USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=16 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+ -133:sc= 0.976 (180deg=-0.0786) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.759 F(o=-3,f=-0.76) USER MOD Single : A 16 ASN :FLIP amide:sc= -5.41! C(o=-6!,f=-5.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= 0.45 (180deg=-0.194) USER MOD Single : A 31 SER OG : rot 30:sc= 1.16 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 42 SER OG : rot -140:sc= 0.0273 USER MOD Single : A 43 MET CE :methyl -166:sc= -3.47! (180deg=-3.84!) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0831 (180deg=-0.46) USER MOD Single : A 64 LYS NZ :NH3+ -132:sc= 1.29 (180deg=-0.0592) USER MOD Single : A 65 ASN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 73 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.0211 (180deg=-0.272) 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) USER MOD Single : A 80 GLN : amide:sc= -2.96! C(o=-3!,f=-8.7!) USER MOD Single : A 101 SXH O33 : rot -129:sc= 1.48 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.862 -7.087 4.809 1.00 1.43 N ATOM 2 CA ALA A 1 13.321 -7.306 3.474 1.00 0.89 C ATOM 3 C ALA A 1 12.032 -8.107 3.517 1.00 0.84 C ATOM 4 O ALA A 1 12.026 -9.311 3.818 1.00 1.31 O ATOM 5 CB ALA A 1 14.327 -7.978 2.566 1.00 1.02 C ATOM 0 H1 ALA A 1 14.127 -6.087 4.916 1.00 1.43 H new ATOM 0 H2 ALA A 1 13.143 -7.333 5.519 1.00 1.43 H new ATOM 0 H3 ALA A 1 14.702 -7.684 4.945 1.00 1.43 H new ATOM 0 HA ALA A 1 13.097 -6.322 3.062 1.00 0.89 H new ATOM 0 HB1 ALA A 1 13.886 -8.124 1.580 1.00 1.02 H new ATOM 0 HB2 ALA A 1 15.214 -7.350 2.478 1.00 1.02 H new ATOM 0 HB3 ALA A 1 14.607 -8.944 2.985 1.00 1.02 H new ATOM 13 N ALA A 2 10.946 -7.435 3.235 1.00 0.70 N ATOM 14 CA ALA A 2 9.652 -8.059 3.132 1.00 0.62 C ATOM 15 C ALA A 2 9.529 -8.726 1.762 1.00 0.65 C ATOM 16 O ALA A 2 10.363 -8.497 0.873 1.00 0.87 O ATOM 17 CB ALA A 2 8.558 -7.020 3.322 1.00 0.59 C ATOM 0 H ALA A 2 10.935 -6.429 3.069 1.00 0.70 H new ATOM 0 HA ALA A 2 9.542 -8.815 3.910 1.00 0.62 H new ATOM 0 HB1 ALA A 2 7.583 -7.500 3.243 1.00 0.59 H new ATOM 0 HB2 ALA A 2 8.658 -6.562 4.306 1.00 0.59 H new ATOM 0 HB3 ALA A 2 8.648 -6.252 2.554 1.00 0.59 H new ATOM 23 N THR A 3 8.509 -9.500 1.573 1.00 0.51 N ATOM 24 CA THR A 3 8.321 -10.228 0.367 1.00 0.54 C ATOM 25 C THR A 3 7.069 -9.734 -0.279 1.00 0.42 C ATOM 26 O THR A 3 6.507 -8.742 0.187 1.00 0.37 O ATOM 27 CB THR A 3 8.184 -11.715 0.683 1.00 0.64 C ATOM 28 OG1 THR A 3 7.208 -11.861 1.733 1.00 0.63 O ATOM 29 CG2 THR A 3 9.510 -12.298 1.131 1.00 0.82 C ATOM 0 H THR A 3 7.774 -9.644 2.265 1.00 0.51 H new ATOM 0 HA THR A 3 9.172 -10.088 -0.299 1.00 0.54 H new ATOM 0 HB THR A 3 7.869 -12.250 -0.213 1.00 0.64 H new ATOM 0 HG1 THR A 3 7.102 -12.810 1.952 1.00 0.63 H new ATOM 0 HG21 THR A 3 9.386 -13.358 1.350 1.00 0.82 H new ATOM 0 HG22 THR A 3 10.248 -12.175 0.338 1.00 0.82 H new ATOM 0 HG23 THR A 3 9.851 -11.780 2.027 1.00 0.82 H new ATOM 37 N GLN A 4 6.590 -10.428 -1.280 1.00 0.44 N ATOM 38 CA GLN A 4 5.361 -10.061 -1.927 1.00 0.42 C ATOM 39 C GLN A 4 4.239 -10.122 -0.899 1.00 0.38 C ATOM 40 O GLN A 4 3.520 -9.145 -0.700 1.00 0.38 O ATOM 41 CB GLN A 4 5.125 -10.979 -3.169 1.00 0.52 C ATOM 42 CG GLN A 4 3.846 -10.739 -4.004 1.00 0.66 C ATOM 43 CD GLN A 4 2.594 -11.395 -3.431 1.00 0.76 C ATOM 44 OE1 GLN A 4 1.875 -10.686 -2.619 1.00 1.24 O flip ATOM 45 NE2 GLN A 4 2.283 -12.543 -3.741 1.00 0.63 N flip ATOM 0 H GLN A 4 7.040 -11.258 -1.666 1.00 0.44 H new ATOM 0 HA GLN A 4 5.398 -9.041 -2.309 1.00 0.42 H new ATOM 0 HB2 GLN A 4 5.984 -10.874 -3.832 1.00 0.52 H new ATOM 0 HB3 GLN A 4 5.112 -12.013 -2.825 1.00 0.52 H new ATOM 0 HG2 GLN A 4 3.675 -9.666 -4.086 1.00 0.66 H new ATOM 0 HG3 GLN A 4 4.009 -11.114 -5.014 1.00 0.66 H new ATOM 0 HE21 GLN A 4 2.871 -13.075 -4.383 1.00 0.63 H new ATOM 0 HE22 GLN A 4 1.437 -12.964 -3.356 1.00 0.63 H new ATOM 54 N GLU A 5 4.151 -11.236 -0.210 1.00 0.40 N ATOM 55 CA GLU A 5 3.129 -11.463 0.783 1.00 0.46 C ATOM 56 C GLU A 5 3.274 -10.499 1.962 1.00 0.37 C ATOM 57 O GLU A 5 2.290 -9.952 2.438 1.00 0.37 O ATOM 58 CB GLU A 5 3.210 -12.895 1.280 1.00 0.63 C ATOM 59 CG GLU A 5 2.064 -13.299 2.171 1.00 1.35 C ATOM 60 CD GLU A 5 2.238 -14.676 2.723 1.00 1.79 C ATOM 61 OE1 GLU A 5 2.094 -15.653 1.968 1.00 2.43 O ATOM 62 OE2 GLU A 5 2.558 -14.807 3.927 1.00 2.08 O ATOM 0 H GLU A 5 4.795 -12.019 -0.325 1.00 0.40 H new ATOM 0 HA GLU A 5 2.159 -11.286 0.319 1.00 0.46 H new ATOM 0 HB2 GLU A 5 3.243 -13.566 0.421 1.00 0.63 H new ATOM 0 HB3 GLU A 5 4.145 -13.028 1.825 1.00 0.63 H new ATOM 0 HG2 GLU A 5 1.977 -12.588 2.993 1.00 1.35 H new ATOM 0 HG3 GLU A 5 1.133 -13.250 1.607 1.00 1.35 H new ATOM 69 N GLU A 6 4.500 -10.277 2.403 1.00 0.36 N ATOM 70 CA GLU A 6 4.740 -9.410 3.560 1.00 0.37 C ATOM 71 C GLU A 6 4.372 -7.974 3.296 1.00 0.29 C ATOM 72 O GLU A 6 3.799 -7.320 4.169 1.00 0.31 O ATOM 73 CB GLU A 6 6.155 -9.509 4.084 1.00 0.46 C ATOM 74 CG GLU A 6 6.471 -10.838 4.708 1.00 0.67 C ATOM 75 CD GLU A 6 5.602 -11.108 5.897 1.00 1.38 C ATOM 76 OE1 GLU A 6 5.846 -10.530 6.968 1.00 1.91 O ATOM 77 OE2 GLU A 6 4.674 -11.921 5.794 1.00 2.07 O ATOM 0 H GLU A 6 5.341 -10.677 1.988 1.00 0.36 H new ATOM 0 HA GLU A 6 4.075 -9.784 4.339 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.851 -9.326 3.265 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.317 -8.723 4.821 1.00 0.46 H new ATOM 0 HG2 GLU A 6 6.335 -11.629 3.970 1.00 0.67 H new ATOM 0 HG3 GLU A 6 7.518 -10.860 5.009 1.00 0.67 H new ATOM 84 N ILE A 7 4.713 -7.464 2.117 1.00 0.24 N ATOM 85 CA ILE A 7 4.292 -6.132 1.743 1.00 0.19 C ATOM 86 C ILE A 7 2.783 -6.078 1.711 1.00 0.17 C ATOM 87 O ILE A 7 2.175 -5.212 2.340 1.00 0.20 O ATOM 88 CB ILE A 7 4.846 -5.758 0.373 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.358 -5.782 0.434 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.345 -4.374 -0.049 1.00 0.19 C ATOM 91 CD1 ILE A 7 7.003 -5.666 -0.898 1.00 0.25 C ATOM 0 H ILE A 7 5.273 -7.951 1.417 1.00 0.24 H new ATOM 0 HA ILE A 7 4.674 -5.422 2.477 1.00 0.19 H new ATOM 0 HB ILE A 7 4.501 -6.477 -0.370 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.702 -4.965 1.068 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.681 -6.710 0.906 1.00 0.23 H new ATOM 0 HG21 ILE A 7 4.751 -4.124 -1.029 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.256 -4.380 -0.098 1.00 0.19 H new ATOM 0 HG23 ILE A 7 4.671 -3.631 0.679 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.086 -5.690 -0.781 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.688 -6.497 -1.529 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.709 -4.725 -1.364 1.00 0.25 H new ATOM 103 N VAL A 8 2.199 -7.033 1.019 1.00 0.15 N ATOM 104 CA VAL A 8 0.741 -7.097 0.865 1.00 0.15 C ATOM 105 C VAL A 8 0.036 -7.122 2.222 1.00 0.17 C ATOM 106 O VAL A 8 -0.762 -6.238 2.512 1.00 0.19 O ATOM 107 CB VAL A 8 0.307 -8.301 -0.012 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.201 -8.487 0.011 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.749 -8.063 -1.434 1.00 0.18 C ATOM 0 H VAL A 8 2.704 -7.784 0.548 1.00 0.15 H new ATOM 0 HA VAL A 8 0.434 -6.188 0.347 1.00 0.15 H new ATOM 0 HB VAL A 8 0.772 -9.201 0.390 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.472 -9.338 -0.613 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.530 -8.668 1.034 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.684 -7.588 -0.372 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.447 -8.906 -2.055 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.287 -7.151 -1.811 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.834 -7.960 -1.465 1.00 0.18 H new ATOM 119 N ALA A 9 0.372 -8.095 3.060 1.00 0.19 N ATOM 120 CA ALA A 9 -0.254 -8.240 4.376 1.00 0.22 C ATOM 121 C ALA A 9 0.049 -7.046 5.287 1.00 0.18 C ATOM 122 O ALA A 9 -0.732 -6.720 6.171 1.00 0.20 O ATOM 123 CB ALA A 9 0.185 -9.537 5.032 1.00 0.28 C ATOM 0 H ALA A 9 1.078 -8.801 2.853 1.00 0.19 H new ATOM 0 HA ALA A 9 -1.333 -8.268 4.225 1.00 0.22 H new ATOM 0 HB1 ALA A 9 -0.289 -9.629 6.009 1.00 0.28 H new ATOM 0 HB2 ALA A 9 -0.108 -10.379 4.405 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.268 -9.535 5.153 1.00 0.28 H new ATOM 129 N GLY A 10 1.149 -6.365 5.011 1.00 0.17 N ATOM 130 CA GLY A 10 1.566 -5.246 5.794 1.00 0.17 C ATOM 131 C GLY A 10 0.762 -4.044 5.460 1.00 0.15 C ATOM 132 O GLY A 10 0.398 -3.282 6.328 1.00 0.18 O ATOM 0 H GLY A 10 1.770 -6.585 4.232 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.460 -5.478 6.854 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.622 -5.044 5.616 1.00 0.17 H new ATOM 136 N LEU A 11 0.491 -3.868 4.189 1.00 0.14 N ATOM 137 CA LEU A 11 -0.367 -2.797 3.747 1.00 0.14 C ATOM 138 C LEU A 11 -1.759 -3.118 4.193 1.00 0.13 C ATOM 139 O LEU A 11 -2.430 -2.285 4.793 1.00 0.15 O ATOM 140 CB LEU A 11 -0.345 -2.681 2.218 1.00 0.14 C ATOM 141 CG LEU A 11 1.014 -2.453 1.569 1.00 0.18 C ATOM 142 CD1 LEU A 11 0.879 -2.417 0.058 1.00 0.17 C ATOM 143 CD2 LEU A 11 1.642 -1.175 2.083 1.00 0.26 C ATOM 0 H LEU A 11 0.855 -4.457 3.440 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.023 -1.852 4.168 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.772 -3.593 1.801 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -1.002 -1.860 1.929 1.00 0.14 H new ATOM 0 HG LEU A 11 1.669 -3.283 1.835 1.00 0.18 H new ATOM 0 HD11 LEU A 11 1.859 -2.253 -0.391 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.472 -3.365 -0.294 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.209 -1.606 -0.228 1.00 0.17 H new ATOM 0 