USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 439 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.0983) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.0387 (180deg=-0.28) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.238 (180deg=-0.537) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0279) USER MOD Single : A 24 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.741 -7.303 3.829 1.00 0.00 N ATOM 2 CA MET A 1 -17.358 -6.768 2.621 1.00 0.00 C ATOM 3 C MET A 1 -16.326 -6.613 1.507 1.00 0.00 C ATOM 4 O MET A 1 -16.335 -5.626 0.773 1.00 0.00 O ATOM 5 CB MET A 1 -18.015 -5.418 2.913 1.00 0.00 C ATOM 6 CG MET A 1 -19.226 -5.130 2.040 1.00 0.00 C ATOM 7 SD MET A 1 -20.589 -4.395 2.963 1.00 0.00 S ATOM 8 CE MET A 1 -20.715 -2.796 2.165 1.00 0.00 C ATOM 0 H1 MET A 1 -17.415 -7.242 4.619 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.478 -8.297 3.674 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.889 -6.752 4.057 1.00 0.00 H new ATOM 0 HA MET A 1 -18.122 -7.472 2.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.317 -5.389 3.960 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.279 -4.627 2.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.935 -4.458 1.232 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.564 -6.057 1.577 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.518 -2.221 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.773 -2.259 2.276 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.931 -2.934 1.106 1.00 0.00 H new ATOM 18 N ALA A 2 -15.439 -7.595 1.388 1.00 0.00 N ATOM 19 CA ALA A 2 -14.403 -7.569 0.363 1.00 0.00 C ATOM 20 C ALA A 2 -13.512 -6.340 0.515 1.00 0.00 C ATOM 21 O ALA A 2 -12.819 -5.944 -0.422 1.00 0.00 O ATOM 22 CB ALA A 2 -15.030 -7.600 -1.023 1.00 0.00 C ATOM 0 H ALA A 2 -15.417 -8.419 1.989 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.781 -8.455 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.244 -7.580 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.619 -8.510 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.677 -6.732 -1.149 1.00 0.00 H new ATOM 28 N VAL A 3 -13.535 -5.741 1.701 1.00 0.00 N ATOM 29 CA VAL A 3 -12.729 -4.558 1.976 1.00 0.00 C ATOM 30 C VAL A 3 -11.291 -4.938 2.312 1.00 0.00 C ATOM 31 O VAL A 3 -10.359 -4.177 2.052 1.00 0.00 O ATOM 32 CB VAL A 3 -13.316 -3.736 3.139 1.00 0.00 C ATOM 33 CG1 VAL A 3 -12.546 -2.436 3.317 1.00 0.00 C ATOM 34 CG2 VAL A 3 -14.794 -3.462 2.903 1.00 0.00 C ATOM 0 H VAL A 3 -14.103 -6.056 2.487 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.739 -3.951 1.071 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.219 -4.316 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.975 -1.869 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.501 -2.659 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.609 -1.848 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.193 -2.880 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -14.917 -2.902 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -15.332 -4.407 2.830 1.00 0.00 H new ATOM 44 N LYS A 4 -11.118 -6.121 2.892 1.00 0.00 N ATOM 45 CA LYS A 4 -9.794 -6.605 3.263 1.00 0.00 C ATOM 46 C LYS A 4 -8.834 -6.525 2.081 1.00 0.00 C ATOM 47 O LYS A 4 -7.683 -6.112 2.229 1.00 0.00 O ATOM 48 CB LYS A 4 -9.879 -8.047 3.768 1.00 0.00 C ATOM 49 CG LYS A 4 -9.256 -8.249 5.139 1.00 0.00 C ATOM 50 CD LYS A 4 -10.285 -8.100 6.246 1.00 0.00 C ATOM 51 CE LYS A 4 -11.286 -9.245 6.236 1.00 0.00 C ATOM 52 NZ LYS A 4 -11.705 -9.628 7.613 1.00 0.00 N ATOM 0 H LYS A 4 -11.879 -6.762 3.115 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.413 -5.968 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.926 -8.349 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.384 -8.703 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.804 -9.239 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.455 -7.525 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.780 -8.066 7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.813 -7.153 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.163 -8.956 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.845 -10.108 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.387 -10.411 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.872 -9.929 8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.149 -8.812 8.080 1.00 0.00 H new ATOM 66 N LEU A 5 -9.314 -6.920 0.907 1.00 0.00 N ATOM 67 CA LEU A 5 -8.499 -6.891 -0.303 1.00 0.00 C ATOM 68 C LEU A 5 -7.908 -5.503 -0.528 1.00 0.00 C ATOM 69 O LEU A 5 -6.700 -5.355 -0.712 1.00 0.00 O ATOM 70 CB LEU A 5 -9.335 -7.304 -1.515 1.00 0.00 C ATOM 71 CG LEU A 5 -8.990 -8.657 -2.139 1.00 0.00 C ATOM 72 CD1 LEU A 5 -9.561 -9.792 -1.303 1.00 0.00 C ATOM 73 CD2 LEU A 5 -9.506 -8.732 -3.569 1.00 0.00 C ATOM 0 H LEU A 5 -10.264 -7.264 0.767 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.680 -7.599 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.384 -7.320 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.231 -6.536 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.905 -8.760 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.305 -10.747 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.142 -9.750 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.645 -9.694 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.252 -9.702 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.589 -8.607 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.048 -7.941 -4.163 1.00 0.00 H new ATOM 85 N MET A 6 -8.767 -4.489 -0.508 1.00 0.00 N ATOM 86 CA MET A 6 -8.328 -3.113 -0.707 1.00 0.00 C ATOM 87 C MET A 6 -7.666 -2.944 -2.070 1.00 0.00 C ATOM 88 O MET A 6 -6.444 -3.022 -2.191 1.00 0.00 O ATOM 89 CB MET A 6 -7.356 -2.700 0.400 1.00 0.00 C ATOM 90 CG MET A 6 -8.029 -2.008 1.574 1.00 0.00 C ATOM 91 SD MET A 6 -7.102 -0.576 2.161 1.00 0.00 S ATOM 92 CE MET A 6 -6.382 -1.233 3.663 1.00 0.00 C ATOM 0 H MET A 6 -9.770 -4.594 -0.356 1.00 0.00 H new ATOM 0 HA MET A 6 -9.207 -2.469 -0.668 1.00 0.00 H new ATOM 0 HB2 MET A 6 -6.833 -3.585 0.762 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.602 -2.034 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 6 -9.030 -1.692 1.279 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.147 -2.720 2.391 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.777 -0.464 4.143 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.176 -1.546 4.341 