3 LYS A 67 -2.518 -4.268 13.926 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 -4.219 -2.730 13.316 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 -2.742 -1.899 13.426 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -3.389 -2.284 11.904 1.00 2.69 H new ATOM 1017 N THR A 68 -1.577 -1.485 8.368 1.00 0.37 N ATOM 1018 CA THR A 68 -2.138 -0.197 7.998 1.00 0.35 C ATOM 1019 C THR A 68 -1.338 0.385 6.849 1.00 0.32 C ATOM 1020 O THR A 68 -0.306 -0.183 6.472 1.00 0.33 O ATOM 1021 CB THR A 68 -2.094 0.806 9.184 1.00 0.38 C ATOM 1022 OG1 THR A 68 -0.738 1.039 9.542 1.00 0.36 O ATOM 1023 CG2 THR A 68 -2.808 0.262 10.398 1.00 0.46 C ATOM 0 H THR A 68 -0.731 -1.437 8.936 1.00 0.37 H new ATOM 0 HA THR A 68 -3.178 -0.355 7.711 1.00 0.35 H new ATOM 0 HB THR A 68 -2.587 1.724 8.865 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.574 2.004 9.593 1.00 0.36 H new ATOM 0 HG21 THR A 68 -2.757 0.990 11.207 1.00 0.46 H new ATOM 0 HG22 THR A 68 -3.852 0.068 10.150 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.332 -0.666 10.715 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.754 1.529 6.312 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.941 2.171 5.301 1.00 0.33 C ATOM 1033 C VAL A 69 0.223 2.873 5.977 1.00 0.34 C ATOM 1034 O VAL A 69 1.263 3.068 5.381 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.707 3.164 4.381 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.857 2.484 3.665 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.193 4.366 5.149 1.00 0.56 C ATOM 0 H VAL A 69 -2.620 2.012 6.553 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.595 1.380 4.636 1.00 0.33 H new ATOM 0 HB VAL A 69 -1.001 3.511 3.627 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.370 3.208 3.031 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.472 1.671 3.050 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.557 2.084 4.399 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.724 5.038 4.475 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.866 4.043 5.943 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.341 4.888 5.585 1.00 0.56 H new ATOM 1047 N GLY A 70 0.048 3.182 7.262 1.00 0.36 N ATOM 1048 CA GLY A 70 1.101 3.796 8.037 1.00 0.38 C ATOM 1049 C GLY A 70 2.202 2.800 8.288 1.00 0.39 C ATOM 1050 O GLY A 70 3.389 3.099 8.107 1.00 0.46 O ATOM 0 H GLY A 70 -0.815 3.013 7.778 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.497 4.662 7.507 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.703 4.157 8.985 1.00 0.38 H new ATOM 1054 N ASP A 71 1.798 1.590 8.627 1.00 0.42 N ATOM 1055 CA ASP A 71 2.719 0.483 8.890 1.00 0.50 C ATOM 1056 C ASP A 71 3.429 0.093 7.598 1.00 0.49 C ATOM 1057 O ASP A 71 