HD21 LEU A 11 2.612 -1.030 1.608 1.00 0.26 H new ATOM 0 HD22 LEU A 11 0.993 -0.331 1.849 1.00 0.26 H new ATOM 0 HD23 LEU A 11 1.774 -1.243 3.163 1.00 0.26 H new ATOM 155 N ALA A 12 -2.152 -4.362 3.949 1.00 0.12 N ATOM 156 CA ALA A 12 -3.468 -4.855 4.251 1.00 0.13 C ATOM 157 C ALA A 12 -3.861 -4.609 5.668 1.00 0.13 C ATOM 158 O ALA A 12 -4.888 -4.027 5.889 1.00 0.15 O ATOM 159 CB ALA A 12 -3.594 -6.313 3.939 1.00 0.14 C ATOM 0 H ALA A 12 -1.543 -5.063 3.526 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.150 -4.294 3.612 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.602 -6.651 4.180 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.400 -6.476 2.879 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.872 -6.875 4.531 1.00 0.14 H new ATOM 165 N GLU A 13 -3.027 -5.012 6.631 1.00 0.13 N ATOM 166 CA GLU A 13 -3.356 -4.843 8.054 1.00 0.18 C ATOM 167 C GLU A 13 -3.664 -3.394 8.404 1.00 0.18 C ATOM 168 O GLU A 13 -4.510 -3.114 9.261 1.00 0.27 O ATOM 169 CB GLU A 13 -2.279 -5.418 8.974 1.00 0.27 C ATOM 170 CG GLU A 13 -0.908 -4.831 8.759 1.00 0.28 C ATOM 171 CD GLU A 13 0.100 -5.301 9.754 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.262 -4.657 10.790 1.00 0.66 O ATOM 173 OE2 GLU A 13 0.799 -6.289 9.508 1.00 0.76 O ATOM 0 H GLU A 13 -2.125 -5.455 6.456 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.265 -5.420 8.224 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.575 -5.252 10.010 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -2.228 -6.497 8.826 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.565 -5.086 7.757 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -0.975 -3.744 8.806 1.00 0.28 H new ATOM 180 N ILE A 14 -3.027 -2.495 7.708 1.00 0.13 N ATOM 181 CA ILE A 14 -3.259 -1.080 7.901 1.00 0.13 C ATOM 182 C ILE A 14 -4.601 -0.688 7.226 1.00 0.13 C ATOM 183 O ILE A 14 -5.490 -0.083 7.854 1.00 0.17 O ATOM 184 CB ILE A 14 -2.085 -0.276 7.309 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.774 -0.787 7.919 1.00 0.19 C ATOM 186 CG2 ILE A 14 -2.266 1.192 7.655 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.466 -0.263 7.241 1.00 0.25 C ATOM 0 H ILE A 14 -2.334 -2.715 6.992 1.00 0.13 H new ATOM 0 HA ILE A 14 -3.323 -0.852 8.965 1.00 0.13 H new ATOM 0 HB ILE A 14 -2.057 -0.396 6.226 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.744 -0.510 8.973 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.766 -1.876 7.876 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.439 1.768 7.240 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -3.206 1.551 7.236 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -2.283 1.311 8.738 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.349 -0.671 7.732 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.462 -0.563 6.193 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.485 0.825 7.307 1.00 0.25 H new ATOM 199 N VAL A 15 -4.737 -1.061 5.950 1.00 0.10 N ATOM 200 CA VAL A 15 -5.950 -0.860 5.146 1.00 0.11 C ATOM 201 C VAL A 15 -7.175 -1.430 5.870 1.00 0.12 C ATOM 202 O VAL A 15 -8.252 -0.838 5.826 1.00 0.17 O ATOM 203 CB VAL A 15 -5.808 -1.563 3.772 1.00 0.12 C ATOM 204 CG1 VAL A 15 -7.015 -1.309 2.889 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.570 -1.095 3.077 1.00 0.15 C ATOM 0 H VAL A 15 -3.989 -1.523 5.433 1.00 0.10 H new ATOM 0 HA VAL A 15 -6.082 0.212 4.998 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.740 -2.635 3.956 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -6.881 -1.817 1.934 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -7.911 -1.689 3.379 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -7.122 -0.238 2.718 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.482 -1.596 2.113 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.625 -0.018 2.922 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.699 -1.329 3.689 1.00 0.15 H new ATOM 215 N ASN A 16 -6.976 -2.573 6.541 1.00 0.11 N ATOM 216 CA ASN A 16 -8.007 -3.261 7.349 1.00 0.15 C ATOM 217 C ASN A 16 -8.698 -2.316 8.279 1.00 0.19 C ATOM 218 O ASN A 16 -9.904 -2.377 8.432 1.00 0.27 O ATOM 219 CB ASN A 16 -7.418 -4.386 8.227 1.00 0.18 C ATOM 220 CG ASN A 16 -7.227 -5.726 7.583 1.00 0.32 C ATOM 221 OD1 ASN A 16 -6.893 -5.767 6.349 1.00 0.85 O flip ATOM 222 ND2 ASN A 16 -7.363 -6.744 8.246 1.00 0.15 N flip ATOM 0 H ASN A 16 -6.079 -3.059 6.541 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.703 -3.677 6.621 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.451 -4.051 8.603 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -8.069 -4.516 9.092 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -7.630 -6.681 9.228 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -7.209 -7.656 7.817 1.00 0.15 H new ATOM 229 N GLU A 17 -7.935 -1.447 8.893 1.00 0.21 N ATOM 230 CA GLU A 17 -8.468 -0.538 9.866 1.00 0.29 C ATOM 231 C GLU A 17 -9.191 0.616 9.227 1.00 0.27 C ATOM 232 O GLU A 17 -10.384 0.802 9.445 1.00 0.39 O ATOM 233 CB GLU A 17 -7.372 0.019 10.750 1.00 0.40 C ATOM 234 CG GLU A 17 -6.645 -1.000 11.574 1.00 0.51 C ATOM 235 CD GLU A 17 -5.620 -0.343 12.444 1.00 1.42 C ATOM 236 OE1 GLU A 17 -5.994 0.272 13.457 1.00 1.56 O ATOM 237 OE2 GLU A 17 -4.428 -0.404 12.124 1.00 2.35 O ATOM 0 H GLU A 17 -6.932 -1.353 8.731 1.00 0.21 H new ATOM 0 HA GLU A 17 -9.175 -1.114 10.463 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -6.649 0.540 10.122 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -7.807 0.762 11.419 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -7.355 -1.549 12.192 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -6.163 -1.727 10.920 1.00 0.51 H new ATOM 244 N ILE A 18 -8.478 1.383 8.429 1.00 0.21 N ATOM 245 CA ILE A 18 -9.012 2.643 7.942 1.00 0.22 C ATOM 246 C ILE A 18 -10.037 2.413 6.829 1.00 0.23 C ATOM 247 O ILE A 18 -11.191 2.831 6.937 1.00 0.28 O ATOM 248 CB ILE A 18 -7.885 3.490 7.333 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.585 3.378 8.122 1.00 0.24 C ATOM 250 CG2 ILE A 18 -8.314 4.947 7.300 1.00 0.28 C ATOM 251 CD1 ILE A 18 -5.439 4.036 7.421 1.00 0.27 C ATOM 0 H ILE A 18 -7.536 1.162 8.105 1.00 0.21 H new ATOM 0 HA ILE A 18 -9.477 3.145 8.791 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.700 3.113 6.327 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.718 3.833 9.104 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -6.352 2.326 8.287 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.516 5.551 6.868 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -9.214 5.048 6.694 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -8.520 5.289 8.314 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -4.536 3.930 8.022 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -5.287 3.564 6.450 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.658 5.094 7.280 1.00 0.27 H new ATOM 263 N ALA A 19 -9.625 1.709 5.784 1.00 0.21 N ATOM 264 CA ALA A 19 -10.510 1.454 4.655 1.00 0.26 C ATOM 265 C ALA A 19 -11.472 0.324 4.949 1.00 0.26 C ATOM 266 O ALA A 19 -12.607 0.318 4.468 1.00 0.44 O ATOM 267 CB ALA A 19 -9.705 1.128 3.429 1.00 0.28 C ATOM 0 H ALA A 19 -8.692 1.307 5.694 1.00 0.21 H new ATOM 0 HA ALA A 19 -11.092 2.359 4.479 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -10.377 0.939 2.592 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -9.052 1.967 3.188 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -9.101 0.240 3.616 1.00 0.28 H new ATOM 273 N GLY A 20 -11.008 -0.633 5.704 1.00 0.18 N ATOM 274 CA GLY A 20 -11.827 -1.751 6.053 1.00 0.22 C ATOM 275 C GLY A 20 -11.626 -2.908 5.111 1.00 0.18 C ATOM 276 O GLY A 20 -12.358 -3.884 5.169 1.00 0.27 O ATOM 0 H GLY A 20 -10.064 -0.657 6.088 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.596 -2.067 7.071 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.875 -1.451 6.042 1.00 0.22 H new ATOM 280 N ILE A 21 -10.626 -2.812 4.233 1.00 0.14 N ATOM 281 CA ILE A 21 -10.375 -3.875 3.291 1.00 0.15 C ATOM 282 C ILE A 21 -9.658 -4.994 3.982 1.00 0.16 C ATOM 283 O ILE A 21 -8.574 -4.778 4.499 1.00 0.17 O ATOM 284 CB ILE A 21 -9.548 -3.398 2.079 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.296 -2.290 1.369 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.285 -4.555 1.119 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.685 -2.711 0.962 1.00 0.25 C ATOM 0 H ILE A 21 -9.991 -2.016 4.164 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.339 -4.218 2.914 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.587 -3.022 2.429 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.359 -1.420 2.022 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.737 -1.985 0.485 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.701 -4.198 0.271 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.732 -5.339 1.637 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.234 -4.955 0.763 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -12.183 -1.883 0.456 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.623 -3.564 0.287 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.255 -2.990 1.848 1.00 0.25 H new ATOM 299 N PRO A 22 -10.268 -6.191 4.007 1.00 0.21 N ATOM 300 CA PRO A 22 -9.726 -7.377 4.685 1.00 0.24 C ATOM 301 C PRO A 22 -8.328 -7.742 4.214 1.00 0.21 C ATOM 302 O PRO A 22 -7.959 -7.470 3.058 1.00 0.21 O ATOM 303 CB PRO A 22 -10.702 -8.477 4.299 1.00 0.33 C ATOM 304 CG PRO A 22 -11.960 -7.760 4.013 1.00 0.33 C ATOM 305 CD PRO A 22 -11.556 -6.489 3.363 1.00 0.25 C ATOM 0 HA PRO A 22 -9.631 -7.213 5.758 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.353 -9.032 3.428 