USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 642 hydrogens (31 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+ -108:sc= 0.144 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -128:sc= 1.66 USER MOD Single : A 4 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.5!) USER MOD Single : A 16 ASN :FLIP amide:sc= -2.18 F(o=-3.1,f=-2.2) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00492) USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 1.41 (180deg=0.491) USER MOD Single : A 31 SER OG : rot 180:sc= -0.457 USER MOD Single : A 33 THR OG1 : rot -110:sc= -0.138 USER MOD Single : A 42 SER OG : rot -110:sc= 0.0145 USER MOD Single : A 43 MET CE :methyl -141:sc= -2.15! (180deg=-2.99!) USER MOD Single : A 57 LYS NZ :NH3+ 134:sc= -1.21 (180deg=-3.51!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0076) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.87! USER MOD Single : A 73 THR OG1 : rot 88:sc= 1.17 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 80 GLN : amide:sc= -3.47! C(o=-3.5!,f=-5.2!) USER MOD Single : A 101 SXH O33 : rot 102:sc= -1.75! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.862 -8.701 5.040 1.00 1.43 N ATOM 2 CA ALA A 1 13.045 -7.771 4.280 1.00 0.89 C ATOM 3 C ALA A 1 11.661 -8.353 4.100 1.00 0.84 C ATOM 4 O ALA A 1 11.384 -9.476 4.545 1.00 1.31 O ATOM 5 CB ALA A 1 13.683 -7.499 2.926 1.00 1.02 C ATOM 0 H1 ALA A 1 14.017 -8.325 5.997 1.00 1.43 H new ATOM 0 H2 ALA A 1 13.376 -9.618 5.103 1.00 1.43 H new ATOM 0 H3 ALA A 1 14.778 -8.826 4.565 1.00 1.43 H new ATOM 0 HA ALA A 1 12.971 -6.828 4.821 1.00 0.89 H new ATOM 0 HB1 ALA A 1 13.062 -6.801 2.365 1.00 1.02 H new ATOM 0 HB2 ALA A 1 14.674 -7.068 3.071 1.00 1.02 H new ATOM 0 HB3 ALA A 1 13.771 -8.433 2.371 1.00 1.02 H new ATOM 13 N ALA A 2 10.785 -7.608 3.480 1.00 0.70 N ATOM 14 CA ALA A 2 9.469 -8.107 3.190 1.00 0.62 C ATOM 15 C ALA A 2 9.475 -8.757 1.823 1.00 0.65 C ATOM 16 O ALA A 2 10.430 -8.606 1.078 1.00 0.87 O ATOM 17 CB ALA A 2 8.440 -6.999 3.268 1.00 0.59 C ATOM 0 H ALA A 2 10.960 -6.653 3.166 1.00 0.70 H new ATOM 0 HA ALA A 2 9.193 -8.853 3.936 1.00 0.62 H new ATOM 0 HB1 ALA A 2 7.453 -7.403 3.044 1.00 0.59 H new ATOM 0 HB2 ALA A 2 8.439 -6.573 4.271 1.00 0.59 H new ATOM 0 HB3 ALA A 2 8.686 -6.222 2.544 1.00 0.59 H new ATOM 23 N THR A 3 8.426 -9.456 1.496 1.00 0.51 N ATOM 24 CA THR A 3 8.315 -10.135 0.233 1.00 0.54 C ATOM 25 C THR A 3 7.094 -9.572 -0.422 1.00 0.42 C ATOM 26 O THR A 3 6.524 -8.645 0.122 1.00 0.37 O ATOM 27 CB THR A 3 8.098 -11.649 0.422 1.00 0.64 C ATOM 28 OG1 THR A 3 6.855 -11.847 1.123 1.00 0.63 O ATOM 29 CG2 THR A 3 9.238 -12.278 1.207 1.00 0.82 C ATOM 0 H THR A 3 7.615 -9.573 2.103 1.00 0.51 H new ATOM 0 HA THR A 3 9.226 -9.996 -0.350 1.00 0.54 H new ATOM 0 HB THR A 3 8.067 -12.128 -0.556 1.00 0.64 H new ATOM 0 HG1 THR A 3 7.005 -12.429 1.897 1.00 0.63 H new ATOM 0 HG21 THR A 3 9.054 -13.346 1.323 1.00 0.82 H new ATOM 0 HG22 THR A 3 10.175 -12.127 0.671 1.00 0.82 H new ATOM 0 HG23 THR A 3 9.303 -11.812 2.190 1.00 0.82 H new ATOM 37 N GLN A 4 6.635 -10.159 -1.501 1.00 0.44 N ATOM 38 CA GLN A 4 5.423 -9.710 -2.144 1.00 0.42 C ATOM 39 C GLN A 4 4.281 -9.878 -1.140 1.00 0.38 C ATOM 40 O GLN A 4 3.631 -8.919 -0.745 1.00 0.38 O ATOM 41 CB GLN A 4 5.162 -10.553 -3.427 1.00 0.52 C ATOM 42 CG GLN A 4 4.176 -9.948 -4.446 1.00 0.66 C ATOM 43 CD GLN A 4 2.734 -9.819 -3.978 1.00 0.76 C ATOM 44 OE1 GLN A 4 2.057 -8.895 -4.362 1.00 1.24 O ATOM 45 NE2 GLN A 4 2.241 -10.774 -3.213 1.00 0.63 N ATOM 0 H GLN A 4 7.086 -10.954 -1.955 1.00 0.44 H new ATOM 0 HA GLN A 4 5.504 -8.666 -2.445 1.00 0.42 H new ATOM 0 HB2 GLN A 4 6.115 -10.719 -3.929 1.00 0.52 H new ATOM 0 HB3 GLN A 4 4.787 -11.531 -3.125 1.00 0.52 H new ATOM 0 HG2 GLN A 4 4.536 -8.959 -4.728 1.00 0.66 H new ATOM 0 HG3 GLN A 4 4.192 -10.562 -5.347 1.00 0.66 H new ATOM 0 HE21 GLN A 4 2.839 -11.541 -2.905 1.00 0.63 H new ATOM 0 HE22 GLN A 4 1.262 -10.746 -2.929 1.00 0.63 H new ATOM 54 N GLU A 5 4.147 -11.097 -0.657 1.00 0.40 N ATOM 55 CA GLU A 5 3.072 -11.488 0.244 1.00 0.46 C ATOM 56 C GLU A 5 3.163 -10.754 1.576 1.00 0.37 C ATOM 57 O GLU A 5 2.140 -10.399 2.170 1.00 0.37 O ATOM 58 CB GLU A 5 3.139 -12.984 0.465 1.00 0.63 C ATOM 59 CG GLU A 5 3.039 -13.771 -0.823 1.00 1.35 C ATOM 60 CD GLU A 5 3.346 -15.218 -0.627 1.00 1.79 C ATOM 61 OE1 GLU A 5 4.530 -15.581 -0.514 1.00 2.43 O ATOM 62 OE2 GLU A 5 2.392 -16.017 -0.561 1.00 2.08 O ATOM 0 H GLU A 5 4.789 -11.857 -0.880 1.00 0.40 H new ATOM 0 HA GLU A 5 2.119 -11.219 -0.210 1.00 0.46 H new ATOM 0 HB2 GLU A 5 4.075 -13.231 0.965 1.00 0.63 H new ATOM 0 HB3 GLU A 5 2.332 -13.285 1.133 1.00 0.63 H new ATOM 0 HG2 GLU A 5 2.034 -13.667 -1.233 1.00 1.35 H new ATOM 0 HG3 GLU A 5 3.727 -13.352 -1.557 1.00 1.35 H new ATOM 69 N GLU A 6 4.378 -10.520 2.030 1.00 0.36 N ATOM 70 CA GLU A 6 4.600 -9.809 3.271 1.00 0.37 C ATOM 71 C GLU A 6 4.241 -8.335 3.147 1.00 0.29 C ATOM 72 O GLU A 6 3.607 -7.787 4.043 1.00 0.31 O ATOM 73 CB GLU A 6 6.021 -10.003 3.784 1.00 0.46 C ATOM 74 CG GLU A 6 6.235 -11.221 4.677 1.00 0.67 C ATOM 75 CD GLU A 6 5.747 -12.539 4.099 1.00 1.38 C ATOM 76 OE1 GLU A 6 6.450 -13.115 3.243 1.00 2.07 O ATOM 77 OE2 GLU A 6 4.633 -12.991 4.451 1.00 1.91 O ATOM 0 H GLU A 6 5.231 -10.814 1.554 1.00 0.36 H new ATOM 0 HA GLU A 6 3.929 -10.241 4.014 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.691 -10.080 2.928 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.314 -9.111 4.339 1.00 0.46 H new ATOM 0 HG2 GLU A 6 7.299 -11.310 4.895 1.00 0.67 H new ATOM 0 HG3 GLU A 6 5.729 -11.049 5.627 1.00 0.67 H new ATOM 84 N ILE A 7 4.641 -7.686 2.038 1.00 0.24 N ATOM 85 CA ILE A 7 4.241 -6.302 1.798 1.00 0.19 C ATOM 86 C ILE A 7 2.729 -6.219 1.753 1.00 0.17 C ATOM 87 O ILE A 7 2.136 -5.408 2.457 1.00 0.20 O ATOM 88 CB ILE A 7 4.816 -5.774 0.477 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.327 -5.792 0.539 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.320 -4.353 0.196 1.00 0.19 C ATOM 91 CD1 ILE A 7 6.966 -5.558 -0.790 1.00 0.25 C ATOM 0 H ILE A 7 5.229 -8.094 1.312 1.00 0.24 H new ATOM 0 HA ILE A 7 4.632 -5.689 2.610 1.00 0.19 H new ATOM 0 HB ILE A 7 4.477 -6.419 -0.333 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.666 -5.028 1.239 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.658 -6.754 0.931 1.00 0.23 H new ATOM 0 HG21 ILE A 7 4.741 -4.000 -0.746 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.232 -4.354 0.129 1.00 0.19 H new ATOM 0 HG23 ILE A 7 4.633 -3.692 1.004 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.050 -5.582 -0.682 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.653 -6.336 -1.486 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.661 -4.584 -1.174 1.00 0.25 H new ATOM 103 N VAL A 8 2.128 -7.084 0.943 1.00 0.15 N ATOM 104 CA VAL A 8 0.662 -7.153 0.788 1.00 0.15 C ATOM 105 C VAL A 8 -0.033 -7.199 2.151 1.00 0.17 C ATOM 106 O VAL A 8 -0.846 -6.331 2.468 1.00 0.19 O ATOM 107 CB VAL A 8 0.244 -8.397 -0.052 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.265 -8.597 -0.046 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.708 -8.233 -1.473 1.00 0.18 C ATOM 0 H VAL A 8 2.634 -7.761 0.372 1.00 0.15 H new ATOM 0 HA VAL A 8 0.349 -6.251 0.262 1.00 0.15 H new ATOM 0 HB VAL A 8 0.711 -9.272 0.401 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.518 -9.474 -0.642 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.609 -8.743 0.978 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.750 -7.718 -0.470 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.413 -9.106 -2.055 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.255 -7.340 -1.903 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.793 -8.134 -1.492 1.00 0.18 H new ATOM 119 N ALA A 9 0.317 -8.186 2.954 1.00 0.19 N ATOM 120 CA ALA A 9 -0.285 -8.386 4.258 1.00 0.22 C ATOM 121 C ALA A 9 0.010 -7.223 5.216 1.00 0.18 C ATOM 122 O ALA A 9 -0.790 -6.931 6.108 1.00 0.20 O ATOM 123 CB ALA A 9 0.187 -9.701 4.843 1.00 0.28 C ATOM 0 H ALA A 9 1.031 -8.875 2.718 1.00 0.19 H new ATOM 0 HA ALA A 9 -1.367 -8.418 4.127 1.00 0.22 H new ATOM 0 HB1 ALA A 9 -0.268 -9.847 5.823 1.00 0.28 H new ATOM 0 HB2 ALA A 9 -0.103 -10.518 4.183 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.272 -9.685 4.945 1.00 0.28 H new ATOM 129 N GLY A 10 1.127 -6.553 5.005 1.00 0.17 N ATOM 130 CA GLY A 10 1.527 -5.453 5.832 1.00 0.17 C ATOM 131 C GLY A 10 0.739 -4.232 5.490 1.00 0.15 C ATOM 132 O GLY A 10 0.354 -3.486 6.357 1.00 0.18 O ATOM 0 H GLY A 10 1.779 -6.765 4.249 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.380 -5.707 6.882 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.591 -5.257 5.698 1.00 0.17 H new ATOM 136 N LEU A 11 0.496 -4.034 4.210 1.00 0.14 N ATOM 137 CA LEU A 11 -0.343 -2.943 3.756 1.00 0.14 C ATOM 138 C LEU A 11 -1.747 -3.218 4.217 1.00 0.13 C ATOM 139 O LEU A 11 -2.397 -2.361 4.798 1.00 0.15 O ATOM 140 CB LEU A 11 -0.338 -2.838 2.221 1.00 0.14 C ATOM 141 CG LEU A 11 1.021 -2.693 1.544 1.00 0.18 C ATOM 142 CD1 LEU A 11 0.857 -2.604 0.035 1.00 0.17 C ATOM 143 CD2 LEU A 11 1.762 -1.487 2.075 1.00 0.26 C ATOM 0 H LEU A 11 0.870 -4.618 3.462 1.00 0.14 H new ATOM 0 HA LEU A 11 0.037 -2.006 4.164 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.824 -3.727 1.819 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -0.951 -1.983 1.937 1.00 0.14 H new ATOM 0 HG LEU A 11 1.613 -3.579 1.774 1.00 0.18 H new ATOM 0 HD11 LEU A 11 1.836 -2.501 -0.432 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.373 -3.509 -0.332 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.243 -1.738 -0.214 1.00 0.17 H new ATOM 0 HD21 LEU A 11 2.728 -1.405 1.577 1.00 0.26 H new ATOM 0 HD22 LEU A 11 1.177 -0.587 1.883 1.00 0.26 H new ATOM 0 HD23 LEU A 11 1.916 -1.598 3.148 1.00 0.26 H new ATOM 155 N ALA A 12 -2.175 -4.454 3.995 1.00 0.12 N ATOM 156 CA ALA A 12 -3.503 -4.902 4.328 1.00 0.13 C ATOM 157 C ALA A 12 -3.836 -4.679 5.779 1.00 0.13 C ATOM 158 O ALA A 12 -4.874 -4.112 6.065 1.00 0.15 O ATOM 159 CB ALA A 12 -3.697 -6.345 3.963 1.00 0.14 C ATOM 0 H ALA A 12 -1.594 -5.177 3.572 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.191 -4.297 3.738 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.709 -6.654 4.226 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.546 -6.473 2.891 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.977 -6.958 4.506 1.00 0.14 H new ATOM 165 N GLU A 13 -2.941 -5.071 6.697 1.00 0.13 N ATOM 166 CA GLU A 13 -3.201 -4.905 8.137 1.00 0.18 C ATOM 167 C GLU A 13 -3.415 -3.437 8.503 1.00 0.18 C ATOM 168 O GLU A 13 -4.064 -3.120 9.504 1.00 0.27 O ATOM 169 CB GLU A 13 -2.116 -5.543 9.019 1.00 0.27 C ATOM 170 CG GLU A 13 -0.739 -4.967 8.808 1.00 0.28 C ATOM 171 CD GLU A 13 0.280 -5.468 9.787 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.314 -4.993 10.932 1.00 0.66 O ATOM 173 OE2 GLU A 13 1.016 -6.418 9.460 1.00 0.76 O ATOM 0 H GLU A 13 -2.043 -5.499 6.474 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.126 -5.444 8.342 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.394 -5.420 10.066 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -2.085 -6.614 8.821 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.406 -5.204 7.797 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -0.794 -3.881 8.879 1.00 0.28 H new ATOM 180 N ILE A 14 -2.883 -2.561 7.691 1.00 0.13 N ATOM 181 CA ILE A 14 -3.096 -1.135 7.859 1.00 0.13 C ATOM 182 C ILE A 14 -4.468 -0.756 7.238 1.00 0.13 C ATOM 183 O ILE A 14 -5.320 -0.154 7.898 1.00 0.17 O ATOM 184 CB ILE A 14 -1.970 -0.342 7.172 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.613 -0.836 7.678 1.00 0.19 C ATOM 186 CG2 ILE A 14 -2.129 1.137 7.505 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.556 -0.360 6.854 1.00 0.25 C ATOM 0 H ILE A 14 -2.292 -2.807 6.897 1.00 0.13 H new ATOM 0 HA ILE A 14 -3.090 -0.889 8.921 1.00 0.13 H new ATOM 0 HB ILE A 14 -2.025 -0.485 6.093 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.478 -0.505 8.708 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.616 -1.926 7.691 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.335 1.706 7.022 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -3.097 1.489 7.147 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -2.069 1.275 8.585 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.482 -0.752 7.276 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.446 -0.713 5.829 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.587 0.730 6.861 1.00 0.25 H new ATOM 199 N VAL A 15 -4.666 -1.134 5.970 1.00 0.10 N ATOM 200 CA VAL A 15 -5.902 -0.884 5.211 1.00 0.11 C ATOM 201 C VAL A 15 -7.128 -1.376 5.985 1.00 0.12 C ATOM 202 O VAL A 15 -8.158 -0.700 6.014 1.00 0.17 O ATOM 203 CB VAL A 15 -5.875 -1.603 3.837 1.00 0.12 C ATOM 204 CG1 VAL A 15 -7.082 -1.229 3.002 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.623 -1.277 3.084 1.00 0.15 C ATOM 0 H VAL A 15 -3.959 -1.632 5.430 1.00 0.10 H new ATOM 0 HA VAL A 15 -5.966 0.193 5.058 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.900 -2.675 4.032 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -7.037 -1.748 2.044 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -7.992 -1.517 3.528 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -7.087 -0.152 2.832 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.630 -1.794 2.125 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.569 -0.201 2.916 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.757 -1.598 3.662 1.00 0.15 H new ATOM 215 N ASN A 16 -6.991 -2.545 6.614 1.00 0.11 N ATOM 216 CA ASN A 16 -8.058 -3.161 7.440 1.00 0.15 C ATOM 217 C ASN A 16 -8.590 -2.212 8.495 1.00 0.19 C ATOM 218 O ASN A 16 -9.767 -2.250 8.828 1.00 0.27 O ATOM 219 CB ASN A 16 -7.576 -4.413 8.195 1.00 0.18 C ATOM 220 CG ASN A 16 -7.512 -5.713 7.422 1.00 0.32 C ATOM 221 OD1 ASN A 16 -7.038 -5.697 6.229 1.00 0.85 O flip ATOM 222 ND2 ASN A 16 -7.838 -6.754 7.954 1.00 0.15 N flip ATOM 0 H ASN A 16 -6.137 -3.102 6.571 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.835 -3.421 6.722 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.581 -4.206 8.589 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -8.233 -4.563 9.052 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -8.213 -6.746 8.903 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -7.737 -7.636 7.452 1.00 0.15 H new ATOM 229 N GLU A 17 -7.724 -1.377 9.015 1.00 0.21 N ATOM 230 CA GLU A 17 -8.067 -0.481 10.096 1.00 0.29 C ATOM 231 C GLU A 17 -8.815 0.750 9.572 1.00 0.27 C ATOM 232 O GLU A 17 -9.833 1.153 10.130 1.00 0.39 O ATOM 233 CB GLU A 17 -6.787 -0.021 10.800 1.00 0.40 C ATOM 234 CG GLU A 17 -5.877 -1.144 11.292 1.00 0.51 C ATOM 235 CD GLU A 17 -6.381 -1.881 12.516 1.00 1.42 C ATOM 236 OE1 GLU A 17 -7.197 -2.811 12.352 1.00 2.35 O ATOM 237 OE2 GLU A 17 -6.025 -1.504 13.662 1.00 1.56 O ATOM 0 H GLU A 17 -6.757 -1.298 8.700 1.00 0.21 H new ATOM 0 HA GLU A 17 -8.713 -1.015 10.792 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -6.221 0.610 10.115 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -7.063 0.601 11.652 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -5.740 -1.862 10.484 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -4.896 -0.726 11.516 1.00 0.51 H new ATOM 244 N ILE A 18 -8.330 1.324 8.480 1.00 0.21 N ATOM 245 CA ILE A 18 -8.872 2.606 8.034 1.00 0.22 C ATOM 246 C ILE A 18 -9.938 2.429 6.928 1.00 0.23 C ATOM 247 O ILE A 18 -11.064 2.900 7.067 1.00 0.28 O ATOM 248 CB ILE A 18 -7.750 3.478 7.446 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.447 3.343 8.222 1.00 0.24 C ATOM 250 CG2 ILE A 18 -8.181 4.936 7.481 1.00 0.28 C ATOM 251 CD1 ILE A 18 -5.303 4.044 7.543 1.00 0.27 C ATOM 0 H ILE A 18 -7.585 0.939 7.899 1.00 0.21 H new ATOM 0 HA ILE A 18 -9.325 3.074 8.908 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.575 3.140 6.425 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.579 3.753 9.223 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -6.205 2.287 8.340 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.389 5.559 7.065 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -9.089 5.061 6.891 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -8.374 5.234 8.512 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -4.396 3.919 8.135 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -5.151 3.617 6.552 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.531 5.106 7.449 1.00 0.27 H new ATOM 263 N ALA A 19 -9.590 1.743 5.833 1.00 0.21 N ATOM 264 CA ALA A 19 -10.557 1.560 4.730 1.00 0.26 C ATOM 265 C ALA A 19 -11.467 0.402 5.015 1.00 0.26 C ATOM 266 O ALA A 19 -12.610 0.362 4.567 1.00 0.44 O ATOM 267 CB ALA A 19 -9.860 1.332 3.402 1.00 0.28 C ATOM 0 H ALA A 19 -8.676 1.315 5.682 1.00 0.21 H new ATOM 0 HA ALA A 19 -11.140 2.478 4.660 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -10.605 1.202 2.617 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -9.233 2.192 3.168 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -9.240 0.438 3.465 1.00 0.28 H new ATOM 273 N GLY A 20 -10.946 -0.550 5.740 1.00 0.18 N ATOM 274 CA GLY A 20 -11.710 -1.694 6.093 1.00 0.22 C ATOM 275 C GLY A 20 -11.642 -2.773 5.052 1.00 0.18 C ATOM 276 O GLY A 20 -12.511 -3.636 5.007 1.00 0.27 O ATOM 0 H GLY A 20 -9.990 -0.547 6.095 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.351 -2.088 7.044 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.749 -1.401 6.241 1.00 0.22 H new ATOM 280 N ILE A 21 -10.627 -2.724 4.193 1.00 0.14 N ATOM 281 CA ILE A 21 -10.441 -3.761 3.217 1.00 0.15 C ATOM 282 C ILE A 21 -9.737 -4.894 3.902 1.00 0.16 C ATOM 283 O ILE A 21 -8.597 -4.707 4.309 1.00 0.17 O ATOM 284 CB ILE A 21 -9.555 -3.292 2.061 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.183 -2.069 1.403 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.365 -4.427 1.062 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.632 -2.274 1.062 1.00 0.25 C ATOM 0 H ILE A 21 -9.932 -1.978 4.163 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.412 -4.049 2.815 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.572 -3.010 2.437 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.089 -1.213 2.072 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.631 -1.826 0.495 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.733 -4.087 0.241 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.891 -5.273 1.559 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.335 -4.733 0.671 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -12.027 -1.371 0.596 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.728 -3.111 0.371 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.193 -2.488 1.972 1.00 0.25 H new ATOM 299 N PRO A 22 -10.387 -6.058 4.073 1.00 0.21 N ATOM 300 CA PRO A 22 -9.811 -7.193 4.792 1.00 0.24 C ATOM 301 C PRO A 22 -8.533 -7.707 4.140 1.00 0.21 C ATOM 302 O PRO A 22 -8.305 -7.515 2.931 1.00 0.21 O ATOM 303 CB PRO A 22 -10.899 -8.268 4.719 1.00 0.33 C ATOM 304 CG PRO A 22 -12.144 -7.531 4.416 1.00 0.33 C ATOM 305 CD PRO A 22 -11.734 -6.368 3.568 1.00 0.25 C ATOM 0 HA PRO A 22 -9.531 -6.917 5.809 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.677 -9.003 3.945 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -10.981 -8.811 5.660 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.856 -8.167 3.890 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.632 -7.195 5.331 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.720 -6.624 2.509 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.414 -5.524 3.683 1.00 0.25 H new ATOM 313 N VAL A 23 -7.721 -8.420 4.925 1.00 0.24 N ATOM 314 CA VAL A 23 -6.433 -8.946 4.444 1.00 0.29 C ATOM 315 C VAL A 23 -6.640 -10.047 3.407 1.00 0.35 C ATOM 316 O VAL A 23 -5.708 -10.475 2.741 1.00 0.51 O ATOM 317 CB VAL A 23 -5.527 -9.498 5.589 1.00 0.37 C ATOM 318 CG1 VAL A 23 -5.146 -8.411 6.575 1.00 0.84 C ATOM 319 CG2 VAL A 23 -6.214 -10.646 6.312 1.00 0.90 C ATOM 0 H VAL A 23 -7.929 -8.648 5.897 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.923 -8.095 3.992 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.611 -9.868 5.129 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -4.515 -8.834 7.357 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -4.600 -7.623 6.055 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -6.048 -7.993 7.022 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -5.565 -11.016 7.106 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -7.152 -10.295 6.743 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -6.418 -11.451 5.606 1.00 0.90 H new ATOM 329 N GLU A 24 -7.877 -10.453 3.269 1.00 0.37 N ATOM 330 CA GLU A 24 -8.270 -11.488 2.358 1.00 0.54 C ATOM 331 C GLU A 24 -8.469 -10.909 0.978 1.00 0.40 C ATOM 332 O GLU A 24 -8.174 -11.550 -0.025 1.00 0.46 O ATOM 333 CB GLU A 24 -9.590 -12.077 2.816 1.00 0.87 C ATOM 334 CG GLU A 24 -9.607 -12.528 4.255 1.00 1.32 C ATOM 335 CD GLU A 24 -10.955 -13.032 4.657 1.00 2.07 C ATOM 336 OE1 GLU A 24 -11.796 -12.230 5.094 1.00 2.99 O ATOM 337 OE2 GLU A 24 -11.201 -14.247 4.572 1.00 2.34 O ATOM 0 H GLU A 24 -8.654 -10.061 3.801 1.00 0.37 H new ATOM 0 HA GLU A 24 -7.493 -12.252 2.333 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -10.375 -11.334 2.672 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -9.835 -12.927 2.179 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -8.866 -13.314 4.399 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -9.321 -11.698 4.901 1.00 1.32 H new ATOM 344 N ASP A 25 -8.951 -9.677 0.931 1.00 0.30 N ATOM 345 CA ASP A 25 -9.316 -9.086 -0.322 1.00 0.25 C ATOM 346 C ASP A 25 -8.132 -8.376 -0.953 1.00 0.20 C ATOM 347 O ASP A 25 -8.008 -8.348 -2.189 1.00 0.20 O ATOM 348 CB ASP A 25 -10.518 -8.157 -0.150 1.00 0.31 C ATOM 349 CG ASP A 25 -11.166 -7.795 -1.467 1.00 0.42 C ATOM 350 OD1 ASP A 25 -11.244 -8.641 -2.369 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.601 -6.636 -1.621 1.00 0.53 O ATOM 0 H ASP A 25 -9.093 -9.080 1.746 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.614 -9.880 -1.007 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -11.255 -8.638 0.493 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -10.199 -7.246 0.356 1.00 0.31 H new ATOM 356 N VAL A 26 -7.263 -7.790 -0.102 1.00 0.18 N ATOM 357 CA VAL A 26 -6.012 -7.169 -0.545 1.00 0.16 C ATOM 358 C VAL A 26 -5.105 -8.213 -1.207 1.00 0.16 C ATOM 359 O VAL A 26 -4.446 -9.012 -0.532 1.00 0.19 O ATOM 360 CB VAL A 26 -5.240 -6.528 0.650 1.00 0.15 C ATOM 361 CG1 VAL A 26 -3.898 -5.939 0.201 1.00 0.16 C ATOM 362 CG2 VAL A 26 -6.074 -5.457 1.321 1.00 0.18 C ATOM 0 H VAL A 26 -7.414 -7.738 0.905 1.00 0.18 H new ATOM 0 HA VAL A 26 -6.273 -6.389 -1.260 1.00 0.16 H new ATOM 0 HB VAL A 26 -5.041 -7.323 1.369 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.388 -5.501 1.059 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.279 -6.728 -0.226 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -4.072 -5.168 -0.550 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.514 -5.026 2.151 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.312 -4.676 0.599 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -6.997 -5.897 1.697 1.00 0.18 H new ATOM 372 N LYS A 27 -5.185 -8.265 -2.496 1.00 0.21 N ATOM 373 CA LYS A 27 -4.344 -9.095 -3.314 1.00 0.25 C ATOM 374 C LYS A 27 -3.631 -8.172 -4.271 1.00 0.44 C ATOM 375 O LYS A 27 -4.087 -7.068 -4.476 1.00 1.20 O ATOM 376 CB LYS A 27 -5.174 -10.168 -4.040 1.00 0.26 C ATOM 377 CG LYS A 27 -5.840 -11.167 -3.094 1.00 0.36 C ATOM 378 CD LYS A 27 -4.795 -11.942 -2.297 1.00 1.43 C ATOM 379 CE LYS A 27 -5.416 -12.834 -1.237 1.00 1.66 C ATOM 380 NZ LYS A 27 -6.322 -13.858 -1.791 1.00 2.03 N ATOM 0 H LYS A 27 -5.857 -7.716 -3.032 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.617 -9.644 -2.715 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -5.942 -9.678 -4.638 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.528 -10.709 -4.731 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -6.506 -10.639 -2.411 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -6.455 -11.861 -3.666 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -4.202 -12.552 -2.978 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -4.111 -11.239 -1.821 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -4.622 -13.327 -0.677 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -5.968 -12.215 -0.530 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -6.685 -14.454 -1.020 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -7.117 -13.393 -2.274 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -5.803 -14.450 -2.471 1.00 2.03 H new ATOM 394 N LEU A 28 -2.580 -8.613 -4.893 1.00 0.34 N ATOM 395 CA LEU A 28 -1.703 -7.717 -5.655 1.00 0.34 C ATOM 396 C LEU A 28 -2.405 -7.115 -6.880 1.00 0.32 C ATOM 397 O LEU A 28 -2.098 -5.996 -7.307 1.00 0.46 O ATOM 398 CB LEU A 28 -0.403 -8.450 -6.037 1.00 0.56 C ATOM 399 CG LEU A 28 -0.381 -9.326 -7.297 1.00 0.58 C ATOM 400 CD1 LEU A 28 -0.037 -8.492 -8.532 1.00 1.20 C ATOM 401 CD2 LEU A 28 0.596 -10.478 -7.134 1.00 1.12 C ATOM 0 H LEU A 28 -2.291 -9.591 -4.899 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.446 -6.873 -5.015 1.00 0.34 H new ATOM 0 HB2 LEU A 28 0.378 -7.698 -6.147 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -0.122 -9.081 -5.194 1.00 0.56 H new ATOM 0 HG LEU A 28 -1.378 -9.744 -7.438 1.00 0.58 H new ATOM 0 HD11 LEU A 28 -0.027 -9.134 -9.413 1.00 1.20 H new ATOM 0 HD12 LEU A 28 -0.784 -7.709 -8.662 1.00 1.20 H new ATOM 0 HD13 LEU A 28 0.946 -8.038 -8.403 1.00 1.20 H new ATOM 0 HD21 LEU A 28 0.596 -11.086 -8.039 1.00 1.12 H new ATOM 0 HD22 LEU A 28 1.598 -10.084 -6.962 1.00 1.12 H new ATOM 0 HD23 LEU A 28 0.297 -11.092 -6.284 1.00 1.12 H new ATOM 413 N ASP A 29 -3.394 -7.814 -7.361 1.00 0.34 N ATOM 414 CA ASP A 29 -4.115 -7.464 -8.568 1.00 0.46 C ATOM 415 C ASP A 29 -5.168 -6.454 -8.261 1.00 0.34 C ATOM 416 O ASP A 29 -5.871 -5.974 -9.154 1.00 0.56 O ATOM 417 CB ASP A 29 -4.827 -8.699 -9.112 1.00 0.79 C ATOM 418 CG ASP A 29 -3.923 -9.765 -9.642 1.00 1.41 C ATOM 419 OD1 ASP A 29 -3.409 -10.565 -8.845 1.00 2.12 O ATOM 420 OD2 ASP A 29 -3.653 -9.791 -10.864 1.00 1.85 O ATOM 0 H ASP A 29 -3.736 -8.667 -6.918 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.401 -7.069 -9.290 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -5.441 -9.125 -8.319 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -5.504 -8.389 -9.908 1.00 0.79 H new ATOM 425 N LYS A 30 -5.279 -6.109 -7.009 1.00 0.26 N ATOM 426 CA LYS A 30 -6.344 -5.321 -6.592 1.00 0.21 C ATOM 427 C LYS A 30 -5.951 -3.896 -6.567 1.00 0.22 C ATOM 428 O LYS A 30 -5.012 -3.494 -5.871 1.00 0.32 O ATOM 429 CB LYS A 30 -6.845 -5.729 -5.221 1.00 0.23 C ATOM 430 CG LYS A 30 -7.144 -7.193 -5.019 1.00 0.43 C ATOM 431 CD LYS A 30 -7.923 -7.810 -6.150 1.00 0.61 C ATOM 432 CE LYS A 30 -8.625 -9.068 -5.701 1.00 0.66 C ATOM 433 NZ LYS A 30 -9.658 -8.769 -4.690 1.00 1.38 N ATOM 0 H LYS A 30 -4.625 -6.377 -6.273 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.153 -5.468 -7.308 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -6.101 -5.428 -4.483 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.752 -5.164 -5.008 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -6.205 -7.734 -4.898 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -7.705 -7.316 -4.093 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -8.655 -7.095 -6.524 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -7.251 -8.040 -6.976 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -9.084 -9.558 -6.560 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -7.897 -9.766 -5.286 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -10.435 -9.456 -4.773 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -9.241 -8.831 -3.739 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -10.027 -7.809 -4.844 1.00 1.38 H new ATOM 447 N SER A 31 -6.587 -3.171 -7.375 1.00 0.20 N ATOM 448 CA SER A 31 -6.499 -1.752 -7.350 1.00 0.21 C ATOM 449 C SER A 31 -7.249 -1.286 -6.105 1.00 0.19 C ATOM 450 O SER A 31 -8.470 -1.393 -6.051 1.00 0.21 O ATOM 451 CB SER A 31 -7.156 -1.181 -8.605 1.00 0.26 C ATOM 452 OG SER A 31 -6.653 -1.804 -9.774 1.00 1.23 O ATOM 0 H SER A 31 -7.205 -3.538 -8.099 1.00 0.20 H new ATOM 0 HA SER A 31 -5.462 -1.416 -7.325 1.00 0.21 H new ATOM 0 HB2 SER A 31 -8.235 -1.322 -8.550 1.00 0.26 H new ATOM 0 HB3 SER A 31 -6.977 -0.107 -8.656 1.00 0.26 H new ATOM 0 HG SER A 31 -7.091 -1.422 -10.563 1.00 1.23 H new ATOM 458 N PHE A 32 -6.511 -0.906 -5.076 1.00 0.21 N ATOM 459 CA PHE A 32 -7.092 -0.403 -3.803 1.00 0.20 C ATOM 460 C PHE A 32 -8.346 0.493 -3.981 1.00 0.23 C ATOM 461 O PHE A 32 -9.441 0.150 -3.509 1.00 0.28 O ATOM 462 CB PHE A 32 -6.058 