4.593 -0.312 7.596 1.00 0.58 O ATOM 1058 CB ASP A 71 1.929 -0.708 9.471 1.00 0.62 C ATOM 1059 CG ASP A 71 2.780 -1.885 9.888 1.00 0.82 C ATOM 1060 OD1 ASP A 71 3.758 -1.684 10.617 1.00 1.00 O ATOM 1061 OD2 ASP A 71 2.540 -3.011 9.410 1.00 1.62 O ATOM 0 H ASP A 71 0.815 1.338 8.730 1.00 0.42 H new ATOM 0 HA ASP A 71 3.473 0.786 9.616 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.361 -0.363 10.335 1.00 0.62 H new ATOM 0 HB3 ASP A 71 1.206 -1.045 8.728 1.00 0.62 H new ATOM 1066 N ALA A 72 2.736 0.303 6.492 1.00 0.43 N ATOM 1067 CA ALA A 72 3.262 0.011 5.183 1.00 0.48 C ATOM 1068 C ALA A 72 4.239 1.085 4.755 1.00 0.44 C ATOM 1069 O ALA A 72 5.317 0.779 4.235 1.00 0.47 O ATOM 1070 CB ALA A 72 2.139 -0.131 4.170 1.00 0.51 C ATOM 0 H ALA A 72 1.789 0.683 6.484 1.00 0.43 H new ATOM 0 HA ALA A 72 3.794 -0.939 5.231 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.560 -0.351 3.189 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.477 -0.943 4.472 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.573 0.799 4.121 1.00 0.51 H new ATOM 1076 N THR A 73 3.879 2.349 4.997 1.00 0.40 N ATOM 1077 CA THR A 73 4.738 3.451 4.646 1.00 0.39 C ATOM 1078 C THR A 73 6.070 3.399 5.351 1.00 0.39 C ATOM 1079 O THR A 73 7.054 3.866 4.814 1.00 0.41 O ATOM 1080 CB THR A 73 4.097 4.841 4.837 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.562 5.010 6.158 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.037 5.111 3.798 1.00 0.46 C ATOM 0 H THR A 73 2.998 2.620 5.434 1.00 0.40 H new ATOM 0 HA THR A 73 4.903 3.321 3.576 1.00 0.39 H new ATOM 0 HB THR A 73 4.895 5.572 4.706 1.00 0.37 H new ATOM 0 HG1 THR A 73 3.652 4.171 6.657 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.608 6.099 3.964 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.483 5.072 2.804 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.253 4.358 3.874 1.00 0.46 H new ATOM 1090 N LYS A 74 6.094 2.791 6.534 1.00 0.47 N ATOM 1091 CA LYS A 74 7.319 2.631 7.290 1.00 0.53 C ATOM 1092 C LYS A 74 8.298 1.780 6.496 1.00 0.48 C ATOM 1093 O LYS A 74 9.421 2.188 6.270 1.00 0.55 O ATOM 1094 CB LYS A 74 7.035 1.984 8.648 1.00 0.65 C ATOM 1095 CG LYS A 74 8.277 1.797 9.517 1.00 1.26 C ATOM 1096 CD LYS A 74 7.940 1.181 10.870 1.00 1.88 C ATOM 1097 CE LYS A 74 6.993 2.060 11.679 1.00 2.66 C ATOM 1098 NZ LYS A 74 7.541 3.420 11.889 1.00 3.54 N ATOM 0 H LYS A 74 5.268 2.400 6.987 1.00 0.47 H new ATOM 0 HA LYS A 74 7.756 3.614 7.467 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.315 2.598 9.188 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.568 1.013 8.486 1.00 0.65 H new ATOM 0 HG2 LYS A 74 8.991 1.159 8.996 1.00 1.26 H new ATOM 0 HG3 LYS A 74 8.762 2.761 9.668 1.00 