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -10.829 -9.198 5.106 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.606 -8.347 3.359 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.520 -7.571 4.929 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.453 -6.601 2.284 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.286 -5.698 3.533 1.00 0.25 H new ATOM 313 N VAL A 23 -7.564 -8.386 5.099 1.00 0.24 N ATOM 314 CA VAL A 23 -6.176 -8.742 4.810 1.00 0.29 C ATOM 315 C VAL A 23 -6.044 -9.579 3.547 1.00 0.35 C ATOM 316 O VAL A 23 -5.151 -9.363 2.747 1.00 0.51 O ATOM 317 CB VAL A 23 -5.440 -9.464 5.985 1.00 0.37 C ATOM 318 CG1 VAL A 23 -5.080 -8.497 7.079 1.00 0.84 C ATOM 319 CG2 VAL A 23 -6.281 -10.593 6.554 1.00 0.90 C ATOM 0 H VAL A 23 -7.886 -8.672 6.024 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.686 -7.780 4.661 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.522 -9.886 5.575 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -4.570 -9.029 7.882 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -4.422 -7.725 6.680 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -5.987 -8.035 7.469 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -5.740 -11.074 7.369 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -7.222 -10.192 6.930 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -6.485 -11.325 5.772 1.00 0.90 H new ATOM 329 N GLU A 24 -6.965 -10.500 3.359 1.00 0.37 N ATOM 330 CA GLU A 24 -6.918 -11.379 2.217 1.00 0.54 C ATOM 331 C GLU A 24 -7.723 -10.842 1.037 1.00 0.40 C ATOM 332 O GLU A 24 -7.810 -11.492 -0.008 1.00 0.46 O ATOM 333 CB GLU A 24 -7.320 -12.839 2.567 1.00 0.87 C ATOM 334 CG GLU A 24 -8.696 -13.032 3.223 1.00 1.32 C ATOM 335 CD GLU A 24 -8.756 -12.561 4.656 1.00 2.07 C ATOM 336 OE1 GLU A 24 -8.431 -13.349 5.566 1.00 2.34 O ATOM 337 OE2 GLU A 24 -9.138 -11.399 4.899 1.00 2.99 O ATOM 0 H GLU A 24 -7.755 -10.657 3.985 1.00 0.37 H new ATOM 0 HA GLU A 24 -5.874 -11.407 1.906 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -7.293 -13.429 1.651 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -6.563 -13.251 3.234 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -9.445 -12.494 2.641 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -8.962 -14.088 3.186 1.00 1.32 H new ATOM 344 N ASP A 25 -8.324 -9.666 1.187 1.00 0.30 N ATOM 345 CA ASP A 25 -9.038 -9.075 0.069 1.00 0.25 C ATOM 346 C ASP A 25 -8.015 -8.310 -0.725 1.00 0.20 C ATOM 347 O ASP A 25 -8.033 -8.304 -1.960 1.00 0.20 O ATOM 348 CB ASP A 25 -10.172 -8.150 0.536 1.00 0.31 C ATOM 349 CG ASP A 25 -11.171 -7.813 -0.570 1.00 0.42 C ATOM 350 OD1 ASP A 25 -12.085 -8.630 -0.813 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.097 -6.725 -1.177 1.00 0.53 O ATOM 0 H ASP A 25 -8.331 -9.119 2.048 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.515 -9.849 -0.532 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -10.702 -8.624 1.362 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -9.742 -7.226 0.922 1.00 0.31 H new ATOM 356 N VAL A 26 -7.095 -7.682 0.016 1.00 0.18 N ATOM 357 CA VAL A 26 -5.931 -7.012 -0.521 1.00 0.16 C ATOM 358 C VAL A 26 -5.042 -8.039 -1.235 1.00 0.16 C ATOM 359 O VAL A 26 -4.319 -8.812 -0.605 1.00 0.19 O ATOM 360 CB VAL A 26 -5.117 -6.353 0.640 1.00 0.15 C ATOM 361 CG1 VAL A 26 -3.828 -5.722 0.147 1.00 0.16 C ATOM 362 CG2 VAL A 26 -5.947 -5.315 1.369 1.00 0.18 C ATOM 0 H VAL A 26 -7.152 -7.631 1.033 1.00 0.18 H new ATOM 0 HA VAL A 26 -6.251 -6.242 -1.223 1.00 0.16 H new ATOM 0 HB VAL A 26 -4.859 -7.154 1.332 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.296 -5.277 0.988 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.202 -6.486 -0.315 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -4.058 -4.949 -0.587 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.355 -4.874 2.171 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.250 -4.535 0.670 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -6.833 -5.789 1.791 1.00 0.18 H new ATOM 372 N LYS A 27 -5.199 -8.118 -2.515 1.00 0.21 N ATOM 373 CA LYS A 27 -4.391 -8.975 -3.340 1.00 0.25 C ATOM 374 C LYS A 27 -3.627 -8.092 -4.290 1.00 0.44 C ATOM 375 O LYS A 27 -4.004 -6.957 -4.466 1.00 1.20 O ATOM 376 CB LYS A 27 -5.255 -9.980 -4.080 1.00 0.26 C ATOM 377 CG LYS A 27 -5.981 -10.942 -3.171 1.00 0.36 C ATOM 378 CD LYS A 27 -6.800 -11.928 -3.960 1.00 1.43 C ATOM 379 CE LYS A 27 -7.523 -12.884 -3.042 1.00 1.66 C ATOM 380 NZ LYS A 27 -8.299 -13.891 -3.790 1.00 2.03 N ATOM 0 H LYS A 27 -5.899 -7.585 -3.031 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.696 -9.555 -2.733 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -5.986 -9.442 -4.684 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.628 -10.547 -4.768 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -5.259 -11.477 -2.554 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -6.630 -10.386 -2.494 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -7.522 -11.395 -4.578 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -6.152 -12.486 -4.636 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -6.799 -13.387 -2.401 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -8.192 -12.323 -2.389 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -8.779 -14.526 -3.121 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -9.007 -13.413 -4.383 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -7.658 -14.444 -4.394 1.00 2.03 H new ATOM 394 N LEU A 28 -2.590 -8.594 -4.914 1.00 0.34 N ATOM 395 CA LEU A 28 -1.696 -7.743 -5.699 1.00 0.34 C ATOM 396 C LEU A 28 -2.424 -6.992 -6.850 1.00 0.32 C ATOM 397 O LEU A 28 -2.251 -5.784 -7.023 1.00 0.46 O ATOM 398 CB LEU A 28 -0.457 -8.538 -6.185 1.00 0.56 C ATOM 399 CG LEU A 28 -0.541 -9.264 -7.529 1.00 0.58 C ATOM 400 CD1 LEU A 28 -0.147 -8.323 -8.678 1.00 1.20 C ATOM 401 CD2 LEU A 28 0.315 -10.518 -7.527 1.00 1.12 C ATOM 0 H LEU A 28 -2.335 -9.582 -4.901 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.336 -6.957 -5.035 1.00 0.34 H new ATOM 0 HB2 LEU A 28 0.384 -7.846 -6.233 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -0.217 -9.278 -5.422 1.00 0.56 H new ATOM 0 HG LEU A 28 -1.575 -9.572 -7.685 1.00 0.58 H new ATOM 0 HD11 LEU A 28 -0.213 -8.858 -9.625 1.00 1.20 H new ATOM 0 HD12 LEU A 28 -0.823 -7.468 -8.696 1.00 1.20 H new ATOM 0 HD13 LEU A 28 0.875 -7.974 -8.529 1.00 1.20 H new ATOM 0 HD21 LEU A 28 0.236 -11.014 -8.494 1.00 1.12 H new ATOM 0 HD22 LEU A 28 1.355 -10.249 -7.341 1.00 1.12 H new ATOM 0 HD23 LEU A 28 -0.031 -11.193 -6.744 1.00 1.12 H new ATOM 413 N ASP A 29 -3.293 -7.655 -7.560 1.00 0.34 N ATOM 414 CA ASP A 29 -3.939 -7.036 -8.685 1.00 0.46 C ATOM 415 C ASP A 29 -5.284 -6.590 -8.230 1.00 0.34 C ATOM 416 O ASP A 29 -6.329 -7.025 -8.702 1.00 0.56 O ATOM 417 CB ASP A 29 -4.019 -7.979 -9.878 1.00 0.79 C ATOM 418 CG ASP A 29 -4.636 -7.336 -11.112 1.00 1.41 C ATOM 419 OD1 ASP A 29 -3.940 -6.557 -11.802 1.00 1.85 O ATOM 420 OD2 ASP A 29 -5.835 -7.579 -11.394 1.00 2.12 O ATOM 0 H ASP A 29 -3.570 -8.620 -7.382 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.361 -6.180 -9.033 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -3.017 -8.331 -10.122 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -4.605 -8.855 -9.601 1.00 0.79 H new ATOM 425 N LYS A 30 -5.238 -5.820 -7.201 1.00 0.26 N ATOM 426 CA LYS A 30 -6.361 -5.268 -6.607 1.00 0.21 C ATOM 427 C LYS A 30 -6.046 -3.845 -6.327 1.00 0.22 C ATOM 428 O LYS A 30 -5.264 -3.525 -5.445 1.00 0.32 O ATOM 429 CB LYS A 30 -6.762 -6.020 -5.328 1.00 0.23 C ATOM 430 CG LYS A 30 -7.183 -7.471 -5.558 1.00 0.43 C ATOM 431 CD LYS A 30 -8.446 -7.563 -6.393 1.00 0.61 C ATOM 432 CE LYS A 30 -8.760 -8.995 -6.792 1.00 0.66 C ATOM 433 NZ LYS A 30 -7.759 -9.545 -7.738 1.00 1.38 N ATOM 0 H LYS A 30 -4.365 -5.557 -6.743 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.219 -5.348 -7.274 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -5.923 -6.003 -4.632 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.584 -5.487 -4.849 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -6.377 -8.009 -6.057 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -7.346 -7.959 -4.597 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -9.284 -7.151 -5.830 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -8.334 -6.953 -7.289 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -8.796 -9.620 -5.899 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -9.749 -9.035 -7.248 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -8.246 -10.072 -8.491 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -7.213 -8.766 -8.158 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -7.115 -10.184 -7.229 1.00 1.38 H new ATOM 447 N SER A 31 -6.516 -3.030 -7.182 1.00 0.20 N ATOM 448 CA SER A 31 -6.409 -1.621 -7.036 1.00 0.21 C ATOM 449 C SER A 31 -7.160 -1.210 -5.795 1.00 0.19 C ATOM 450 O SER A 31 -8.348 -1.522 -5.639 1.00 0.21 O ATOM 451 CB SER A 31 -6.968 -0.892 -8.268 1.00 0.26 C ATOM 452 OG SER A 31 -6.763 0.515 -8.176 1.00 1.23 O ATOM 0 H SER A 31 -7.001 -3.323 -8.030 1.00 0.20 H new ATOM 0 HA SER A 31 -5.358 -1.346 -6.945 1.00 0.21 H new ATOM 0 HB2 SER A 31 -6.486 -1.273 -9.168 1.00 0.26 H new ATOM 0 HB3 SER A 31 -8.034 -1.101 -8.364 1.00 0.26 H new ATOM 0 HG SER A 31 -5.950 0.694 -7.659 1.00 1.23 H new ATOM 458 N PHE A 32 -6.464 -0.595 -4.901 1.00 0.21 N ATOM 459 CA PHE A 32 -7.057 -0.107 -3.677 1.00 0.20 C ATOM 460 C PHE A 32 -8.331 0.736 -3.903 1.00 0.23 C ATOM 461 O PHE A 32 -9.389 0.412 -3.355 1.00 0.28 O ATOM 462 CB PHE A 32 -6.050 0.654 -2.866 1.00 0.21 