0.362 -2.991 1.00 0.21 C ATOM 463 CG PHE A 32 -5.104 -0.480 -2.214 1.00 0.18 C ATOM 464 CD1 PHE A 32 -5.486 -1.002 -0.994 1.00 0.22 C ATOM 465 CD2 PHE A 32 -3.829 -0.733 -2.678 1.00 0.17 C ATOM 466 CE1 PHE A 32 -4.623 -1.761 -0.248 1.00 0.22 C ATOM 467 CE2 PHE A 32 -2.950 -1.491 -1.935 1.00 0.18 C ATOM 468 CZ PHE A 32 -3.347 -2.010 -0.713 1.00 0.18 C ATOM 0 H PHE A 32 -5.491 -0.930 -5.081 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.409 -1.302 -3.274 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.487 0.997 -3.668 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.581 1.022 -2.299 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -6.481 -0.809 -0.622 1.00 0.22 H new ATOM 0 HD2 PHE A 32 -3.517 -0.333 -3.632 1.00 0.17 H new ATOM 0 HE1 PHE A 32 -4.940 -2.164 0.702 1.00 0.22 H new ATOM 0 HE2 PHE A 32 -1.953 -1.680 -2.305 1.00 0.18 H new ATOM 0 HZ PHE A 32 -2.662 -2.606 -0.128 1.00 0.18 H new ATOM 478 N THR A 33 -8.178 1.614 -4.635 1.00 0.25 N ATOM 479 CA THR A 33 -9.222 2.600 -4.879 1.00 0.37 C ATOM 480 C THR A 33 -10.142 2.181 -6.075 1.00 0.37 C ATOM 481 O THR A 33 -10.597 3.025 -6.856 1.00 0.59 O ATOM 482 CB THR A 33 -8.489 3.914 -5.217 1.00 0.56 C ATOM 483 OG1 THR A 33 -7.264 3.921 -4.483 1.00 1.39 O ATOM 484 CG2 THR A 33 -9.265 5.120 -4.772 1.00 0.88 C ATOM 0 H THR A 33 -7.278 1.884 -5.031 1.00 0.25 H new ATOM 0 HA THR A 33 -9.869 2.699 -4.007 1.00 0.37 H new ATOM 0 HB THR A 33 -8.348 3.960 -6.297 1.00 0.56 H new ATOM 0 HG1 THR A 33 -7.310 4.599 -3.777 1.00 1.39 H new ATOM 0 HG21 THR A 33 -8.713 6.024 -5.030 1.00 0.88 H new ATOM 0 HG22 THR A 33 -10.234 5.133 -5.270 1.00 0.88 H new ATOM 0 HG23 THR A 33 -9.412 5.080 -3.693 1.00 0.88 H new ATOM 492 N ASP A 34 -10.471 0.892 -6.145 1.00 0.27 N ATOM 493 CA ASP A 34 -11.275 0.340 -7.246 1.00 0.29 C ATOM 494 C ASP A 34 -11.874 -1.014 -6.851 1.00 0.30 C ATOM 495 O ASP A 34 -13.070 -1.135 -6.615 1.00 0.46 O ATOM 496 CB ASP A 34 -10.384 0.170 -8.504 1.00 0.34 C ATOM 497 CG ASP A 34 -11.094 -0.438 -9.708 1.00 0.44 C ATOM 498 OD1 ASP A 34 -11.184 -1.685 -9.812 1.00 0.54 O ATOM 499 OD2 ASP A 34 -11.523 0.323 -10.601 1.00 0.59 O ATOM 0 H ASP A 34 -10.193 0.201 -5.448 1.00 0.27 H new ATOM 0 HA ASP A 34 -12.090 1.030 -7.464 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -9.988 1.145 -8.787 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -9.531 -0.458 -8.247 1.00 0.34 H new ATOM 504 N ASP A 35 -11.003 -1.996 -6.709 1.00 0.22 N ATOM 505 CA ASP A 35 -11.380 -3.397 -6.455 1.00 0.25 C ATOM 506 C ASP A 35 -11.801 -3.580 -5.034 1.00 0.28 C ATOM 507 O ASP A 35 -12.845 -4.163 -4.729 1.00 0.47 O ATOM 508 CB ASP A 35 -10.155 -4.294 -6.681 1.00 0.29 C ATOM 509 CG ASP A 35 -10.498 -5.772 -6.722 1.00 0.88 C ATOM 510 OD1 ASP A 35 -10.609 -6.412 -5.656 1.00 1.28 O ATOM 511 OD2 ASP A 35 -10.612 -6.333 -7.841 1.00 1.31 O ATOM 0 H ASP A 35 -9.995 -1.853 -6.766 1.00 0.22 H new ATOM 0 HA ASP A 35 -12.199 -3.656 -7.126 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -9.674 -4.013 -7.618 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.431 -4.117 -5.886 1.00 0.29 H new ATOM 516 N LEU A 36 -10.972 -3.075 -4.182 1.00 0.19 N ATOM 517 CA LEU A 36 -11.102 -3.231 -2.774 1.00 0.18 C ATOM 518 C LEU A 36 -12.130 -2.270 -2.229 1.00 0.22 C ATOM 519 O LEU A 36 -13.218 -2.680 -1.816 1.00 0.41 O ATOM 520 CB LEU A 36 -9.731 -2.974 -2.153 1.00 0.16 C ATOM 521 CG LEU A 36 -8.604 -3.867 -2.669 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.310 -3.584 -1.963 1.00 0.21 C ATOM 523 CD2 LEU A 36 -8.965 -5.308 -2.517 1.00 0.21 C ATOM 0 H LEU A 36 -10.159 -2.524 -4.457 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.441 -4.238 -2.530 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.459 -1.934 -2.331 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.809 -3.103 -1.073 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.468 -3.644 -3.727 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.531 -4.237 -2.356 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -7.027 -2.544 -2.125 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.431 -3.765 -0.895 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -8.150 -5.929 -2.890 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -9.138 -5.531 -1.464 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.871 -5.518 -3.086 1.00 0.21 H new ATOM 535 N ASP A 37 -11.729 -1.010 -2.240 1.00 0.21 N ATOM 536 CA ASP A 37 -12.479 0.205 -1.835 1.00 0.31 C ATOM 537 C ASP A 37 -11.827 0.914 -0.691 1.00 0.32 C ATOM 538 O ASP A 37 -12.259 0.852 0.469 1.00 0.65 O ATOM 539 CB ASP A 37 -13.996 0.048 -1.640 1.00 0.49 C ATOM 540 CG ASP A 37 -14.689 1.328 -1.235 1.00 0.82 C ATOM 541 OD1 ASP A 37 -14.548 2.344 -1.953 1.00 1.24 O ATOM 542 OD2 ASP A 37 -15.371 1.351 -0.184 1.00 1.05 O ATOM 0 H ASP A 37 -10.790 -0.772 -2.558 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.414 0.842 -2.717 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.437 -0.317 -2.568 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -14.180 -0.711 -0.880 1.00 0.49 H new ATOM 547 N VAL A 38 -10.717 1.508 -0.999 1.00 0.30 N ATOM 548 CA VAL A 38 -10.027 2.311 -0.054 1.00 0.32 C ATOM 549 C VAL A 38 -10.575 3.729 -0.207 1.00 0.38 C ATOM 550 O VAL A 38 -10.997 4.108 -1.297 1.00 0.52 O ATOM 551 CB VAL A 38 -8.473 2.272 -0.282 1.00 0.37 C ATOM 552 CG1 VAL A 38 -8.046 3.033 -1.514 1.00 0.65 C ATOM 553 CG2 VAL A 38 -7.707 2.743 0.928 1.00 0.79 C ATOM 0 H VAL A 38 -10.268 1.447 -1.913 1.00 0.30 H new ATOM 0 HA VAL A 38 -10.187 1.937 0.957 1.00 0.32 H new ATOM 0 HB VAL A 38 -8.226 1.223 -0.446 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -6.963 2.972 -1.622 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.523 2.600 -2.393 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.343 4.077 -1.418 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.638 2.698 0.722 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -7.989 3.770 1.160 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -7.940 2.102 1.778 1.00 0.79 H new ATOM 563 N ASP A 39 -10.578 4.495 0.849 1.00 0.47 N ATOM 564 CA ASP A 39 -11.102 5.863 0.802 1.00 0.61 C ATOM 565 C ASP A 39 -10.018 6.821 0.383 1.00 0.60 C ATOM 566 O ASP A 39 -10.195 8.023 0.441 1.00 1.08 O ATOM 567 CB ASP A 39 -11.591 6.291 2.182 1.00 0.82 C ATOM 568 CG ASP A 39 -12.794 5.539 2.683 1.00 1.49 C ATOM 569 OD1 ASP A 39 -12.631 4.430 3.249 1.00 2.28 O ATOM 570 OD2 ASP A 39 -13.922 6.067 2.579 1.00 1.92 O ATOM 0 H ASP A 39 -10.226 4.209 1.762 1.00 0.47 H new ATOM 0 HA ASP A 39 -11.924 5.881 0.086 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -10.777 6.165 2.896 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -11.829 7.354 2.155 1.00 0.82 H new ATOM 575 N SER A 40 -8.889 6.253 -0.021 1.00 0.38 N ATOM 576 CA SER A 40 -7.632 6.940 -0.324 1.00 0.37 C ATOM 577 C SER A 40 -7.032 7.818 0.812 1.00 0.32 C ATOM 578 O SER A 40 -5.834 8.031 0.860 1.00 0.37 O ATOM 579 CB SER A 40 -7.547 7.541 -1.739 1.00 0.56 C ATOM 580 OG SER A 40 -8.645 8.448 -2.061 1.00 0.75 O ATOM 0 H SER A 40 -8.818 5.244 -0.155 1.00 0.38 H new ATOM 0 HA SER A 40 -6.921 6.114 -0.355 1.00 0.37 H new ATOM 0 HB2 SER A 40 -6.604 8.078 -1.840 1.00 0.56 H new ATOM 0 HB3 SER A 40 -7.532 6.730 -2.468 1.00 0.56 H new ATOM 585 N LEU A 41 -7.853 8.232 1.752 1.00 0.31 N ATOM 586 CA LEU A 41 -7.413 8.963 2.921 1.00 0.32 C ATOM 587 C LEU A 41 -6.815 7.981 3.866 1.00 0.26 C ATOM 588 O LEU A 41 -5.966 8.303 4.687 1.00 0.36 O ATOM 589 CB LEU A 41 -8.580 9.684 3.565 1.00 0.39 C ATOM 590 CG LEU A 41 -9.235 10.730 2.686 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.422 11.360 3.386 1.00 0.86 C ATOM 592 CD2 LEU A 41 -8.218 11.788 2.289 1.00 0.77 C ATOM 0 H LEU A 41 -8.859 8.068 1.726 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.677 9.718 2.645 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -9.331 8.948 3.853 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -8.234 10.163 4.481 1.00 0.39 H new ATOM 0 HG LEU A 41 -9.603 10.243 1.783 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -10.874 12.107 2.734 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -11.157 10.590 3.620 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -10.090 11.837 4.308 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -8.698 12.535 1.657 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -7.824 12.269 3.185 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -7.401 11.320 1.740 1.00 0.77 H new ATOM 604 N SER A 42 -7.242 6.745 3.695 1.00 0.16 N ATOM 605 CA SER A 42 -6.707 5.637 4.380 1.00 0.19 C ATOM 606 C SER A 42 -5.265 5.531 3.968 1.00 0.15 C ATOM 607 O SER A 42 -4.390 5.379 4.782 1.00 0.15 O ATOM 608 CB SER A 42 -7.419 4.388 3.886 1.00 0.30 C ATOM 609 OG SER A 42 -8.820 4.600 3.774 1.00 0.71 O ATOM 0 H SER A 42 -7.994 6.501 3.051 1.00 0.16 H new ATOM 0 HA SER A 42 -6.817 5.742 5.459 1.00 0.19 H new ATOM 0 HB2 SER A 42 -7.015 4.096 2.917 1.00 0.30 H new ATOM 0 HB3 SER A 42 -7.228 3.563 4.572 1.00 0.30 H new ATOM 0 HG SER A 42 -9.285 4.086 4.467 1.00 0.71 H new ATOM 615 N MET A 43 -5.046 5.747 2.677 1.00 0.18 N ATOM 616 CA MET A 43 -3.777 5.547 2.044 1.00 0.21 C ATOM 617 C MET A 43 -2.771 6.551 2.560 1.00 0.18 C ATOM 618 O MET A 43 -1.589 6.278 2.598 1.00 0.21 O ATOM 619 CB MET A 43 -3.927 5.665 0.531 1.00 0.28 C ATOM 620 CG MET A 43 -2.796 5.042 -0.222 1.00 0.39 C ATOM 621 SD MET A 43 -2.706 3.281 0.129 1.00 0.42 S ATOM 622 CE MET A 43 -4.251 2.713 -0.565 1.00 0.34 C ATOM 0 H MET A 43 -5.771 6.073 2.039 1.00 0.18 H new ATOM 0 HA MET A 43 -3.415 4.547 2.281 1.00 0.21 H new