USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 128:sc= 0.525 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.374 USER MOD Set 2.1: A 7 THR OG1 : rot 115:sc= 0.637 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.116 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 174:sc= 0.883 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 170:sc= 0.79 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0137) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.27 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0.763 (180deg=0.488) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 25 ASN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= 0.188 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= -0.617 K(o=-0.62,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0263) USER MOD Single : A 40 GLN : amide:sc= -0.287 X(o=-0.29,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.0803 K(o=0.08,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0196 (180deg=-0.333) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.434 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.240 -7.344 -5.606 1.00 9.67 N ATOM 2 CA MET A 1 11.175 -7.707 -4.210 1.00 10.38 C ATOM 3 C MET A 1 9.785 -7.995 -3.723 1.00 9.62 C ATOM 4 O MET A 1 8.820 -7.758 -4.446 1.00 9.62 O ATOM 5 CB MET A 1 11.920 -6.654 -3.318 1.00 13.77 C ATOM 6 CG MET A 1 11.231 -5.295 -3.238 1.00 16.29 C ATOM 7 SD MET A 1 11.892 -4.223 -1.894 1.00 17.17 S ATOM 8 CE MET A 1 10.583 -2.980 -2.122 1.00 16.11 C ATOM 0 H1 MET A 1 12.232 -7.342 -5.918 1.00 9.67 H new ATOM 0 H2 MET A 1 10.701 -8.033 -6.169 1.00 9.67 H new ATOM 0 H3 MET A 1 10.834 -6.396 -5.737 1.00 9.67 H new ATOM 0 HA MET A 1 11.702 -8.656 -4.114 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.021 -7.056 -2.310 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.928 -6.514 -3.708 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.344 -4.781 -4.192 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.163 -5.445 -3.082 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.776 -2.126 -1.473 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.571 -2.651 -3.161 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.617 -3.418 -1.868 1.00 16.11 H new ATOM 20 N GLN A 2 9.598 -8.502 -2.469 1.00 9.27 N ATOM 21 CA GLN A 2 8.283 -8.810 -1.983 1.00 9.07 C ATOM 22 C GLN A 2 8.068 -8.068 -0.651 1.00 8.72 C ATOM 23 O GLN A 2 9.056 -7.995 0.124 1.00 8.22 O ATOM 24 CB GLN A 2 8.204 -10.324 -1.773 1.00 14.46 C ATOM 25 CG GLN A 2 8.128 -11.196 -3.060 1.00 17.01 C ATOM 26 CD GLN A 2 9.499 -11.555 -3.689 1.00 20.10 C ATOM 27 OE1 GLN A 2 10.579 -11.367 -3.124 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.477 -12.201 -4.871 1.00 19.49 N ATOM 0 H GLN A 2 10.352 -8.693 -1.809 1.00 9.27 H new ATOM 0 HA GLN A 2 7.512 -8.499 -2.688 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.077 -10.636 -1.200 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.328 -10.539 -1.162 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.600 -12.120 -2.824 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.531 -10.668 -3.804 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.590 -12.362 -5.348 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.348 -12.529 -5.289 1.00 19.49 H new ATOM 37 N ILE A 3 6.899 -7.536 -0.453 1.00 5.87 N ATOM 38 CA ILE A 3 6.502 -6.863 0.765 1.00 5.07 C ATOM 39 C ILE A 3 5.155 -7.527 1.217 1.00 4.01 C ATOM 40 O ILE A 3 4.540 -8.337 0.477 1.00 4.61 O ATOM 41 CB ILE A 3 6.395 -5.370 0.637 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.339 -4.964 -0.445 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.791 -4.835 0.337 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.131 -3.448 -0.606 1.00 10.83 C ATOM 0 H ILE A 3 6.162 -7.555 -1.158 1.00 5.87 H new ATOM 0 HA ILE A 3 7.278 -6.988 1.521 1.00 5.07 H new ATOM 0 HB ILE A 3 6.034 -4.927 1.565 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.646 -5.379 -1.405 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.384 -5.423 -0.190 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.751 -3.750 0.237 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.465 -5.100 1.152 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.156 -5.272 -0.593 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.383 -3.263 -1.377 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.791 -3.025 0.339 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.072 -2.980 -0.895 1.00 10.83 H new ATOM 56 N PHE A 4 4.686 -7.166 2.423 1.00 4.55 N ATOM 57 CA PHE A 4 3.491 -7.705 3.013 1.00 4.68 C ATOM 58 C PHE A 4 2.474 -6.605 3.278 1.00 5.30 C ATOM 59 O PHE A 4 2.835 -5.507 3.573 1.00 5.58 O ATOM 60 CB PHE A 4 3.717 -8.478 4.329 1.00 4.83 C ATOM 61 CG PHE A 4 4.733 -9.571 4.154 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.475 -10.701 3.366 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.973 -9.516 4.805 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.457 -11.656 3.117 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.846 -10.565 4.656 1.00 10.61 C ATOM 66 CZ PHE A 4 6.644 -11.626 3.787 1.00 8.90 C ATOM 0 H PHE A 4 5.151 -6.475 3.012 1.00 4.55 H new ATOM 0 HA PHE A 4 3.122 -8.418 2.276 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.051 -7.789 5.105 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.774 -8.906 4.668 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.491 -10.834 2.942 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.237 -8.663 5.413 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.276 -12.429 2.385 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.746 -10.564 5.253 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.392 -12.393 3.647 1.00 8.90 H new ATOM 76 N VAL A 5 1.136 -6.828 3.198 1.00 4.44 N ATOM 77 CA VAL A 5 0.275 -5.782 3.675 1.00 3.87 C ATOM 78 C VAL A 5 -0.806 -6.466 4.432 1.00 4.93 C ATOM 79 O VAL A 5 -1.293 -7.464 3.950 1.00 6.84 O ATOM 80 CB VAL A 5 -0.470 -4.909 2.571 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.493 -3.936 3.224 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.468 -4.096 1.722 1.00 9.13 C ATOM 0 H VAL A 5 0.682 -7.665 2.833 1.00 4.44 H new ATOM 0 HA VAL A 5 0.914 -5.095 4.229 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.977 -5.631 1.930 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.987 -3.352 2.447 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.238 -4.508 3.777 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.972 -3.264 3.906 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.105 -3.525 0.991 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.032 -3.411 2.356 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.158 -4.761 1.203 1.00 9.13 H new ATOM 92 N LYS A 6 -1.174 -6.085 5.617 1.00 6.04 N ATOM 93 CA LYS A 6 -2.363 -6.738 6.287 1.00 6.12 C ATOM 94 C LYS A 6 -3.627 -5.919 6.137 1.00 6.57 C ATOM 95 O LYS A 6 -3.644 -4.703 6.383 1.00 5.76 O ATOM 96 CB LYS A 6 -2.025 -6.856 7.787 1.00 7.45 C ATOM 97 CG LYS A 6 -1.075 -7.992 8.134 1.00 11.12 C ATOM 98 CD LYS A 6 -0.517 -7.794 9.549 1.00 14.54 C ATOM 99 CE LYS A 6 0.593 -8.689 9.978 1.00 18.84 C ATOM 100 NZ LYS A 6 0.305 -10.165 9.764 1.00 20.55 N ATOM 0 H LYS A 6 -0.716 -5.354 6.162 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.547 -7.706 5.822 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.585 -5.917 8.122 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.951 -6.991 8.345 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.597 -8.947 8.070 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.258 -8.027 7.413 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.171 -6.764 9.634 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.339 -7.914 10.255 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.496 -8.421 9.430 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.798 -8.517 11.035 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.155 -10.721 9.988 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.475 -10.460 10.385 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.038 -10.326 8.772 1.00 20.55 H new ATOM 114 N THR A 7 -4.760 -6.608 5.712 1.00 7.41 N ATOM 115 CA THR A 7 -5.974 -5.985 5.365 1.00 7.48 C ATOM 116 C THR A 7 -6.706 -5.327 6.578 1.00 8.75 C ATOM 117 O THR A 7 -6.277 -5.590 7.697 1.00 8.58 O ATOM 118 CB THR A 7 -7.019 -6.821 4.534 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.535 -7.914 5.286 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.252 -7.352 3.360 1.00 9.17 C ATOM 0 H THR A 7 -4.787 -7.624 5.622 1.00 7.41 H new ATOM 0 HA THR A 7 -5.601 -5.223 4.681 1.00 7.48 H new ATOM 0 HB THR A 7 -7.870 -6.202 4.248 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.492 -7.777 5.449 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.915 -7.947 2.732 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.852 -6.520 2.780 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.431 -7.975 3.714 1.00 9.17 H new ATOM 128 N LEU A 8 -7.799 -4.549 6.331 1.00 9.84 N ATOM 129 CA LEU A 8 -8.549 -3.850 7.315 1.00 14.15 C ATOM 130 C LEU A 8 -9.253 -4.858 8.187 1.00 17.37 C ATOM 