C ATOM 463 CG PHE A 32 -5.129 -0.223 -2.103 1.00 0.18 C ATOM 464 CD1 PHE A 32 -5.520 -0.742 -0.882 1.00 0.22 C ATOM 465 CD2 PHE A 32 -3.884 -0.533 -2.590 1.00 0.17 C ATOM 466 CE1 PHE A 32 -4.680 -1.553 -0.166 1.00 0.22 C ATOM 467 CE2 PHE A 32 -3.037 -1.333 -1.882 1.00 0.18 C ATOM 468 CZ PHE A 32 -3.430 -1.852 -0.662 1.00 0.18 C ATOM 0 H PHE A 32 -5.465 -0.410 -4.987 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.373 -0.988 -3.119 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.467 1.292 -3.530 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.574 1.311 -2.172 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -6.498 -0.505 -0.489 1.00 0.22 H new ATOM 0 HD2 PHE A 32 -3.571 -0.139 -3.546 1.00 0.17 H new ATOM 0 HE1 PHE A 32 -4.997 -1.957 0.784 1.00 0.22 H new ATOM 0 HE2 PHE A 32 -2.057 -1.562 -2.275 1.00 0.18 H new ATOM 0 HZ PHE A 32 -2.761 -2.488 -0.101 1.00 0.18 H new ATOM 478 N THR A 33 -8.235 1.784 -4.693 1.00 0.25 N ATOM 479 CA THR A 33 -9.370 2.647 -5.014 1.00 0.37 C ATOM 480 C THR A 33 -10.280 2.092 -6.139 1.00 0.37 C ATOM 481 O THR A 33 -10.938 2.865 -6.852 1.00 0.59 O ATOM 482 CB THR A 33 -8.854 4.041 -5.415 1.00 0.56 C ATOM 483 OG1 THR A 33 -7.575 3.896 -6.054 1.00 1.39 O ATOM 484 CG2 THR A 33 -8.731 4.970 -4.220 1.00 0.88 C ATOM 0 H THR A 33 -7.363 2.070 -5.138 1.00 0.25 H new ATOM 0 HA THR A 33 -9.985 2.698 -4.115 1.00 0.37 H new ATOM 0 HB THR A 33 -9.575 4.489 -6.099 1.00 0.56 H new ATOM 0 HG1 THR A 33 -7.238 4.778 -6.315 1.00 1.39 H new ATOM 0 HG21 THR A 33 -8.364 5.941 -4.551 1.00 0.88 H new ATOM 0 HG22 THR A 33 -9.708 5.092 -3.752 1.00 0.88 H new ATOM 0 HG23 THR A 33 -8.033 4.545 -3.499 1.00 0.88 H new ATOM 492 N ASP A 34 -10.390 0.772 -6.255 1.00 0.27 N ATOM 493 CA ASP A 34 -11.242 0.189 -7.298 1.00 0.29 C ATOM 494 C ASP A 34 -11.633 -1.236 -6.967 1.00 0.30 C ATOM 495 O ASP A 34 -12.799 -1.536 -6.714 1.00 0.46 O ATOM 496 CB ASP A 34 -10.545 0.212 -8.665 1.00 0.34 C ATOM 497 CG ASP A 34 -11.450 -0.307 -9.756 1.00 0.44 C ATOM 498 OD1 ASP A 34 -12.288 0.474 -10.253 1.00 0.59 O ATOM 499 OD2 ASP A 34 -11.355 -1.500 -10.116 1.00 0.54 O ATOM 0 H ASP A 34 -9.914 0.096 -5.658 1.00 0.27 H new ATOM 0 HA ASP A 34 -12.142 0.802 -7.343 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -10.237 1.231 -8.900 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -9.640 -0.393 -8.623 1.00 0.34 H new ATOM 504 N ASP A 35 -10.649 -2.088 -6.961 1.00 0.22 N ATOM 505 CA ASP A 35 -10.798 -3.517 -6.699 1.00 0.25 C ATOM 506 C ASP A 35 -11.201 -3.776 -5.285 1.00 0.28 C ATOM 507 O ASP A 35 -12.080 -4.603 -5.001 1.00 0.47 O ATOM 508 CB ASP A 35 -9.478 -4.239 -6.973 1.00 0.29 C ATOM 509 CG ASP A 35 -9.196 -4.538 -8.430 1.00 0.88 C ATOM 510 OD1 ASP A 35 -9.845 -5.402 -9.005 1.00 1.28 O ATOM 511 OD2 ASP A 35 -8.286 -3.911 -9.008 1.00 1.31 O ATOM 0 H ASP A 35 -9.684 -1.813 -7.143 1.00 0.22 H new ATOM 0 HA ASP A 35 -11.579 -3.891 -7.360 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -8.662 -3.633 -6.579 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.474 -5.178 -6.419 1.00 0.29 H new ATOM 516 N LEU A 36 -10.560 -3.086 -4.397 1.00 0.19 N ATOM 517 CA LEU A 36 -10.789 -3.272 -3.000 1.00 0.18 C ATOM 518 C LEU A 36 -11.929 -2.391 -2.517 1.00 0.22 C ATOM 519 O LEU A 36 -13.072 -2.844 -2.469 1.00 0.41 O ATOM 520 CB LEU A 36 -9.494 -3.003 -2.232 1.00 0.16 C ATOM 521 CG LEU A 36 -8.307 -3.858 -2.663 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.090 -3.553 -1.843 1.00 0.21 C ATOM 523 CD2 LEU A 36 -8.648 -5.310 -2.555 1.00 0.21 C ATOM 0 H LEU A 36 -9.862 -2.377 -4.620 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.088 -4.304 -2.815 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.229 -1.952 -2.350 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.677 -3.168 -1.170 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.083 -3.620 -3.703 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.262 -4.179 -2.175 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -6.823 -2.503 -1.965 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.299 -3.755 -0.792 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -7.792 -5.909 -2.866 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -8.902 -5.548 -1.522 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.499 -5.533 -3.198 1.00 0.21 H new ATOM 535 N ASP A 37 -11.561 -1.169 -2.139 1.00 0.21 N ATOM 536 CA ASP A 37 -12.427 -0.034 -1.704 1.00 0.31 C ATOM 537 C ASP A 37 -11.725 0.729 -0.601 1.00 0.32 C ATOM 538 O ASP A 37 -12.065 0.632 0.588 1.00 0.65 O ATOM 539 CB ASP A 37 -13.868 -0.393 -1.244 1.00 0.49 C ATOM 540 CG ASP A 37 -14.686 0.843 -0.886 1.00 0.82 C ATOM 541 OD1 ASP A 37 -14.813 1.759 -1.737 1.00 1.24 O ATOM 542 OD2 ASP A 37 -15.235 0.915 0.240 1.00 1.05 O ATOM 0 H ASP A 37 -10.575 -0.908 -2.121 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.571 0.564 -2.604 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.374 -0.943 -2.037 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -13.817 -1.055 -0.380 1.00 0.49 H new ATOM 547 N VAL A 38 -10.663 1.385 -0.954 1.00 0.30 N ATOM 548 CA VAL A 38 -9.979 2.194 -0.001 1.00 0.32 C ATOM 549 C VAL A 38 -10.581 3.583 -0.094 1.00 0.38 C ATOM 550 O VAL A 38 -11.017 3.989 -1.166 1.00 0.52 O ATOM 551 CB VAL A 38 -8.429 2.219 -0.242 1.00 0.37 C ATOM 552 CG1 VAL A 38 -8.033 3.075 -1.420 1.00 0.65 C ATOM 553 CG2 VAL A 38 -7.667 2.630 0.995 1.00 0.79 C ATOM 0 H VAL A 38 -10.255 1.375 -1.889 1.00 0.30 H new ATOM 0 HA VAL A 38 -10.105 1.782 1.000 1.00 0.32 H new ATOM 0 HB VAL A 38 -8.154 1.192 -0.482 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -6.950 3.054 -1.537 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.504 2.690 -2.324 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.359 4.101 -1.250 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.598 2.633 0.780 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -7.979 3.629 1.299 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -7.873 1.925 1.800 1.00 0.79 H new ATOM 563 N ASP A 39 -10.585 4.320 0.987 1.00 0.47 N ATOM 564 CA ASP A 39 -11.207 5.635 0.982 1.00 0.61 C ATOM 565 C ASP A 39 -10.166 6.680 0.591 1.00 0.60 C ATOM 566 O ASP A 39 -10.375 7.865 0.744 1.00 1.08 O ATOM 567 CB ASP A 39 -11.820 5.920 2.366 1.00 0.82 C ATOM 568 CG ASP A 39 -12.739 7.132 2.399 1.00 1.49 C ATOM 569 OD1 ASP A 39 -13.681 7.212 1.583 1.00 1.92 O ATOM 570 OD2 ASP A 39 -12.470 8.076 3.182 1.00 2.28 O ATOM 0 H ASP A 39 -10.171 4.043 1.877 1.00 0.47 H new ATOM 0 HA ASP A 39 -12.014 5.674 0.250 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -12.380 5.043 2.691 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -11.014 6.068 3.085 1.00 0.82 H new ATOM 575 N SER A 40 -9.040 6.173 0.026 1.00 0.38 N ATOM 576 CA SER A 40 -7.842 6.908 -0.419 1.00 0.37 C ATOM 577 C SER A 40 -7.150 7.772 0.668 1.00 0.32 C ATOM 578 O SER A 40 -5.936 7.890 0.678 1.00 0.37 O ATOM 579 CB SER A 40 -8.078 7.646 -1.732 1.00 0.56 C ATOM 580 OG SER A 40 -9.113 8.634 -1.586 1.00 0.75 O ATOM 0 H SER A 40 -8.945 5.171 -0.139 1.00 0.38 H new ATOM 0 HA SER A 40 -7.100 6.136 -0.620 1.00 0.37 H new ATOM 0 HB2 SER A 40 -7.154 8.126 -2.055 1.00 0.56 H new ATOM 0 HB3 SER A 40 -8.356 6.934 -2.509 1.00 0.56 H new ATOM 585 N LEU A 41 -7.912 8.279 1.612 1.00 0.31 N ATOM 586 CA LEU A 41 -7.402 9.069 2.717 1.00 0.32 C ATOM 587 C LEU A 41 -6.711 8.118 3.661 1.00 0.26 C ATOM 588 O LEU A 41 -5.801 8.482 4.401 1.00 0.36 O ATOM 589 CB LEU A 41 -8.563 9.774 3.431 1.00 0.39 C ATOM 590 CG LEU A 41 -9.447 10.673 2.553 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.597 11.247 3.357 1.00 0.86 C ATOM 592 CD2 LEU A 41 -8.634 11.797 1.940 1.00 0.77 C ATOM 0 H LEU A 41 -8.924 8.153 1.636 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.709 9.833 2.365 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -9.195 9.015 3.891 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -8.153 10.380 4.239 1.00 0.39 H new ATOM 0 HG LEU A 41 -9.853 10.058 1.750 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -11.209 11.880 2.715 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -11.206 10.434 3.752 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -10.203 11.840 4.183 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -9.282 12.420 1.323 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -8.196 12.403 2.733 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -7.840 11.377 1.323 1.00 0.77 H new ATOM 604 N SER A 42 -7.121 6.857 3.551 1.00 0.16 N ATOM 605 CA SER A 42 -6.588 5.782 4.282 1.00 0.19 C ATOM 606 C SER A 42 -5.156 5.639 3.901 1.00 0.15 C ATOM 607 O SER A 42 -4.308 5.451 4.734 1.00 0.15 O ATOM 608 CB SER A 42 -7.306 4.514 3.839 1.00 0.30 C ATOM 609 OG SER A 42 -8.711 4.720 3.726 1.00 0.71 O ATOM 0 H SER A 42 -7.867 6.577 2.914 1.00 0.16 H new ATOM 0 HA SER A 42 -6.700 5.946 5.354 1.00 0.19 H new ATOM 0 HB2 SER A 42 -6.907 4.186 2.879 1.00 0.30 H new ATOM 0 HB3 SER A 42 -7.111 3.716 4.555 1.00 0.30 H new ATOM 0 HG SER A 42 -9.185 3.933 4.067 1.00 0.71 H new ATOM 615 N MET A 43 -4.900 5.841 2.615 1.00 0.18 N ATOM 616 CA MET A 43 -3.621 5.574 2.019 1.00 0.21 C ATOM 617 C MET A 43 -2.558 6.448 2.613 1.00 0.18 C ATOM 618 O MET A 43 -1.427 6.049 2.737 1.00 0.21 O ATOM 619 CB MET A 43 -3.677 5.800 0.525 1.00 0.28 C ATOM 620 CG MET A 43 -2.586 5.081 -0.188 1.00 0.39 C ATOM 621 SD MET A 43 -2.765 3.315 0.049 1.00 0.42 S ATOM 622 CE MET A 43 -4.350 3.059 -0.728 1.00 0.34 C ATOM 0 H MET A 43 -5.592 6.200 1.957 1.00 0.18 H new ATOM 0 HA MET A 43 -3.373 4.532 2.220 1.00 0.21 H new ATOM 0 HB2 MET A 43 -4.642 5.465 0.143 1.00 0.28 H new ATOM 0 HB3 MET A 43 -3.605 6.867 0.317 1.00 0.28 H new ATOM 0 HG2 MET A 43 -2.616 5.319 -1.251 1.00 0.39 H new ATOM 0 HG3 MET A 43 -1.616 5.411 0.185 1.00 0.39 H new ATOM 0 HE1 MET A 43 -4.732 2.074 -0.459 1.00 0.34 H new ATOM 0 HE2 MET A 43 -5.049 3.824 -0.390 1.00 0.34 H new ATOM 0 HE3 MET A 43 -4.239 3.121 -1.811 1.00 0.34 H new ATOM 632 N VAL A 44 -2.943 7.613 3.016 1.00 0.19 N ATOM 633 CA VAL A 44 -2.018 8.536 3.585 1.00 0.22 C ATOM 634 C VAL A 44 -1.495 7.998 4.929 1.00 0.20 C ATOM 635 O VAL A 44 -0.299 8.035 5.196 1.00 0.35 O ATOM 636 CB VAL A 44 -2.640 9.941 3.697 1.00 0.34 C ATOM 637 CG1 VAL A 44 -1.655 10.930 4.308 1.00 0.45 C ATOM 638 CG2 VAL A 44 -3.087 10.407 2.304 1.00 0.49 C ATOM 0 H VAL A 44 -3.904 7.951 2.961 1.00 0.19 H new ATOM 0 HA VAL A 44 -1.157 8.639 2.925 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.506 9.895 4.357 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -2.121 11.913 4.375 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -1.373 10.593 5.306 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -0.765 10.992 3.681 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -3.528 11.401 2.377 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -2.225 10.441 1.638 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -3.826 9.711 1.907 1.00 0.49 H new ATOM 648 N GLU A 45 -2.384 7.438 5.732 1.00 0.13 N ATOM 649 CA GLU A 45 -1.977 6.809 6.972 1.00 0.14 C ATOM 650 C GLU A 45 -1.274 5.489 6.635 1.00 0.16 C ATOM 651 O GLU A 45 -0.200 5.187 7.158 1.00 0.25 O ATOM 652 CB GLU A 45 -3.196 6.511 7.838 1.00 0.20 C ATOM 653 CG GLU A 45 -4.065 7.705 8.190 1.00 0.31 C ATOM 654 CD GLU A 45 -3.366 8.695 9.070 1.00 1.00 C ATOM 655 OE1 GLU A 45 -3.100 8.374 10.243 1.00 1.07 O ATOM 656 OE2 GLU A 45 -3.107 9.831 8.627 1.00 1.85 O ATOM 0 H GLU A 45 -3.387 7.407 5.547 1.00 0.13 H new ATOM 0 HA GLU A 45 -1.310 7.477 7.517 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.814 5.776 7.322 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.856 6.048 8.764 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -4.381 8.201 7.272 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -4.968 7.356 8.690 1.00 0.31 H new ATOM 663 N VAL A 46 -1.884 4.744 5.697 1.00 0.15 N ATOM 664 CA VAL A 46 -1.411 3.432 5.277 1.00 0.20 C ATOM 665 C VAL A 46 0.047 3.468 4.816 1.00 0.24 C ATOM 666 O VAL A 46 0.863 2.687 5.289 1.00 0.30 O ATOM 667 CB VAL A 46 -2.316 2.787 4.142 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.732 1.479 3.633 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.715 2.498 4.651 1.00 0.22 C ATOM 0 H VAL A 46 -2.727 5.047 5.210 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.483 2.801 6.163 1.00 0.20 H new ATOM 0 HB VAL A 46 -2.351 3.516 3.333 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.379 1.069 2.858 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.740 1.660 3.219 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.657 0.769 4.457 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -4.310 2.057 3.851 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.661 1.802 5.488 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -4.181 3.427 4.980 1.00 0.22 H new ATOM 679 N VAL A 47 0.391 4.396 3.942 1.00 0.30 N ATOM 680 CA VAL A 47 1.701 4.377 3.352 1.00 0.51 C ATOM 681 C VAL A 47 2.737 4.971 4.269 1.00 0.37 C ATOM 682 O VAL A 47 3.841 4.488 4.300 1.00 0.31 O ATOM 683 CB VAL A 47 1.755 5.012 1.945 1.00 0.91 C ATOM 684 CG1 VAL A 47 3.060 4.684 1.271 1.00 1.49 C ATOM 685 CG2 VAL A 47 0.617 4.524 1.100 1.00 0.96 C ATOM 0 H VAL A 47 -0.213 5.158 3.634 1.00 0.30 H new ATOM 0 HA VAL A 47 1.944 3.324 3.212 1.00 0.51 H new ATOM 0 HB VAL A 47 1.672 6.093 2.059 1.00 0.91 H new ATOM 0 HG11 VAL A 47 3.082 5.139 0.281 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.885 5.073 1.867 1.00 1.49 H new ATOM 0 HG13 VAL A 47 3.159 3.603 1.176 1.00 1.49 H new ATOM 0 HG21 VAL A 47 0.674 4.983 0.113 1.00 0.96 H new ATOM 0 HG22 VAL A 47 0.677 3.440 1.000 1.00 0.96 H new ATOM 0 HG23 VAL A 47 -0.328 4.793 1.572 1.00 0.96 H new ATOM 695 N VAL A 48 2.376 5.962 5.072 1.00 0.39 N ATOM 696 CA VAL A 48 3.333 6.504 6.048 1.00 0.39 C ATOM 697 C VAL A 48 3.701 5.417 7.051 1.00 0.30 C ATOM 698 O VAL A 48 4.868 5.264 7.443 1.00 0.37 O ATOM 699 CB VAL A 48 2.798 7.778 6.765 1.00 0.48 C ATOM 700 CG1 VAL A 48 3.702 8.197 7.922 1.00 0.84 C ATOM 701 CG2 VAL A 48 2.718 8.910 5.770 1.00 0.76 C ATOM 0 H VAL A 48 1.456 6.402 5.076 1.00 0.39 H new ATOM 0 HA VAL A 48 4.227 6.817 5.508 1.00 0.39 H new ATOM 0 HB VAL A 48 1.812 7.548 7.169 1.00 0.48 H new ATOM 0 HG11 VAL A 48 3.295 9.090 8.397 1.00 0.84 H new ATOM 0 HG12 VAL A 48 3.756 7.390 8.652 1.00 0.84 H new ATOM 0 HG13 VAL A 48 4.702 8.411 7.544 1.00 0.84 H new ATOM 0 HG21 VAL A 48 2.344 9.805 6.267 1.00 0.76 H new ATOM 0 HG22 VAL A 48 3.710 9.108 5.364 1.00 0.76 H new ATOM 0 HG23 VAL A 48 2.042 8.635 4.960 1.00 0.76 H new ATOM 711 N ALA A 49 2.720 4.604 7.371 1.00 0.20 N ATOM 712 CA ALA A 49 2.909 3.487 8.268 1.00 0.19 C ATOM 713 C ALA A 49 3.728 2.422 7.546 1.00 0.18 C ATOM 714 O ALA A 49 4.648 1.816 8.116 1.00 0.25 O ATOM 715 CB ALA A 49 1.556 2.934 8.703 1.00 0.22 C ATOM 0 H ALA A 49 1.768 4.699 7.017 1.00 0.20 H new ATOM 0 HA ALA A 49 3.442 3.806 9.164 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.707 2.092 9.379 1.00 0.22 H new ATOM 0 HB2 ALA A 49 0.992 3.714 9.215 1.00 0.22 H new ATOM 0 HB3 ALA A 49 1.001 2.600 7.827 1.00 0.22 H new ATOM 721 N ALA A 50 3.419 2.239 6.274 1.00 0.15 N ATOM 722 CA ALA A 50 4.121 1.303 5.416 1.00 0.18 C ATOM 723 C ALA A 50 5.592 1.688 5.275 1.00 0.18 C ATOM 724 O ALA A 50 6.464 0.836 5.293 1.00 0.20 O ATOM 725 CB ALA A 50 3.468 1.230 4.048 1.00 0.21 C ATOM 0 H ALA A 50 2.666 2.742 5.804 1.00 0.15 H new ATOM 0 HA ALA A 50 4.064 0.319 5.882 1.00 0.18 H new ATOM 0 HB1 ALA A 50 4.012 0.522 3.423 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.435 0.900 4.155 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.488 2.215 3.582 1.00 0.21 H new ATOM 731 N GLU A 51 5.861 2.974 5.171 1.00 0.20 N ATOM 732 CA GLU A 51 7.215 3.479 5.051 1.00 0.23 C ATOM 733 C GLU A 51 8.033 3.081 6.251 1.00 0.24 C ATOM 734 O GLU A 51 9.177 2.690 6.122 1.00 0.29 O ATOM 735 CB GLU A 51 7.258 4.988 4.976 1.00 0.23 C ATOM 736 CG GLU A 51 6.551 5.634 3.813 1.00 0.29 C ATOM 737 CD GLU A 51 6.667 7.134 3.889 1.00 0.36 C ATOM 738 OE1 GLU A 51 5.905 7.751 4.633 1.00 0.59 O ATOM 739 OE2 GLU A 51 7.475 7.732 3.148 1.00 0.73 O ATOM 0 H GLU A 51 5.145 3.701 5.167 1.00 0.20 H new ATOM 0 HA GLU A 51 7.616 3.052 4.132 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.830 5.386 5.896 1.00 0.23 H new ATOM 0 HB3 GLU A 51 8.303 5.297 4.951 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.980 5.278 2.876 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.500 5.345 3.813 1.00 0.29 H new ATOM 746 N GLU A 52 7.405 3.142 7.397 1.00 0.24 N ATOM 747 CA GLU A 52 8.068 2.901 8.662 1.00 0.30 C ATOM 748 C GLU A 52 8.324 1.422 8.893 1.00 0.28 C ATOM 749 O GLU A 52 9.310 1.035 9.514 1.00 0.41 O ATOM 750 CB GLU A 52 7.233 3.497 9.797 1.00 0.41 C ATOM 751 CG GLU A 52 7.118 5.010 9.728 1.00 1.14 C ATOM 752 CD GLU A 52 8.449 5.707 9.898 1.00 1.75 C ATOM 753 OE1 GLU A 52 9.252 5.749 8.943 1.00 2.46 O ATOM 754 OE2 GLU A 52 8.719 6.218 11.003 1.00 2.26 O ATOM 0 H GLU A 52 6.413 3.361 7.484 1.00 0.24 H new ATOM 0 HA GLU A 52 9.042 3.389 8.638 1.00 0.30 H new ATOM 0 HB2 GLU A 52 6.234 3.062 9.771 1.00 0.41 H new ATOM 0 HB3 GLU A 52 7.678 3.217 10.752 1.00 0.41 H new ATOM 0 HG2 GLU A 52 6.684 5.294 8.769 1.00 1.14 H new ATOM 0 HG3 GLU A 52 6.432 5.353 10.502 1.00 1.14 H new ATOM 761 N ARG A 53 7.441 0.605 8.395 1.00 0.21 N ATOM 762 CA ARG A 53 7.556 -0.822 8.578 1.00 0.23 C ATOM 763 C ARG A 53 8.393 -1.481 7.472 1.00 0.23 C ATOM 764 O ARG A 53 9.115 -2.446 7.713 1.00 0.32 O ATOM 765 CB ARG A 53 6.180 -1.445 8.670 1.00 0.25 C ATOM 766 CG ARG A 53 5.361 -1.321 7.420 1.00 0.23 C ATOM 767 CD ARG A 53 4.011 -1.934 7.589 1.00 0.34 C ATOM 768 NE ARG A 53 4.086 -3.356 7.905 1.00 0.86 N ATOM 769 CZ ARG A 53 3.198 -4.000 8.655 1.00 0.84 C ATOM 770 NH1 ARG A 53 2.475 -3.341 9.564 1.00 1.08 N ATOM 771 NH2 ARG A 53 3.127 -5.311 8.602 1.00 1.72 N ATOM 0 H ARG A 53 6.627 0.900 7.855 1.00 0.21 H new ATOM 0 HA ARG A 53 8.085 -0.998 9.515 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.288 -2.501 8.916 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.638 -0.980 9.493 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.254 -0.269 7.157 1.00 0.23 H new ATOM 0 HG3 ARG A 53 5.881 -1.805 6.593 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.475 -1.415 8.384 1.00 0.34 H new ATOM 0 HD3 ARG A 53 3.435 -1.797 6.674 1.00 0.34 H new ATOM 0 HE ARG A 53 4.869 -3.889 7.527 1.00 0.86 H new ATOM 0 HH11 ARG A 53 2.602 -2.336 9.686 1.00 1.08 H new ATOM 0 HH12 ARG A 53 1.795 -3.842 10.136 1.00 1.08 H new ATOM 0 HH21 ARG A 53 3.752 -5.831 7.987 1.00 1.72 H new ATOM 0 HH22 ARG A 53 2.447 -5.809 9.176 1.00 1.72 H new ATOM 785 N PHE A 54 8.290 -0.959 6.267 1.00 0.17 N ATOM 786 CA PHE A 54 9.002 -1.522 5.139 1.00 0.19 C ATOM 787 C PHE A 54 10.358 -0.888 4.966 1.00 0.20 C ATOM 788 O PHE A 54 11.235 -1.455 4.308 1.00 0.28 O ATOM 789 CB PHE A 54 8.165 -1.437 3.849 1.00 0.19 C ATOM 790 CG PHE A 54 6.902 -2.251 3.909 1.00 0.22 C ATOM 791 CD1 PHE A 54 6.944 -3.607 4.143 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.672 -1.653 3.708 1.00 0.27 C ATOM 793 CE1 PHE A 54 5.791 -4.354 4.174 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.516 -2.394 3.740 1.00 0.32 C ATOM 795 CZ PHE A 54 4.579 -3.746 4.065 1.00 0.34 C ATOM 0 H PHE A 54 7.719 -0.144 6.044 1.00 0.17 H new ATOM 0 HA PHE A 54 9.167 -2.578 5.351 1.00 0.19 H new ATOM 0 HB2 PHE A 54 7.909 -0.395 3.657 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.769 -1.777 3.008 1.00 0.19 H new ATOM 0 HD1 PHE A 54 7.896 -4.090 4.304 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.619 -0.590 3.524 1.00 0.27 H new ATOM 0 HE1 PHE A 54 5.847 -5.427 4.285 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.566 -1.932 3.515 1.00 0.32 H new ATOM 0 HZ PHE A 54 3.672 -4.308 4.230 1.00 0.34 H new ATOM 805 N ASP A 55 10.513 0.308 5.543 1.00 0.19 N ATOM 806 CA ASP A 55 11.767 1.099 5.511 1.00 0.26 C ATOM 807 C ASP A 55 12.121 1.498 4.065 1.00 0.29 C ATOM 808 O ASP A 55 13.190 2.012 3.778 1.00 0.47 O ATOM 809 CB ASP A 55 12.920 0.319 6.201 1.00 0.36 C ATOM 810 CG ASP A 55 14.179 1.137 6.430 1.00 0.93 C ATOM 811 OD1 ASP A 55 14.187 1.991 7.329 1.00 1.06 O ATOM 812 OD2 ASP A 55 15.203 0.909 5.750 1.00 1.56 O ATOM 0 H ASP A 55 9.762 0.770 6.057 1.00 0.19 H new ATOM 0 HA ASP A 55 11.617 2.021 6.072 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.565 -0.057 7.161 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.171 -0.549 5.592 1.00 0.36 H new ATOM 817 N VAL A 56 11.174 1.321 3.165 1.00 0.22 N ATOM 818 CA VAL A 56 11.414 1.602 1.759 1.00 0.29 C ATOM 819 C VAL A 56 11.062 3.048 1.437 1.00 0.25 C ATOM 820 O VAL A 56 11.762 3.718 0.679 1.00 0.34 O ATOM 821 CB VAL A 56 10.620 0.626 0.836 1.00 0.42 C ATOM 822 CG1 VAL A 56 9.133 0.685 1.110 1.00 0.93 C ATOM 823 CG2 VAL A 56 10.892 0.911 -0.620 1.00 1.16 C ATOM 0 H VAL A 56 10.235 0.986 3.378 1.00 0.22 H new ATOM 0 HA VAL A 56 12.476 1.448 1.566 1.00 0.29 H new ATOM 0 HB VAL A 56 10.967 -0.382 1.064 1.00 0.42 H new ATOM 0 HG11 VAL A 56 8.613 -0.008 0.448 1.00 0.93 H new ATOM 0 HG12 VAL A 56 8.943 0.408 2.147 1.00 0.93 H new ATOM 0 HG13 VAL A 56 8.770 1.697 0.932 1.00 0.93 H new ATOM 0 HG21 VAL A 56 10.325 0.215 -1.239 1.00 1.16 H new ATOM 0 HG22 VAL A 56 10.591 1.932 -0.853 1.00 1.16 H new ATOM 0 HG23 VAL A 56 11.957 0.791 -0.821 1.00 1.16 H new ATOM 833 N LYS A 57 9.999 3.510 2.067 1.00 0.20 N ATOM 834 CA LYS A 57 9.452 4.845 1.855 1.00 0.23 C ATOM 835 C LYS A 57 8.801 5.067 0.506 1.00 0.22 C ATOM 836 O LYS A 57 9.437 4.998 -0.546 1.00 0.31 O ATOM 837 CB LYS A 57 10.423 5.981 2.179 1.00 0.33 C ATOM 838 CG LYS A 57 10.311 6.468 3.590 1.00 0.72 C ATOM 839 CD LYS A 57 10.912 5.525 4.611 1.00 1.20 C ATOM 840 CE LYS A 57 10.701 6.056 6.027 1.00 1.08 C ATOM 841 NZ LYS A 57 11.131 7.475 6.166 1.00 1.48 N ATOM 0 H LYS A 57 9.479 2.962 2.753 1.00 0.20 H new ATOM 0 HA LYS A 57 8.650 4.881 2.592 1.00 0.23 H new ATOM 0 HB2 LYS A 57 11.443 5.641 1.999 1.00 0.33 H new ATOM 0 HB3 LYS A 57 10.239 6.813 1.499 1.00 0.33 H new ATOM 0 HG2 LYS A 57 10.803 7.437 3.670 1.00 0.72 H new ATOM 0 HG3 LYS A 57 9.259 6.624 3.828 1.00 0.72 H new ATOM 0 HD2 LYS A 57 10.456 4.539 4.515 1.00 1.20 H new ATOM 0 HD3 LYS A 57 11.978 5.404 4.418 1.00 1.20 H new ATOM 0 HE2 LYS A 57 9.647 5.970 6.292 1.00 1.08 H new ATOM 0 HE3 LYS A 57 11.258 5.439 6.731 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 11.195 7.721 7.174 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 12.061 7.601 5.719 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 10.437 8.095 5.702 1.00 1.48 H new ATOM 855 N ILE A 58 7.518 5.282 0.554 1.00 0.18 N ATOM 856 CA ILE A 58 6.759 5.685 -0.595 1.00 0.20 C ATOM 857 C ILE A 58 5.933 6.850 -0.133 1.00 0.22 C ATOM 858 O ILE A 58 5.184 6.714 0.822 1.00 0.34 O ATOM 859 CB ILE A 58 5.734 4.613 -1.132 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.293 3.192 -1.120 1.00 0.25 C ATOM 861 CG2 ILE A 58 5.221 4.984 -2.530 1.00 0.28 C ATOM 862 CD1 ILE A 58 6.241 2.540 0.248 1.00 0.52 C ATOM 0 H ILE A 58 6.962 5.181 1.403 1.00 0.18 H new ATOM 0 HA ILE A 58 7.465 5.879 -1.403 1.00 0.20 H new ATOM 0 HB ILE A 58 4.893 4.624 -0.438 1.00 0.22 H new ATOM 0 HG12 ILE A 58 5.731 2.582 -1.827 1.00 0.25 H new ATOM 0 HG13 ILE A 58 7.326 3.212 -1.466 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.517 4.226 -2.872 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.721 5.952 -2.489 1.00 0.28 H new ATOM 0 HG23 ILE A 58 6.061 5.038 -3.223 1.00 0.28 H new ATOM 0 HD11 ILE A 58 6.653 1.533 0.187 1.00 0.52 H new ATOM 0 HD12 ILE A 58 6.826 3.129 0.954 1.00 0.52 H new ATOM 0 HD13 ILE A 58 5.207 2.489 0.588 1.00 0.52 H new ATOM 874 N PRO A 59 6.093 8.010 -0.698 1.00 0.23 N ATOM 875 CA PRO A 59 5.209 9.108 -0.391 1.00 0.25 C ATOM 876 C PRO A 59 3.862 8.811 -1.027 1.00 0.19 C ATOM 877 O PRO A 59 3.822 8.205 -2.103 1.00 0.19 O ATOM 878 CB PRO A 59 5.862 10.304 -1.090 1.00 0.34 C ATOM 879 CG PRO A 59 7.236 9.855 -1.443 1.00 0.41 C ATOM 880 CD PRO A 59 7.148 8.379 -1.640 1.00 0.34 C ATOM 0 HA PRO A 59 5.060 9.280 0.675 1.00 0.25 H new ATOM 0 HB2 PRO A 59 5.302 10.592 -1.980 1.00 0.34 H new ATOM 0 HB3 PRO A 59 5.890 11.175 -0.435 1.00 0.34 H new ATOM 0 HG2 PRO A 59 7.587 10.349 -2.349 1.00 0.41 H new ATOM 0 HG3 PRO A 59 7.943 10.101 -0.651 1.00 0.41 H new ATOM 0 HD2 PRO A 59 6.888 8.119 -2.666 1.00 0.34 H new ATOM 0 HD3 PRO A 59 8.090 7.880 -1.414 1.00 0.34 H new ATOM 888 N ASP A 60 2.762 9.188 -0.397 1.00 0.21 N ATOM 889 CA ASP A 60 1.442 8.954 -1.002 1.00 0.26 C ATOM 890 C ASP A 60 1.295 9.699 -2.352 1.00 0.25 C ATOM 891 O ASP A 60 0.423 9.390 -3.149 1.00 0.35 O ATOM 892 CB ASP A 60 0.265 9.268 -0.052 1.00 0.36 C ATOM 893 CG ASP A 60 -0.010 10.734 0.110 1.00 0.65 C ATOM 894 OD1 ASP A 60 0.811 11.433 0.738 1.00 0.88 O ATOM 895 OD2 ASP A 60 -1.062 11.201 -0.358 1.00 0.95 O ATOM 0 H ASP A 60 2.744 9.648 0.513 1.00 0.21 H new ATOM 0 HA ASP A 60 1.390 7.883 -1.198 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.634 8.779 -0.428 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.476 8.837 0.927 1.00 0.36 H new ATOM 900 N ASP A 61 2.181 10.646 -2.619 1.00 0.22 N ATOM 901 CA ASP A 61 2.200 11.312 -3.919 1.00 0.26 C ATOM 902 C ASP A 61 2.902 10.427 -4.957 1.00 0.27 C ATOM 903 O ASP A 61 2.643 10.514 -6.124 1.00 0.33 O ATOM 904 CB ASP A 61 2.852 12.697 -3.847 1.00 0.36 C ATOM 905 CG ASP A 61 2.770 13.446 -5.168 1.00 0.75 C ATOM 906 OD1 ASP A 61 1.651 13.841 -5.582 1.00 0.81 O ATOM 907 OD2 ASP A 61 3.817 13.677 -5.808 1.00 1.16 O ATOM 0 H ASP A 61 2.891 10.971 -1.963 1.00 0.22 H new ATOM 0 HA ASP A 61 1.166 11.465 -4.228 1.00 0.26 H new ATOM 0 HB2 ASP A 61 2.365 13.285 -3.069 1.00 0.36 H new ATOM 0 HB3 ASP A 61 3.897 12.589 -3.558 1.00 0.36 H new ATOM 912 N ASP A 62 3.777 9.560 -4.515 1.00 0.25 N ATOM 913 CA ASP A 62 4.424 8.604 -5.444 1.00 0.28 C ATOM 914 C ASP A 62 3.550 7.378 -5.553 1.00 0.26 C ATOM 915 O ASP A 62 3.449 6.738 -6.600 1.00 0.36 O ATOM 916 CB ASP A 62 5.844 8.217 -4.996 1.00 0.33 C ATOM 917 CG ASP A 62 6.542 7.296 -5.986 1.00 0.89 C ATOM 918 OD1 ASP A 62 6.480 7.554 -7.207 1.00 1.58 O ATOM 919 OD2 ASP A 62 7.113 6.270 -5.573 1.00 1.58 O ATOM 0 H ASP A 62 4.069 9.478 -3.541 1.00 0.25 H new ATOM 0 HA ASP A 62 4.530 9.085 -6.416 1.00 0.28 H new ATOM 0 HB2 ASP A 62 6.439 9.121 -4.866 1.00 0.33 H new ATOM 0 HB3 ASP A 62 5.793 7.727 -4.024 1.00 0.33 H new ATOM 924 N VAL A 63 2.855 7.116 -4.457 1.00 0.21 N ATOM 925 CA VAL A 63 1.946 5.997 -4.284 1.00 0.25 C ATOM 926 C VAL A 63 0.817 5.987 -5.322 1.00 0.24 C ATOM 927 O VAL A 63 0.188 4.978 -5.548 1.00 0.26 O ATOM 928 CB VAL A 63 1.416 5.872 -2.817 1.00 0.40 C ATOM 929 CG1 VAL A 63 -0.007 6.383 -2.621 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.569 4.470 -2.319 1.00 0.73 C ATOM 0 H VAL A 63 2.913 7.706 -3.627 1.00 0.21 H new ATOM 0 HA VAL A 63 2.535 5.099 -4.470 1.00 0.25 H new ATOM 0 HB VAL A 63 2.039 6.533 -2.215 1.00 0.40 H new ATOM 0 HG11 VAL A 63 -0.297 6.260 -1.578 1.00 0.51 H new ATOM 0 HG12 VAL A 63 -0.055 7.438 -2.889 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.688 5.816 -3.256 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.195 4.404 -1.297 1.00 0.73 H new ATOM 0 HG22 VAL A 63 1.002 3.793 -2.958 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.622 4.190 -2.338 1.00 0.73 H new ATOM 940 N LYS A 64 0.559 7.142 -5.924 1.00 0.29 N ATOM 941 CA LYS A 64 -0.439 7.273 -6.975 1.00 0.37 C ATOM 942 C LYS A 64 -0.127 6.354 -8.147 1.00 0.34 C ATOM 943 O LYS A 64 -1.021 5.864 -8.832 1.00 0.42 O ATOM 944 CB LYS A 64 -0.549 8.714 -7.481 1.00 0.51 C ATOM 945 CG LYS A 64 0.696 9.253 -8.158 1.00 0.58 C ATOM 946 CD LYS A 64 0.520 10.696 -8.608 1.00 0.72 C ATOM 947 CE LYS A 64 0.277 11.619 -7.418 1.00 0.61 C ATOM 948 NZ LYS A 64 0.291 13.047 -7.770 1.00 0.87 N ATOM 0 H LYS A 64 1.037 8.014 -5.696 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.393 6.985 -6.534 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.381 8.774 -8.183 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -0.795 9.361 -6.639 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.540 9.188 -7.471 1.00 0.58 H new ATOM 0 HG3 LYS A 64 0.938 8.631 -9.020 1.00 0.58 H new ATOM 0 HD2 LYS A 64 1.408 11.022 -9.149 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -0.318 10.764 -9.301 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -0.685 11.373 -6.968 1.00 0.61 H new ATOM 0 HE3 LYS A 64 1.039 11.432 -6.662 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 0.895 13.564 -7.099 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 0.665 13.163 -8.733 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -0.677 13.425 -7.727 1.00 0.87 H new ATOM 962 N ASN A 65 1.149 6.105 -8.349 1.00 0.30 N ATOM 963 CA ASN A 65 1.603 5.239 -9.421 1.00 