ATOM 0 HB2 MET A 43 -4.861 5.193 0.227 1.00 0.28 H new ATOM 0 HB3 MET A 43 -3.999 6.718 0.260 1.00 0.28 H new ATOM 0 HG2 MET A 43 -2.932 5.200 -1.292 1.00 0.39 H new ATOM 0 HG3 MET A 43 -1.858 5.523 0.054 1.00 0.39 H new ATOM 0 HE1 MET A 43 -4.681 1.949 0.082 1.00 0.34 H new ATOM 0 HE2 MET A 43 -4.943 3.551 -0.647 1.00 0.34 H new ATOM 0 HE3 MET A 43 -4.073 2.292 -1.555 1.00 0.34 H new ATOM 632 N VAL A 44 -3.267 7.681 3.032 1.00 0.19 N ATOM 633 CA VAL A 44 -2.421 8.718 3.569 1.00 0.22 C ATOM 634 C VAL A 44 -1.699 8.164 4.809 1.00 0.20 C ATOM 635 O VAL A 44 -0.521 8.408 5.022 1.00 0.35 O ATOM 636 CB VAL A 44 -3.244 9.982 3.950 1.00 0.34 C ATOM 637 CG1 VAL A 44 -2.342 11.118 4.413 1.00 0.45 C ATOM 638 CG2 VAL A 44 -4.121 10.428 2.786 1.00 0.49 C ATOM 0 H VAL A 44 -4.263 7.900 3.052 1.00 0.19 H new ATOM 0 HA VAL A 44 -1.698 9.016 2.810 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.891 9.714 4.785 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -2.951 11.984 4.671 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -1.776 10.799 5.288 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -1.653 11.385 3.612 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -4.687 11.313 3.075 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -3.493 10.664 1.927 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -4.811 9.626 2.522 1.00 0.49 H new ATOM 648 N GLU A 45 -2.421 7.400 5.605 1.00 0.13 N ATOM 649 CA GLU A 45 -1.849 6.750 6.760 1.00 0.14 C ATOM 650 C GLU A 45 -1.193 5.440 6.363 1.00 0.16 C ATOM 651 O GLU A 45 -0.103 5.125 6.835 1.00 0.25 O ATOM 652 CB GLU A 45 -2.916 6.481 7.800 1.00 0.20 C ATOM 653 CG GLU A 45 -3.542 7.716 8.376 1.00 0.31 C ATOM 654 CD GLU A 45 -2.545 8.574 9.091 1.00 1.00 C ATOM 655 OE1 GLU A 45 -1.995 8.141 10.124 1.00 1.07 O ATOM 656 OE2 GLU A 45 -2.297 9.701 8.644 1.00 1.85 O ATOM 0 H GLU A 45 -3.415 7.215 5.468 1.00 0.13 H new ATOM 0 HA GLU A 45 -1.096 7.415 7.182 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.697 5.867 7.352 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.478 5.898 8.610 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -4.008 8.292 7.576 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -4.335 7.431 9.067 1.00 0.31 H new ATOM 663 N VAL A 46 -1.851 4.707 5.455 1.00 0.15 N ATOM 664 CA VAL A 46 -1.403 3.381 5.029 1.00 0.20 C ATOM 665 C VAL A 46 0.032 3.411 4.510 1.00 0.24 C ATOM 666 O VAL A 46 0.854 2.592 4.912 1.00 0.30 O ATOM 667 CB VAL A 46 -2.362 2.715 3.954 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.798 1.400 3.437 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.733 2.429 4.541 1.00 0.22 C ATOM 0 H VAL A 46 -2.708 5.019 4.997 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.440 2.758 5.923 1.00 0.20 H new ATOM 0 HB VAL A 46 -2.444 3.430 3.136 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.482 0.974 2.703 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.830 1.578 2.970 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.678 0.704 4.267 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -4.367 1.973 3.780 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.632 1.747 5.385 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -4.186 3.361 4.879 1.00 0.22 H new ATOM 679 N VAL A 47 0.357 4.384 3.679 1.00 0.30 N ATOM 680 CA VAL A 47 1.659 4.393 3.075 1.00 0.51 C ATOM 681 C VAL A 47 2.689 4.933 4.021 1.00 0.37 C ATOM 682 O VAL A 47 3.774 4.435 4.050 1.00 0.31 O ATOM 683 CB VAL A 47 1.713 5.143 1.741 1.00 0.91 C ATOM 684 CG1 VAL A 47 2.940 4.736 0.974 1.00 1.49 C ATOM 685 CG2 VAL A 47 0.489 4.883 0.923 1.00 0.96 C ATOM 0 H VAL A 47 -0.253 5.158 3.416 1.00 0.30 H new ATOM 0 HA VAL A 47 1.887 3.351 2.852 1.00 0.51 H new ATOM 0 HB VAL A 47 1.756 6.211 1.954 1.00 0.91 H new ATOM 0 HG11 VAL A 47 2.972 5.274 0.026 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.829 4.975 1.557 1.00 1.49 H new ATOM 0 HG13 VAL A 47 2.910 3.663 0.782 1.00 1.49 H new ATOM 0 HG21 VAL A 47 0.557 5.429 -0.018 1.00 0.96 H new ATOM 0 HG22 VAL A 47 0.409 3.816 0.718 1.00 0.96 H new ATOM 0 HG23 VAL A 47 -0.393 5.214 1.472 1.00 0.96 H new ATOM 695 N VAL A 48 2.330 5.902 4.843 1.00 0.39 N ATOM 696 CA VAL A 48 3.280 6.431 5.824 1.00 0.39 C ATOM 697 C VAL A 48 3.638 5.342 6.840 1.00 0.30 C ATOM 698 O VAL A 48 4.774 5.249 7.325 1.00 0.37 O ATOM 699 CB VAL A 48 2.750 7.712 6.526 1.00 0.48 C ATOM 700 CG1 VAL A 48 3.715 8.189 7.597 1.00 0.84 C ATOM 701 CG2 VAL A 48 2.558 8.810 5.504 1.00 0.76 C ATOM 0 H VAL A 48 1.407 6.337 4.858 1.00 0.39 H new ATOM 0 HA VAL A 48 4.184 6.727 5.292 1.00 0.39 H new ATOM 0 HB VAL A 48 1.798 7.470 6.999 1.00 0.48 H new ATOM 0 HG11 VAL A 48 3.318 9.087 8.071 1.00 0.84 H new ATOM 0 HG12 VAL A 48 3.841 7.408 8.347 1.00 0.84 H new ATOM 0 HG13 VAL A 48 4.680 8.415 7.143 1.00 0.84 H new ATOM 0 HG21 VAL A 48 2.186 9.707 5.999 1.00 0.76 H new ATOM 0 HG22 VAL A 48 3.511 9.030 5.023 1.00 0.76 H new ATOM 0 HG23 VAL A 48 1.838 8.486 4.752 1.00 0.76 H new ATOM 711 N ALA A 49 2.683 4.483 7.102 1.00 0.20 N ATOM 712 CA ALA A 49 2.896 3.345 7.960 1.00 0.19 C ATOM 713 C ALA A 49 3.778 2.345 7.215 1.00 0.18 C ATOM 714 O ALA A 49 4.768 1.839 7.749 1.00 0.25 O ATOM 715 CB ALA A 49 1.561 2.723 8.348 1.00 0.22 C ATOM 0 H ALA A 49 1.737 4.554 6.726 1.00 0.20 H new ATOM 0 HA ALA A 49 3.393 3.649 8.881 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.735 1.864 8.996 1.00 0.22 H new ATOM 0 HB2 ALA A 49 0.956 3.460 8.876 1.00 0.22 H new ATOM 0 HB3 ALA A 49 1.036 2.399 7.450 1.00 0.22 H new ATOM 721 N ALA A 50 3.448 2.130 5.942 1.00 0.15 N ATOM 722 CA ALA A 50 4.205 1.256 5.061 1.00 0.18 C ATOM 723 C ALA A 50 5.661 1.721 4.941 1.00 0.18 C ATOM 724 O ALA A 50 6.571 0.908 4.945 1.00 0.20 O ATOM 725 CB ALA A 50 3.563 1.195 3.684 1.00 0.21 C ATOM 0 H ALA A 50 2.640 2.563 5.494 1.00 0.15 H new ATOM 0 HA ALA A 50 4.197 0.257 5.498 1.00 0.18 H new ATOM 0 HB1 ALA A 50 4.145 0.536 3.040 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.547 0.811 3.773 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.536 2.195 3.250 1.00 0.21 H new ATOM 731 N GLU A 51 5.861 3.034 4.862 1.00 0.20 N ATOM 732 CA GLU A 51 7.173 3.646 4.779 1.00 0.23 C ATOM 733 C GLU A 51 8.000 3.204 5.930 1.00 0.24 C ATOM 734 O GLU A 51 9.110 2.726 5.764 1.00 0.29 O ATOM 735 CB GLU A 51 7.078 5.154 4.911 1.00 0.23 C ATOM 736 CG GLU A 51 6.352 5.901 3.823 1.00 0.29 C ATOM 737 CD GLU A 51 6.252 7.383 4.145 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.958 7.874 5.042 1.00 0.59 O ATOM 739 OE2 GLU A 51 5.429 8.078 3.509 1.00 0.73 O ATOM 0 H GLU A 51 5.098 3.710 4.854 1.00 0.20 H new ATOM 0 HA GLU A 51 7.602 3.359 3.819 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.588 5.379 5.858 1.00 0.23 H new ATOM 0 HB3 GLU A 51 8.091 5.551 4.974 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.874 5.767 2.876 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.352 5.485 3.698 1.00 0.29 H new ATOM 746 N GLU A 52 7.394 3.294 7.083 1.00 0.24 N ATOM 747 CA GLU A 52 8.057 3.103 8.332 1.00 0.30 C ATOM 748 C GLU A 52 8.392 1.631 8.498 1.00 0.28 C ATOM 749 O GLU A 52 9.533 1.265 8.756 1.00 0.41 O ATOM 750 CB GLU A 52 7.122 3.583 9.455 1.00 0.41 C ATOM 751 CG GLU A 52 7.797 4.080 10.732 1.00 1.14 C ATOM 752 CD GLU A 52 8.703 3.078 11.390 1.00 1.75 C ATOM 753 OE1 GLU A 52 8.182 2.149 12.073 1.00 2.26 O ATOM 754 OE2 GLU A 52 9.929 3.179 11.241 1.00 2.46 O ATOM 0 H GLU A 52 6.401 3.508 7.175 1.00 0.24 H new ATOM 0 HA GLU A 52 8.985 3.673 8.371 1.00 0.30 H new ATOM 0 HB2 GLU A 52 6.500 4.387 9.062 1.00 0.41 H new ATOM 0 HB3 GLU A 52 6.454 2.763 9.718 1.00 0.41 H new ATOM 0 HG2 GLU A 52 8.375 4.974 10.498 1.00 1.14 H new ATOM 0 HG3 GLU A 52 7.026 4.376 11.444 1.00 1.14 H new ATOM 761 N ARG A 53 7.424 0.795 8.246 1.00 0.21 N ATOM 762 CA ARG A 53 7.581 -0.602 8.498 1.00 0.23 C ATOM 763 C ARG A 53 8.442 -1.274 7.451 1.00 0.23 C ATOM 764 O ARG A 53 9.207 -2.174 7.754 1.00 0.32 O ATOM 765 CB ARG A 53 6.237 -1.291 8.605 1.00 0.25 C ATOM 766 CG ARG A 53 5.387 -1.254 7.361 1.00 0.23 C ATOM 767 CD ARG A 53 4.261 -2.243 7.457 1.00 0.34 C ATOM 768 NE ARG A 53 3.436 -2.060 8.649 1.00 0.86 N ATOM 769 CZ ARG A 53 2.751 -3.039 9.234 1.00 0.84 C ATOM 770 NH1 ARG A 53 2.996 -4.321 8.906 1.00 1.08 N ATOM 771 NH2 ARG A 53 1.866 -2.764 10.183 1.00 1.72 N ATOM 0 H ARG A 53 6.516 1.062 7.865 1.00 0.21 H new ATOM 0 HA ARG A 53 8.095 -0.697 9.455 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.403 -2.333 8.879 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.677 -0.832 9.420 1.00 0.25 H new ATOM 0 HG2 ARG A 53 4.985 -0.251 7.219 1.00 0.23 H new ATOM 0 HG3 ARG A 53 6.001 -1.478 6.489 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.632 -2.156 6.571 1.00 0.34 H new ATOM 0 HD3 ARG A 53 4.672 -3.253 7.458 1.00 0.34 H new ATOM 0 HE ARG A 53 3.382 -1.127 9.057 1.00 0.86 H new ATOM 0 HH11 ARG A 53 3.707 -4.542 8.209 1.00 1.08 H new ATOM 0 HH12 ARG A 53 2.471 -5.072 9.355 1.00 1.08 H new ATOM 0 HH21 ARG A 53 1.708 -1.798 10.468 1.00 1.72 H new ATOM 0 HH22 ARG A 53 1.344 -3.519 10.628 1.00 1.72 H new ATOM 785 N PHE A 54 8.331 -0.826 6.228 1.00 0.17 N ATOM 786 CA PHE A 54 9.080 -1.419 5.162 1.00 0.19 C ATOM 787 C PHE A 54 10.411 -0.730 4.972 1.00 0.20 C ATOM 788 O PHE A 54 11.207 -1.155 4.146 1.00 0.28 O ATOM 789 CB PHE A 54 8.271 -1.469 3.865 1.00 0.19 C ATOM 790 CG PHE A 54 7.052 -2.354 3.947 1.00 0.22 C ATOM 791 CD1 PHE A 54 7.174 -3.710 4.174 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.787 -1.824 3.775 1.00 0.27 C ATOM 793 CE1 PHE A 54 6.063 -4.523 4.224 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.670 -2.632 3.826 1.00 0.32 C ATOM 795 CZ PHE A 54 4.811 -3.976 4.146 1.00 0.34 C ATOM 0 H PHE A 54 7.728 -0.052 5.950 1.00 0.17 H new ATOM 0 HA PHE A 54 9.291 -2.451 5.444 1.00 0.19 H new ATOM 0 HB2 PHE A 54 7.959 -0.458 3.602 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.914 -1.824 3.059 1.00 0.19 H new ATOM 0 HD1 PHE A 54 8.155 -4.140 4.314 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.672 -0.765 3.599 1.00 0.27 H new ATOM 0 HE1 PHE A 54 6.180 -5.592 4.325 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.693 -2.222 3.618 1.00 0.32 H new ATOM 0 HZ PHE A 54 3.939 -4.585 4.332 1.00 0.34 H new ATOM 805 N ASP A 55 10.607 0.384 5.713 1.00 0.19 N ATOM 806 CA ASP A 55 11.890 1.142 5.779 1.00 0.26 C ATOM 807 C ASP A 55 12.192 1.888 4.467 1.00 0.29 C ATOM 808 O ASP A 55 13.090 2.726 4.396 1.00 0.47 O ATOM 809 CB ASP A 55 13.050 0.170 6.148 1.00 0.36 C ATOM 810 CG ASP A 55 14.404 0.823 6.311 1.00 0.93 C ATOM 811 OD1 ASP A 55 15.145 0.976 5.318 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.773 1.165 7.454 1.00 1.06 O ATOM 0 H ASP A 55 9.873 0.792 6.292 1.00 0.19 H new ATOM 0 HA ASP A 55 11.795 1.903 6.554 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.795 -0.340 7.077 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.123 -0.595 5.375 1.00 0.36 H new ATOM 817 N VAL A 56 11.362 1.678 3.483 1.00 0.22 N ATOM 818 CA VAL A 56 11.678 2.105 2.147 1.00 0.29 C ATOM 819 C VAL A 56 11.115 3.485 1.837 1.00 0.25 C ATOM 820 O VAL A 56 11.735 4.261 1.117 1.00 0.34 O ATOM 821 CB VAL A 56 11.235 1.041 1.101 1.00 0.42 C ATOM 822 CG1 VAL A 56 9.734 0.841 1.072 1.00 0.93 C ATOM 823 CG2 VAL A 56 11.772 1.345 -0.271 1.00 1.16 C ATOM 0 H VAL A 56 10.460 1.213 3.581 1.00 0.22 H new ATOM 0 HA VAL A 56 12.762 2.197 2.081 1.00 0.29 H new ATOM 0 HB VAL A 56 11.673 0.097 1.426 1.00 0.42 H new ATOM 0 HG11 VAL A 56 9.482 0.088 0.325 1.00 0.93 H new ATOM 0 HG12 VAL A 56 9.392 0.508 2.052 1.00 0.93 H new ATOM 0 HG13 VAL A 56 9.246 1.782 0.818 1.00 0.93 H new ATOM 0 HG21 VAL A 56 11.439 0.578 -0.970 1.00 1.16 H new ATOM 0 HG22 VAL A 56 11.405 2.318 -0.598 1.00 1.16 H new ATOM 0 HG23 VAL A 56 12.861 1.360 -0.240 1.00 1.16 H new ATOM 833 N LYS A 57 9.966 3.781 2.427 1.00 0.20 N ATOM 834 CA LYS A 57 9.272 5.069 2.275 1.00 0.23 C ATOM 835 C LYS A 57 8.736 5.370 0.855 1.00 0.22 C ATOM 836 O LYS A 57 9.488 5.629 -0.081 1.00 0.31 O ATOM 837 CB LYS A 57 10.106 6.247 2.825 1.00 0.33 C ATOM 838 CG LYS A 57 9.453 7.608 2.612 1.00 0.72 C ATOM 839 CD LYS A 57 10.196 8.762 3.280 1.00 1.20 C ATOM 840 CE LYS A 57 10.107 8.733 4.811 1.00 1.08 C ATOM 841 NZ LYS A 57 10.968 7.706 5.450 1.00 1.48 N ATOM 0 H LYS A 57 9.475 3.128 3.037 1.00 0.20 H new ATOM 0 HA LYS A 57 8.379 4.960 2.890 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.273 6.096 3.892 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.085 6.244 2.345 1.00 0.33 H new ATOM 0 HG2 LYS A 57 9.385 7.804 1.542 1.00 0.72 H new ATOM 0 HG3 LYS A 57 8.433 7.575 2.996 1.00 0.72 H new ATOM 0 HD2 LYS A 57 11.244 8.731 2.983 1.00 1.20 H new ATOM 0 HD3 LYS A 57 9.790 9.706 2.917 1.00 1.20 H new ATOM 0 HE2 LYS A 57 10.382 9.714 5.199 1.00 1.08 H new ATOM 0 HE3 LYS A 57 9.071 8.554 5.101 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 11.476 8.130 6.252 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 10.377 6.920 5.790 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 11.654 7.348 4.756 1.00 1.48 H new ATOM 855 N ILE A 58 7.431 5.325 0.719 1.00 0.18 N ATOM 856 CA ILE A 58 6.762 5.733 -0.495 1.00 0.20 C ATOM 857 C ILE A 58 5.914 6.900 -0.093 1.00 0.22 C ATOM 858 O ILE A 58 5.078 6.753 0.766 1.00 0.34 O ATOM 859 CB ILE A 58 5.784 4.644 -1.125 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.424 3.253 -1.183 1.00 0.25 C ATOM 861 CG2 ILE A 58 5.306 5.076 -2.521 1.00 0.28 C ATOM 862 CD1 ILE A 58 6.458 2.529 0.153 1.00 0.52 C ATOM 0 H ILE A 58 6.799 5.002 1.452 1.00 0.18 H new ATOM 0 HA ILE A 58 7.522 5.931 -1.251 1.00 0.20 H new ATOM 0 HB ILE A 58 4.920 4.576 -0.465 1.00 0.22 H new ATOM 0 HG12 ILE A 58 5.876 2.643 -1.901 1.00 0.25 H new ATOM 0 HG13 ILE A 58 7.443 3.349 -1.558 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.640 4.316 -2.929 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.772 6.023 -2.446 1.00 0.28 H new ATOM 0 HG23 ILE A 58 6.166 5.196 -3.179 1.00 0.28 H new ATOM 0 HD11 ILE A 58 6.926 1.553 0.026 1.00 0.52 H new ATOM 0 HD12 ILE A 58 7.032 3.116 0.870 1.00 0.52 H new ATOM 0 HD13 ILE A 58 5.441 2.398 0.522 1.00 0.52 H new ATOM 874 N PRO A 59 6.155 8.076 -0.607 1.00 0.23 N ATOM 875 CA PRO A 59 5.283 9.198 -0.324 1.00 0.25 C ATOM 876 C PRO A 59 3.923 8.922 -0.959 1.00 0.19 C ATOM 877 O PRO A 59 3.871 8.326 -2.029 1.00 0.19 O ATOM 878 CB PRO A 59 5.971 10.373 -1.037 1.00 0.34 C ATOM 879 CG PRO A 59 7.369 9.914 -1.281 1.00 0.41 C ATOM 880 CD PRO A 59 7.285 8.436 -1.467 1.00 0.34 C ATOM 0 HA PRO A 59 5.127 9.386 0.738 1.00 0.25 H new ATOM 0 HB2 PRO A 59 5.467 10.616 -1.972 1.00 0.34 H new ATOM 0 HB3 PRO A 59 5.953 11.273 -0.422 1.00 0.34 H new ATOM 0 HG2 PRO A 59 7.790 10.396 -2.163 1.00 0.41 H new ATOM 0 HG3 PRO A 59 8.016 10.166 -0.441 1.00 0.41 H new ATOM 0 HD2 PRO A 59 7.106 8.167 -2.508 1.00 0.34 H new ATOM 0 HD3 PRO A 59 8.204 7.935 -1.162 1.00 0.34 H new ATOM 888 N ASP A 60 2.831 9.301 -0.310 1.00 0.21 N ATOM 889 CA ASP A 60 1.480 9.122 -0.892 1.00 0.26 C ATOM 890 C ASP A 60 1.383 9.781 -2.293 1.00 0.25 C ATOM 891 O ASP A 60 0.652 9.323 -3.154 1.00 0.35 O ATOM 892 CB ASP A 60 0.353 9.634 0.046 1.00 0.36 C ATOM 893 CG ASP A 60 0.355 11.135 0.226 1.00 0.65 C ATOM 894 OD1 ASP A 60 1.159 11.650 1.022 1.00 0.88 O ATOM 895 OD2 ASP A 60 -0.446 11.832 -0.429 1.00 0.95 O ATOM 0 H ASP A 60 2.838 9.733 0.614 1.00 0.21 H new ATOM 0 HA ASP A 60 1.329 8.049 -1.007 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.612 9.325 -0.356 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.459 9.159 1.021 1.00 0.36 H new ATOM 900 N ASP A 61 2.194 10.797 -2.532 1.00 0.22 N ATOM 901 CA ASP A 61 2.243 11.448 -3.847 1.00 0.26 C ATOM 902 C ASP A 61 2.938 10.552 -4.867 1.00 0.27 C ATOM 903 O ASP A 61 2.743 10.690 -6.059 1.00 0.33 O ATOM 904 CB ASP A 61 2.924 12.825 -3.797 1.00 0.36 C ATOM 905 CG ASP A 61 2.106 13.892 -3.102 1.00 0.75 C ATOM 906 OD1 ASP A 61 1.256 14.537 -3.751 1.00 0.81 O ATOM 907 OD2 ASP A 61 2.272 14.098 -1.879 1.00 1.16 O ATOM 0 H ASP A 61 2.829 11.194 -1.840 1.00 0.22 H new ATOM 0 HA ASP A 61 1.210 11.609 -4.157 1.00 0.26 H new ATOM 0 HB2 ASP A 61 3.882 12.727 -3.287 1.00 0.36 H new ATOM 0 HB3 ASP A 61 3.137 13.151 -4.815 1.00 0.36 H new ATOM 912 N ASP A 62 3.774 9.660 -4.396 1.00 0.25 N ATOM 913 CA ASP A 62 4.418 8.667 -5.278 1.00 0.28 C ATOM 914 C ASP A 62 3.542 7.455 -5.380 1.00 0.26 C ATOM 915 O ASP A 62 3.445 6.829 -6.417 1.00 0.36 O ATOM 916 CB ASP A 62 5.817 8.245 -4.826 1.00 0.33 C ATOM 917 CG ASP A 62 6.466 7.274 -5.810 1.00 0.89 C ATOM 918 OD1 ASP A 62 6.532 7.588 -7.007 1.00 1.58 O ATOM 919 OD2 ASP A 62 6.869 6.166 -5.413 1.00 1.58 O ATOM 0 H ASP A 62 4.036 9.586 -3.413 1.00 0.25 H new ATOM 0 HA ASP A 62 4.543 9.151 -6.247 1.00 0.28 H new ATOM 0 HB2 ASP A 62 6.446 9.129 -4.720 1.00 0.33 H new ATOM 0 HB3 ASP A 62 5.755 7.778 -3.843 1.00 0.33 H new ATOM 924 N VAL A 63 2.862 7.158 -4.278 1.00 0.21 N ATOM 925 CA VAL A 63 1.975 6.011 -4.146 1.00 0.25 C ATOM 926 C VAL A 63 0.874 5.999 -5.196 1.00 0.24 C ATOM 927 O VAL A 63 0.277 4.979 -5.466 1.00 0.26 O ATOM 928 CB VAL A 63 1.438 5.799 -2.702 1.00 0.40 C ATOM 929 CG1 VAL A 63 0.042 6.390 -2.448 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.513 4.349 -2.349 1.00 0.73 C ATOM 0 H VAL A 63 2.915 7.724 -3.431 1.00 0.21 H new ATOM 0 HA VAL A 63 2.598 5.139 -4.346 1.00 0.25 H new ATOM 0 HB VAL A 63 2.086 6.368 -2.035 1.00 0.40 H new ATOM 0 HG11 VAL A 63 -0.253 6.196 -1.417 1.00 0.51 H new ATOM 0 HG12 VAL A 63 0.065 7.466 -2.623 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.677 5.928 -3.124 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.137 4.201 -1.337 1.00 0.73 H new ATOM 0 HG22 VAL A 63 0.908 3.772 -3.049 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.549 4.014 -2.403 1.00 0.73 H new ATOM 940 N LYS A 64 0.605 7.168 -5.765 1.00 0.29 N ATOM 941 CA LYS A 64 -0.312 7.296 -6.889 1.00 0.37 C ATOM 942 C LYS A 64 0.111 6.388 -8.041 1.00 0.34 C ATOM 943 O LYS A 64 -0.719 5.855 -8.765 1.00 0.42 O ATOM 944 CB LYS A 64 -0.405 8.742 -7.397 1.00 0.51 C ATOM 945 CG LYS A 64 0.872 9.310 -7.985 1.00 0.58 C ATOM 946 CD LYS A 64 0.657 10.708 -8.550 1.00 0.72 C ATOM 947 CE LYS A 64 0.143 11.693 -7.495 1.00 0.61 C ATOM 948 NZ LYS A 64 -0.056 13.048 -8.043 1.00 0.87 N ATOM 0 H LYS A 64 1.015 8.051 -5.461 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.294 6.995 -6.525 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.187 8.793 -8.154 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -0.719 9.380 -6.571 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.644 9.343 -7.216 1.00 0.58 H new ATOM 0 HG3 LYS A 64 1.235 8.650 -8.773 1.00 0.58 H new ATOM 0 HD2 LYS A 64 1.596 11.078 -8.962 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -0.055 10.658 -9.374 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -0.799 11.326 -7.088 1.00 0.61 H new ATOM 0 HE3 LYS A 64 0.852 11.739 -6.668 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 -0.404 13.678 -7.293 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 0.848 13.411 -8.408 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -0.752 13.012 -8.815 1.00 0.87 H new ATOM 962 N ASN A 65 1.406 6.189 -8.161 1.00 0.30 N