131 O LEU A 8 -9.554 -4.643 9.381 1.00 17.01 O ATOM 132 CB LEU A 8 -9.587 -2.831 6.649 1.00 16.63 C ATOM 133 CG LEU A 8 -10.388 -2.063 7.621 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.526 -1.185 8.534 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.550 -1.176 7.009 1.00 18.59 C ATOM 0 H LEU A 8 -8.164 -4.412 5.388 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.874 -3.249 7.924 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.039 -2.134 6.015 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.261 -3.389 6.000 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.868 -2.852 8.200 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.167 -0.643 9.229 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.833 -1.813 9.094 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.963 -0.474 7.929 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.072 -0.656 7.812 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.126 -0.446 6.320 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.252 -1.815 6.474 1.00 18.59 H new ATOM 147 N THR A 9 -9.562 -5.989 7.577 1.00 18.33 N ATOM 148 CA THR A 9 -10.224 -7.118 8.271 1.00 19.24 C ATOM 149 C THR A 9 -9.252 -8.168 8.779 1.00 19.48 C ATOM 150 O THR A 9 -9.681 -9.043 9.538 1.00 23.14 O ATOM 151 CB THR A 9 -11.187 -7.826 7.377 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.584 -8.113 6.106 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.310 -6.802 7.075 1.00 19.70 C ATOM 0 H THR A 9 -9.369 -6.166 6.591 1.00 18.33 H new ATOM 0 HA THR A 9 -10.733 -6.653 9.115 1.00 19.24 H new ATOM 0 HB THR A 9 -11.523 -8.748 7.851 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.230 -8.579 5.535 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.053 -7.259 6.421 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.785 -6.498 8.007 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.883 -5.928 6.584 1.00 19.70 H new ATOM 161 N GLY A 10 -7.927 -8.077 8.361 1.00 19.43 N ATOM 162 CA GLY A 10 -6.839 -8.778 9.036 1.00 18.74 C ATOM 163 C GLY A 10 -6.102 -9.806 8.296 1.00 17.62 C ATOM 164 O GLY A 10 -5.418 -10.559 8.963 1.00 19.74 O ATOM 0 H GLY A 10 -7.627 -7.519 7.561 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.120 -8.030 9.369 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.251 -9.245 9.931 1.00 18.74 H new ATOM 168 N LYS A 11 -6.269 -9.950 7.060 1.00 13.56 N ATOM 169 CA LYS A 11 -5.574 -11.005 6.297 1.00 11.91 C ATOM 170 C LYS A 11 -4.302 -10.372 5.780 1.00 10.18 C ATOM 171 O LYS A 11 -4.355 -9.293 5.170 1.00 9.10 O ATOM 172 CB LYS A 11 -6.532 -11.499 5.155 1.00 13.43 C ATOM 173 CG LYS A 11 -5.879 -12.280 4.061 1.00 16.69 C ATOM 174 CD LYS A 11 -6.874 -12.658 2.956 1.00 17.92 C ATOM 175 CE LYS A 11 -7.220 -11.432 2.028 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.798 -11.861 0.723 1.00 21.93 N ATOM 0 H LYS A 11 -6.885 -9.362 6.498 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.317 -11.883 6.889 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.313 -12.115 5.601 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.023 -10.631 4.715 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.066 -11.694 3.632 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.436 -13.185 4.476 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.456 -13.463 2.352 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.789 -13.040 3.408 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.927 -10.779 2.540 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.318 -10.847 1.849 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.119 -11.025 0.194 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.074 -12.363 0.171 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.605 -12.495 0.892 1.00 21.93 H new ATOM 190 N THR A 12 -3.123 -11.097 6.011 1.00 9.63 N ATOM 191 CA THR A 12 -1.922 -10.690 5.367 1.00 9.85 C ATOM 192 C THR A 12 -1.970 -10.997 3.866 1.00 11.66 C ATOM 193 O THR A 12 -2.496 -11.979 3.376 1.00 12.33 O ATOM 194 CB THR A 12 -0.696 -11.401 5.898 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.572 -11.295 7.286 1.00 10.91 O ATOM 196 CG2 THR A 12 0.616 -10.826 5.342 1.00 9.63 C ATOM 0 H THR A 12 -3.044 -11.914 6.616 1.00 9.63 H new ATOM 0 HA THR A 12 -1.849 -9.620 5.563 1.00 9.85 H new ATOM 0 HB THR A 12 -0.845 -12.434 5.583 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.135 -11.898 7.598 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.460 -11.376 5.759 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.623 -10.919 4.256 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.697 -9.774 5.616 1.00 9.63 H new ATOM 204 N ILE A 13 -1.400 -10.075 3.068 1.00 10.42 N ATOM 205 CA ILE A 13 -1.216 -10.324 1.613 1.00 11.84 C ATOM 206 C ILE A 13 0.254 -10.020 1.255 1.00 10.55 C ATOM 207 O ILE A 13 0.929 -9.429 2.092 1.00 11.92 O ATOM 208 CB ILE A 13 -2.173 -9.598 0.640 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.992 -8.085 0.695 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.560 -10.056 1.032 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.939 -7.231 -0.081 1.00 16.46 C ATOM 0 H ILE A 13 -1.063 -9.168 3.390 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.479 -11.371 1.466 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.971 -9.846 -0.402 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.050 -7.781 1.740 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.982 -7.858 0.352 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.297 -9.581 0.384 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.629 -11.139 0.928 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.756 -9.778 2.068 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.681 -6.181 0.059 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.872 -7.483 -1.139 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.956 -7.404 0.270 1.00 16.46 H new ATOM 223 N THR A 14 0.800 -10.539 0.093 1.00 9.39 N ATOM 224 CA THR A 14 2.197 -10.450 -0.297 1.00 9.63 C ATOM 225 C THR A 14 2.167 -9.733 -1.612 1.00 11.20 C ATOM 226 O THR A 14 1.276 -10.030 -2.443 1.00 11.63 O ATOM 227 CB THR A 14 2.794 -11.863 -0.549 1.00 10.38 C ATOM 228 OG1 THR A 14 2.607 -12.582 0.620 1.00 16.30 O ATOM 229 CG2 THR A 14 4.273 -11.792 -0.844 1.00 11.66 C ATOM 0 H THR A 14 0.234 -11.038 -0.593 1.00 9.39 H new ATOM 0 HA THR A 14 2.793 -9.960 0.473 1.00 9.63 H new ATOM 0 HB THR A 14 2.306 -12.325 -1.407 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.968 -13.486 0.509 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.659 -12.797 -1.015 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.438 -11.184 -1.733 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.792 -11.344 0.003 1.00 11.66 H new ATOM 237 N LEU A 15 2.996 -8.696 -1.926 1.00 8.29 N ATOM 238 CA LEU A 15 2.989 -7.927 -3.190 1.00 9.03 C ATOM 239 C LEU A 15 4.372 -7.930 -3.788 1.00 8.59 C ATOM 240 O LEU A 15 5.341 -7.728 -3.077 1.00 7.79 O ATOM 241 CB LEU A 15 2.545 -6.495 -3.022 1.00 11.08 C ATOM 242 CG LEU A 15 1.219 -6.347 -2.165 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.013 -4.933 -1.745 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.028 -6.827 -2.989 1.00 15.27 C ATOM 0 H LEU A 15 3.711 -8.367 -1.277 1.00 8.29 H new ATOM 0 HA LEU A 15 2.268 -8.418 -3.843 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.344 -5.928 -2.544 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.385 -6.053 -4.006 1.00 11.08 H new ATOM 0 HG LEU A 15 1.328 -6.970 -1.278 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.097 -4.857 -1.159 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.859 -4.606 -1.140 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.932 -4.299 -2.628 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.928 -6.718 -2.384 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.122 -6.223 -3.892 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.099 -7.874 -3.264 1.00 15.27 H new ATOM 256 N GLU A 16 4.465 -8.115 -5.097 1.00 11.04 N ATOM 257 CA GLU A 16 5.650 -8.237 -5.843 1.00 11.50 C ATOM 258 C GLU A 16 5.916 -6.979 -6.602 1.00 10.13 C ATOM 259 O GLU A 16 5.119 -6.605 -7.489 1.00 9.83 O ATOM 260 CB GLU A 16 5.626 -9.448 -6.824 1.00 17.22 C ATOM 261 CG GLU A 16 7.070 -9.939 -7.193 1.00 23.33 C ATOM 262 CD GLU A 16 7.104 -11.068 -8.168 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.783 -12.239 -7.819 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.482 -10.827 -9.334 1.00 28.90 O ATOM 0 H GLU A 16 3.634 -8.185 -5.684 1.00 11.04 H new ATOM 0 HA GLU A 16 6.452 -8.417 -5.127 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.069 -10.269 -6.372 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.096 -9.166 -7.734 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.632 -9.101 -7.606 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.581 -10.247 -6.281 1.00 23.33 H new ATOM 271 N VAL A 17 6.985 -6.206 -6.250 1.00 8.99 N ATOM 272 CA VAL A 17 7.161 -4.816 -6.502 1.00 8.85 C ATOM 273 C VAL A 17 8.627 -4.652 -6.631 1.00 8.04 C ATOM 274 O VAL A 17 9.409 -5.504 -6.223 1.00 8.99 O ATOM 275 CB VAL A 17 6.555 -3.932 -5.363 