USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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+ 160:sc= 1.08 (180deg=0.0211) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.45 X(o=-2.4,f=-2) USER MOD Single : A 7 TYR OH : rot -179:sc= -1.08! USER MOD Single : A 9 THR OG1 : rot 49:sc= 0.42 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.41) USER MOD Single : A 14 CYS SG : rot -21:sc= -1.53 USER MOD Single : A 15 GLN : amide:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 16 MET CE :methyl 179:sc= 0 (180deg=-0.00386) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -15! C(o=-15!,f=-28!) USER MOD Single : A 26 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0407) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc=-0.00175 (180deg=-0.138) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.390 -10.142 -8.754 1.00 0.00 N ATOM 2 CA MET A 1 4.900 -8.746 -8.720 1.00 0.00 C ATOM 3 C MET A 1 3.757 -7.742 -8.619 1.00 0.00 C ATOM 4 O MET A 1 3.419 -7.078 -9.600 1.00 0.00 O ATOM 5 CB MET A 1 5.714 -8.497 -9.992 1.00 0.00 C ATOM 6 CG MET A 1 7.195 -8.797 -9.834 1.00 0.00 C ATOM 7 SD MET A 1 7.940 -9.434 -11.346 1.00 0.00 S ATOM 8 CE MET A 1 9.642 -9.637 -10.826 1.00 0.00 C ATOM 0 H1 MET A 1 5.118 -10.768 -9.154 1.00 0.00 H new ATOM 0 H2 MET A 1 4.160 -10.451 -7.788 1.00 0.00 H new ATOM 0 H3 MET A 1 3.535 -10.185 -9.344 1.00 0.00 H new ATOM 0 HA MET A 1 5.528 -8.614 -7.839 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.311 -9.111 -10.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.593 -7.457 -10.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.716 -7.888 -9.532 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.331 -9.523 -9.033 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.232 -10.026 -11.656 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.045 -8.673 -10.514 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.686 -10.336 -9.991 1.00 0.00 H new ATOM 20 N MET A 2 3.161 -7.626 -7.431 1.00 0.00 N ATOM 21 CA MET A 2 2.062 -6.688 -7.239 1.00 0.00 C ATOM 22 C MET A 2 2.586 -5.258 -7.102 1.00 0.00 C ATOM 23 O MET A 2 3.268 -4.924 -6.136 1.00 0.00 O ATOM 24 CB MET A 2 1.237 -7.069 -6.007 1.00 0.00 C ATOM 25 CG MET A 2 0.221 -8.170 -6.271 1.00 0.00 C ATOM 26 SD MET A 2 -1.069 -7.661 -7.423 1.00 0.00 S ATOM 27 CE MET A 2 -2.437 -8.683 -6.881 1.00 0.00 C ATOM 0 H MET A 2 3.418 -8.162 -6.602 1.00 0.00 H new ATOM 0 HA MET A 2 1.419 -6.737 -8.118 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.912 -7.391 -5.214 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.715 -6.184 -5.642 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.734 -9.045 -6.670 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.237 -8.471 -5.329 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.310 -8.480 -7.501 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.164 -9.734 -6.972 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.670 -8.457 -5.840 1.00 0.00 H new ATOM 37 N LYS A 3 2.268 -4.415 -8.078 1.00 0.00 N ATOM 38 CA LYS A 3 2.713 -3.025 -8.056 1.00 0.00 C ATOM 39 C LYS A 3 1.994 -2.252 -6.960 1.00 0.00 C ATOM 40 O LYS A 3 0.847 -1.837 -7.123 1.00 0.00 O ATOM 41 CB LYS A 3 2.459 -2.365 -9.411 1.00 0.00 C ATOM 42 CG LYS A 3 3.603 -2.542 -10.397 1.00 0.00 C ATOM 43 CD LYS A 3 3.813 -1.292 -11.240 1.00 0.00 C ATOM 44 CE LYS A 3 3.563 -1.561 -12.714 1.00 0.00 C ATOM 45 NZ LYS A 3 2.150 -1.292 -13.097 1.00 0.00 N ATOM 0 H LYS A 3 1.706 -4.667 -8.891 1.00 0.00 H new ATOM 0 HA LYS A 3 3.783 -3.011 