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.753 -2.090 3.421 1.00 0.00 H new ATOM 102 N GLY A 7 -8.481 -2.713 -3.095 1.00 0.00 N ATOM 103 CA GLY A 7 -7.955 -2.538 -4.436 1.00 0.00 C ATOM 104 C GLY A 7 -9.004 -2.037 -5.409 1.00 0.00 C ATOM 105 O GLY A 7 -9.307 -0.844 -5.447 1.00 0.00 O ATOM 0 H GLY A 7 -9.496 -2.644 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.124 -1.833 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.556 -3.487 -4.793 1.00 0.00 H new ATOM 109 N VAL A 8 -9.559 -2.949 -6.201 1.00 0.00 N ATOM 110 CA VAL A 8 -10.580 -2.594 -7.179 1.00 0.00 C ATOM 111 C VAL A 8 -11.804 -1.990 -6.501 1.00 0.00 C ATOM 112 O VAL A 8 -12.472 -1.121 -7.063 1.00 0.00 O ATOM 113 CB VAL A 8 -11.015 -3.818 -8.006 1.00 0.00 C ATOM 114 CG1 VAL A 8 -11.637 -4.876 -7.107 1.00 0.00 C ATOM 115 CG2 VAL A 8 -11.984 -3.402 -9.103 1.00 0.00 C ATOM 0 H VAL A 8 -9.318 -3.940 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.136 -1.854 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.132 -4.249 -8.477 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.938 -5.733 -7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.908 -5.194 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.511 -4.460 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.281 -4.279 -9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.867 -2.946 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.499 -2.683 -9.763 1.00 0.00 H new ATOM 125 N ASP A 9 -12.093 -2.456 -5.291 1.00 0.00 N ATOM 126 CA ASP A 9 -13.237 -1.961 -4.535 1.00 0.00 C ATOM 127 C ASP A 9 -13.019 -0.513 -4.104 1.00 0.00 C ATOM 128 O ASP A 9 -13.973 0.246 -3.935 1.00 0.00 O ATOM 129 CB ASP A 9 -13.483 -2.839 -3.307 1.00 0.00 C ATOM 130 CG ASP A 9 -14.385 -4.020 -3.611 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.121 -4.726 -4.606 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.354 -4.236 -2.854 1.00 0.00 O ATOM 0 H ASP A 9 -11.551 -3.176 -4.813 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.113 -2.001 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.528 -3.203 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.932 -2.237 -2.517 1.00 0.00 H new ATOM 137 N LYS A 10 -11.757 -0.138 -3.927 1.00 0.00 N ATOM 138 CA LYS A 10 -11.412 1.218 -3.516 1.00 0.00 C ATOM 139 C LYS A 10 -11.526 2.187 -4.689 1.00 0.00 C ATOM 140 O LYS A 10 -12.173 3.229 -4.584 1.00 0.00 O ATOM 141 CB LYS A 10 -9.992 1.254 -2.946 1.00 0.00 C ATOM 142 CG LYS A 10 -9.754 2.401 -1.979 1.00 0.00 C ATOM 143 CD LYS A 10 -9.365 3.675 -2.709 1.00 0.00 C ATOM 144 CE LYS A 10 -9.084 4.811 -1.738 1.00 0.00 C ATOM 145 NZ LYS A 10 -7.962 4.485 -0.814 1.00 0.00 N ATOM 0 H LYS A 10 -10.955 -0.754 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.115 1.527 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.790 0.312 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.281 1.330 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.656 2.577 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.966 2.128 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.481 3.490 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.167 3.966 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.843 5.715 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.982 5.024 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.633 5.354 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.290 3.809 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.179 4.064 -1.354 1.00 0.00 H new ATOM 159 N ILE A 11 -10.894 1.836 -5.804 1.00 0.00 N ATOM 160 CA ILE A 11 -10.927 2.674 -6.996 1.00 0.00 C ATOM 161 C ILE A 11 -12.333 2.740 -7.583 1.00 0.00 C ATOM 162 O ILE A 11 -12.766 3.784 -8.071 1.00 0.00 O ATOM 163 CB ILE A 11 -9.957 2.157 -8.074 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.275 0.701 -8.422 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.518 2.292 -7.600 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.277 0.553 -9.546 1.00 0.00 C ATOM 0 H ILE A 11 -10.353 0.977 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.617 3.673 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.081 2.761 -8.973 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.352 0.192 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.660 0.200 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.844 1.922 -8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.298 3.340 -7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.379 1.710 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.454 -0.505 -9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.214 1.032 -9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.885 1.025 -10.447 1.00 0.00 H new ATOM 178 N LYS A 12 -13.044 1.618 -7.530 1.00 0.00 N ATOM 179 CA LYS A 12 -14.403 1.547 -8.053 1.00 0.00 C ATOM 180 C LYS A 12 -15.371 2.315 -7.158 1.00 0.00 C ATOM 181 O LYS A 12 -16.406 2.797 -7.618 1.00 0.00 O ATOM 182 CB LYS A 12 -14.850 0.089 -8.173 1.00 0.00 C ATOM 183 CG LYS A 12 -16.324 -0.071 -8.505 1.00 0.00 C ATOM 184 CD LYS A 12 -17.133 -0.460 -7.279 1.00 0.00 C ATOM 185 CE LYS A 12 -18.274 0.515 -7.032 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.424 -0.140 -6.349 1.00 0.00 N ATOM 0 H LYS A 12 -12.701 0.745 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.409 2.005 -9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.257 -0.401 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.640 -0.425 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.709 0.863 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.444 -0.831 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.534 -1.465 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.481 -0.488 -6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.916 1.346 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.606 0.934 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.943 0.566 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.061 -0.553 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.073 -0.891 -5.721 1.00 0.00 H new ATOM 200 N SER A 13 -15.026 2.426 -5.879 1.00 0.00 N ATOM 201 CA SER A 13 -15.866 3.133 -4.920 1.00 0.00 C ATOM 202 C SER A 13 -15.475 4.606 -4.838 1.00 0.00 C ATOM 203 O SER A 13 -16.290 5.459 -4.486 1.00 0.00 O ATOM 204 CB SER A 13 -15.754 2.486 -3.538 1.00 0.00 C ATOM 205 OG SER A 13 -16.645 3.093 -2.618 1.00 0.00 O ATOM 0 H SER A 13 -14.171 2.035 -5.483 1.00 0.00 H new ATOM 0 HA SER A 13 -16.899 