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.015 -4.179 -5.077 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.301 -4.090 -4.045 1.00 10.54 C ATOM 0 H VAL A 17 7.780 -6.603 -5.750 1.00 8.99 H new ATOM 0 HA VAL A 17 6.636 -4.487 -7.399 1.00 8.85 H new ATOM 0 HB VAL A 17 6.670 -2.921 -5.753 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.684 -3.522 -4.273 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.439 -3.968 -5.978 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.861 -5.217 -4.783 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.840 -3.455 -3.288 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.255 -5.130 -3.723 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.342 -3.798 -4.179 1.00 10.54 H new ATOM 287 N GLU A 18 9.060 -3.489 -7.248 1.00 7.29 N ATOM 288 CA GLU A 18 10.424 -3.038 -7.207 1.00 7.08 C ATOM 289 C GLU A 18 10.598 -1.912 -6.230 1.00 6.45 C ATOM 290 O GLU A 18 9.663 -1.117 -5.977 1.00 5.28 O ATOM 291 CB GLU A 18 10.905 -2.476 -8.572 1.00 10.28 C ATOM 292 CG GLU A 18 10.889 -3.549 -9.771 1.00 12.65 C ATOM 293 CD GLU A 18 12.024 -4.597 -9.645 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.211 -4.136 -9.535 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.776 -5.806 -9.736 1.00 14.33 O ATOM 0 H GLU A 18 8.440 -2.873 -7.774 1.00 7.29 H new ATOM 0 HA GLU A 18 11.001 -3.918 -6.924 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.273 -1.631 -8.847 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.919 -2.092 -8.457 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.926 -4.060 -9.784 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.985 -3.027 -10.723 1.00 12.65 H new ATOM 302 N PRO A 19 11.810 -1.532 -5.721 1.00 7.24 N ATOM 303 CA PRO A 19 11.970 -0.407 -4.825 1.00 7.07 C ATOM 304 C PRO A 19 11.656 0.964 -5.469 1.00 6.65 C ATOM 305 O PRO A 19 11.068 1.852 -4.788 1.00 6.37 O ATOM 306 CB PRO A 19 13.501 -0.474 -4.471 1.00 7.61 C ATOM 307 CG PRO A 19 13.931 -1.945 -4.611 1.00 8.16 C ATOM 308 CD PRO A 19 13.053 -2.336 -5.832 1.00 7.49 C ATOM 0 HA PRO A 19 11.283 -0.476 -3.981 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.080 0.162 -5.140 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.679 -0.115 -3.457 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.998 -2.056 -4.806 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.706 -2.536 -3.723 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.571 -2.125 -6.768 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.829 -3.403 -5.825 1.00 7.49 H new ATOM 316 N SER A 20 11.839 1.102 -6.753 1.00 6.80 N ATOM 317 CA SER A 20 11.487 2.322 -7.496 1.00 6.28 C ATOM 318 C SER A 20 10.049 2.307 -8.040 1.00 8.45 C ATOM 319 O SER A 20 9.629 3.224 -8.697 1.00 7.26 O ATOM 320 CB SER A 20 12.315 2.389 -8.792 1.00 8.57 C ATOM 321 OG SER A 20 12.373 1.092 -9.383 1.00 11.13 O ATOM 0 H SER A 20 12.242 0.370 -7.339 1.00 6.80 H new ATOM 0 HA SER A 20 11.649 3.136 -6.789 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.866 3.098 -9.487 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.321 2.748 -8.576 1.00 8.57 H new ATOM 0 HG SER A 20 12.898 1.132 -10.209 1.00 11.13 H new ATOM 327 N ASP A 21 9.167 1.370 -7.644 1.00 7.50 N ATOM 328 CA ASP A 21 7.714 1.582 -7.857 1.00 7.70 C ATOM 329 C ASP A 21 7.107 2.580 -6.936 1.00 7.08 C ATOM 330 O ASP A 21 7.594 2.856 -5.819 1.00 8.11 O ATOM 331 CB ASP A 21 6.940 0.199 -7.665 1.00 11.00 C ATOM 332 CG ASP A 21 7.427 -0.747 -8.678 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.933 -0.309 -9.749 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.204 -1.941 -8.489 1.00 14.36 O ATOM 0 H ASP A 21 9.416 0.490 -7.192 1.00 7.50 H new ATOM 0 HA ASP A 21 7.615 1.970 -8.871 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.111 -0.196 -6.664 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.865 0.348 -7.770 1.00 11.00 H new ATOM 339 N THR A 22 6.046 3.317 -7.451 1.00 5.37 N ATOM 340 CA THR A 22 5.294 4.311 -6.622 1.00 6.01 C ATOM 341 C THR A 22 4.297 3.669 -5.709 1.00 8.01 C ATOM 342 O THR A 22 3.946 2.541 -5.955 1.00 8.11 O ATOM 343 CB THR A 22 4.592 5.382 -7.376 1.00 8.92 C ATOM 344 OG1 THR A 22 3.855 4.775 -8.374 1.00 10.22 O ATOM 345 CG2 THR A 22 5.589 6.513 -7.898 1.00 9.65 C ATOM 0 H THR A 22 5.712 3.234 -8.411 1.00 5.37 H new ATOM 0 HA THR A 22 6.096 4.781 -6.053 1.00 6.01 H new ATOM 0 HB THR A 22 3.912 5.927 -6.721 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.377 5.458 -8.890 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.026 7.271 -8.442 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.092 6.975 -7.049 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.331 6.067 -8.560 1.00 9.65 H new ATOM 353 N ILE A 23 3.843 4.274 -4.661 1.00 8.32 N ATOM 354 CA ILE A 23 2.787 3.859 -3.729 1.00 9.92 C ATOM 355 C ILE A 23 1.549 3.643 -4.501 1.00 10.01 C ATOM 356 O ILE A 23 0.923 2.643 -4.355 1.00 8.71 O ATOM 357 CB ILE A 23 2.697 4.823 -2.520 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.036 4.985 -1.736 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.469 4.391 -1.591 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.511 3.803 -0.824 1.00 12.30 C ATOM 0 H ILE A 23 4.232 5.176 -4.386 1.00 8.32 H new ATOM 0 HA ILE A 23 3.011 2.904 -3.254 1.00 9.92 H new ATOM 0 HB ILE A 23 2.508 5.825 -2.905 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.825 5.182 -2.462 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.949 5.873 -1.110 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.402 5.067 -0.739 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.544 4.439 -2.165 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.623 3.372 -1.235 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.455 4.067 -0.348 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.760 3.610 -0.058 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.649 2.908 -1.431 1.00 12.30 H new ATOM 372 N GLU A 24 1.227 4.601 -5.379 1.00 9.54 N ATOM 373 CA GLU A 24 0.071 4.379 -6.279 1.00 11.81 C ATOM 374 C GLU A 24 0.085 3.104 -7.117 1.00 11.14 C ATOM 375 O GLU A 24 -0.927 2.351 -7.268 1.00 10.62 O ATOM 376 CB GLU A 24 0.042 5.600 -7.203 1.00 19.24 C ATOM 377 CG GLU A 24 -1.075 5.683 -8.331 1.00 27.76 C ATOM 378 CD GLU A 24 -1.258 7.150 -8.653 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.226 7.822 -8.943 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.389 7.623 -8.677 1.00 34.80 O ATOM 0 H GLU A 24 1.713 5.491 -5.490 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.813 4.251 -5.654 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.057 6.486 -6.576 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.013 5.664 -7.695 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.772 5.127 -9.218 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.010 5.243 -7.983 1.00 27.76 H new ATOM 387 N ASN A 25 1.282 2.830 -7.712 1.00 9.43 N ATOM 388 CA ASN A 25 1.572 1.554 -8.424 1.00 10.96 C ATOM 389 C ASN A 25 1.341 0.342 -7.502 1.00 9.68 C ATOM 390 O ASN A 25 0.865 -0.691 -7.995 1.00 9.33 O ATOM 391 CB ASN A 25 3.048 1.666 -8.979 1.00 16.78 C ATOM 392 CG ASN A 25 3.233 0.739 -10.194 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.946 -0.261 -10.153 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.472 1.057 -11.294 1.00 24.70 N ATOM 0 H ASN A 25 2.066 3.483 -7.711 1.00 9.43 H new ATOM 0 HA ASN A 25 0.893 1.392 -9.261 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.260 2.697 -9.264 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.759 1.399 -8.197 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.486 0.453 -12.116 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.893 1.897 -11.288 1.00 24.70 H new ATOM 401 N VAL A 26 1.715 0.393 -6.203 1.00 6.52 N ATOM 402 CA VAL A 26 1.569 -0.775 -5.383 1.00 5.53 C ATOM 403 C VAL A 26 0.064 -1.009 -5.209 1.00 4.42 C ATOM 404 O VAL A 26 -0.461 -2.092 -5.328 1.00 3.40 O ATOM 405 CB VAL A 26 2.275 -0.500 -4.076 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.092 -1.661 -3.120 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.795 -0.457 -4.298 1.00 8.12 C ATOM 0 H VAL A 26 2.104 1.212 -5.736 1.00 6.52 H new ATOM 0 HA VAL A 26 2.008 -1.673 -5.816 1.00 5.53 H new ATOM 0 HB VAL A 26 1.868 0.435 -3.691 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.607 -1.446 -2.184 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.030 -1.807 -2.925 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.507 -2.566 -3.563 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.296 -0.258 -3.350 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.132 -1.415 -4.693 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.037 0.333 -5.009 1.00 8.12 H new ATOM 417 N LYS A 27 -0.755 0.016 -5.027 1.00 2.64 N ATOM 418 CA LYS A 27 -2.201 0.012 -4.889 1.00 4.14 C ATOM 419 C LYS A 27 -2.909 -0.644 -6.175 1.00 5.58 C ATOM 420 O LYS A 27 -3.863 -1.371 -6.015 1.00 4.11 O ATOM 421 CB LYS A 27 -2.894 1.398 -4.674 1.00 3.97 C ATOM 422 CG LYS A 27 -2.569 2.097 -3.306 1.00 7.45 C ATOM 423 CD LYS A 27 -3.366 3.367 -3.161 1.00 9.02 C ATOM 424 CE LYS A 27 -3.210 4.121 -1.872 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.710 