1.26 H new ATOM 0 HD2 LYS A 74 7.486 0.202 10.719 1.00 1.88 H new ATOM 0 HD3 LYS A 74 8.859 1.022 11.435 1.00 1.88 H new ATOM 0 HE2 LYS A 74 6.035 2.131 11.164 1.00 2.66 H new ATOM 0 HE3 LYS A 74 6.802 1.593 12.645 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 6.953 3.929 12.580 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 8.514 3.350 12.248 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 7.541 3.937 10.987 1.00 3.54 H new ATOM 1112 N TYR A 75 7.823 0.627 6.014 1.00 0.45 N ATOM 1113 CA TYR A 75 8.642 -0.302 5.228 1.00 0.44 C ATOM 1114 C TYR A 75 9.258 0.395 4.032 1.00 0.40 C ATOM 1115 O TYR A 75 10.451 0.214 3.720 1.00 0.48 O ATOM 1116 CB TYR A 75 7.796 -1.487 4.725 1.00 0.49 C ATOM 1117 CG TYR A 75 8.547 -2.406 3.769 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.455 -3.333 4.245 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.353 -2.328 2.384 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.151 -4.152 3.385 1.00 0.77 C ATOM 1121 CE2 TYR A 75 9.048 -3.152 1.527 1.00 0.61 C ATOM 1122 CZ TYR A 75 9.945 -4.059 2.034 1.00 0.69 C ATOM 1123 OH TYR A 75 10.640 -4.886 1.182 1.00 0.83 O ATOM 0 H TYR A 75 6.863 0.312 6.157 1.00 0.45 H new ATOM 0 HA TYR A 75 9.433 -0.668 5.883 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.453 -2.068 5.581 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.907 -1.102 4.224 1.00 0.49 H new ATOM 0 HD1 TYR A 75 9.621 -3.416 5.309 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.650 -1.613 1.983 1.00 0.52 H new ATOM 0 HE1 TYR A 75 10.859 -4.868 3.775 1.00 0.77 H new ATOM 0 HE2 TYR A 75 8.888 -3.085 0.461 1.00 0.61 H new ATOM 0 HH TYR A 75 10.704 -4.466 0.299 1.00 0.83 H new ATOM 1133 N ILE A 76 8.446 1.173 3.375 1.00 0.37 N ATOM 1134 CA ILE A 76 8.841 1.863 2.186 1.00 0.43 C ATOM 1135 C ILE A 76 9.798 2.990 2.543 1.00 0.52 C ATOM 1136 O ILE A 76 10.968 2.883 2.261 1.00 0.65 O ATOM 1137 CB ILE A 76 7.591 2.433 1.495 1.00 0.45 C ATOM 1138 CG1 ILE A 76 6.590 1.304 1.252 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.970 3.094 0.171 1.00 0.59 C ATOM 1140 CD1 ILE A 76 5.245 1.783 0.803 1.00 0.55 C ATOM 0 H ILE A 76 7.481 1.346 3.655 1.00 0.37 H new ATOM 0 HA ILE A 76 9.345 1.173 1.510 1.00 0.43 H new ATOM 0 HB ILE A 76 7.138 3.188 2.138 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.995 0.626 0.500 1.00 0.48 H new ATOM 0 HG13 ILE A 76 6.474 0.729 2.170 1.00 0.48 H new ATOM 0 HG21 ILE A 76 7.075 3.493 -0.306 1.00 0.59 H new ATOM 0 HG22 ILE A 76 8.673 3.905 0.358 1.00 0.59 H new ATOM 0 HG23 ILE A 76 8.433 2.356 -0.485 1.00 0.59 H new ATOM 0 HD11 ILE A 76 4.587 0.928 0.650 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.819 2.437 1.564 1.00 0.55 H