3.068 -5.261 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.973 1.421 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.731 2.576 -3.172 1.00 0.00 H new ATOM 0 HG SER A 13 -16.556 2.661 -1.743 1.00 0.00 H new ATOM 211 N LYS A 14 -14.221 4.897 -5.165 1.00 0.00 N ATOM 212 CA LYS A 14 -13.718 6.266 -5.131 1.00 0.00 C ATOM 213 C LYS A 14 -14.486 7.152 -6.107 1.00 0.00 C ATOM 214 O LYS A 14 -15.232 8.041 -5.697 1.00 0.00 O ATOM 215 CB LYS A 14 -12.226 6.292 -5.467 1.00 0.00 C ATOM 216 CG LYS A 14 -11.468 7.419 -4.786 1.00 0.00 C ATOM 217 CD LYS A 14 -12.111 8.768 -5.061 1.00 0.00 C ATOM 218 CE LYS A 14 -12.111 9.093 -6.547 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.294 10.299 -6.851 1.00 0.00 N ATOM 0 H LYS A 14 -13.533 4.203 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.863 6.655 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.781 5.340 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.107 6.386 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.438 7.241 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.436 7.428 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.135 8.767 -4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.574 9.546 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.722 8.241 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.135 9.254 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.320 10.487 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.680 11.118 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.311 10.136 -6.553 1.00 0.00 H new ATOM 233 N ILE A 15 -14.298 6.902 -7.398 1.00 0.00 N ATOM 234 CA ILE A 15 -14.975 7.676 -8.431 1.00 0.00 C ATOM 235 C ILE A 15 -16.490 7.547 -8.312 1.00 0.00 C ATOM 236 O ILE A 15 -17.225 8.514 -8.517 1.00 0.00 O ATOM 237 CB ILE A 15 -14.543 7.232 -9.841 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.018 7.137 -9.925 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.078 8.198 -10.888 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.512 5.729 -10.144 1.00 0.00 C ATOM 0 H ILE A 15 -13.683 6.170 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.689 8.717 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.961 6.245 -10.039 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.667 7.771 -10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.586 7.531 -9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.764 7.871 -11.879 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.167 8.219 -10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.687 9.197 -10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.423 5.737 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.833 5.094 -9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.915 5.339 -11.079 1.00 0.00 H new ATOM 252 N LEU A 16 -16.951 6.347 -7.976 1.00 0.00 N ATOM 253 CA LEU A 16 -18.379 6.090 -7.827 1.00 0.00 C ATOM 254 C LEU A 16 -18.972 6.946 -6.711 1.00 0.00 C ATOM 255 O LEU A 16 -19.918 7.702 -6.932 1.00 0.00 O ATOM 256 CB LEU A 16 -18.623 4.609 -7.533 1.00 0.00 C ATOM 257 CG LEU A 16 -20.027 4.243 -7.049 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.418 2.859 -7.542 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.101 4.311 -5.530 1.00 0.00 C ATOM 0 H LEU A 16 -16.356 5.537 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 16 -18.870 6.354 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.413 4.040 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.905 4.286 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 16 -20.732 4.965 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -21.420 2.616 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -20.405 2.844 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -19.710 2.123 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -21.107 4.048 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.384 3.612 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.865 5.322 -5.199 1.00 0.00 H new ATOM 271 N ASP A 17 -18.408 6.822 -5.515 1.00 0.00 N ATOM 272 CA ASP A 17 -18.878 7.587 -4.366 1.00 0.00 C ATOM 273 C ASP A 17 -18.618 9.077 -4.561 1.00 0.00 C ATOM 274 O ASP A 17 -19.432 9.915 -4.173 1.00 0.00 O ATOM 275 CB ASP A 17 -18.193 7.100 -3.088 1.00 0.00 C ATOM 276 CG ASP A 17 -18.768 7.743 -1.841 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.902 7.386 -1.460 1.00 0.00 O ATOM 278 OD2 ASP A 17 -18.085 8.604 -1.248 1.00 0.00 O ATOM 0 H ASP A 17 -17.625 6.199 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.953 7.434 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.295 6.017 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.126 7.317 -3.146 1.00 0.00 H new ATOM 283 N ASP A 18 -17.479 9.400 -5.163 1.00 0.00 N ATOM 284 CA ASP A 18 -17.111 10.789 -5.410 1.00 0.00 C ATOM 285 C ASP A 18 -18.086 11.445 -6.383 1.00 0.00 C ATOM 286 O ASP A 18 -18.578 12.546 -6.137 1.00 0.00 O ATOM 287 CB ASP A 18 -15.687 10.872 -5.962 1.00 0.00 C ATOM 288 CG ASP A 18 -15.213 12.302 -6.129 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.193 13.041 -5.123 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.864 12.683 -7.266 1.00 0.00 O ATOM 0 H ASP A 18 -16.794 8.718 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.156 11.325 -4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.009 10.344 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.644 10.363 -6.925 1.00 0.00 H new ATOM 295 N ALA A 19 -18.361 10.760 -7.489 1.00 0.00 N ATOM 296 CA ALA A 19 -19.277 11.276 -8.498 1.00 0.00 C ATOM 297 C ALA A 19 -20.660 11.528 -7.907 1.00 0.00 C ATOM 298 O ALA A 19 -21.130 12.665 -7.863 1.00 0.00 O ATOM 299 CB ALA A 19 -19.370 10.309 -9.669 1.00 0.00 C ATOM 0 H ALA A 19 -17.962 9.847 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.885 12.228 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.058 10.707 -10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.384 10.182 -10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.736 9.345 -9.316 1.00 0.00 H new ATOM 305 N LYS A 20 -21.308 10.460 -7.454 1.00 0.00 N ATOM 306 CA LYS A 20 -22.638 10.564 -6.865 1.00 0.00 C ATOM 307 C LYS A 20 -22.669 11.636 -5.780 1.00 0.00 C ATOM 308 O LYS A 20 -23.662 12.346 -5.625 1.00 0.00 O ATOM 309 CB LYS A 20 -23.066 9.217 -6.279 1.00 0.00 C ATOM 310 CG LYS A 20 -24.038 8.452 -7.159 1.00 0.00 C ATOM 311 CD LYS A 20 -23.441 8.158 -8.526 1.00 0.00 C ATOM 312 CE LYS A 20 -22.322 7.132 -8.436 1.00 0.00 C ATOM 313 NZ LYS