5.477 -1.987 1.00 15.47 N ATOM 0 H LYS A 27 -0.385 0.965 -4.967 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.336 -0.568 -3.976 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.599 2.064 -5.485 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.973 1.263 -4.749 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.797 1.421 -2.482 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.504 2.321 -3.249 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.094 4.034 -3.979 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.421 3.122 -3.286 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.745 3.601 -1.078 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.158 4.143 -1.587 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.064 6.128 -1.496 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.770 5.741 -2.991 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.655 5.536 -1.556 1.00 15.47 H new ATOM 439 N ALA A 28 -2.379 -0.393 -7.382 1.00 6.61 N ATOM 440 CA ALA A 28 -2.772 -1.126 -8.607 1.00 7.74 C ATOM 441 C ALA A 28 -2.517 -2.653 -8.552 1.00 9.17 C ATOM 442 O ALA A 28 -3.369 -3.463 -8.975 1.00 11.45 O ATOM 443 CB ALA A 28 -2.201 -0.441 -9.884 1.00 7.68 C ATOM 0 H ALA A 28 -1.668 0.320 -7.542 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.858 -1.057 -8.666 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.507 -1.003 -10.766 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.583 0.578 -9.952 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.113 -0.417 -9.828 1.00 7.68 H new ATOM 449 N LYS A 29 -1.350 -3.039 -7.903 1.00 8.96 N ATOM 450 CA LYS A 29 -1.066 -4.427 -7.550 1.00 7.90 C ATOM 451 C LYS A 29 -2.071 -5.008 -6.642 1.00 6.92 C ATOM 452 O LYS A 29 -2.550 -6.143 -6.869 1.00 6.87 O ATOM 453 CB LYS A 29 0.369 -4.537 -6.996 1.00 10.28 C ATOM 454 CG LYS A 29 1.457 -4.112 -7.983 1.00 14.94 C ATOM 455 CD LYS A 29 1.877 -5.349 -8.899 1.00 19.69 C ATOM 456 CE LYS A 29 2.908 -5.044 -9.981 1.00 22.63 C ATOM 457 NZ LYS A 29 4.232 -4.831 -9.311 1.00 24.98 N ATOM 0 H LYS A 29 -0.617 -2.385 -7.630 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.133 -5.027 -8.457 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.448 -3.923 -6.099 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.551 -5.568 -6.693 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.095 -3.294 -8.606 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.326 -3.739 -7.441 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.272 -6.137 -8.257 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.981 -5.746 -9.377 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.969 -5.867 -10.693 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.619 -4.157 -10.544 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.973 -4.722 -10.033 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.190 -3.973 -8.725 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.453 -5.650 -8.710 1.00 24.98 H new ATOM 471 N ILE A 30 -2.475 -4.240 -5.554 1.00 4.57 N ATOM 472 CA ILE A 30 -3.554 -4.577 -4.625 1.00 5.58 C ATOM 473 C ILE A 30 -4.861 -4.766 -5.355 1.00 7.26 C ATOM 474 O ILE A 30 -5.613 -5.728 -5.147 1.00 9.46 O ATOM 475 CB ILE A 30 -3.629 -3.688 -3.402 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.240 -3.566 -2.740 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.636 -4.196 -2.361 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.192 -2.994 -1.327 1.00 2.00 C ATOM 0 H ILE A 30 -2.025 -3.354 -5.324 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.305 -5.545 -4.190 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.970 -2.713 -3.750 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.787 -4.557 -2.719 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.614 -2.943 -3.379 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.648 -3.520 -1.506 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.630 -4.236 -2.806 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.346 -5.194 -2.031 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.159 -2.963 -0.982 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.604 -1.985 -1.329 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.779 -3.624 -0.659 1.00 2.00 H new ATOM 490 N GLN A 31 -5.240 -3.876 -6.248 1.00 7.06 N ATOM 491 CA GLN A 31 -6.487 -3.963 -7.018 1.00 8.67 C ATOM 492 C GLN A 31 -6.574 -5.227 -7.866 1.00 10.90 C ATOM 493 O GLN A 31 -7.520 -6.009 -7.749 1.00 9.63 O ATOM 494 CB GLN A 31 -6.759 -2.762 -7.934 1.00 9.12 C ATOM 495 CG GLN A 31 -8.194 -2.756 -8.602 1.00 10.76 C ATOM 496 CD GLN A 31 -8.493 -1.575 -9.507 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.593 -0.732 -9.626 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.707 -1.579 -10.077 1.00 14.76 N ATOM 0 H GLN A 31 -4.685 -3.050 -6.472 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.249 -3.979 -6.239 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.638 -1.846 -7.356 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.006 -2.744 -8.722 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.309 -3.672 -9.181 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.943 -2.783 -7.811 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.356 -2.344 -9.890 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.982 -0.817 -10.698 1.00 14.76 H new ATOM 507 N ASP A 32 -5.552 -5.588 -8.626 1.00 10.93 N ATOM 508 CA ASP A 32 -5.526 -6.768 -9.394 1.00 14.01 C ATOM 509 C ASP A 32 -5.675 -7.961 -8.484 1.00 14.04 C ATOM 510 O ASP A 32 -6.480 -8.871 -8.710 1.00 13.39 O ATOM 511 CB ASP A 32 -4.224 -6.741 -10.263 1.00 18.01 C ATOM 512 CG ASP A 32 -4.042 -7.909 -11.221 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.905 -7.970 -12.120 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.135 -8.745 -11.020 1.00 25.17 O ATOM 0 H ASP A 32 -4.702 -5.031 -8.710 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.362 -6.843 -10.089 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.215 -5.817 -10.841 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.364 -6.707 -9.594 1.00 18.01 H new ATOM 519 N LYS A 33 -4.952 -8.003 -7.316 1.00 14.22 N ATOM 520 CA LYS A 33 -5.108 -9.042 -6.360 1.00 14.00 C ATOM 521 C LYS A 33 -6.427 -9.190 -5.565 1.00 12.37 C ATOM 522 O LYS A 33 -7.050 -10.283 -5.558 1.00 12.17 O ATOM 523 CB LYS A 33 -3.883 -8.999 -5.418 1.00 18.62 C ATOM 524 CG LYS A 33 -3.690 -10.263 -4.560 1.00 24.00 C ATOM 525 CD LYS A 33 -2.354 -10.154 -3.751 1.00 27.61 C ATOM 526 CE LYS A 33 -1.991 -11.427 -2.926 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.844 -12.643 -3.815 1.00 30.06 N ATOM 0 H LYS A 33 -4.261 -7.300 -7.056 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.175 -9.942 -6.971 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.986 -8.842 -6.017 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.980 -8.138 -4.757 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.531 -10.382 -3.877 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.669 -11.147 -5.197 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.540 -9.942 -4.445 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.424 -9.304 -3.072 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.061 -11.257 -2.384 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.765 -11.612 -2.181 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.504 -13.447 -3.250 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.766 -12.880 -4.235 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.161 -12.439 -4.572 1.00 30.06 H new ATOM 541 N GLU A 34 -6.881 -8.160 -4.919 1.00 10.11 N ATOM 542 CA GLU A 34 -7.863 -8.114 -3.864 1.00 10.07 C ATOM 543 C GLU A 34 -9.131 -7.452 -4.386 1.00 9.32 C ATOM 544 O GLU A 34 -10.131 -7.408 -3.686 1.00 11.61 O ATOM 545 CB GLU A 34 -7.349 -7.352 -2.616 1.00 14.77 C ATOM 546 CG GLU A 34 -6.313 -8.138 -1.773 1.00 18.75 C ATOM 547 CD GLU A 34 -6.884 -9.458 -1.272 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.117 -9.553 -0.941 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.146 -10.425 -1.146 1.00 25.19 O ATOM 0 H GLU A 34 -6.538 -7.225 -5.138 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.069 -9.139 -3.556 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.901 -6.412 -2.937 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.199 -7.100 -1.983 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.424 -8.330 -2.374 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.998 -7.531 -0.924 1.00 18.75 H new ATOM 556 N GLY A 35 -9.150 -6.971 -5.599 1.00 7.22 N ATOM 557 CA GLY A 35 -10.228 -6.356 -6.302 1.00 6.29 C ATOM 558 C GLY A 35 -10.611 -4.983 -5.848 1.00 6.93 C ATOM 559 O GLY A 35 -11.487 -4.362 -6.445 1.00 7.41 O ATOM 0 H GLY A 35 -8.311 -7.008 -6.178 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.965 -6.307 -7.359 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.103 -7.001 -6.221 1.00 6.29 H new ATOM 563 N ILE A 36 -9.918 -4.328 -4.869 1.00 5.86 N ATOM 564 CA ILE A 36 -10.108 -2.940 -4.344 1.00 6.07 C ATOM 565 C ILE A 36 -9.706 -1.824 -5.263 1.00 6.36 C ATOM 566 O ILE A 36 -8.502 -1.735 -5.430 1.00 6.18 