ATOM 963 CA ASN A 65 1.978 5.366 -9.202 1.00 0.36 C ATOM 964 C ASN A 65 1.787 3.913 -8.862 1.00 0.34 C ATOM 965 O ASN A 65 2.047 3.049 -9.674 1.00 0.56 O ATOM 966 CB ASN A 65 3.484 5.632 -9.371 1.00 0.49 C ATOM 967 CG ASN A 65 3.841 7.040 -9.806 1.00 0.64 C ATOM 968 OD1 ASN A 65 3.887 7.334 -10.991 1.00 1.09 O ATOM 969 ND2 ASN A 65 4.182 7.881 -8.871 1.00 0.67 N ATOM 0 H ASN A 65 2.097 6.598 -7.532 1.00 0.30 H new ATOM 0 HA ASN A 65 1.470 5.615 -10.134 1.00 0.36 H new ATOM 0 HB2 ASN A 65 3.983 5.423 -8.425 1.00 0.49 H new ATOM 0 HB3 ASN A 65 3.882 4.930 -10.104 1.00 0.49 H new ATOM 0 HD21 ASN A 65 4.499 8.818 -9.119 1.00 0.67 H new ATOM 0 HD22 ASN A 65 4.131 7.602 -7.891 1.00 0.67 H new ATOM 976 N LEU A 66 1.289 3.660 -7.671 1.00 0.22 N ATOM 977 CA LEU A 66 1.134 2.327 -7.167 1.00 0.23 C ATOM 978 C LEU A 66 -0.323 2.024 -6.967 1.00 0.37 C ATOM 979 O LEU A 66 -0.688 1.399 -6.008 1.00 0.89 O ATOM 980 CB LEU A 66 1.853 2.181 -5.844 1.00 0.25 C ATOM 981 CG LEU A 66 3.318 2.602 -5.822 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.886 2.503 -4.428 1.00 0.41 C ATOM 983 CD2 LEU A 66 4.140 1.782 -6.781 1.00 0.31 C ATOM 0 H LEU A 66 0.980 4.386 -7.025 1.00 0.22 H new ATOM 0 HA LEU A 66 1.560 1.631 -7.890 1.00 0.23 H new ATOM 0 HB2 LEU A 66 1.317 2.767 -5.097 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.792 1.138 -5.535 1.00 0.25 H new ATOM 0 HG LEU A 66 3.363 3.643 -6.142 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.932 2.809 -4.439 1.00 0.41 H new ATOM 0 HD12 LEU A 66 3.324 3.155 -3.759 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.812 1.474 -4.077 1.00 0.41 H new ATOM 0 HD21 LEU A 66 5.179 2.108 -6.740 1.00 0.31 H new ATOM 0 HD22 LEU A 66 4.079 0.729 -6.505 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.758 1.914 -7.793 1.00 0.31 H new ATOM 995 N LYS A 67 -1.129 2.501 -7.892 1.00 0.26 N ATOM 996 CA LYS A 67 -2.587 2.231 -7.993 1.00 0.30 C ATOM 997 C LYS A 67 -3.049 0.786 -7.572 1.00 0.36 C ATOM 998 O LYS A 67 -4.220 0.592 -7.229 1.00 0.72 O ATOM 999 CB LYS A 67 -3.034 2.507 -9.426 1.00 0.45 C ATOM 1000 CG LYS A 67 -2.172 1.786 -10.459 1.00 1.06 C ATOM 1001 CD LYS A 67 -2.652 1.997 -11.888 1.00 1.55 C ATOM 1002 CE LYS A 67 -2.635 3.466 -12.276 1.00 1.97 C ATOM 1003 NZ LYS A 67 -2.902 3.664 -13.711 1.00 2.81 N ATOM 0 H LYS A 67 -0.793 3.115 -8.634 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.060 2.896 -7.270 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -4.072 2.197 -9.545 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -2.998 3.580 -9.614 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -1.143 2.135 -10.372 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -2.166 0.719 -10.238 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -2.018 1.433 -12.572 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -3.663 1.604 -11.994 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -3.382 4.003 -11.691 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -1.665 3.895 -12.026 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -2.881 4.680 -13.931 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -2.175 3.173 -14.270 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -3.839 3.278 -13.946 1.00 2.81 H new ATOM 1017 N THR A 68 -2.183 -0.213 -7.636 1.00 0.21 N ATOM 1018 CA THR A 68 -2.564 -1.518 -7.169 1.00 0.19 C ATOM 1019 C THR A 68 -1.708 -1.971 -6.013 1.00 0.18 C ATOM 1020 O THR A 68 -0.638 -1.407 -5.751 1.00 0.25 O ATOM 1021 CB THR A 68 -2.553 -2.606 -8.251 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.263 -2.699 -8.872 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.600 -2.356 -9.286 1.00 0.22 C ATOM 0 H THR A 68 -1.233 -0.140 -8.000 1.00 0.21 H new ATOM 0 HA THR A 68 -3.597 -1.393 -6.845 1.00 0.19 H new ATOM 0 HB THR A 68 -2.776 -3.553 -7.760 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.279 -3.400 -9.557 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.565 -3.145 -10.037 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.583 -2.347 -8.815 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.418 -1.393 -9.763 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.139 -3.030 -5.359 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.382 -3.593 -4.265 1.00 0.14 C ATOM 1033 C VAL A 69 -0.029 -4.089 -4.774 1.00 0.16 C ATOM 1034 O VAL A 69 1.016 -3.784 -4.207 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.114 -4.774 -3.632 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.347 -5.231 -2.428 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.535 -4.413 -3.248 1.00 0.15 C ATOM 0 H VAL A 69 -3.011 -3.517 -5.568 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.251 -2.810 -3.518 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.175 -5.580 -4.364 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.861 -6.075 -1.968 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.345 -5.537 -2.729 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.276 -4.414 -1.710 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -4.022 -5.279 -2.801 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.521 -3.594 -2.529 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.085 -4.106 -4.137 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.071 -4.836 -5.851 1.00 0.17 N ATOM 1048 CA GLY A 70 1.112 -5.410 -6.436 1.00 0.20 C ATOM 1049 C GLY A 70 2.012 -4.378 -7.034 1.00 0.16 C ATOM 1050 O GLY A 70 3.191 -4.617 -7.193 1.00 0.17 O ATOM 0 H GLY A 70 -0.933 -5.063 -6.347 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.658 -5.966 -5.673 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.823 -6.125 -7.206 1.00 0.20 H new ATOM 1054 N ASP A 71 1.456 -3.223 -7.353 1.00 0.15 N ATOM 1055 CA ASP A 71 2.241 -2.131 -7.903 1.00 0.16 C ATOM 1056 C ASP A 71 3.109 -1.595 -6.797 1.00 0.14 C ATOM 1057 O ASP A 71 4.323 -1.442 -6.949 1.00 0.15 O ATOM 1058 CB ASP A 71 1.349 -1.010 -8.366 1.00 0.21 C ATOM 1059 CG ASP A 71 1.960 -0.210 -9.490 1.00 0.31 C ATOM 1060 OD1 ASP A 71 3.136 0.185 -9.405 1.00 0.46 O ATOM 1061 OD2 ASP A 71 1.264 0.012 -10.505 1.00 0.62 O ATOM 0 H ASP A 71 0.463 -3.016 -7.241 1.00 0.15 H new ATOM 0 HA ASP A 71 2.824 -2.497 -8.748 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.395 -1.422 -8.695 1.00 0.21 H new ATOM 0 HB3 ASP A 71 1.138 -0.348 -7.526 1.00 0.21 H new ATOM 1066 N ALA A 72 2.463 -1.342 -5.648 1.00 0.15 N ATOM 1067 CA ALA A 72 3.148 -0.895 -4.440 1.00 0.16 C ATOM 1068 C ALA A 72 4.191 -1.878 -4.091 1.00 0.15 C ATOM 1069 O ALA A 72 5.354 -1.545 -3.973 1.00 0.17 O ATOM 1070 CB ALA A 72 2.175 -0.828 -3.310 1.00 0.21 C ATOM 0 H ALA A 72 1.454 -1.443 -5.537 1.00 0.15 H new ATOM 0 HA ALA A 72 3.587 0.087 -4.615 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.688 -0.494 -2.408 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.379 -0.125 -3.556 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.747 -1.816 -3.139 1.00 0.21 H new ATOM 1076 N THR A 73 3.767 -3.103 -4.002 1.00 0.14 N ATOM 1077 CA THR A 73 4.598 -4.209 -3.666 1.00 0.16 C ATOM 1078 C THR A 73 5.781 -4.358 -4.653 1.00 0.18 C ATOM 1079 O THR A 73 6.858 -4.769 -4.265 1.00 0.28 O ATOM 1080 CB THR A 73 3.736 -5.481 -3.636 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.653 -5.278 -2.719 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.529 -6.661 -3.183 1.00 0.19 C ATOM 0 H THR A 73 2.795 -3.364 -4.169 1.00 0.14 H new ATOM 0 HA THR A 73 5.036 -4.040 -2.682 1.00 0.16 H new ATOM 0 HB THR A 73 3.369 -5.676 -4.644 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.897 -4.869 -3.190 1.00 0.19 H new ATOM 0 HG21 THR A 73 3.892 -7.545 -3.172 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.363 -6.823 -3.866 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.913 -6.478 -2.179 1.00 0.19 H new ATOM 1090 N LYS A 74 5.589 -3.928 -5.889 1.00 0.15 N ATOM 1091 CA LYS A 74 6.606 -4.039 -6.909 1.00 0.18 C ATOM 1092 C LYS A 74 7.715 -3.060 -6.568 1.00 0.18 C ATOM 1093 O LYS A 74 8.888 -3.409 -6.560 1.00 0.26 O ATOM 1094 CB LYS A 74 6.023 -3.672 -8.276 1.00 0.23 C ATOM 1095 CG LYS A 74 6.661 -4.379 -9.460 1.00 0.39 C ATOM 1096 CD LYS A 74 6.187 -5.820 -9.554 1.00 1.21 C ATOM 1097 CE LYS A 74 4.684 -5.868 -9.800 1.00 1.65 C ATOM 1098 NZ LYS A 74 4.161 -7.237 -9.929 1.00 2.01 N ATOM 0 H LYS A 74 4.723 -3.493 -6.208 1.00 0.15 H new ATOM 0 HA LYS A 74 6.983 -5.061 -6.949 1.00 0.18 H new ATOM 0 HB2 LYS A 74 4.956 -3.896 -8.271 1.00 0.23 H new ATOM 0 HB3 LYS A 74 6.122 -2.596 -8.419 1.00 0.23 H new ATOM 0 HG2 LYS A 74 6.413 -3.850 -10.380 1.00 0.39 H new ATOM 0 HG3 LYS A 74 7.746 -4.355 -9.361 1.00 0.39 H new ATOM 0 HD2 LYS A 74 6.711 -6.330 -10.362 1.00 1.21 H new ATOM 0 HD3 LYS A 74 6.429 -6.350 -8.633 1.00 1.21 H new ATOM 0 HE2 LYS A 74 4.172 -5.366 -8.979 1.00 1.65 H new ATOM 0 HE3 LYS A 74 4.453 -5.311 -10.708 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 3.135 -7.202 -10.095 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 4.625 -7.712 -10.729 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 4.353 -7.766 -9.054 1.00 2.01 H new ATOM 1112 N TYR A 75 7.311 -1.843 -6.237 1.00 0.15 N ATOM 1113 CA TYR A 75 8.217 -0.793 -5.886 1.00 0.16 C ATOM 1114 C TYR A 75 8.868 -1.077 -4.528 1.00 0.16 C ATOM 1115 O TYR A 75 10.087 -0.969 -4.371 1.00 0.18 O ATOM 1116 CB TYR A 75 7.443 0.537 -5.861 1.00 0.22 C ATOM 1117 CG TYR A 75 8.249 1.714 -5.393 1.00 0.26 C ATOM 1118 CD1 TYR A 75 9.384 2.123 -6.076 1.00 0.49 C ATOM 1119 CD2 TYR A 75 7.854 2.436 -4.293 1.00 0.32 C ATOM 1120 CE1 TYR A 75 10.094 3.222 -5.664 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.560 