A 20 -22.547 5.985 -9.359 1.00 0.00 N ATOM 0 H LYS A 20 -20.933 9.512 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.336 10.848 -7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -22.180 8.604 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.525 9.384 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -24.312 7.516 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -24.955 9.030 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -24.221 7.790 -9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -23.057 9.080 -8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.371 7.609 -8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -22.247 6.765 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.717 5.359 -9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -23.387 5.453 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.695 6.341 -10.325 1.00 0.00 H new ATOM 327 N ALA A 21 -21.576 11.748 -5.033 1.00 0.00 N ATOM 328 CA ALA A 21 -21.478 12.735 -3.965 1.00 0.00 C ATOM 329 C ALA A 21 -21.487 14.153 -4.526 1.00 0.00 C ATOM 330 O ALA A 21 -22.128 15.045 -3.972 1.00 0.00 O ATOM 331 CB ALA A 21 -20.220 12.499 -3.142 1.00 0.00 C ATOM 0 H ALA A 21 -20.745 11.167 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.348 12.622 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.160 13.243 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.254 11.502 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.344 12.582 -3.785 1.00 0.00 H new ATOM 337 N GLU A 22 -20.770 14.353 -5.628 1.00 0.00 N ATOM 338 CA GLU A 22 -20.695 15.664 -6.262 1.00 0.00 C ATOM 339 C GLU A 22 -22.079 16.137 -6.700 1.00 0.00 C ATOM 340 O GLU A 22 -22.416 17.313 -6.566 1.00 0.00 O ATOM 341 CB GLU A 22 -19.755 15.619 -7.468 1.00 0.00 C ATOM 342 CG GLU A 22 -18.855 16.838 -7.584 1.00 0.00 C ATOM 343 CD GLU A 22 -17.764 16.660 -8.622 1.00 0.00 C ATOM 344 OE1 GLU A 22 -17.795 15.646 -9.350 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.878 17.537 -8.706 1.00 0.00 O ATOM 0 H GLU A 22 -20.234 13.625 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.303 16.371 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.135 14.725 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.349 15.528 -8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.459 17.708 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.400 17.043 -6.615 1.00 0.00 H new ATOM 352 N ALA A 23 -22.876 15.211 -7.223 1.00 0.00 N ATOM 353 CA ALA A 23 -24.223 15.531 -7.679 1.00 0.00 C ATOM 354 C ALA A 23 -25.199 15.587 -6.509 1.00 0.00 C ATOM 355 O ALA A 23 -26.255 16.213 -6.599 1.00 0.00 O ATOM 356 CB ALA A 23 -24.687 14.512 -8.709 1.00 0.00 C ATOM 0 H ALA A 23 -22.612 14.233 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.199 16.516 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.694 14.763 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.010 14.524 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.690 13.518 -8.262 1.00 0.00 H new ATOM 362 N ASN A 24 -24.840 14.928 -5.412 1.00 0.00 N ATOM 363 CA ASN A 24 -25.686 14.902 -4.225 1.00 0.00 C ATOM 364 C ASN A 24 -25.450 16.138 -3.362 1.00 0.00 C ATOM 365 O ASN A 24 -26.330 16.563 -2.612 1.00 0.00 O ATOM 366 CB ASN A 24 -25.415 13.637 -3.408 1.00 0.00 C ATOM 367 CG ASN A 24 -26.231 12.453 -3.889 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.358 12.611 -4.359 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.663 11.258 -3.774 1.00 0.00 N ATOM 0 H ASN A 24 -23.969 14.405 -5.321 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.726 14.901 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.355 13.391 -3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.642 13.829 -2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.163 10.424 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.727 11.174 -3.378 1.00 0.00 H new ATOM 376 N LYS A 25 -24.258 16.713 -3.474 1.00 0.00 N ATOM 377 CA LYS A 25 -23.905 17.902 -2.707 1.00 0.00 C ATOM 378 C LYS A 25 -24.265 19.170 -3.473 1.00 0.00 C ATOM 379 O LYS A 25 -24.395 20.245 -2.886 1.00 0.00 O ATOM 380 CB LYS A 25 -22.410 17.898 -2.379 1.00 0.00 C ATOM 381 CG LYS A 25 -22.110 18.103 -0.905 1.00 0.00 C ATOM 382 CD LYS A 25 -22.670 16.972 -0.059 1.00 0.00 C ATOM 383 CE LYS A 25 -21.785 16.684 1.144 1.00 0.00 C ATOM 384 NZ LYS A 25 -22.463 15.801 2.133 1.00 0.00 N ATOM 0 H LYS A 25 -23.519 16.374 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.474 17.886 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.979 16.950 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.918 18.683 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.032 18.169 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.535 19.051 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.673 17.232 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.762 16.072 -0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.861 16.213 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.509 17.623 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.827 15.629 2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.332 16.261 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.704 14.895 1.682 1.00 0.00 H new ATOM 398 N ILE A 26 -24.426 19.038 -4.785 1.00 0.00 N ATOM 399 CA ILE A 26 -24.774 20.174 -5.630 1.00 0.00 C ATOM 400 C ILE A 26 -26.284 20.374 -5.688 1.00 0.00 C ATOM 401 O ILE A 26 -26.765 21.486 -5.908 1.00 0.00 O ATOM 402 CB ILE A 26 -24.235 19.996 -7.062 1.00 0.00 C ATOM 403 CG1 ILE A 26 -24.138 21.351 -7.766 1.00 0.00 C ATOM 404 CG2 ILE A 26 -25.127 19.047 -7.849 1.00 0.00 C ATOM 405 CD1 ILE A 26 -23.110 22.277 -7.154 1.00 0.00 C ATOM 0 H ILE A 26 -24.321 18.156 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.311 21.054 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.236 19.564 -7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.891 21.189 -8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.114 21.836 -7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.733 18.931 -8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -25.150 18.076 -7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -26.137 19.454 -7.898 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -23.096 23.218 -7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.367 22.469 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -22.125 21.812 -7.205 1.00 0.00 H new ATOM 417 N ILE A 27 -27.027 19.290 -5.488 1.00 0.00 N ATOM 418 