O ATOM 567 CB ILE A 36 -9.338 -2.768 -2.995 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.413 -4.077 -2.173 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.892 -1.486 -2.295 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.666 -4.105 -0.807 1.00 9.49 C ATOM 0 H ILE A 36 -9.150 -4.795 -4.388 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.187 -2.850 -4.222 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.269 -2.607 -3.134 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.464 -4.299 -1.988 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.020 -4.886 -2.789 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.374 -1.336 -1.348 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.729 -0.621 -2.938 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.960 -1.605 -2.110 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.801 -5.080 -0.338 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.603 -3.925 -0.970 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.070 -3.330 -0.156 1.00 9.49 H new ATOM 582 N PRO A 37 -10.529 -0.964 -5.866 1.00 8.65 N ATOM 583 CA PRO A 37 -10.041 0.298 -6.480 1.00 9.18 C ATOM 584 C PRO A 37 -9.040 1.256 -5.709 1.00 9.85 C ATOM 585 O PRO A 37 -9.250 1.485 -4.543 1.00 8.51 O ATOM 586 CB PRO A 37 -11.360 0.999 -6.797 1.00 11.42 C ATOM 587 CG PRO A 37 -12.403 -0.119 -6.962 1.00 9.27 C ATOM 588 CD PRO A 37 -11.998 -1.092 -5.856 1.00 8.33 C ATOM 0 HA PRO A 37 -9.374 0.043 -7.303 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.642 1.681 -5.995 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.277 1.593 -7.707 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.421 0.249 -6.830 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.356 -0.579 -7.949 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.426 -0.817 -4.892 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.321 -2.111 -6.069 1.00 8.33 H new ATOM 596 N PRO A 38 -8.011 1.808 -6.259 1.00 8.71 N ATOM 597 CA PRO A 38 -7.058 2.636 -5.573 1.00 9.08 C ATOM 598 C PRO A 38 -7.644 3.903 -4.912 1.00 9.28 C ATOM 599 O PRO A 38 -7.045 4.423 -3.959 1.00 6.50 O ATOM 600 CB PRO A 38 -6.039 3.023 -6.675 1.00 10.31 C ATOM 601 CG PRO A 38 -5.971 1.808 -7.551 1.00 10.81 C ATOM 602 CD PRO A 38 -7.346 1.123 -7.385 1.00 12.00 C ATOM 0 HA PRO A 38 -6.632 2.090 -4.732 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.369 3.899 -7.233 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.064 3.264 -6.250 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.788 2.080 -8.591 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.160 1.146 -7.247 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.937 1.209 -8.297 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.229 0.059 -7.180 1.00 12.00 H new ATOM 610 N ASP A 39 -8.852 4.432 -5.314 1.00 11.20 N ATOM 611 CA ASP A 39 -9.408 5.518 -4.639 1.00 14.96 C ATOM 612 C ASP A 39 -10.245 5.071 -3.406 1.00 13.99 C ATOM 613 O ASP A 39 -10.758 5.891 -2.665 1.00 13.75 O ATOM 614 CB ASP A 39 -10.216 6.486 -5.580 1.00 24.16 C ATOM 615 CG ASP A 39 -9.467 7.047 -6.731 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.207 6.379 -7.768 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.122 8.250 -6.610 1.00 34.22 O ATOM 0 H ASP A 39 -9.403 4.085 -6.099 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.566 6.100 -4.265 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.083 5.948 -5.963 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.594 7.313 -4.979 1.00 24.16 H new ATOM 622 N GLN A 40 -10.358 3.795 -3.164 1.00 11.60 N ATOM 623 CA GLN A 40 -11.012 3.180 -2.077 1.00 10.76 C ATOM 624 C GLN A 40 -9.967 2.724 -1.059 1.00 8.01 C ATOM 625 O GLN A 40 -10.237 1.901 -0.158 1.00 8.96 O ATOM 626 CB GLN A 40 -11.914 1.997 -2.471 1.00 11.14 C ATOM 627 CG GLN A 40 -13.079 2.390 -3.313 1.00 14.85 C ATOM 628 CD GLN A 40 -14.056 1.314 -3.746 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.889 1.612 -4.659 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.059 0.097 -3.110 1.00 18.16 N ATOM 0 H GLN A 40 -9.949 3.105 -3.794 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.678 3.929 -1.649 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.318 1.261 -3.010 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.278 1.511 -1.566 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.641 3.148 -2.768 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.691 2.867 -4.213 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.372 -0.100 -2.382 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.748 -0.610 -3.365 1.00 18.16 H new ATOM 639 N GLN A 41 -8.659 3.117 -1.232 1.00 6.52 N ATOM 640 CA GLN A 41 -7.523 2.643 -0.428 1.00 3.87 C ATOM 641 C GLN A 41 -6.762 3.759 0.245 1.00 4.79 C ATOM 642 O GLN A 41 -6.287 4.707 -0.412 1.00 6.34 O ATOM 643 CB GLN A 41 -6.532 1.939 -1.345 1.00 4.20 C ATOM 644 CG GLN A 41 -6.812 0.460 -1.663 1.00 3.20 C ATOM 645 CD GLN A 41 -5.805 -0.170 -2.607 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.645 -0.430 -2.292 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.191 -0.559 -3.868 1.00 7.13 N ATOM 0 H GLN A 41 -8.383 3.784 -1.952 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.940 1.990 0.338 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.491 2.487 -2.286 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.543 2.008 -0.893 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.824 -0.105 -0.731 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.807 0.375 -2.100 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.141 -0.373 -4.191 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.528 -1.034 -4.481 1.00 7.13 H new ATOM 656 N ARG A 42 -6.456 3.636 1.552 1.00 5.73 N ATOM 657 CA ARG A 42 -5.365 4.319 2.195 1.00 6.97 C ATOM 658 C ARG A 42 -4.403 3.304 2.708 1.00 7.15 C ATOM 659 O ARG A 42 -4.773 2.295 3.228 1.00 7.33 O ATOM 660 CB ARG A 42 -5.801 5.099 3.369 1.00 13.23 C ATOM 661 CG ARG A 42 -6.922 6.159 3.049 1.00 21.27 C ATOM 662 CD ARG A 42 -6.815 7.315 3.996 1.00 26.14 C ATOM 663 NE ARG A 42 -7.586 8.458 3.370 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.829 8.819 3.734 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.568 8.151 4.596 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.316 9.980 3.238 1.00 36.39 N ATOM 0 H ARG A 42 -6.986 3.039 2.187 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.929 4.989 1.454 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.170 4.414 4.132 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.938 5.613 3.792 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.822 6.509 2.022 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.906 5.698 3.134 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.228 7.057 4.971 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.773 7.591 4.154 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.134 8.988 2.625 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.203 7.304 5.031 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.505 8.481 4.828 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.744 10.547 2.612 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.255 10.288 3.491 1.00 36.39 H new ATOM 680 N LEU A 43 -3.068 3.573 2.636 1.00 4.65 N ATOM 681 CA LEU A 43 -2.094 2.715 3.182 1.00 3.51 C ATOM 682 C LEU A 43 -1.372 3.467 4.277 1.00 5.56 C ATOM 683 O LEU A 43 -0.987 4.646 4.172 1.00 4.19 O ATOM 684 CB LEU A 43 -1.063 2.217 2.094 1.00 3.74 C ATOM 685 CG LEU A 43 -1.818 1.377 1.056 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.939 1.243 -0.197 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.973 -0.053 1.590 1.00 6.41 C ATOM 0 H LEU A 43 -2.684 4.405 2.187 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.586 1.827 3.577 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.579 3.067 1.614 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.276 1.624 2.561 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.779 1.847 0.847 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.461 0.648 -0.946 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.729 2.233 -0.602 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.002 0.753 0.067 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.509 -0.658 0.859 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.988 -0.484 1.766 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.533 -0.034 2.525 1.00 6.41 H new ATOM 699 N ILE A 44 -1.132 2.753 5.395 1.00 4.58 N ATOM 700 CA ILE A 44 -0.459 3.224 6.585 1.00 5.55 C ATOM 701 C ILE A 44 0.734 2.377 6.950 1.00 5.46 C ATOM 702 O ILE A 44 0.688 1.158 6.939 1.00 6.04 O ATOM 703 CB ILE A 44 -1.446 3.576 7.797 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.352 4.714 7.370 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.555 4.113 9.007 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.331 5.227 8.447 1.00 13.90 C ATOM 0 H ILE A 44 -1.426 1.780 5.479 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.036 4.196 6.330 1.00 5.55 H new ATOM 0 HB ILE A 44 -2.029 2.699 8.080 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.730 5.547 7.044 