new ATOM 0 HD13 ILE A 76 5.348 2.333 -0.132 1.00 0.55 H new ATOM 1152 N LEU A 77 9.293 3.995 3.253 1.00 0.52 N ATOM 1153 CA LEU A 77 10.026 5.216 3.625 1.00 0.71 C ATOM 1154 C LEU A 77 11.354 4.939 4.329 1.00 0.78 C ATOM 1155 O LEU A 77 12.322 5.678 4.150 1.00 0.96 O ATOM 1156 CB LEU A 77 9.154 6.080 4.513 1.00 0.86 C ATOM 1157 CG LEU A 77 9.723 7.418 4.979 1.00 0.88 C ATOM 1158 CD1 LEU A 77 9.895 8.379 3.809 1.00 1.74 C ATOM 1159 CD2 LEU A 77 8.834 8.014 6.047 1.00 0.99 C ATOM 0 H LEU A 77 8.334 3.988 3.599 1.00 0.52 H new ATOM 0 HA LEU A 77 10.266 5.732 2.695 1.00 0.71 H new ATOM 0 HB2 LEU A 77 8.224 6.278 3.980 1.00 0.86 H new ATOM 0 HB3 LEU A 77 8.896 5.498 5.398 1.00 0.86 H new ATOM 0 HG LEU A 77 10.711 7.245 5.406 1.00 0.88 H new ATOM 0 HD11 LEU A 77 10.302 9.323 4.171 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.579 7.945 3.079 1.00 1.74 H new ATOM 0 HD13 LEU A 77 8.928 8.557 3.339 1.00 1.74 H new ATOM 0 HD21 LEU A 77 9.247 8.968 6.374 1.00 0.99 H new ATOM 0 HD22 LEU A 77 7.834 8.171 5.642 1.00 0.99 H new ATOM 0 HD23 LEU A 77 8.779 7.333 6.896 1.00 0.99 H new ATOM 1171 N ASP A 78 11.401 3.883 5.111 1.00 0.71 N ATOM 1172 CA ASP A 78 12.626 3.538 5.844 1.00 0.84 C ATOM 1173 C ASP A 78 13.745 3.115 4.905 1.00 0.94 C ATOM 1174 O ASP A 78 14.910 3.422 5.134 1.00 1.09 O ATOM 1175 CB ASP A 78 12.366 2.436 6.874 1.00 0.91 C ATOM 1176 CG ASP A 78 13.612 1.995 7.610 1.00 1.15 C ATOM 1177 OD1 ASP A 78 13.968 2.614 8.636 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.239 0.998 7.197 1.00 1.26 O ATOM 0 H ASP A 78 10.619 3.246 5.263 1.00 0.71 H new ATOM 0 HA ASP A 78 12.943 4.440 6.368 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.632 2.791 7.598 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.926 1.575 6.371 1.00 0.91 H new ATOM 1183 N HIS A 79 13.389 2.427 3.846 1.00 0.95 N ATOM 1184 CA HIS A 79 14.387 1.910 2.916 1.00 1.20 C ATOM 1185 C HIS A 79 14.445 2.758 1.648 1.00 1.33 C ATOM 1186 O HIS A 79 15.467 3.385 1.342 1.00 1.91 O ATOM 1187 CB HIS A 79 14.085 0.442 2.558 1.00 1.28 C ATOM 1188 CG HIS A 79 14.036 -0.490 3.743 1.00 1.67 C ATOM 1189 ND1 HIS A 79 12.858 -0.977 4.263 1.00 2.09 N ATOM 1190 CD2 HIS A 79 15.021 -1.038 4.489 1.00 2.48 C ATOM 1191 CE1 HIS A 79 13.124 -1.780 5.270 1.00 2.64 C ATOM 1192 NE2 HIS A 79 14.420 -1.834 5.428 1.00 2.89 N ATOM 0 H HIS A 79 12.423 2.209 3.600 1.00 0.95 H new ATOM 0 HA HIS A 79 15.359 1.959 3.407 1.00 1.20 H new ATOM 0 HB2 HIS A 79 13.129 0.397 2.036 1.00 1.28 H new ATOM 0 HB3 HIS A 79 14.845 0.086 1.862 1.00 1.28 H new ATOM 0 HD1 HIS A 79 11.924 -0.750 3.921 1.00 2.09 H new ATOM 0 HD2 HIS A 79 16.082 -0.878 4.368 1.00 2.48 H new ATOM 0 HE1 HIS A 79 12.394 -2.307 5.866 