CA ILE A 27 -28.483 19.347 -5.515 1.00 0.00 C ATOM 419 C ILE A 27 -29.036 19.902 -4.206 1.00 0.00 C ATOM 420 O ILE A 27 -30.085 20.546 -4.187 1.00 0.00 O ATOM 421 CB ILE A 27 -29.096 17.958 -5.770 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.572 16.949 -4.746 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.787 17.494 -7.185 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.646 16.399 -3.834 1.00 0.00 C ATOM 0 H ILE A 27 -26.644 18.362 -5.306 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.758 20.012 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.178 18.029 -5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -28.097 16.122 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.801 17.426 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -29.227 16.511 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -29.205 18.203 -7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.707 17.436 -7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -29.202 15.690 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -30.106 17.217 -3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.405 15.893 -4.430 1.00 0.00 H new ATOM 436 N SER A 28 -28.321 19.649 -3.114 1.00 0.00 N ATOM 437 CA SER A 28 -28.741 20.122 -1.800 1.00 0.00 C ATOM 438 C SER A 28 -28.283 21.558 -1.568 1.00 0.00 C ATOM 439 O SER A 28 -29.084 22.429 -1.229 1.00 0.00 O ATOM 440 CB SER A 28 -28.180 19.212 -0.705 1.00 0.00 C ATOM 441 OG SER A 28 -28.455 19.736 0.583 1.00 0.00 O ATOM 0 H SER A 28 -27.449 19.120 -3.113 1.00 0.00 H new ATOM 0 HA SER A 28 -29.830 20.096 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 28 -28.615 18.217 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.103 19.103 -0.835 1.00 0.00 H new ATOM 0 HG SER A 28 -28.088 19.136 1.265 1.00 0.00 H new ATOM 447 N GLU A 29 -26.989 21.798 -1.753 1.00 0.00 N ATOM 448 CA GLU A 29 -26.423 23.128 -1.563 1.00 0.00 C ATOM 449 C GLU A 29 -27.105 24.144 -2.475 1.00 0.00 C ATOM 450 O GLU A 29 -27.094 25.344 -2.203 1.00 0.00 O ATOM 451 CB GLU A 29 -24.918 23.111 -1.836 1.00 0.00 C ATOM 452 CG GLU A 29 -24.142 24.143 -1.033 1.00 0.00 C ATOM 453 CD GLU A 29 -24.259 23.926 0.463 1.00 0.00 C ATOM 454 OE1 GLU A 29 -23.567 23.028 0.987 1.00 0.00 O ATOM 455 OE2 GLU A 29 -25.041 24.653 1.109 1.00 0.00 O ATOM 0 H GLU A 29 -26.313 21.088 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.593 23.422 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.527 22.119 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.748 23.287 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.091 24.107 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -24.506 25.140 -1.281 1.00 0.00 H new ATOM 462 N ALA A 30 -27.697 23.654 -3.560 1.00 0.00 N ATOM 463 CA ALA A 30 -28.384 24.518 -4.511 1.00 0.00 C ATOM 464 C ALA A 30 -29.813 24.801 -4.062 1.00 0.00 C ATOM 465 O ALA A 30 -30.151 25.933 -3.716 1.00 0.00 O ATOM 466 CB ALA A 30 -28.380 23.886 -5.896 1.00 0.00 C ATOM 0 H ALA A 30 -27.714 22.663 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.849 25.467 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.897 24.542 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.352 23.740 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.889 22.923 -5.858 1.00 0.00 H new ATOM 472 N GLU A 31 -30.648 23.767 -4.071 1.00 0.00 N ATOM 473 CA GLU A 31 -32.042 23.907 -3.665 1.00 0.00 C ATOM 474 C GLU A 31 -32.147 24.599 -2.309 1.00 0.00 C ATOM 475 O GLU A 31 -33.119 25.300 -2.031 1.00 0.00 O ATOM 476 CB GLU A 31 -32.719 22.537 -3.605 1.00 0.00 C ATOM 477 CG GLU A 31 -32.314 21.710 -2.396 1.00 0.00 C ATOM 478 CD GLU A 31 -32.832 20.287 -2.462 1.00 0.00 C ATOM 479 OE1 GLU A 31 -32.968 19.756 -3.584 1.00 0.00 O ATOM 480 OE2 GLU A 31 -33.102 19.704 -1.391 1.00 0.00 O ATOM 0 H GLU A 31 -30.384 22.824 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.550 24.522 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.800 22.676 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.478 21.982 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.227 21.694 -2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.690 22.188 -1.491 1.00 0.00 H new ATOM 487 N ALA A 32 -31.138 24.395 -1.468 1.00 0.00 N ATOM 488 CA ALA A 32 -31.115 24.999 -0.142 1.00 0.00 C ATOM 489 C ALA A 32 -30.920 26.509 -0.229 1.00 0.00 C ATOM 490 O ALA A 32 -31.842 27.279 0.039 1.00 0.00 O ATOM 491 CB ALA A 32 -30.018 24.372 0.705 1.00 0.00 C ATOM 0 H ALA A 32 -30.326 23.816 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 32 -32.078 24.810 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -30.013 24.833 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -30.202 23.302 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -29.052 24.531 0.225 1.00 0.00 H new ATOM 497 N GLU A 33 -29.715 26.925 -0.607 1.00 0.00 N ATOM 498 CA GLU A 33 -29.401 28.343 -0.728 1.00 0.00 C ATOM 499 C GLU A 33 -30.413 29.050 -1.625 1.00 0.00 C ATOM 500 O GLU A 33 -30.735 30.220 -1.416 1.00 0.00 O ATOM 501 CB GLU A 33 -27.989 28.529 -1.288 1.00 0.00 C ATOM 502 CG GLU A 33 -26.966 28.930 -0.238 1.00 0.00 C ATOM 503 CD GLU A 33 -25.671 29.432 -0.848 1.00 0.00 C ATOM 504 OE1 GLU A 33 -25.097 28.718 -1.696 1.00 0.00 O ATOM 505 OE2 GLU A 33 -25.232 30.541 -0.476 1.00 0.00 O ATOM 0 H GLU A 33 -28.941 26.300 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.451 28.786 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.669 27.600 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -28.014 29.290 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.389 29.707 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.754 28.074 0.403 1.00 0.00 H new ATOM 512 N LYS A 34 -30.911 28.332 -2.625 1.00 0.00 N ATOM 513 CA LYS A 34 -31.887 28.887 -3.555 1.00 0.00 C ATOM 514 C LYS A 34 -33.175 29.265 -2.831 1.00 0.00 C ATOM 515 O LYS A 34 -33.521 30.442 -2.733 1.00 0.00 O ATOM 516 CB LYS A 34 -32.192 27.882 -4.668 1.00 0.00 C ATOM 517 CG LYS A 34 -33.389 28.264 -5.522 1.00 0.00 C ATOM 518 CD LYS A 34 -33.710 27.187 -6.545 1.00 0.00 C ATOM 519 CE LYS A 34 -35.186 27.192 -6.913 1.00 0.00 C ATOM 520 NZ LYS A 34 -35.406 26.772 -8.325 1.00 0.00 N ATOM 0 H LYS A 34 -30.654 27.363 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.460 29.788 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.315 27.785 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.371 26.903 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.256 28.429 