3.529 -3.870 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.779 3.836 -4.506 1.00 0.44 C ATOM 1123 OH TYR A 75 10.388 5.035 -4.141 1.00 0.50 O ATOM 0 H TYR A 75 6.329 -1.567 -6.208 1.00 0.15 H new ATOM 0 HA TYR A 75 9.016 -0.731 -6.624 1.00 0.16 H new ATOM 0 HB2 TYR A 75 7.068 0.744 -6.863 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.574 0.426 -5.212 1.00 0.22 H new ATOM 0 HD1 TYR A 75 9.713 1.570 -6.943 1.00 0.49 H new ATOM 0 HD2 TYR A 75 6.969 2.135 -3.752 1.00 0.32 H new ATOM 0 HE1 TYR A 75 10.907 3.596 -6.269 1.00 0.56 H new ATOM 0 HE2 TYR A 75 8.190 4.145 -3.064 1.00 0.37 H new ATOM 0 HH TYR A 75 10.036 5.331 -3.276 1.00 0.50 H new ATOM 1133 N ILE A 76 8.051 -1.466 -3.579 1.00 0.16 N ATOM 1134 CA ILE A 76 8.476 -1.722 -2.219 1.00 0.18 C ATOM 1135 C ILE A 76 9.438 -2.925 -2.135 1.00 0.21 C ATOM 1136 O ILE A 76 10.484 -2.823 -1.521 1.00 0.32 O ATOM 1137 CB ILE A 76 7.244 -1.921 -1.280 1.00 0.18 C ATOM 1138 CG1 ILE A 76 6.383 -0.653 -1.298 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.682 -2.237 0.150 1.00 0.28 C ATOM 1140 CD1 ILE A 76 5.094 -0.745 -0.510 1.00 0.21 C ATOM 0 H ILE A 76 7.054 -1.617 -3.730 1.00 0.16 H new ATOM 0 HA ILE A 76 9.027 -0.845 -1.878 1.00 0.18 H new ATOM 0 HB ILE A 76 6.663 -2.768 -1.645 1.00 0.18 H new ATOM 0 HG12 ILE A 76 6.973 0.175 -0.905 1.00 0.20 H new ATOM 0 HG13 ILE A 76 6.142 -0.410 -2.333 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.802 -2.370 0.779 1.00 0.28 H new ATOM 0 HG22 ILE A 76 8.274 -3.152 0.155 1.00 0.28 H new ATOM 0 HG23 ILE A 76 8.283 -1.414 0.537 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.555 0.200 -0.583 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.477 -1.547 -0.914 1.00 0.21 H new ATOM 0 HD13 ILE A 76 5.321 -0.954 0.536 1.00 0.21 H new ATOM 1152 N LEU A 77 9.084 -4.048 -2.765 1.00 0.19 N ATOM 1153 CA LEU A 77 9.908 -5.262 -2.706 1.00 0.23 C ATOM 1154 C LEU A 77 11.250 -5.042 -3.418 1.00 0.29 C ATOM 1155 O LEU A 77 12.302 -5.431 -2.920 1.00 0.34 O ATOM 1156 CB LEU A 77 9.190 -6.451 -3.366 1.00 0.23 C ATOM 1157 CG LEU A 77 9.971 -7.769 -3.430 1.00 0.34 C ATOM 1158 CD1 LEU A 77 10.303 -8.275 -2.046 1.00 0.92 C ATOM 1159 CD2 LEU A 77 9.193 -8.811 -4.206 1.00 0.87 C ATOM 0 H LEU A 77 8.234 -4.144 -3.321 1.00 0.19 H new ATOM 0 HA LEU A 77 10.082 -5.484 -1.653 1.00 0.23 H new ATOM 0 HB2 LEU A 77 8.260 -6.631 -2.826 1.00 0.23 H new ATOM 0 HB3 LEU A 77 8.919 -6.165 -4.382 1.00 0.23 H new ATOM 0 HG LEU A 77 10.909 -7.578 -3.950 1.00 0.34 H new ATOM 0 HD11 LEU A 77 10.857 -9.211 -2.124 1.00 0.92 H new ATOM 0 HD12 LEU A 77 10.911 -7.536 -1.525 1.00 0.92 H new ATOM 0 HD13 LEU A 77 9.381 -8.444 -1.490 1.00 0.92 H new ATOM 0 HD21 LEU A 77 9.763 -9.739 -4.241 1.00 0.87 H new ATOM 0 HD22 LEU A 77 8.236 -8.991 -3.716 1.00 0.87 H new ATOM 0 HD23 LEU A 77 9.019 -8.454 -5.221 1.00 0.87 H new ATOM 1171 N ASP A 78 11.194 -4.393 -4.574 1.00 0.33 N ATOM 1172 CA ASP A 78 12.395 -4.112 -5.398 1.00 0.41 C ATOM 1173 C ASP A 78 13.364 -3.221 -4.637 1.00 0.45 C ATOM 1174 O ASP A 78 14.579 -3.356 -4.729 1.00 0.53 O ATOM 1175 CB ASP A 78 11.969 -3.413 -6.699 1.00 0.43 C ATOM 1176 CG ASP A 78 13.110 -3.114 -7.650 1.00 0.52 C ATOM 1177 OD1 ASP A 78 13.428 -3.974 -8.500 1.00 0.68 O ATOM 1178 OD2 ASP A 78 13.661 -2.002 -7.610 1.00 0.54 O ATOM 0 H ASP A 78 10.326 -4.042 -4.978 1.00 0.33 H new ATOM 0 HA ASP A 78 12.892 -5.054 -5.630 1.00 0.41 H new ATOM 0 HB2 ASP A 78 11.239 -4.039 -7.212 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.467 -2.479 -6.448 1.00 0.43 H new ATOM 1183 N HIS A 79 12.801 -2.357 -3.839 1.00 0.41 N ATOM 1184 CA HIS A 79 13.550 -1.383 -3.076 1.00 0.47 C ATOM 1185 C HIS A 79 13.800 -1.806 -1.638 1.00 0.52 C ATOM 1186 O HIS A 79 14.290 -1.007 -0.851 1.00 0.74 O ATOM 1187 CB HIS A 79 12.889 -0.013 -3.134 1.00 0.47 C ATOM 1188 CG HIS A 79 13.134 0.733 -4.400 1.00 0.52 C ATOM 1189 ND1 HIS A 79 13.796 1.933 -4.442 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.792 0.451 -5.673 1.00 0.53 C ATOM 1191 CE1 HIS A 79 13.855 2.353 -5.688 1.00 0.79 C ATOM 1192 NE2 HIS A 79 13.252 1.470 -6.456 1.00 0.67 N ATOM 0 H HIS A 79 11.793 -2.304 -3.694 1.00 0.41 H new ATOM 0 HA HIS A 79 14.530 -1.319 -3.549 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.814 -0.135 -3.000 1.00 0.47 H new ATOM 0 HB3 HIS A 79 13.248 0.586 -2.297 1.00 0.47 H new ATOM 0 HD2 HIS A 79 12.253 -0.421 -6.011 1.00 0.53 H new ATOM 0 HE1 HIS A 79 14.320 3.268 -6.024 1.00 0.79 H new ATOM 0 HE2 HIS A 79 13.146 1.536 -7.468 1.00 0.67 H new ATOM 1201 N GLN A 80 13.424 -3.039 -1.293 1.00 0.47 N ATOM 1202 CA GLN A 80 13.620 -3.584 0.067 1.00 0.52 C ATOM 1203 C GLN A 80 15.039 -3.361 0.580 1.00 0.62 C ATOM 1204 O GLN A 80 16.014 -3.746 -0.089 1.00 0.89 O ATOM 1205 CB GLN A 80 13.316 -5.085 0.116 1.00 0.64 C ATOM 1206 CG GLN A 80 11.856 -5.458 0.160 1.00 0.53 C ATOM 1207 CD GLN A 80 11.157 -4.992 1.407 1.00 0.58 C ATOM 1208 OE1 GLN A 80 11.739 -4.886 2.478 1.00 1.07 O ATOM 1209 NE2 GLN A 80 9.902 -4.764 1.291 1.00 0.53 N ATOM 0 H GLN A 80 12.977 -3.690 -1.938 1.00 0.47 H new ATOM 0 HA GLN A 80 12.923 -3.044 0.708 1.00 0.52 H new ATOM 0 HB2 GLN A 80 13.766 -5.556 -0.758 1.00 0.64 H new ATOM 0 HB3 GLN A 80 13.806 -5.507 0.993 1.00 0.64 H new ATOM 0 HG2 GLN A 80 11.354 -5.033 -0.709 1.00 0.53 H new ATOM 0 HG3 GLN A 80 11.763 -6.541 0.084 1.00 0.53 H new ATOM 0 HE21 GLN A 80 9.448 -4.862 0.383 1.00 0.53 H new ATOM 0 HE22 GLN A 80 9.357 -4.485 2.107 1.00 0.53 H new ATOM 1218 N ALA A 81 15.122 -2.738 1.755 1.00 0.73 N ATOM 1219 CA ALA A 81 16.370 -2.436 2.446 1.00 0.89 C ATOM 1220 C ALA A 81 17.222 -1.453 1.658 1.00 1.93 C ATOM 1221 O ALA A 81 18.033 -1.869 0.803 1.00 2.48 O ATOM 1222 CB ALA A 81 17.139 -3.700 2.817 1.00 1.57 C ATOM 1223 OXT ALA A 81 17.068 -0.234 1.884 1.00 2.75 O ATOM 0 H ALA A 81 14.298 -2.421 2.265 1.00 0.73 H new ATOM 0 HA ALA A 81 16.109 -1.948 3.385 1.00 0.89 H new ATOM 0 HB1 ALA A 81 18.062 -3.427 3.330 1.00 1.57 H new ATOM 0 HB2 ALA A 81 16.528 -4.318 3.474 1.00 1.57 H new ATOM 0 HB3 ALA A 81 17.378 -4.259 1.912 1.00 1.57 H new TER 1229 ALA A 81 HETATM 1230 P24 SXH A 101 -8.532 10.048 -1.853 1.00 0.86 P HETATM 1231 O26 SXH A 101 -8.636 10.352 -0.428 1.00 1.13 O HETATM 1232 O23 SXH A 101 -9.544 10.640 -2.764 1.00 1.10 O HETATM 1233 O27 SXH A 101 -7.109 10.621 -2.379 1.00 0.87 O HETATM 1234 C28 SXH A 101 -5.824 10.161 -1.790 1.00 0.52 C HETATM 1235 C29 SXH A 101 -4.778 11.267 -1.646 1.00 0.73 C HETATM 1236 C30 SXH A 101 -4.693 12.031 -2.947 1.00 1.22 C HETATM 1237 C31 SXH A 101 -5.209 12.215 -0.529 1.00 1.14 C HETATM 1238 C32 SXH A 101 -3.370 10.602 -1.239 1.00 1.23 C HETATM 1239 O33 SXH A 101 -3.497 9.935 -0.022 1.00 1.96 O HETATM 1240 C34 SXH A 101 -3.004 9.522 -2.228 1.00 1.30 C HETATM 1241 O35 SXH A 101 -3.200 8.325 -1.939 1.00 2.26 O HETATM 1242 N36 SXH A 101 -2.512 9.911 -3.343 1.00 0.83 N HETATM 1243 C37 SXH A 101 -2.131 9.053 -4.419 1.00 1.02 C HETATM 1244 C38 SXH A 101 -3.179 9.121 -5.508 1.00 1.13 C HETATM 1245 C39 SXH A 101 -4.252 8.052 -5.466 1.00 0.88 C HETATM 1246 O40 SXH A 101 -5.123 7.993 -6.351 1.00 1.41 O HETATM 1247 N41 SXH A 101 -4.160 7.195 -4.489 1.00 0.55 N HETATM 1248 C42 SXH A 101 -5.049 6.113 -4.308 1.00 0.93 C HETATM 1249 C43 SXH A 101 -4.362 4.960 -3.645 1.00 0.65 C HETATM 1250 S1 SXH A 101 -2.787 4.756 -4.291 1.00 1.15 S HETATM 1251 C1 SXH A 101 -2.625 3.092 -3.891 1.00 0.81 C HETATM 1252 O1 SXH A 101 -3.525 2.254 -4.091 1.00 1.38 O HETATM 1253 C2 SXH A 101 -1.301 2.710 -3.271 1.00 0.61 C HETATM 1254 C3 SXH A 101 -1.310 1.321 -2.703 1.00 0.46 C HETATM 1255 C4 SXH A 101 -0.055 0.976 -1.933 1.00 0.62 C HETATM 1256 C5 SXH A 101 0.078 1.724 -0.633 1.00 0.60 C HETATM 1257 C6 SXH A 101 1.382 1.359 0.029 1.00 0.67 C HETATM 0 HO33 SXH A 101 -3.573 8.971 -0.183 1.00 1.96 H new HETATM 0 HN41 SXH A 101 -3.402 7.312 -3.816 1.00 0.55 H new HETATM 0 HN36 SXH A 101 -2.381 10.914 -3.474 1.00 0.83 H new HETATM 0 H43A SXH A 101 -4.302 5.132 -2.570 1.00 0.65 H new HETATM 0 H42A SXH A 101 -5.898 6.432 -3.703 1.00 0.93 H new HETATM 0 H38A SXH A 101 -3.664 10.096 -5.458 1.00 1.13 H new HETATM 0 H37A SXH A 101 -1.160 9.354 -4.813 1.00 1.02 H new HETATM 0 H31B SXH A 101 -6.176 12.653 -0.777 1.00 1.14 H new HETATM 0 H31A SXH A 101 -5.290 11.662 0.407 1.00 1.14 H new HETATM 0 H30B SXH A 101 -4.404 11.352 -3.749 1.00 1.22 H new HETATM 0 H30A SXH A 101 -5.664 12.470 -3.175 1.00 1.22 H new HETATM 0 H28A SXH A 101 -6.019 9.729 -0.808 1.00 0.52 H new HETATM 0 H6B SXH A 101 1.403 0.287 0.224 1.00 0.67 H new HETATM 0 H6A SXH A 101 2.210 1.625 -0.628 1.00 0.67 H new HETATM 0 H6 SXH A 101 1.477 1.901 0.970 1.00 0.67 H new HETATM 0 H5A SXH A 101 0.039 2.798 -0.814 1.00 0.60 H new HETATM 0 H5 SXH A 101 -0.756 1.481 0.025 1.00 0.60 H new HETATM 0 H4A SXH A 101 -0.046 -0.095 -1.729 1.00 0.62 H new HETATM 0 H43 SXH A 101 -4.943 4.049 -3.790 1.00 0.65 H new HETATM 0 H42 SXH A 101 -5.446 5.798 -5.273 1.00 0.93 H new HETATM 0 H4 SXH A 101 0.814 1.189 -2.556 1.00 0.62 H new HETATM 0 H3A SXH A 101 -2.172 1.212 -2.045 1.00 0.46 H new HETATM 0 H38 SXH A 101 -2.676 9.065 -6.473 1.00 1.13 H new HETATM 0 H37 SXH A 101 -2.026 8.028 -4.063 1.00 1.02 H new HETATM 0 H32 SXH A 101 -2.630 11.401 -1.203 1.00 1.23 H new HETATM 0 H31 SXH A 101 -4.469 13.008 -0.419 1.00 1.14 H new HETATM 0 H30 SXH A 101 -3.950 12.823 -2.856 1.00 1.22 H new HETATM 0 H3 SXH A 101 -1.436 0.606 -3.516 1.00 0.46 H new HETATM 0 H2A SXH A 101 -0.516 2.786 -4.024 1.00 0.61 H new HETATM 0 H28 SXH A 101 -5.414 9.366 -2.412 1.00 0.52 H new HETATM 0 H2 SXH A 101 -1.055 3.420 -2.481 1.00 0.61 H new