1.00 2.64 H new ATOM 1201 N GLN A 80 13.302 2.798 0.958 1.00 0.98 N ATOM 1202 CA GLN A 80 13.092 3.477 -0.331 1.00 1.13 C ATOM 1203 C GLN A 80 14.156 3.111 -1.355 1.00 1.30 C ATOM 1204 O GLN A 80 14.822 2.071 -1.248 1.00 1.51 O ATOM 1205 CB GLN A 80 13.001 5.004 -0.166 1.00 1.35 C ATOM 1206 CG GLN A 80 11.989 5.426 0.853 1.00 1.44 C ATOM 1207 CD GLN A 80 11.555 6.851 0.727 1.00 1.52 C ATOM 1208 OE1 GLN A 80 12.162 7.762 1.281 1.00 2.23 O ATOM 1209 NE2 GLN A 80 10.469 7.050 0.036 1.00 1.50 N ATOM 0 H GLN A 80 12.457 2.338 1.295 1.00 0.98 H new ATOM 0 HA GLN A 80 12.134 3.121 -0.710 1.00 1.13 H new ATOM 0 HB2 GLN A 80 13.979 5.391 0.120 1.00 1.35 H new ATOM 0 HB3 GLN A 80 12.749 5.453 -1.127 1.00 1.35 H new ATOM 0 HG2 GLN A 80 11.114 4.782 0.769 1.00 1.44 H new ATOM 0 HG3 GLN A 80 12.405 5.270 1.849 1.00 1.44 H new ATOM 0 HE21 GLN A 80 9.996 6.263 -0.408 1.00 1.50 H new ATOM 0 HE22 GLN A 80 10.092 7.993 -0.061 1.00 1.50 H new ATOM 1218 N ALA A 81 14.262 3.916 -2.358 1.00 1.65 N ATOM 1219 CA ALA A 81 15.263 3.773 -3.344 1.00 2.08 C ATOM 1220 C ALA A 81 16.317 4.800 -3.048 1.00 2.73 C ATOM 1221 O ALA A 81 17.389 4.433 -2.530 1.00 3.38 O ATOM 1222 CB ALA A 81 14.682 3.969 -4.721 1.00 2.49 C ATOM 1223 OXT ALA A 81 16.049 5.995 -3.220 1.00 3.20 O ATOM 0 H ALA A 81 13.638 4.708 -2.513 1.00 1.65 H new ATOM 0 HA ALA A 81 15.692 2.771 -3.324 1.00 2.08 H new ATOM 0 HB1 ALA A 81 15.468 3.855 -5.467 1.00 2.49 H new ATOM 0 HB2 ALA A 81 13.904 3.226 -4.897 1.00 2.49 H new ATOM 0 HB3 ALA A 81 14.253 4.968 -4.796 1.00 2.49 H new TER 1229 ALA A 81 HETATM 1230 P24 SXO A 101 -9.777 -9.861 3.664 1.00 1.38 P HETATM 1231 O26 SXO A 101 -9.691 -8.751 4.645 1.00 1.59 O HETATM 1232 O23 SXO A 101 -11.135 -10.376 3.296 1.00 1.70 O HETATM 1233 O27 SXO A 101 -8.925 -11.085 4.224 1.00 1.28 O HETATM 1234 C28 SXO A 101 -7.473 -10.886 4.563 1.00 1.09 C HETATM 1235 C29 SXO A 101 -6.867 -12.181 5.155 1.00 1.13 C HETATM 1236 C30 SXO A 101 -7.774 -12.589 6.242 1.00 1.57 C HETATM 1237 C31 SXO A 101 -6.821 -13.258 4.083 1.00 1.26 C HETATM 1238 C32 SXO A 101 -5.415 -11.980 5.801 1.00 1.44 C HETATM 1239 O33 SXO A 101 -5.048 -13.092 6.616 1.00 1.99 O HETATM 1240 C34 SXO A 101 -4.270 -11.706 4.838 1.00 1.35 C HETATM 1241 O35 SXO A 101 -3.191 -12.269 5.003 1.00 1.90 O HETATM 1242 N36 SXO A 101 -4.472 -10.853 3.916 1.00 1.15 N HETATM 1243 C37 SXO A 101 -3.484 -10.425 2.933 1.00 1.21 C HETATM 1244 C38 SXO A 101 -4.016 -9.302 2.036 1.00 1.09 C HETATM 1245 C39 SXO A 101 -4.596 -8.068 2.755 1.00 0.89 C HETATM 1246 O40 SXO A 101 -5.079 -7.124 2.143 1.00 1.31 O HETATM 1247 N41 SXO A 101 -4.551 -8.116 4.026 1.00 0.78 N HETATM 1248 C42 SXO A 101 -5.042 -7.094 4.891 1.00 0.93 C HETATM 1249 C43 