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.187 29.205 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -33.110 27.344 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -33.437 26.211 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -35.729 26.523 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -35.594 28.191 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -36.424 26.788 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -34.909 27.426 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -35.039 25.808 -8.462 1.00 0.00 H new ATOM 534 N ALA A 35 -33.880 28.260 -2.323 1.00 0.00 N ATOM 535 CA ALA A 35 -35.128 28.488 -1.604 1.00 0.00 C ATOM 536 C ALA A 35 -34.910 29.402 -0.403 1.00 0.00 C ATOM 537 O ALA A 35 -35.857 29.980 0.130 1.00 0.00 O ATOM 538 CB ALA A 35 -35.730 27.163 -1.160 1.00 0.00 C ATOM 0 H ALA A 35 -33.608 27.280 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.825 28.982 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.661 27.348 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.931 26.544 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -35.030 26.647 -0.503 1.00 0.00 H new ATOM 544 N LYS A 36 -33.657 29.528 0.019 1.00 0.00 N ATOM 545 CA LYS A 36 -33.313 30.372 1.157 1.00 0.00 C ATOM 546 C LYS A 36 -33.202 31.834 0.736 1.00 0.00 C ATOM 547 O LYS A 36 -33.801 32.714 1.354 1.00 0.00 O ATOM 548 CB LYS A 36 -31.996 29.908 1.783 1.00 0.00 C ATOM 549 CG LYS A 36 -31.765 30.449 3.184 1.00 0.00 C ATOM 550 CD LYS A 36 -31.002 29.457 4.046 1.00 0.00 C ATOM 551 CE LYS A 36 -29.538 29.379 3.643 1.00 0.00 C ATOM 552 NZ LYS A 36 -29.155 28.007 3.206 1.00 0.00 N ATOM 0 H LYS A 36 -32.862 29.056 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 36 -34.109 30.285 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.983 28.819 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.170 30.217 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -31.210 31.385 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.724 30.675 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -31.077 29.750 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -31.458 28.471 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.346 30.084 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.913 29.680 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -28.150 27.995 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -29.314 27.337 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -29.733 27.729 2.387 1.00 0.00 H new ATOM 566 N ILE A 37 -32.432 32.084 -0.317 1.00 0.00 N ATOM 567 CA ILE A 37 -32.245 33.439 -0.821 1.00 0.00 C ATOM 568 C ILE A 37 -33.480 33.922 -1.573 1.00 0.00 C ATOM 569 O ILE A 37 -33.769 35.118 -1.611 1.00 0.00 O ATOM 570 CB ILE A 37 -31.022 33.529 -1.754 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.306 32.806 -3.073 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.794 32.941 -1.076 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.129 32.800 -4.024 1.00 0.00 C ATOM 0 H ILE A 37 -31.928 31.367 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 37 -32.078 34.078 0.047 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.825 34.579 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -31.595 31.777 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.156 33.281 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.939 33.012 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.584 33.494 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.979 31.895 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.402 32.271 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.853 33.826 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.283 32.299 -3.553 1.00 0.00 H new ATOM 585 N LEU A 38 -34.208 32.983 -2.168 1.00 0.00 N ATOM 586 CA LEU A 38 -35.415 33.312 -2.918 1.00 0.00 C ATOM 587 C LEU A 38 -36.482 33.902 -2.002 1.00 0.00 C ATOM 588 O LEU A 38 -37.187 34.838 -2.377 1.00 0.00 O ATOM 589 CB LEU A 38 -35.960 32.065 -3.617 1.00 0.00 C ATOM 590 CG LEU A 38 -35.570 31.894 -5.086 1.00 0.00 C ATOM 591 CD1 LEU A 38 -36.047 33.082 -5.907 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.064 31.720 -5.220 1.00 0.00 C ATOM 0 H LEU A 38 -33.983 31.988 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.154 34.058 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.620 31.187 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -37.048 32.082 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 38 -36.055 30.996 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.760 32.943 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.132 33.161 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.591 33.995 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.804 31.600 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.559 32.599 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.749 30.836 -4.665 1.00 0.00 H new ATOM 604 N GLU A 39 -36.592 33.350 -0.797 1.00 0.00 N ATOM 605 CA GLU A 39 -37.571 33.824 0.173 1.00 0.00 C ATOM 606 C GLU A 39 -36.982 34.927 1.047 1.00 0.00 C ATOM 607 O GLU A 39 -37.692 35.828 1.493 1.00 0.00 O ATOM 608 CB GLU A 39 -38.055 32.667 1.050 1.00 0.00 C ATOM 609 CG GLU A 39 -39.492 32.256 0.777 1.00 0.00 C ATOM 610 CD GLU A 39 -40.299 32.076 2.049 1.00 0.00 C ATOM 611 OE1 GLU A 39 -39.760 31.495 3.015 1.00 0.00 O ATOM 612 OE2 GLU A 39 -41.467 32.516 2.079 1.00 0.00 O ATOM 0 H GLU A 39 -36.015 32.575 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.419 34.234 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -37.404 31.807 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.960 32.952 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -39.969 33.011 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -39.498 31.324 0.212 1.00 0.00 H new ATOM 619 N LYS A 40 -35.678 34.848 1.289 1.00 0.00 N ATOM 620 CA LYS A 40 -34.990 35.838 2.109 1.00 0.00 C ATOM 621 C LYS A 40 -34.850 37.161 1.362 1.00 0.00 C ATOM 622 O LYS A 40 -35.117 38.227 1.915 1.00 0.00 O ATOM 623 CB LYS A 40 -33.608 35.322 2.518 1.00 0.00 C ATOM 624 CG LYS A 40 -32.840 36.281 3.410 1.00 0.00 C ATOM 625 CD LYS A 40 -32.130 35.547 4.536 1.00 0.00 C ATOM 626 CE LYS A 40 -30.900 36.308 5.008 1.00 0.00 C ATOM 627 NZ LYS A 40 -30.072 35.497 5.943 1.00 0.00 N ATOM 0 H LYS A 40 -35.076 34.108 0.929 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.587 36.008 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.724 