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.930 4.390 6.504 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.199 4.362 9.850 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.154 3.341 9.307 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.010 5.003 8.691 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.930 6.040 8.036 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.987 4.414 8.759 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.768 5.590 9.307 1.00 13.90 H new ATOM 718 N PHE A 45 1.957 2.990 7.237 1.00 6.75 N ATOM 719 CA PHE A 45 3.137 2.292 7.553 1.00 4.70 C ATOM 720 C PHE A 45 3.947 3.060 8.545 1.00 6.34 C ATOM 721 O PHE A 45 4.134 4.260 8.275 1.00 5.45 O ATOM 722 CB PHE A 45 3.921 1.817 6.252 1.00 5.51 C ATOM 723 CG PHE A 45 5.359 1.439 6.497 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.405 2.388 6.610 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.661 0.106 6.604 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.705 2.001 6.992 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.970 -0.312 7.014 1.00 6.68 C ATOM 728 CZ PHE A 45 8.005 0.609 7.081 1.00 6.84 C ATOM 0 H PHE A 45 2.078 4.003 7.236 1.00 6.75 H new ATOM 0 HA PHE A 45 2.879 1.357 8.049 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.401 0.961 5.821 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.889 2.616 5.511 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.202 3.428 6.399 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.908 -0.634 6.378 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.458 2.743 7.213 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.150 -1.345 7.271 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.026 0.276 7.199 1.00 6.84 H new ATOM 738 N ALA A 46 4.360 2.476 9.676 1.00 6.53 N ATOM 739 CA ALA A 46 5.041 3.190 10.753 1.00 7.15 C ATOM 740 C ALA A 46 4.340 4.474 11.197 1.00 9.00 C ATOM 741 O ALA A 46 5.022 5.412 11.595 1.00 11.15 O ATOM 742 CB ALA A 46 6.477 3.481 10.391 1.00 8.99 C ATOM 0 H ALA A 46 4.227 1.483 9.868 1.00 6.53 H new ATOM 0 HA ALA A 46 5.008 2.514 11.607 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.958 4.013 11.212 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.003 2.544 10.208 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.508 4.096 9.492 1.00 8.99 H new ATOM 748 N GLY A 47 2.979 4.475 11.308 1.00 9.35 N ATOM 749 CA GLY A 47 2.035 5.573 11.689 1.00 11.68 C ATOM 750 C GLY A 47 2.014 6.636 10.651 1.00 11.14 C ATOM 751 O GLY A 47 1.629 7.784 10.959 1.00 13.93 O ATOM 0 H GLY A 47 2.461 3.618 11.113 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.032 5.167 11.820 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.334 6.000 12.647 1.00 11.68 H new ATOM 755 N LYS A 48 2.437 6.333 9.397 1.00 10.47 N ATOM 756 CA LYS A 48 2.486 7.276 8.206 1.00 8.82 C ATOM 757 C LYS A 48 1.442 6.940 7.184 1.00 7.68 C ATOM 758 O LYS A 48 1.430 5.819 6.645 1.00 6.47 O ATOM 759 CB LYS A 48 3.867 7.266 7.534 1.00 9.74 C ATOM 760 CG LYS A 48 5.032 7.307 8.554 1.00 14.14 C ATOM 761 CD LYS A 48 6.422 7.186 7.832 1.00 16.32 C ATOM 762 CE LYS A 48 7.606 7.155 8.793 1.00 20.04 C ATOM 763 NZ LYS A 48 7.532 8.384 9.669 1.00 23.92 N ATOM 0 H LYS A 48 2.769 5.398 9.159 1.00 10.47 H new ATOM 0 HA LYS A 48 2.286 8.273 8.599 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.960 6.371 6.919 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.946 8.122 6.864 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.992 8.238 9.119 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.920 6.494 9.272 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.431 6.279 7.228 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.541 8.026 7.148 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.578 6.251 9.402 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.545 7.138 8.240 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.432 8.504 10.176 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.354 9.221 9.078 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.759 8.274 10.356 1.00 23.92 H new ATOM 777 N GLN A 49 0.521 7.905 6.770 1.00 8.89 N ATOM 778 CA GLN A 49 -0.330 7.780 5.623 1.00 7.18 C ATOM 779 C GLN A 49 0.394 7.960 4.282 1.00 8.23 C ATOM 780 O GLN A 49 0.793 9.054 3.914 1.00 9.70 O ATOM 781 CB GLN A 49 -1.470 8.879 5.855 1.00 11.67 C ATOM 782 CG GLN A 49 -2.755 8.739 5.074 1.00 15.82 C ATOM 783 CD GLN A 49 -3.893 9.803 5.395 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.853 9.409 6.040 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.765 11.096 5.040 1.00 20.67 N ATOM 0 H GLN A 49 0.390 8.785 7.269 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.730 6.769 5.542 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.722 8.881 6.916 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.044 9.856 5.626 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.518 8.801 4.012 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.158 7.742 5.253 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.954 11.399 4.501 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.479 11.772 5.310 1.00 20.67 H new ATOM 794 N LEU A 50 0.599 6.855 3.592 1.00 6.51 N ATOM 795 CA LEU A 50 1.512 6.824 2.411 1.00 7.41 C ATOM 796 C LEU A 50 1.004 7.658 1.193 1.00 8.27 C ATOM 797 O LEU A 50 -0.055 7.403 0.627 1.00 8.34 O ATOM 798 CB LEU A 50 1.844 5.406 2.025 1.00 7.13 C ATOM 799 CG LEU A 50 2.339 4.523 3.196 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.739 3.157 2.686 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.523 5.207 3.981 1.00 9.11 C ATOM 0 H LEU A 50 0.160 5.960 3.808 1.00 6.51 H new ATOM 0 HA LEU A 50 2.431 7.319 2.726 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.959 4.945 1.587 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.610 5.423 1.250 1.00 7.13 H new ATOM 0 HG LEU A 50 1.516 4.404 3.901 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.085 2.545 3.519 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.880 2.678 2.216 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.540 3.262 1.955 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.843 4.557 4.795 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.359 5.377 3.303 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.187 6.160 4.389 1.00 9.11 H new ATOM 813 N GLU A 51 1.770 8.706 0.811 1.00 9.43 N ATOM 814 CA GLU A 51 1.472 9.599 -0.293 1.00 11.90 C ATOM 815 C GLU A 51 1.675 8.938 -1.713 1.00 11.49 C ATOM 816 O GLU A 51 2.611 8.134 -1.883 1.00 9.88 O ATOM 817 CB GLU A 51 2.227 10.908 -0.218 1.00 16.56 C ATOM 818 CG GLU A 51 1.861 11.891 0.925 1.00 26.06 C ATOM 819 CD GLU A 51 2.703 13.144 0.877 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.763 13.080 0.296 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.243 14.154 1.529 1.00 32.13 O ATOM 0 H GLU A 51 2.638 8.947 1.290 1.00 9.43 H new ATOM 0 HA GLU A 51 0.409 9.814 -0.180 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.289 10.677 -0.134 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.088 11.429 -1.165 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.807 12.158 0.851 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.998 11.397 1.887 1.00 26.06 H new ATOM 828 N ASP A 52 0.871 9.251 -2.733 1.00 12.71 N ATOM 829 CA ASP A 52 0.806 8.494 -3.934 1.00 16.56 C ATOM 830 C ASP A 52 2.102 8.393 -4.725 1.00 15.83 C ATOM 831 O ASP A 52 2.615 7.313 -4.951 1.00 17.21 O ATOM 832 CB ASP A 52 -0.215 9.124 -4.882 1.00 21.05 C ATOM 833 CG ASP A 52 -1.619 9.243 -4.260 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.746 10.015 -3.309 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.544 8.680 -4.815 1.00 28.37 O ATOM 0 H ASP A 52 0.246 10.057 -2.723 1.00 12.71 H new ATOM 0 HA ASP A 52 0.544 7.491 -3.597 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.132 10.115 -5.175 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.276 8.526 -5.791 1.00 21.05 H new ATOM 840 N GLY A 53 2.657 9.511 -5.204 1.00 15.00 N ATOM 841 CA GLY A 53 3.727 9.705 -6.242 1.00 11.77 C ATOM 842 C GLY A 53 5.046 9.370 -5.634 1.00 11.10 C ATOM 843 O GLY A 53 6.097 9.406 -6.309 1.00 11.25 O ATOM 0 H GLY A 53 2.347 10.415 -4.847 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.536 9.068 -7.106 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.726 10.735 -6.599 1.00 11.77 H new ATOM 847 N ARG A 54 5.074 9.106 -4.351 1.00 8.53 N ATOM 848 CA ARG A 54 6.167 8.599 -3.587 1.00 9.05 C ATOM 849 C ARG A 54 6.582 7.191 -4.058 1.00 8.96 C ATOM 850 O ARG A 54 5.756 6.277 -4.293 1.00 11.60 O ATOM 851 CB ARG A 54 6.061 8.738 -2.048 1.00 7.97 C ATOM 852 CG ARG A 54 5.755 10.148 -1.505 1.00 9.62 C ATOM 853 CD ARG A 54 6.739 11.255 -1.834 1.00 12.20 C ATOM 854 NE ARG A 54 6.174 12.378 -1.071 1.00 18.23 N ATOM 855 CZ ARG A 54 6.731 13.602 -1.017 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.804 13.979 -1.633 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.158 14.524 -0.284 1.00 23.38 N ATOM 0 H ARG A 54 4.250 9.258 -3.769 1.00 8.53 H new ATOM 0 HA ARG A 54 6.989 9.280 -3.809 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.282 8.061 -1.697 