0.36 C ATOM 964 C ASN A 65 1.365 3.813 -9.038 1.00 0.34 C ATOM 965 O ASN A 65 1.433 2.925 -9.868 1.00 0.56 O ATOM 966 CB ASN A 65 3.106 5.427 -9.710 1.00 0.49 C ATOM 967 CG ASN A 65 3.460 6.811 -10.195 1.00 0.64 C ATOM 968 OD1 ASN A 65 3.424 7.090 -11.394 1.00 1.09 O ATOM 969 ND2 ASN A 65 3.846 7.666 -9.287 1.00 0.67 N ATOM 0 H ASN A 65 1.900 6.494 -7.779 1.00 0.30 H new ATOM 0 HA ASN A 65 1.044 5.500 -10.319 1.00 0.36 H new ATOM 0 HB2 ASN A 65 3.671 5.214 -8.803 1.00 0.49 H new ATOM 0 HB3 ASN A 65 3.417 4.698 -10.458 1.00 0.49 H new ATOM 0 HD21 ASN A 65 4.133 8.606 -9.561 1.00 0.67 H new ATOM 0 HD22 ASN A 65 3.861 7.394 -8.304 1.00 0.67 H new ATOM 976 N LEU A 66 1.018 3.610 -7.787 1.00 0.22 N ATOM 977 CA LEU A 66 0.888 2.289 -7.233 1.00 0.23 C ATOM 978 C LEU A 66 -0.548 2.008 -6.927 1.00 0.37 C ATOM 979 O LEU A 66 -0.827 1.359 -5.960 1.00 0.89 O ATOM 980 CB LEU A 66 1.650 2.186 -5.923 1.00 0.25 C ATOM 981 CG LEU A 66 3.099 2.671 -5.893 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.644 2.584 -4.490 1.00 0.41 C ATOM 983 CD2 LEU A 66 3.975 1.888 -6.839 1.00 0.31 C ATOM 0 H LEU A 66 0.818 4.361 -7.126 1.00 0.22 H new ATOM 0 HA LEU A 66 1.282 1.581 -7.962 1.00 0.23 H new ATOM 0 HB2 LEU A 66 1.095 2.746 -5.170 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.642 1.141 -5.614 1.00 0.25 H new ATOM 0 HG LEU A 66 3.106 3.710 -6.223 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.677 2.932 -4.479 1.00 0.41 H new ATOM 0 HD12 LEU A 66 3.044 3.208 -3.827 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.606 1.550 -4.148 1.00 0.41 H new ATOM 0 HD21 LEU A 66 4.996 2.265 -6.786 1.00 0.31 H new ATOM 0 HD22 LEU A 66 3.962 0.835 -6.559 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.600 1.997 -7.857 1.00 0.31 H new ATOM 995 N LYS A 67 -1.443 2.488 -7.776 1.00 0.26 N ATOM 996 CA LYS A 67 -2.918 2.283 -7.629 1.00 0.30 C ATOM 997 C LYS A 67 -3.333 0.836 -7.218 1.00 0.36 C ATOM 998 O LYS A 67 -4.436 0.623 -6.691 1.00 0.72 O ATOM 999 CB LYS A 67 -3.663 2.647 -8.920 1.00 0.45 C ATOM 1000 CG LYS A 67 -3.172 1.879 -10.141 1.00 1.06 C ATOM 1001 CD LYS A 67 -4.263 1.716 -11.200 1.00 1.55 C ATOM 1002 CE LYS A 67 -4.779 3.041 -11.749 1.00 1.97 C ATOM 1003 NZ LYS A 67 -5.881 2.828 -12.719 1.00 2.81 N ATOM 0 H LYS A 67 -1.189 3.036 -8.598 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.200 2.950 -6.814 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -4.727 2.454 -8.783 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -3.554 3.716 -9.104 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -2.320 2.400 -10.577 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -2.819 0.895 -9.831 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -3.873 1.118 -12.023 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -5.096 1.161 -10.770 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -5.130 3.666 -10.928 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -3.964 3.579 -12.233 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -6.212 3.747 -13.076 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -5.538 2.252 -13.514 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -6.667 2.336 -12.249 1.00 2.81 H new ATOM 1017 N THR A 68 -2.498 -0.150 -7.506 1.00 0.21 N ATOM 1018 CA THR A 68 -2.781 -1.493 -7.114 1.00 0.19 C ATOM 1019 C THR A 68 -1.832 -1.956 -6.027 1.00 0.18 C ATOM 1020 O THR A 68 -0.715 -1.442 -5.901 1.00 0.25 O ATOM 1021 CB THR A 68 -2.720 -2.477 -8.284 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.454 -2.377 -8.946 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.828 -2.244 -9.271 1.00 0.22 C ATOM 0 H THR A 68 -1.620 -0.030 -8.012 1.00 0.21 H new ATOM 0 HA THR A 68 -3.802 -1.484 -6.733 1.00 0.19 H new ATOM 0 HB THR A 68 -2.843 -3.480 -7.874 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.424 -3.012 -9.692 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.747 -2.964 -10.085 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.790 -2.365 -8.773 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.752 -1.233 -9.672 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.242 -2.971 -5.283 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.407 -3.507 -4.207 1.00 0.14 C ATOM 1033 C VAL A 69 -0.080 -4.009 -4.751 1.00 0.16 C ATOM 1034 O VAL A 69 0.983 -3.755 -4.190 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.076 -4.679 -3.510 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.259 -5.064 -2.328 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.486 -4.359 -3.100 1.00 0.15 C ATOM 0 H VAL A 69 -3.140 -3.441 -5.399 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.254 -2.690 -3.502 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.135 -5.513 -4.209 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.729 -5.905 -1.819 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.259 -5.351 -2.654 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.189 -4.219 -1.643 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -3.926 -5.225 -2.605 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.482 -3.512 -2.414 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.074 -4.108 -3.983 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.160 -4.700 -5.844 1.00 0.17 N ATOM 1048 CA GLY A 70 0.984 -5.318 -6.450 1.00 0.20 C ATOM 1049 C GLY A 70 1.904 -4.325 -7.058 1.00 0.16 C ATOM 1050 O GLY A 70 3.063 -4.619 -7.288 1.00 0.17 O ATOM 0 H GLY A 70 -1.032 -4.855 -6.350 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.522 -5.897 -5.699 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.652 -6.019 -7.216 1.00 0.20 H new ATOM 1054 N ASP A 71 1.403 -3.141 -7.297 1.00 0.15 N ATOM 1055 CA ASP A 71 2.214 -2.104 -7.857 1.00 0.16 C ATOM 1056 C ASP A 71 3.033 -1.525 -6.749 1.00 0.14 C ATOM 1057 O ASP A 71 4.232 -1.314 -6.892 1.00 0.15 O ATOM 1058 CB ASP A 71 1.380 -1.022 -8.434 1.00 0.21 C ATOM 1059 CG ASP A 71 2.091 -0.354 -9.573 1.00 0.31 C ATOM 1060 OD1 ASP A 71 2.952 0.477 -9.355 1.00 0.46 O ATOM 1061 OD2 ASP A 71 1.817 -0.719 -10.732 1.00 0.62 O ATOM 0 H ASP A 71 0.436 -2.876 -7.111 1.00 0.15 H new ATOM 0 HA ASP A 71 2.834 -2.522 -8.650 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.432 -1.433 -8.782 1.00 0.21 H new ATOM 0 HB3 ASP A 71 1.146 -0.287 -7.664 1.00 0.21 H new ATOM 1066 N ALA A 72 2.374 -1.295 -5.610 1.00 0.15 N ATOM 1067 CA ALA A 72 3.054 -0.863 -4.395 1.00 0.16 C ATOM 1068 C ALA A 72 4.113 -1.859 -4.077 1.00 0.15 C ATOM 1069 O ALA A 72 5.275 -1.525 -3.949 1.00 0.17 O ATOM 1070 CB ALA A 72 2.086 -0.841 -3.261 1.00 0.21 C ATOM 0 H ALA A 72 1.365 -1.403 -5.508 1.00 0.15 H new ATOM 0 HA ALA A 72 3.476 0.131 -4.542 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.596 -0.518 -2.353 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.275 -0.148 -3.488 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.678 -1.841 -3.111 1.00 0.21 H new ATOM 1076 N THR A 73 3.698 -3.106 -4.049 1.00 0.14 N ATOM 1077 CA THR A 73 4.546 -4.231 -3.763 1.00 0.16 C ATOM 1078 C THR A 73 5.708 -4.333 -4.784 1.00 0.18 C ATOM 1079 O THR A 73 6.755 -4.864 -4.480 1.00 0.28 O ATOM 1080 CB THR A 73 3.694 -5.534 -3.756 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.604 -5.378 -2.839 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.498 -6.741 -3.327 1.00 0.19 C ATOM 0 H THR A 73 2.729 -3.368 -4.231 1.00 0.14 H new ATOM 0 HA THR A 73 4.993 -4.092 -2.779 1.00 0.16 H new ATOM 0 HB THR A 73 3.341 -5.698 -4.774 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.824 -5.025 -3.315 1.00 0.19 H new ATOM 0 HG21 THR A 73 3.861 -7.625 -3.338 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.332 -6.886 -4.014 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.882 -6.583 -2.319 1.00 0.19 H new ATOM 1090 N LYS A 74 5.539 -3.738 -5.950 1.00 0.15 N ATOM 1091 CA LYS A 74 6.543 -3.797 -6.983 1.00 0.18 C ATOM 1092 C LYS A 74 7.662 -2.833 -6.620 1.00 0.18 C ATOM 1093 O LYS A 74 8.837 -3.170 -6.684 1.00 0.26 O ATOM 1094 CB LYS A 74 5.946 -3.387 -8.325 1.00 0.23 C ATOM 1095 CG LYS A 74 6.613 -4.019 -9.525 1.00 0.39 C ATOM 1096 CD LYS A 74 6.236 -5.493 -9.636 1.00 1.21 C ATOM 1097 CE LYS A 74 4.727 -5.671 -9.885 1.00 1.65 C ATOM 1098 NZ LYS A 74 4.297 -5.011 -11.141 1.00 2.01 N ATOM 0 H LYS A 74 4.707 -3.205 -6.202 1.00 0.15 H new ATOM 0 HA LYS A 74 6.923 -4.815 -7.064 1.00 0.18 H new ATOM 0 HB2 LYS A 74 4.888 -3.649 -8.333 1.00 0.23 H new ATOM 0 HB3 LYS A 74 6.007 -2.303 -8.420 1.00 0.23 H new ATOM 0 HG2 LYS A 74 6.315 -3.493 -10.432 1.00 0.39 H new ATOM 0 HG3 LYS A 74 7.695 -3.920 -9.440 1.00 0.39 H new ATOM 0 HD2 LYS A 74 6.797 -5.953 -10.449 1.00 1.21 H new ATOM 0 HD3 LYS A 74 6.519 -6.012 -8.720 1.00 1.21 H new ATOM 0 HE2 LYS A 74 4.489 -6.734 -9.932 1.00 1.65 H new ATOM 0 HE3 LYS A 74 4.168 -5.256 -9.046 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 3.346 -5.343 -11.400 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 4.278 -3.980 -11.003 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 4.965 -5.246 -11.903 1.00 2.01 H new ATOM 1112 N TYR A 75 7.279 -1.631 -6.221 1.00 0.15 N ATOM 1113 CA TYR A 75 8.214 -0.616 -5.820 1.00 0.16 C ATOM 1114 C TYR A 75 8.832 -0.977 -4.476 1.00 0.16 C ATOM 1115 O TYR A 75 10.049 -0.938 -4.297 1.00 0.18 O ATOM 1116 CB TYR A 75 7.477 0.728 -5.731 1.00 0.22 C ATOM 1117 CG TYR A 75 8.315 1.868 -5.214 1.00 0.26 C ATOM 1118 CD1 TYR A 75 9.440 2.279 -5.890 1.00 0.49 C ATOM 1119 CD2 TYR A 75 7.972 2.538 -4.051 1.00 0.32 C ATOM 1120 CE1 TYR A 75 10.209 3.319 -5.432 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.736 3.584 -3.583 