34.370 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -33.022 35.126 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.110 36.828 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.525 37.017 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -32.816 35.408 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -31.837 34.554 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -30.298 36.596 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -31.210 37.229 5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -29.244 36.050 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -30.638 35.243 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -29.755 34.630 5.463 1.00 0.00 H new ATOM 641 N ALA A 41 -34.431 37.082 0.104 1.00 0.00 N ATOM 642 CA ALA A 41 -34.259 38.273 -0.720 1.00 0.00 C ATOM 643 C ALA A 41 -35.605 38.906 -1.057 1.00 0.00 C ATOM 644 O ALA A 41 -35.829 40.088 -0.799 1.00 0.00 O ATOM 645 CB ALA A 41 -33.501 37.929 -1.993 1.00 0.00 C ATOM 0 H ALA A 41 -34.204 36.206 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.679 38.999 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.380 38.827 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.520 37.530 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.059 37.183 -2.559 1.00 0.00 H new ATOM 651 N LYS A 42 -36.498 38.111 -1.637 1.00 0.00 N ATOM 652 CA LYS A 42 -37.823 38.592 -2.010 1.00 0.00 C ATOM 653 C LYS A 42 -38.528 39.225 -0.816 1.00 0.00 C ATOM 654 O LYS A 42 -39.364 40.114 -0.977 1.00 0.00 O ATOM 655 CB LYS A 42 -38.668 37.443 -2.565 1.00 0.00 C ATOM 656 CG LYS A 42 -38.260 37.007 -3.962 1.00 0.00 C ATOM 657 CD LYS A 42 -39.145 35.884 -4.476 1.00 0.00 C ATOM 658 CE LYS A 42 -39.473 36.064 -5.950 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.563 37.058 -6.158 1.00 0.00 N ATOM 0 H LYS A 42 -36.328 37.130 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.702 39.352 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.593 36.590 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -39.715 37.747 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -38.318 37.857 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -37.221 36.677 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -38.644 34.927 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -40.068 35.853 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -38.580 36.388 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -39.769 35.105 -6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -40.757 37.152 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -41.423 36.737 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -40.270 37.979 -5.774 1.00 0.00 H new ATOM 673 N GLU A 43 -38.185 38.763 0.382 1.00 0.00 N ATOM 674 CA GLU A 43 -38.786 39.286 1.604 1.00 0.00 C ATOM 675 C GLU A 43 -38.036 40.521 2.094 1.00 0.00 C ATOM 676 O GLU A 43 -38.594 41.616 2.151 1.00 0.00 O ATOM 677 CB GLU A 43 -38.792 38.213 2.695 1.00 0.00 C ATOM 678 CG GLU A 43 -39.278 38.719 4.043 1.00 0.00 C ATOM 679 CD GLU A 43 -39.667 37.594 4.982 1.00 0.00 C ATOM 680 OE1 GLU A 43 -38.868 36.647 5.136 1.00 0.00 O ATOM 681 OE2 GLU A 43 -40.771 37.661 5.563 1.00 0.00 O ATOM 0 H GLU A 43 -37.494 38.028 0.533 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.814 39.572 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.427 37.386 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.783 37.815 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.494 39.319 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.135 39.375 3.893 1.00 0.00 H new ATOM 688 N GLU A 44 -36.767 40.335 2.446 1.00 0.00 N ATOM 689 CA GLU A 44 -35.941 41.434 2.933 1.00 0.00 C ATOM 690 C GLU A 44 -36.006 42.625 1.981 1.00 0.00 C ATOM 691 O GLU A 44 -35.975 43.778 2.411 1.00 0.00 O ATOM 692 CB GLU A 44 -34.491 40.977 3.097 1.00 0.00 C ATOM 693 CG GLU A 44 -33.761 40.779 1.779 1.00 0.00 C ATOM 694 CD GLU A 44 -32.566 39.855 1.906 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.460 39.160 2.938 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.737 39.826 0.972 1.00 0.00 O ATOM 0 H GLU A 44 -36.289 39.435 2.403 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.328 41.744 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -33.952 41.713 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.475 40.041 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.453 40.372 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.429 41.747 1.403 1.00 0.00 H new ATOM 703 N ALA A 45 -36.095 42.337 0.687 1.00 0.00 N ATOM 704 CA ALA A 45 -36.165 43.384 -0.325 1.00 0.00 C ATOM 705 C ALA A 45 -37.540 44.042 -0.341 1.00 0.00 C ATOM 706 O ALA A 45 -37.653 45.262 -0.452 1.00 0.00 O ATOM 707 CB ALA A 45 -35.835 42.814 -1.697 1.00 0.00 C ATOM 0 H ALA A 45 -36.120 41.388 0.315 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.429 44.148 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -35.891 43.606 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -34.828 42.397 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.549 42.030 -1.947 1.00 0.00 H new ATOM 713 N GLU A 46 -38.583 43.225 -0.229 1.00 0.00 N ATOM 714 CA GLU A 46 -39.951 43.729 -0.232 1.00 0.00 C ATOM 715 C GLU A 46 -40.233 44.546 1.026 1.00 0.00 C ATOM 716 O GLU A 46 -41.025 45.488 1.005 1.00 0.00 O ATOM 717 CB GLU A 46 -40.945 42.570 -0.334 1.00 0.00 C ATOM 718 CG GLU A 46 -41.260 42.162 -1.763 1.00 0.00 C ATOM 719 CD GLU A 46 -42.247 43.097 -2.433 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.321 43.345 -1.846 1.00 0.00 O ATOM 721 OE2 GLU A 46 -41.946 43.581 -3.545 1.00 0.00 O ATOM 0 H GLU A 46 -38.506 42.212 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.070 44.378 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.543 41.709 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.871 42.852 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.337 42.139 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -41.664 41.150 -1.767 1.00 0.00 H new ATOM 728 N LYS A 47 -39.578 44.178 2.122 1.00 0.00 N ATOM 729 CA LYS A 47 -39.755 44.875 3.390 1.00 0.00 C ATOM 730 C LYS A 47 -38.860 46.108 3.463 1.00 0.00 C ATOM 731 O LYS A 47 -39.330 47.213 3.733 1.00 0.00 O ATOM 732 CB LYS A 47 -39.446 43.937 4.559 1.00 0.00 C ATOM 733 CG LYS A 47 -39.223 44.660 5.876 1.00 0.00 C ATOM 734 CD LYS A 47 -37.750 44.950 6.110 1.00 0.00 C ATOM 735 CE LYS A 47 -37.234 44.249 7.357 1.00 0.00 C ATOM 736 NZ LYS A 47 -36.733 