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.549 -2.781 -9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.282 -1.300 -9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.519 -2.774 -9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.395 -3.391 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.144 -0.504 -10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.831 -0.928 -11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.226 -0.938 -13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.809 -2.599 -12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.022 -1.488 -14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.518 -1.904 -12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.922 -0.296 -12.905 1.00 0.00 H new ATOM 59 N ILE A 4 2.683 -2.065 -5.844 1.00 0.00 N ATOM 60 CA ILE A 4 2.121 -1.344 -4.712 1.00 0.00 C ATOM 61 C ILE A 4 2.794 0.012 -4.542 1.00 0.00 C ATOM 62 O ILE A 4 4.019 0.116 -4.505 1.00 0.00 O ATOM 63 CB ILE A 4 2.254 -2.161 -3.410 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.442 -3.450 -3.518 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.805 -1.347 -2.206 1.00 0.00 C ATOM 66 CD1 ILE A 4 2.298 -4.689 -3.587 1.00 0.00 C ATOM 0 H ILE A 4 3.634 -2.403 -5.698 1.00 0.00 H new ATOM 0 HA ILE A 4 1.062 -1.188 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 4 3.305 -2.415 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.775 -3.525 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.813 -3.402 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.909 -1.947 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.422 -0.452 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.762 -1.058 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.659 -5.569 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.946 -4.635 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.908 -4.760 -2.687 1.00 0.00 H new ATOM 78 N GLN A 5 1.974 1.047 -4.448 1.00 0.00 N ATOM 79 CA GLN A 5 2.468 2.411 -4.287 1.00 0.00 C ATOM 80 C GLN A 5 2.143 2.946 -2.897 1.00 0.00 C ATOM 81 O GLN A 5 1.071 2.674 -2.355 1.00 0.00 O ATOM 82 CB GLN A 5 1.865 3.332 -5.354 1.00 0.00 C ATOM 83 CG GLN A 5 1.585 2.642 -6.684 1.00 0.00 C ATOM 84 CD GLN A 5 2.733 1.770 -7.151 1.00 0.00 C ATOM 85 OE1 GLN A 5 3.900 2.071 -6.899 1.00 0.00 O ATOM 86 NE2 GLN A 5 2.405 0.681 -7.837 1.00 0.00 N ATOM 0 H GLN A 5 0.957 0.970 -4.480 1.00 0.00 H new ATOM 0 HA GLN A 5 3.551 2.391 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.935 3.753 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.545 4.166 -5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.687 2.031 -6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.377 3.397 -7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.424 0.471 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.134 0.055 -8.178 1.00 0.00 H new ATOM 95 N ILE A 6 3.070 3.714 -2.329 1.00 0.00 N ATOM 96 CA ILE A 6 2.877 4.290 -1.005 1.00 0.00 C ATOM 97 C ILE A 6 2.984 5.804 -1.071 1.00 0.00 C ATOM 98 O ILE A 6 4.040 6.344 -1.398 1.00 0.00 O ATOM 99 CB ILE A 6 3.914 3.752 -0.002 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.044 2.234 -0.136 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.528 4.134 1.418 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.157 1.648 0.703 1.00 0.00 C ATOM 0 H ILE A 6 3.961 3.950 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 6 1.882 4.004 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 6 4.881 4.202 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.100 1.770 