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.000 8.400 -1.609 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.776 10.447 -1.879 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.675 10.080 -0.420 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.753 11.011 -1.517 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.781 11.464 -2.903 1.00 12.20 H new ATOM 0 HE ARG A 54 5.310 12.220 -0.553 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.309 13.321 -2.227 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.145 14.934 -1.525 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.305 14.308 0.233 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.564 15.458 -0.230 1.00 23.38 H new ATOM 871 N THR A 55 7.855 6.932 -4.104 1.00 9.05 N ATOM 872 CA THR A 55 8.294 5.530 -4.321 1.00 9.03 C ATOM 873 C THR A 55 8.577 4.739 -3.017 1.00 8.15 C ATOM 874 O THR A 55 8.746 5.378 -1.955 1.00 5.91 O ATOM 875 CB THR A 55 9.569 5.407 -5.118 1.00 11.15 C ATOM 876 OG1 THR A 55 10.699 5.921 -4.401 1.00 11.95 O ATOM 877 CG2 THR A 55 9.481 6.149 -6.445 1.00 11.71 C ATOM 0 H THR A 55 8.602 7.619 -4.002 1.00 9.05 H new ATOM 0 HA THR A 55 7.439 5.118 -4.857 1.00 9.03 H new ATOM 0 HB THR A 55 9.701 4.340 -5.299 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.409 5.245 -4.381 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.419 6.036 -6.988 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.666 5.737 -7.039 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.295 7.207 -6.259 1.00 11.71 H new ATOM 885 N LEU A 56 8.634 3.401 -3.120 1.00 6.91 N ATOM 886 CA LEU A 56 8.825 2.449 -1.999 1.00 8.29 C ATOM 887 C LEU A 56 10.230 2.712 -1.407 1.00 8.05 C ATOM 888 O LEU A 56 10.370 2.868 -0.245 1.00 10.17 O ATOM 889 CB LEU A 56 8.679 0.961 -2.454 1.00 6.60 C ATOM 890 CG LEU A 56 7.251 0.395 -2.518 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.352 -0.978 -3.252 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.544 0.229 -1.192 1.00 8.64 C ATOM 0 H LEU A 56 8.545 2.928 -4.019 1.00 6.91 H new ATOM 0 HA LEU A 56 8.050 2.607 -1.249 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.129 0.862 -3.442 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.261 0.339 -1.774 1.00 6.60 H new ATOM 0 HG LEU A 56 6.634 1.124 -3.044 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.361 -1.425 -3.325 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.756 -0.827 -4.253 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.010 -1.643 -2.692 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.546 -0.177 -1.360 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.112 -0.454 -0.560 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.463 1.198 -0.699 1.00 8.64 H new ATOM 904 N SER A 57 11.231 3.027 -2.268 1.00 8.92 N ATOM 905 CA SER A 57 12.512 3.458 -1.806 1.00 9.00 C ATOM 906 C SER A 57 12.590 4.799 -0.955 1.00 9.44 C ATOM 907 O SER A 57 13.249 4.898 0.101 1.00 10.91 O ATOM 908 CB SER A 57 13.553 3.405 -2.979 1.00 10.32 C ATOM 909 OG SER A 57 13.184 4.304 -3.961 1.00 13.59 O ATOM 0 H SER A 57 11.144 2.980 -3.283 1.00 8.92 H new ATOM 0 HA SER A 57 12.776 2.731 -1.038 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.549 3.645 -2.607 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.601 2.398 -3.392 1.00 10.32 H new ATOM 0 HG SER A 57 13.834 4.273 -4.694 1.00 13.59 H new ATOM 915 N ASP A 58 11.824 5.810 -1.440 1.00 9.11 N ATOM 916 CA ASP A 58 11.750 7.158 -0.863 1.00 7.91 C ATOM 917 C ASP A 58 10.975 7.158 0.428 1.00 9.12 C ATOM 918 O ASP A 58 11.125 8.048 1.244 1.00 8.61 O ATOM 919 CB ASP A 58 11.087 8.166 -1.897 1.00 8.41 C ATOM 920 CG ASP A 58 11.335 9.613 -1.572 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.478 10.060 -1.239 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.398 10.391 -1.584 1.00 10.05 O ATOM 0 H ASP A 58 11.231 5.698 -2.262 1.00 9.11 H new ATOM 0 HA ASP A 58 12.767 7.485 -0.648 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.472 7.955 -2.895 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.012 7.988 -1.926 1.00 8.41 H new ATOM 927 N TYR A 59 10.063 6.157 0.679 1.00 7.97 N ATOM 928 CA TYR A 59 9.429 5.962 1.980 1.00 8.45 C ATOM 929 C TYR A 59 10.181 5.007 2.858 1.00 10.98 C ATOM 930 O TYR A 59 9.790 4.742 4.015 1.00 12.95 O ATOM 931 CB TYR A 59 7.939 5.406 1.772 1.00 7.94 C ATOM 932 CG TYR A 59 6.856 6.400 2.007 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.661 6.983 3.251 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.100 6.861 0.879 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.718 7.986 3.470 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.177 7.839 1.123 1.00 6.52 C ATOM 937 CZ TYR A 59 4.990 8.479 2.427 1.00 6.76 C ATOM 938 OH TYR A 59 4.074 9.497 2.600 1.00 7.63 O ATOM 0 H TYR A 59 9.767 5.482 -0.026 1.00 7.97 H new ATOM 0 HA TYR A 59 9.421 6.932 2.477 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.848 5.027 0.754 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.786 4.560 2.442 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.263 6.647 4.082 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.252 6.457 -0.111 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.564 8.373 4.466 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.548 8.159 0.305 1.00 6.52 H new ATOM 0 HH TYR A 59 4.235 10.198 1.935 1.00 7.63 H new ATOM 948 N ASN A 60 11.400 4.447 2.470 1.00 12.38 N ATOM 949 CA ASN A 60 11.978 3.421 3.346 1.00 13.94 C ATOM 950 C ASN A 60 11.094 2.238 3.596 1.00 14.16 C ATOM 951 O ASN A 60 10.742 1.978 4.737 1.00 14.26 O ATOM 952 CB ASN A 60 12.652 3.933 4.550 1.00 19.23 C ATOM 953 CG ASN A 60 13.671 5.055 4.151 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.486 6.268 4.301 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.791 4.693 3.499 1.00 24.09 N ATOM 0 H ASN A 60 11.932 4.682 1.632 1.00 12.38 H new ATOM 0 HA ASN A 60 12.794 3.022 2.744 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.916 4.329 5.249 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.171 3.122 5.060 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.435 5.406 3.158 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.996 3.705 3.346 1.00 24.09 H new ATOM 962 N ILE A 61 10.711 1.453 2.538 1.00 11.08 N ATOM 963 CA ILE A 61 9.904 0.256 2.752 1.00 11.78 C ATOM 964 C ILE A 61 10.664 -0.852 2.068 1.00 13.74 C ATOM 965 O ILE A 61 10.570 -1.044 0.851 1.00 14.60 O ATOM 966 CB ILE A 61 8.517 0.450 2.085 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.758 1.514 2.862 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.716 -0.887 2.088 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.564 2.219 2.177 1.00 11.42 C ATOM 0 H ILE A 61 10.952 1.640 1.564 1.00 11.08 H new ATOM 0 HA ILE A 61 9.737 0.041 3.807 1.00 11.78 H new ATOM 0 HB ILE A 61 8.648 0.761 1.049 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.390 1.055 3.779 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.473 2.283 3.155 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.746 -0.731 1.616 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.271 -1.645 1.535 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.570 -1.221 3.115 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.131 2.949 2.861 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.909 2.727 1.276 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.809 1.479 1.910 1.00 11.42 H new ATOM 981 N GLN A 62 11.509 -1.596 2.788 1.00 13.97 N ATOM 982 CA GLN A 62 12.271 -2.610 2.158 1.00 15.52 C ATOM 983 C GLN A 62 11.537 -3.957 2.091 1.00 13.94 C ATOM 984 O GLN A 62 10.386 -4.104 2.538 1.00 12.15 O ATOM 985 CB GLN A 62 13.649 -2.788 2.850 1.00 19.53 C ATOM 986 CG GLN A 62 14.489 -1.472 2.672 1.00 26.38 C ATOM 987 CD GLN A 62 15.884 -1.796 3.207 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.645 -2.372 2.397 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.274 -1.394 4.455 1.00 32.71 N ATOM 0 H GLN A 62 11.662 -1.497 3.792 1.00 13.97 H new ATOM 0 HA GLN A 62 12.426 -2.276 1.132 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.512 -3.006 3.909 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.181 -3.635 2.416 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.531 -1.173 1.625 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.041 -0.644 3.222 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.608 -0.929 5.072 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.230 -1.560 4.769 1.00 32.71 H new ATOM 998 N LYS A 63 12.151 -5.000 1.523 1.00 11.73 N ATOM 999 CA LYS A 63 11.717 -6.354 1.422 1.00 11.97 C ATOM 1000 C LYS A 63 11.297 -6.939 2.714 1.00 10.41 C ATOM 1001 O LYS A 63 12.024 -6.684 3.732 1.00 9.59 O ATOM 1002 CB LYS A 63 12.916 -7.117 0.668 1.00 13.73 C ATOM 1003 CG LYS A 63 13.988 -7.728 1.537 1.00 16.98 C ATOM 1004 CD LYS A 63 14.938 -8.648 0.749 1.00 20.19 C ATOM 1005 CE LYS A 63 15.932 -9.236 1.710 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.895 -10.124 1.025 1.00 25.97 N ATOM 0 H LYS A 63 13.062 -4.878 1.081 1.00 11.73 H new ATOM 0 HA LYS A 63 10.795 -6.450 0.849 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.483 -7.908 0.056 