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.860 3.973 -4.278 1.00 0.44 C ATOM 1123 OH TYR A 75 10.640 5.032 -3.821 1.00 0.50 O ATOM 0 H TYR A 75 6.303 -1.340 -6.169 1.00 0.15 H new ATOM 0 HA TYR A 75 9.017 -0.541 -6.553 1.00 0.16 H new ATOM 0 HB2 TYR A 75 7.103 0.989 -6.721 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.609 0.609 -5.083 1.00 0.22 H new ATOM 0 HD1 TYR A 75 9.724 1.772 -6.801 1.00 0.49 H new ATOM 0 HD2 TYR A 75 7.092 2.235 -3.503 1.00 0.32 H new ATOM 0 HE1 TYR A 75 11.089 3.623 -5.980 1.00 0.56 H new ATOM 0 HE2 TYR A 75 8.455 4.097 -2.675 1.00 0.37 H new ATOM 0 HH TYR A 75 10.256 5.387 -2.992 1.00 0.50 H new ATOM 1133 N ILE A 76 7.979 -1.369 -3.565 1.00 0.16 N ATOM 1134 CA ILE A 76 8.348 -1.684 -2.213 1.00 0.18 C ATOM 1135 C ILE A 76 9.304 -2.889 -2.134 1.00 0.21 C ATOM 1136 O ILE A 76 10.293 -2.829 -1.434 1.00 0.32 O ATOM 1137 CB ILE A 76 7.072 -1.894 -1.331 1.00 0.18 C ATOM 1138 CG1 ILE A 76 6.262 -0.596 -1.273 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.417 -2.369 0.076 1.00 0.28 C ATOM 1140 CD1 ILE A 76 4.950 -0.702 -0.524 1.00 0.21 C ATOM 0 H ILE A 76 6.982 -1.480 -3.750 1.00 0.16 H new ATOM 0 HA ILE A 76 8.899 -0.832 -1.814 1.00 0.18 H new ATOM 0 HB ILE A 76 6.473 -2.677 -1.795 1.00 0.18 H new ATOM 0 HG12 ILE A 76 6.872 0.176 -0.803 1.00 0.20 H new ATOM 0 HG13 ILE A 76 6.058 -0.265 -2.291 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.500 -2.501 0.651 1.00 0.28 H new ATOM 0 HG22 ILE A 76 7.949 -3.319 0.019 1.00 0.28 H new ATOM 0 HG23 ILE A 76 8.049 -1.628 0.566 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.446 0.264 -0.535 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.316 -1.447 -1.004 1.00 0.21 H new ATOM 0 HD13 ILE A 76 5.143 -0.999 0.507 1.00 0.21 H new ATOM 1152 N LEU A 77 9.017 -3.960 -2.870 1.00 0.19 N ATOM 1153 CA LEU A 77 9.840 -5.180 -2.803 1.00 0.23 C ATOM 1154 C LEU A 77 11.196 -4.955 -3.480 1.00 0.29 C ATOM 1155 O LEU A 77 12.243 -5.345 -2.950 1.00 0.34 O ATOM 1156 CB LEU A 77 9.086 -6.373 -3.438 1.00 0.23 C ATOM 1157 CG LEU A 77 9.647 -7.797 -3.230 1.00 0.34 C ATOM 1158 CD1 LEU A 77 8.577 -8.807 -3.586 1.00 0.92 C ATOM 1159 CD2 LEU A 77 10.872 -8.061 -4.093 1.00 0.87 C ATOM 0 H LEU A 77 8.230 -4.015 -3.516 1.00 0.19 H new ATOM 0 HA LEU A 77 10.028 -5.418 -1.756 1.00 0.23 H new ATOM 0 HB2 LEU A 77 8.065 -6.360 -3.056 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.027 -6.194 -4.512 1.00 0.23 H new ATOM 0 HG LEU A 77 9.943 -7.888 -2.185 1.00 0.34 H new ATOM 0 HD11 LEU A 77 8.966 -9.815 -3.442 1.00 0.92 H new ATOM 0 HD12 LEU A 77 7.708 -8.658 -2.945 1.00 0.92 H new ATOM 0 HD13 LEU A 77 8.286 -8.676 -4.628 1.00 0.92 H new ATOM 0 HD21 LEU A 77 11.232 -9.074 -3.914 1.00 0.87 H new ATOM 0 HD22 LEU A 77 10.607 -7.951 -5.145 1.00 0.87 H new ATOM 0 HD23 LEU A 77 11.656 -7.347 -3.840 1.00 0.87 H new ATOM 1171 N ASP A 78 11.170 -4.312 -4.632 1.00 0.33 N ATOM 1172 CA ASP A 78 12.393 -4.034 -5.415 1.00 0.41 C ATOM 1173 C ASP A 78 13.351 -3.136 -4.646 1.00 0.45 C ATOM 1174 O ASP A 78 14.565 -3.244 -4.763 1.00 0.53 O ATOM 1175 CB ASP A 78 12.018 -3.380 -6.751 1.00 0.43 C ATOM 1176 CG ASP A 78 13.209 -2.954 -7.580 1.00 0.52 C ATOM 1177 OD1 ASP A 78 13.881 -3.816 -8.171 1.00 0.68 O ATOM 1178 OD2 ASP A 78 13.471 -1.742 -7.689 1.00 0.54 O ATOM 0 H ASP A 78 10.314 -3.963 -5.063 1.00 0.33 H new ATOM 0 HA ASP A 78 12.898 -4.981 -5.603 1.00 0.41 H new ATOM 0 HB2 ASP A 78 11.416 -4.080 -7.331 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.394 -2.508 -6.555 1.00 0.43 H new ATOM 1183 N HIS A 79 12.787 -2.292 -3.826 1.00 0.41 N ATOM 1184 CA HIS A 79 13.533 -1.325 -3.048 1.00 0.47 C ATOM 1185 C HIS A 79 13.708 -1.741 -1.590 1.00 0.52 C ATOM 1186 O HIS A 79 14.197 -0.954 -0.774 1.00 0.74 O ATOM 1187 CB HIS A 79 12.904 0.052 -3.155 1.00 0.47 C ATOM 1188 CG HIS A 79 13.184 0.762 -4.434 1.00 0.52 C ATOM 1189 ND1 HIS A 79 14.031 1.832 -4.519 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.711 0.565 -5.684 1.00 0.53 C ATOM 1191 CE1 HIS A 79 14.073 2.259 -5.754 1.00 0.79 C ATOM 1192 NE2 HIS A 79 13.281 1.510 -6.484 1.00 0.67 N ATOM 0 H HIS A 79 11.779 -2.251 -3.673 1.00 0.41 H new ATOM 0 HA HIS A 79 14.535 -1.284 -3.475 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.825 -0.045 -3.037 1.00 0.47 H new ATOM 0 HB3 HIS A 79 13.261 0.666 -2.328 1.00 0.47 H new ATOM 0 HD2 HIS A 79 12.012 -0.198 -5.992 1.00 0.53 H new ATOM 0 HE1 HIS A 79 14.662 3.090 -6.113 1.00 0.79 H new ATOM 0 HE2 HIS A 79 13.119 1.617 -7.485 1.00 0.67 H new ATOM 1201 N GLN A 80 13.281 -2.960 -1.268 1.00 0.47 N ATOM 1202 CA GLN A 80 13.337 -3.513 0.102 1.00 0.52 C ATOM 1203 C GLN A 80 14.658 -3.352 0.805 1.00 0.62 C ATOM 1204 O GLN A 80 15.727 -3.270 0.193 1.00 0.89 O ATOM 1205 CB GLN A 80 12.965 -4.988 0.133 1.00 0.64 C ATOM 1206 CG GLN A 80 11.496 -5.232 0.148 1.00 0.53 C ATOM 1207 CD GLN A 80 10.864 -4.757 1.422 1.00 0.58 C ATOM 1208 OE1 GLN A 80 11.474 -4.794 2.487 1.00 1.07 O ATOM 1209 NE2 GLN A 80 9.690 -4.252 1.323 1.00 0.53 N ATOM 0 H GLN A 80 12.881 -3.605 -1.950 1.00 0.47 H new ATOM 0 HA GLN A 80 12.605 -2.912 0.642 1.00 0.52 H new ATOM 0 HB2 GLN A 80 13.398 -5.482 -0.737 1.00 0.64 H new ATOM 0 HB3 GLN A 80 13.410 -5.448 1.015 1.00 0.64 H new ATOM 0 HG2 GLN A 80 11.035 -4.723 -0.698 1.00 0.53 H new ATOM 0 HG3 GLN A 80 11.304 -6.297 0.022 1.00 0.53 H new ATOM 0 HE21 GLN A 80 9.215 -4.239 0.421 1.00 0.53 H new ATOM 0 HE22 GLN A 80 9.231 -3.863 2.147 1.00 0.53 H new ATOM 1218 N ALA A 81 14.567 -3.356 2.094 1.00 0.73 N ATOM 1219 CA ALA A 81 15.686 -3.260 2.952 1.00 0.89 C ATOM 1220 C ALA A 81 15.673 -4.486 3.831 1.00 1.93 C ATOM 1221 O ALA A 81 16.273 -5.504 3.445 1.00 2.48 O ATOM 1222 CB ALA A 81 15.593 -1.992 3.777 1.00 1.57 C ATOM 1223 OXT ALA A 81 14.978 -4.472 4.865 1.00 2.75 O ATOM 0 H ALA A 81 13.678 -3.429 2.589 1.00 0.73 H new ATOM 0 HA ALA A 81 16.618 -3.212 2.389 1.00 0.89 H new ATOM 0 HB1 ALA A 81 16.458 -1.923 4.437 1.00 1.57 H new ATOM 0 HB2 ALA A 81 15.572 -1.127 3.114 1.00 1.57 H new ATOM 0 HB3 ALA A 81 14.682 -2.013 4.375 1.00 1.57 H new TER 1229 ALA A 81 HETATM 1230 P24 SXH A 101 -8.988 9.988 -2.385 1.00 0.86 P HETATM 1231 O26 SXH A 101 -10.249 10.732 -2.179 1.00 1.13 O HETATM 1232 O23 SXH A 101 -8.561 9.671 -3.777 1.00 1.10 O HETATM 1233 O27 SXH A 101 -7.824 10.856 -1.707 1.00 0.87 O HETATM 1234 C28 SXH A 101 -6.399 10.415 -1.789 1.00 0.52 C HETATM 1235 C29 SXH A 101 -5.448 11.565 -1.373 1.00 0.73 C HETATM 1236 C30 SXH A 101 -5.908 12.818 -2.078 1.00 1.22 C HETATM 1237 C31 SXH A 101 -5.534 11.773 0.130 1.00 1.14 C HETATM 1238 C32 SXH A 101 -3.938 11.233 -1.742 1.00 1.23 C HETATM 1239 O33 SXH A 101 -3.401 10.119 -1.003 1.00 1.96 O HETATM 1240 C34 SXH A 101 -3.710 10.969 -3.208 1.00 1.30 C HETATM 1241 O35 SXH A 101 -4.363 11.501 -4.125 1.00 2.26 O HETATM 1242 N36 SXH A 101 -2.754 10.139 -3.391 1.00 0.83 N HETATM 1243 C37 SXH A 101 -2.246 9.635 -4.680 1.00 1.02 C HETATM 1244 C38 SXH A 101 -3.349 9.299 -5.720 1.00 1.13 C HETATM 1245 C39 SXH A 101 -4.451 8.383 -5.227 1.00 0.88 C HETATM 1246 O40 SXH A 101 -5.549 8.335 -5.798 1.00 1.41 O HETATM 1247 N41 SXH A 101 -4.149 7.670 -4.178 1.00 0.55 N HETATM 1248 C42 SXH A 101 -5.044 6.758 -3.543 1.00 0.93 C HETATM 1249 C43 SXH A 101 -4.601 5.381 -3.775 1.00 0.65 C HETATM 1250 S1 SXH A 101 -2.946 5.254 -3.393 1.00 1.15 S HETATM 1251 C1 SXH A 101 -2.730 3.611 -3.882 1.00 0.81 C HETATM 1252 O1 SXH A 101 -3.561 2.960 -4.534 1.00 1.38 O HETATM 1253 C2 SXH A 101 -1.427 3.017 -3.427 1.00 0.61 C HETATM 1254 C3 SXH A 101 -1.567 1.598 -2.956 1.00 0.46 C HETATM 1255 C4 SXH A 101 -0.309 1.081 -2.310 1.00 0.62 C HETATM 1256 C5 SXH A 101 -0.028 1.734 -0.974 1.00 0.60 C HETATM 1257 C6 SXH A 101 1.291 1.253 -0.431 1.00 0.67 C HETATM 0 HO33 SXH A 101 -2.548 10.378 -0.595 1.00 1.96 H new HETATM 0 HN41 SXH A 101 -3.213 7.771 -3.786 1.00 0.55 H new HETATM 0 HN36 SXH A 101 -2.292 9.787 -2.552 1.00 0.83 H new HETATM 0 H43A SXH A 101 -5.182 4.691 -3.163 1.00 0.65 H new HETATM 0 H42A SXH A 101 -5.085 6.961 -2.473 1.00 0.93 H new HETATM 0 H38A SXH A 101 -3.800 10.231 -6.060 1.00 1.13 H new HETATM 0 H37A SXH A 101 -1.576 10.380 -5.108 1.00 1.02 H new HETATM 0 H31B SXH A 101 -6.557 12.030 0.404 1.00 1.14 H new HETATM 0 H31A SXH A 101 -5.241 10.856 0.642 1.00 1.14 H new HETATM 0 H30B SXH A 101 -5.868 12.664 -3.156 1.00 1.22 H new HETATM 0 H30A SXH A 101 -6.932 13.047 -1.782 1.00 1.22 H new HETATM 0 H28A SXH A 101 -6.241 9.553 -1.141 1.00 0.52 H new HETATM 0 H6B SXH A 101 1.258 0.171 -0.301 1.00 0.67 H new HETATM 0 H6A SXH A 101 2.087 1.510 -1.129 1.00 0.67 H new HETATM 0 H6 SXH A 101 1.484 1.729 0.531 1.00 0.67 H new HETATM 0 H5A SXH A 101 -0.010 2.818 -1.087 1.00 0.60 H new HETATM 0 H5 SXH A 101 -0.827 1.500 -0.271 1.00 0.60 H new HETATM 0 H4A SXH A 101 -0.393 0.003 -2.172 1.00 0.62 H new HETATM 0 H43 SXH A 101 -4.769 5.103 -4.815 1.00 0.65 H new HETATM 0 H42 SXH A 101 -6.053 6.895 -3.932 1.00 0.93 H new HETATM 0 H4 SXH A 101 0.535 1.253 -2.978 1.00 0.62 H new HETATM 0 H3A SXH A 101 -2.390 1.534 -2.245 1.00 0.46 H new HETATM 0 H38 SXH A 101 -2.878 8.838 -6.588 1.00 1.13 H new HETATM 0 H37 SXH A 101 -1.652 8.740 -4.497 1.00 1.02 H new HETATM 0 H32 SXH A 101 -3.412 12.146 -1.461 1.00 1.23 H new HETATM 0 H31 SXH A 101 -4.865 12.582 0.424 1.00 1.14 H new HETATM 0 H30 SXH A 101 -5.257 13.649 -1.805 1.00 1.22 H new HETATM 0 H3 SXH A 101 -1.826 0.961 -3.802 1.00 0.46 H new HETATM 0 H2A SXH A 101 -0.710 3.054 -4.247 1.00 0.61 H new HETATM 0 H28 SXH A 101 -6.169 10.096 -2.806 1.00 0.52 H new HETATM 0 H2 SXH A 101 -1.018 3.624 -2.619 1.00 0.61 H new