0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.218 1.983 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.272 3.746 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.483 5.220 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.552 3.711 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.191 0.568 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.109 2.085 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.974 1.868 1.755 1.00 0.00 H new ATOM 114 N TYR A 7 1.883 6.491 -0.786 1.00 0.00 N ATOM 115 CA TYR A 7 1.876 7.943 -0.848 1.00 0.00 C ATOM 116 C TYR A 7 1.870 8.576 0.536 1.00 0.00 C ATOM 117 O TYR A 7 0.886 8.497 1.271 1.00 0.00 O ATOM 118 CB TYR A 7 0.692 8.420 -1.692 1.00 0.00 C ATOM 119 CG TYR A 7 0.718 7.852 -3.102 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.435 8.464 -4.126 1.00 0.00 C ATOM 121 CD2 TYR A 7 0.047 6.676 -3.395 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.473 7.917 -5.395 1.00 0.00 C ATOM 123 CE2 TYR A 7 0.075 6.127 -4.660 1.00 0.00 C ATOM 124 CZ TYR A 7 0.792 6.749 -5.657 1.00 0.00 C ATOM 125 OH TYR A 7 0.827 6.202 -6.919 1.00 0.00 O ATOM 0 H TYR A 7 0.995 6.070 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 7 2.800 8.267 -1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.239 8.130 -1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.700 9.509 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.970 9.381 -3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.510 6.178 -2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.035 8.404 -6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.463 5.214 -4.867 1.00 0.00 H new ATOM 0 HH TYR A 7 0.282 5.387 -6.938 1.00 0.00 H new ATOM 135 N GLY A 8 2.995 9.208 0.876 1.00 0.00 N ATOM 136 CA GLY A 8 3.129 9.856 2.165 1.00 0.00 C ATOM 137 C GLY A 8 4.579 9.987 2.594 1.00 0.00 C ATOM 138 O GLY A 8 5.174 11.058 2.474 1.00 0.00 O ATOM 0 H GLY A 8 3.816 9.280 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.674 10.846 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.580 9.286 2.915 1.00 0.00 H new ATOM 142 N THR A 9 5.149 8.893 3.091 1.00 0.00 N ATOM 143 CA THR A 9 6.541 8.882 3.536 1.00 0.00 C ATOM 144 C THR A 9 6.844 10.058 4.463 1.00 0.00 C ATOM 145 O THR A 9 7.955 10.588 4.466 1.00 0.00 O ATOM 146 CB THR A 9 7.511 8.923 2.341 1.00 0.00 C ATOM 147 OG1 THR A 9 7.005 9.802 1.328 1.00 0.00 O ATOM 148 CG2 THR A 9 7.711 7.532 1.758 1.00 0.00 C ATOM 0 H THR A 9 4.668 8.000 3.196 1.00 0.00 H new ATOM 0 HA THR A 9 6.685 7.951 4.085 1.00 0.00 H new ATOM 0 HB THR A 9 8.473 9.293 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.746 10.655 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.400 7.586 0.915 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.124 6.873 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.753 7.139 1.419 1.00 0.00 H new ATOM 156 N GLY A 10 5.850 10.456 5.248 1.00 0.00 N ATOM 157 CA GLY A 10 6.030 11.563 6.170 1.00 0.00 C ATOM 158 C GLY A 10 4.879 11.694 7.146 1.00 0.00 C ATOM 159 O GLY A 10 5.023 11.392 8.332 1.00 0.00 O ATOM 0 H GLY A 10 4.922 10.032 5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.958 11.424 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.131 12.490 5.605 1.00 0.00 H new ATOM 163 N CYS A 11 3.731 12.140 6.646 1.00 0.00 N ATOM 164 CA CYS A 11 2.547 12.307 7.478 1.00 0.00 C ATOM 165 C CYS A 11 1.517 11.224 7.175 1.00 0.00 C ATOM 166 O CYS A 11 0.316 11.432 7.341 1.00 0.00 O ATOM 167 CB CYS A 11 1.932 13.691 7.259 1.00 0.00 C ATOM 168 SG CYS A 11 1.311 14.468 8.767 1.00 0.00 S ATOM 