42.879 7.056 1.00 0.00 N ATOM 0 H LYS A 47 -38.919 43.400 2.157 1.00 0.00 H new ATOM 0 HA LYS A 47 -40.794 45.198 3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.269 43.232 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -38.558 43.353 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -39.784 45.595 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -39.610 44.054 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -37.173 44.626 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -37.601 46.025 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -36.432 44.840 7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -38.032 44.189 8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -36.390 42.435 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -37.504 42.307 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -35.954 42.937 6.369 1.00 0.00 H new ATOM 750 N ARG A 48 -37.568 45.910 3.221 1.00 0.00 N ATOM 751 CA ARG A 48 -36.607 47.006 3.259 1.00 0.00 C ATOM 752 C ARG A 48 -36.878 48.006 2.138 1.00 0.00 C ATOM 753 O ARG A 48 -37.098 49.191 2.387 1.00 0.00 O ATOM 754 CB ARG A 48 -35.181 46.466 3.142 1.00 0.00 C ATOM 755 CG ARG A 48 -34.115 47.550 3.173 1.00 0.00 C ATOM 756 CD ARG A 48 -32.726 46.971 2.952 1.00 0.00 C ATOM 757 NE ARG A 48 -31.708 47.683 3.721 1.00 0.00 N ATOM 758 CZ ARG A 48 -30.412 47.400 3.662 1.00 0.00 C ATOM 759 NH1 ARG A 48 -29.977 46.426 2.874 1.00 0.00 N ATOM 760 NH2 ARG A 48 -29.547 48.092 4.392 1.00 0.00 N ATOM 0 H ARG A 48 -37.163 45.001 2.997 1.00 0.00 H new ATOM 0 HA ARG A 48 -36.716 47.519 4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -34.999 45.765 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -35.089 45.904 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -34.327 48.293 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -34.147 48.066 4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -32.723 45.918 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -32.478 47.018 1.892 1.00 0.00 H new ATOM 0 HE ARG A 48 -32.009 48.438 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -30.639 45.892 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -28.981 46.211 2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -29.877 48.842 4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -28.552 47.874 4.346 1.00 0.00 H new ATOM 774 N LYS A 49 -36.859 47.519 0.901 1.00 0.00 N ATOM 775 CA LYS A 49 -37.102 48.368 -0.259 1.00 0.00 C ATOM 776 C LYS A 49 -38.574 48.338 -0.656 1.00 0.00 C ATOM 777 O LYS A 49 -39.364 47.582 -0.091 1.00 0.00 O ATOM 778 CB LYS A 49 -36.236 47.916 -1.437 1.00 0.00 C ATOM 779 CG LYS A 49 -34.863 48.566 -1.468 1.00 0.00 C ATOM 780 CD LYS A 49 -34.024 48.041 -2.621 1.00 0.00 C ATOM 781 CE LYS A 49 -34.132 48.940 -3.843 1.00 0.00 C ATOM 782 NZ LYS A 49 -34.114 48.157 -5.110 1.00 0.00 N ATOM 0 H LYS A 49 -36.678 46.541 0.677 1.00 0.00 H new ATOM 0 HA LYS A 49 -36.837 49.391 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -36.115 46.834 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -36.757 48.142 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -34.973 49.647 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -34.348 48.376 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -32.981 47.970 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -34.349 47.033 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -35.053 49.520 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -33.307 49.652 -3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -34.190 48.805 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -33.224 47.623 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -34.916 47.495 -5.120 1.00 0.00 H new ATOM 796 N ALA A 50 -38.936 49.164 -1.632 1.00 0.00 N ATOM 797 CA ALA A 50 -40.313 49.230 -2.106 1.00 0.00 C ATOM 798 C ALA A 50 -40.672 47.993 -2.923 1.00 0.00 C ATOM 799 O ALA A 50 -39.800 47.206 -3.288 1.00 0.00 O ATOM 800 CB ALA A 50 -40.528 50.490 -2.930 1.00 0.00 C ATOM 0 H ALA A 50 -38.295 49.797 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 50 -40.969 49.262 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -41.561 50.526 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -40.321 51.366 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -39.857 50.482 -3.789 1.00 0.00 H new ATOM 806 N GLU A 51 -41.960 47.830 -3.206 1.00 0.00 N ATOM 807 CA GLU A 51 -42.433 46.687 -3.979 1.00 0.00 C ATOM 808 C GLU A 51 -42.759 47.098 -5.412 1.00 0.00 C ATOM 809 O GLU A 51 -43.901 46.980 -5.858 1.00 0.00 O ATOM 810 CB GLU A 51 -43.669 46.072 -3.319 1.00 0.00 C ATOM 811 CG GLU A 51 -44.795 47.066 -3.092 1.00 0.00 C ATOM 812 CD GLU A 51 -46.160 46.406 -3.069 1.00 0.00 C ATOM 813 OE1 GLU A 51 -46.468 45.714 -2.077 1.00 0.00 O ATOM 814 OE2 GLU A 51 -46.920 46.582 -4.045 1.00 0.00 O ATOM 0 H GLU A 51 -42.694 48.474 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 51 -41.637 45.943 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -44.036 45.256 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -43.381 45.637 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -44.631 47.586 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -44.773 47.820 -3.879 1.00 0.00 H new ATOM 821 N ILE A 52 -41.749 47.580 -6.128 1.00 0.00 N ATOM 822 CA ILE A 52 -41.928 48.008 -7.510 1.00 0.00 C ATOM 823 C ILE A 52 -42.971 49.115 -7.612 1.00 0.00 C ATOM 824 O ILE A 52 -44.149 48.853 -7.854 1.00 0.00 O ATOM 825 CB ILE A 52 -42.352 46.834 -8.412 1.00 0.00 C ATOM 826 CG1 ILE A 52 -41.434 45.631 -8.186 1.00 0.00 C ATOM 827 CG2 ILE A 52 -42.333 47.255 -9.874 1.00 0.00 C ATOM 828 CD1 ILE A 52 -39.975 45.925 -8.458 1.00 0.00 C ATOM 0 H ILE A 52 -40.798 47.684 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 52 -40.965 48.388 -7.850 1.00 0.00 H new ATOM 0 HB ILE A 52 -43.370 46.544 -8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -41.542 45.290 -7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -41.757 44.812 -8.828 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -42.635 46.414 -10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -43.024 48.084 -10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -41.326 47.568 -10.149 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -39.383 45.028 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -39.854 46.237 -9.495 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -39.635 46.723 -7.797 1.00 0.00 H new TER 840 ILE A 52