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.392 -6.412 -0.013 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.566 -6.933 2.007 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.519 -8.298 2.339 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.376 -9.439 0.253 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.451 -8.085 -0.031 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.471 -8.433 2.213 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.404 -9.797 2.481 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.565 -10.511 1.720 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.382 -10.904 0.566 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.416 -9.582 0.306 1.00 25.97 H new ATOM 1020 N GLU A 64 10.162 -7.650 2.770 1.00 10.04 N ATOM 1021 CA GLU A 64 9.636 -8.201 4.007 1.00 10.94 C ATOM 1022 C GLU A 64 9.113 -7.095 4.969 1.00 9.74 C ATOM 1023 O GLU A 64 8.743 -7.444 6.121 1.00 9.42 O ATOM 1024 CB GLU A 64 10.628 -9.218 4.728 1.00 18.31 C ATOM 1025 CG GLU A 64 10.788 -10.492 3.841 1.00 24.16 C ATOM 1026 CD GLU A 64 11.605 -11.581 4.469 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.854 -11.304 4.614 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.139 -12.701 4.869 1.00 31.72 O ATOM 0 H GLU A 64 9.588 -7.854 1.952 1.00 10.04 H new ATOM 0 HA GLU A 64 8.774 -8.801 3.716 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.598 -8.747 4.888 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.240 -9.490 5.710 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.798 -10.885 3.607 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.249 -10.207 2.895 1.00 24.16 H new ATOM 1035 N SER A 65 8.983 -5.773 4.604 1.00 6.85 N ATOM 1036 CA SER A 65 8.253 -4.742 5.360 1.00 6.90 C ATOM 1037 C SER A 65 6.792 -5.055 5.404 1.00 4.72 C ATOM 1038 O SER A 65 6.204 -5.504 4.383 1.00 3.91 O ATOM 1039 CB SER A 65 8.233 -3.261 4.853 1.00 7.28 C ATOM 1040 OG SER A 65 9.599 -2.786 4.772 1.00 10.56 O ATOM 0 H SER A 65 9.402 -5.407 3.749 1.00 6.85 H new ATOM 0 HA SER A 65 8.821 -4.784 6.289 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.752 -3.201 3.877 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.654 -2.636 5.532 1.00 7.28 H new ATOM 0 HG SER A 65 10.076 -3.279 4.072 1.00 10.56 H new ATOM 1046 N THR A 66 6.013 -4.810 6.507 1.00 4.48 N ATOM 1047 CA THR A 66 4.600 -5.087 6.614 1.00 3.80 C ATOM 1048 C THR A 66 4.018 -3.776 6.758 1.00 4.60 C ATOM 1049 O THR A 66 4.444 -2.905 7.523 1.00 5.33 O ATOM 1050 CB THR A 66 4.257 -5.931 7.867 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.722 -7.235 7.643 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.749 -6.117 7.981 1.00 3.40 C ATOM 0 H THR A 66 6.397 -4.399 7.358 1.00 4.48 H new ATOM 0 HA THR A 66 4.238 -5.657 5.759 1.00 3.80 H new ATOM 0 HB THR A 66 4.683 -5.436 8.739 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.520 -7.793 8.423 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.522 -6.712 8.866 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.268 -5.143 8.065 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.378 -6.630 7.094 1.00 3.40 H new ATOM 1060 N LEU A 67 2.869 -3.636 6.104 1.00 4.17 N ATOM 1061 CA LEU A 67 2.255 -2.368 5.945 1.00 3.85 C ATOM 1062 C LEU A 67 0.839 -2.597 6.305 1.00 3.80 C ATOM 1063 O LEU A 67 0.334 -3.700 6.124 1.00 5.54 O ATOM 1064 CB LEU A 67 2.373 -1.828 4.508 1.00 7.18 C ATOM 1065 CG LEU A 67 3.750 -1.631 3.942 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.355 -2.795 3.072 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.046 -0.262 3.250 1.00 11.66 C ATOM 0 H LEU A 67 2.357 -4.409 5.679 1.00 4.17 H new ATOM 0 HA LEU A 67 2.738 -1.615 6.568 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.835 -2.510 3.849 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.854 -0.870 4.467 1.00 7.18 H new ATOM 0 HG LEU A 67 4.279 -1.640 4.895 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.352 -2.514 2.731 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.419 -3.702 3.672 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.714 -2.975 2.209 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.074 -0.253 2.887 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.363 -0.123 2.412 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.908 0.546 3.968 1.00 11.66 H new ATOM 1079 N HIS A 68 0.089 -1.553 6.686 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.315 -1.564 6.993 1.00 4.17 C ATOM 1081 C HIS A 68 -2.070 -1.049 5.806 1.00 5.32 C ATOM 1082 O HIS A 68 -1.596 -0.157 5.065 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.609 -0.776 8.300 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.813 -1.258 9.483 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.586 -0.980 9.697 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.134 -2.081 10.520 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.917 -1.591 10.884 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.127 -2.196 11.445 1.00 16.30 N ATOM 0 H HIS A 68 0.493 -0.622 6.789 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.652 -2.582 7.189 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.395 0.280 8.134 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.671 -0.854 8.531 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.083 -2.590 10.605 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.909 -1.581 11.311 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.169 -2.645 12.360 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.277 -1.650 5.590 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.199 -1.172 4.652 1.00 3.97 C ATOM 1098 C LEU A 69 -5.527 -0.789 5.321 1.00 5.07 C ATOM 1099 O LEU A 69 -6.145 -1.524 6.056 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.527 -2.188 3.485 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.775 -1.946 2.600 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.728 -0.669 1.801 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.120 -3.150 1.655 1.00 9.96 C ATOM 0 H LEU A 69 -3.589 -2.481 6.092 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.709 -0.302 4.216 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.659 -2.222 2.826 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.628 -3.178 3.930 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.578 -1.847 3.330 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.639 -0.576 1.209 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.647 0.181 2.478 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.864 -0.687 1.137 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.005 -2.908 1.066 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.280 -3.340 0.987 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.315 -4.039 2.255 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.951 0.491 5.111 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.247 1.058 5.572 1.00 6.26 C ATOM 1117 C VAL A 70 -8.109 1.322 4.367 1.00 9.22 C ATOM 1118 O VAL A 70 -7.623 1.777 3.375 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.969 2.303 6.390 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.219 2.859 6.973 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.976 2.055 7.572 1.00 8.54 C ATOM 0 H VAL A 70 -5.385 1.171 4.604 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.789 0.365 6.215 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.519 3.004 5.687 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.984 3.751 7.554 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.910 3.119 6.171 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.680 2.115 7.622 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.820 2.986 8.117 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.392 1.305 8.245 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.023 1.701 7.179 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.440 1.084 4.420 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.343 1.237 3.312 1.00 16.06 C ATOM 1133 C LEU A 71 -10.904 2.685 3.183 1.00 18.09 C ATOM 1134 O LEU A 71 -10.682 3.505 4.069 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.492 0.167 3.354 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.967 -1.203 2.870 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.042 -2.327 3.023 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.501 -1.207 1.419 1.00 19.57 C ATOM 0 H LEU A 71 -9.905 0.772 5.272 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.758 1.058 2.410 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.878 0.078 4.369 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.321 0.489 2.725 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.109 -1.399 3.513 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.631 -3.273 2.671 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.323 -2.421 4.072 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.922 -2.072 2.433 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.147 -2.203 1.153 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.332 -0.932 0.769 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.690 -0.489 1.295 1.00 19.57 H new