0 H CYS A 11 3.597 12.392 5.667 1.00 0.00 H new ATOM 0 HA CYS A 11 2.849 12.216 8.521 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.681 14.343 6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.114 13.604 6.544 1.00 0.00 H new ATOM 0 HG CYS A 11 0.812 15.634 8.481 1.00 0.00 H new ATOM 174 N ALA A 12 1.996 10.067 6.727 1.00 0.00 N ATOM 175 CA ALA A 12 1.119 8.952 6.398 1.00 0.00 C ATOM 176 C ALA A 12 1.515 7.697 7.168 1.00 0.00 C ATOM 177 O ALA A 12 2.682 7.305 7.178 1.00 0.00 O ATOM 178 CB ALA A 12 1.145 8.684 4.899 1.00 0.00 C ATOM 0 H ALA A 12 2.988 9.879 6.584 1.00 0.00 H new ATOM 0 HA ALA A 12 0.104 9.221 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.485 7.848 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.807 9.572 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.162 8.440 4.591 1.00 0.00 H new ATOM 184 N ASN A 13 0.535 7.066 7.810 1.00 0.00 N ATOM 185 CA ASN A 13 0.776 5.848 8.582 1.00 0.00 C ATOM 186 C ASN A 13 0.948 4.627 7.676 1.00 0.00 C ATOM 187 O ASN A 13 0.784 3.491 8.120 1.00 0.00 O ATOM 188 CB ASN A 13 -0.374 5.607 9.562 1.00 0.00 C ATOM 189 CG ASN A 13 -0.764 6.860 10.319 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.072 7.720 10.594 1.00 0.00 O ATOM 191 ND2 ASN A 13 -2.043 6.971 10.661 1.00 0.00 N ATOM 0 H ASN A 13 -0.436 7.378 7.811 1.00 0.00 H new ATOM 0 HA ASN A 13 1.704 5.989 9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.240 5.232 9.016 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.085 4.832 10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.365 7.793 11.172 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.703 6.234 10.413 1.00 0.00 H new ATOM 198 N CYS A 14 1.277 4.862 6.407 1.00 0.00 N ATOM 199 CA CYS A 14 1.468 3.774 5.444 1.00 0.00 C ATOM 200 C CYS A 14 2.505 2.767 5.934 1.00 0.00 C ATOM 201 O CYS A 14 2.551 1.631 5.464 1.00 0.00 O ATOM 202 CB CYS A 14 1.899 4.332 4.084 1.00 0.00 C ATOM 203 SG CYS A 14 3.156 5.631 4.178 1.00 0.00 S ATOM 0 H CYS A 14 1.417 5.795 6.020 1.00 0.00 H new ATOM 0 HA CYS A 14 0.513 3.260 5.340 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.283 3.514 3.474 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.022 4.727 3.572 1.00 0.00 H new ATOM 0 HG CYS A 14 3.141 6.164 5.364 1.00 0.00 H new ATOM 209 N GLN A 15 3.341 3.192 6.874 1.00 0.00 N ATOM 210 CA GLN A 15 4.387 2.344 7.431 1.00 0.00 C ATOM 211 C GLN A 15 3.840 0.983 7.874 1.00 0.00 C ATOM 212 O GLN A 15 4.475 -0.050 7.656 1.00 0.00 O ATOM 213 CB GLN A 15 5.044 3.085 8.601 1.00 0.00 C ATOM 214 CG GLN A 15 4.723 2.513 9.976 1.00 0.00 C ATOM 215 CD GLN A 15 5.265 3.366 11.104 1.00 0.00 C ATOM 216 OE1 GLN A 15 6.074 2.909 11.911 1.00 0.00 O ATOM 217 NE2 GLN A 15 4.819 4.615 11.166 1.00 0.00 N ATOM 0 H GLN A 15 3.313 4.131 7.270 1.00 0.00 H new ATOM 0 HA GLN A 15 5.130 2.140 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.125 3.073 8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.731 4.129 8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.642 2.420 10.083 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.139 1.508 10.053 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.148 4.952 10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.147 5.238 11.904 1.00 0.00 H new ATOM 226 N MET A 16 2.667 0.987 8.499 1.00 0.00 N ATOM 227 CA MET A 16 2.052 -0.249 8.973 1.00 0.00 C ATOM 228 C MET A 16 1.711 -1.178 7.810 1.00 0.00 C ATOM 229 O MET A 16 2.238 -2.286 7.714 1.00 0.00 O ATOM 230 CB MET A 16 0.789 0.064 9.779 1.00 0.00 C ATOM 231 CG MET A 16 1.009 0.053 11.283 1.00 