SXO A 101 -4.216 -6.920 6.143 1.00 1.09 C HETATM 1250 S1 SXO A 101 -2.898 -5.819 5.894 1.00 1.27 S HETATM 1251 C1 SXO A 101 -1.765 -6.856 5.072 1.00 0.99 C HETATM 1252 O1 SXO A 101 -1.909 -8.088 4.906 1.00 1.87 O HETATM 1253 C2 SXO A 101 -0.522 -6.156 4.591 1.00 0.95 C HETATM 1254 C3 SXO A 101 -0.770 -5.112 3.530 1.00 0.75 C HETATM 1255 C4 SXO A 101 0.539 -4.496 3.065 1.00 0.78 C HETATM 1256 C5 SXO A 101 0.325 -3.508 1.938 1.00 0.90 C HETATM 1257 C6 SXO A 101 1.623 -2.829 1.544 1.00 0.83 C HETATM 1258 C7 SXO A 101 1.398 -1.806 0.442 1.00 0.79 C HETATM 1259 C8 SXO A 101 2.704 -1.132 0.104 1.00 0.83 C HETATM 0 HO33 SXO A 101 -4.116 -13.337 6.435 1.00 1.99 H new HETATM 0 HN41 SXO A 101 -4.135 -8.942 4.456 1.00 0.78 H new HETATM 0 HN36 SXO A 101 -5.401 -10.435 3.860 1.00 1.15 H new HETATM 0 H43A SXO A 101 -4.850 -6.552 6.949 1.00 1.09 H new HETATM 0 H42A SXO A 101 -5.068 -6.150 4.347 1.00 0.93 H new HETATM 0 H38A SXO A 101 -3.206 -8.970 1.387 1.00 1.09 H new HETATM 0 H37A SXO A 101 -2.585 -10.084 3.447 1.00 1.21 H new HETATM 0 H31B SXO A 101 -7.831 -13.461 3.727 1.00 1.26 H new HETATM 0 H31A SXO A 101 -6.205 -12.917 3.251 1.00 1.26 H new HETATM 0 H30B SXO A 101 -7.824 -11.798 6.990 1.00 1.57 H new HETATM 0 H30A SXO A 101 -8.770 -12.768 5.837 1.00 1.57 H new HETATM 0 H28A SXO A 101 -6.922 -10.597 3.668 1.00 1.09 H new HETATM 0 H8B SXO A 101 3.094 -0.631 0.990 1.00 0.83 H new HETATM 0 H8A SXO A 101 3.421 -1.879 -0.236 1.00 0.83 H new HETATM 0 H8 SXO A 101 2.541 -0.399 -0.686 1.00 0.83 H new HETATM 0 H7A SXO A 101 0.989 -2.294 -0.443 1.00 0.79 H new HETATM 0 H7 SXO A 101 0.667 -1.064 0.764 1.00 0.79 H new HETATM 0 H6A SXO A 101 2.059 -2.339 2.415 1.00 0.83 H new HETATM 0 H6 SXO A 101 2.340 -3.578 1.207 1.00 0.83 H new HETATM 0 H5A SXO A 101 -0.094 -4.024 1.074 1.00 0.90 H new HETATM 0 H5 SXO A 101 -0.402 -2.756 2.244 1.00 0.90 H new HETATM 0 H4A SXO A 101 1.022 -3.993 3.903 1.00 0.78 H new HETATM 0 H43 SXO A 101 -3.827 -7.888 6.460 1.00 1.09 H new HETATM 0 H42 SXO A 101 -6.069 -7.328 5.172 1.00 0.93 H new HETATM 0 H4 SXO A 101 1.215 -5.285 2.734 1.00 0.78 H new HETATM 0 H3A SXO A 101 -1.286 -5.563 2.683 1.00 0.75 H new HETATM 0 H38 SXO A 101 -4.791 -9.717 1.391 1.00 1.09 H new HETATM 0 H37 SXO A 101 -3.194 -11.276 2.316 1.00 1.21 H new HETATM 0 H32 SXO A 101 -5.545 -11.069 6.386 1.00 1.44 H new HETATM 0 H31 SXO A 101 -6.394 -14.170 4.501 1.00 1.26 H new HETATM 0 H30 SXO A 101 -7.400 -13.503 6.704 1.00 1.57 H new HETATM 0 H3 SXO A 101 -1.424 -4.334 3.924 1.00 0.75 H new HETATM 0 H2A SXO A 101 -0.033 -5.683 5.442 1.00 0.95 H new HETATM 0 H28 SXO A 101 -7.370 -10.070 5.279 1.00 1.09 H new HETATM 0 H2 SXO A 101 0.171 -6.900 4.198 1.00 0.95 H new