0.00 C ATOM 232 SD MET A 16 -0.113 1.159 12.158 1.00 0.00 S ATOM 233 CE MET A 16 -1.687 0.366 11.839 1.00 0.00 C ATOM 0 H MET A 16 2.124 1.829 8.689 1.00 0.00 H new ATOM 0 HA MET A 16 2.771 -0.757 9.615 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.412 1.043 9.482 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.018 -0.664 9.528 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.878 -0.962 11.658 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.038 0.342 11.498 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.482 0.925 12.332 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.872 0.343 10.765 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.666 -0.653 12.225 1.00 0.00 H new ATOM 243 N LEU A 17 0.828 -0.718 6.932 1.00 0.00 N ATOM 244 CA LEU A 17 0.413 -1.504 5.775 1.00 0.00 C ATOM 245 C LEU A 17 1.610 -1.843 4.892 1.00 0.00 C ATOM 246 O LEU A 17 1.646 -2.893 4.254 1.00 0.00 O ATOM 247 CB LEU A 17 -0.636 -0.730 4.970 1.00 0.00 C ATOM 248 CG LEU A 17 -1.568 -1.579 4.103 1.00 0.00 C ATOM 249 CD1 LEU A 17 -0.778 -2.327 3.043 1.00 0.00 C ATOM 250 CD2 LEU A 17 -2.364 -2.548 4.963 1.00 0.00 C ATOM 0 H LEU A 17 0.384 0.198 6.999 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.024 -2.438 6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.244 -0.150 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.120 -0.018 4.326 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.269 -0.913 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.458 -2.925 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.257 -1.612 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.051 -2.981 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.021 -3.143 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.680 -3.208 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.963 -1.989 5.682 1.00 0.00 H new ATOM 262 N GLU A 18 2.587 -0.949 4.861 1.00 0.00 N ATOM 263 CA GLU A 18 3.791 -1.175 4.045 1.00 0.00 C ATOM 264 C GLU A 18 4.490 -2.468 4.463 1.00 0.00 C ATOM 265 O GLU A 18 4.984 -3.217 3.618 1.00 0.00 O ATOM 266 CB GLU A 18 4.791 -0.002 4.130 1.00 0.00 C ATOM 267 CG GLU A 18 6.020 -0.198 3.258 1.00 0.00 C ATOM 268 CD GLU A 18 7.251 -0.573 4.058 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.318 -1.723 4.538 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.149 0.284 4.202 1.00 0.00 O ATOM 0 H GLU A 18 2.580 -0.071 5.379 1.00 0.00 H new ATOM 0 HA GLU A 18 3.455 -1.254 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.287 0.918 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.105 0.125 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.818 -0.977 2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.217 0.720 2.704 1.00 0.00 H new ATOM 277 N LYS A 19 4.539 -2.718 5.768 1.00 0.00 N ATOM 278 CA LYS A 19 5.187 -3.914 6.298 1.00 0.00 C ATOM 279 C LYS A 19 4.361 -5.175 6.042 1.00 0.00 C ATOM 280 O LYS A 19 4.897 -6.195 5.605 1.00 0.00 O ATOM 281 CB LYS A 19 5.442 -3.755 7.798 1.00 0.00 C ATOM 282 CG LYS A 19 6.567 -4.635 8.318 1.00 0.00 C ATOM 283 CD LYS A 19 6.474 -4.827 9.824 1.00 0.00 C ATOM 284 CE LYS A 19 6.975 -3.604 10.573 1.00 0.00 C ATOM 285 NZ LYS A 19 6.700 -3.696 12.034 1.00 0.00 N ATOM 0 H LYS A 19 4.137 -2.107 6.479 1.00 0.00 H new ATOM 0 HA LYS A 19 6.137 -4.028 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.679 -2.712 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.527 -3.990 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.529 -5.606 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.528 -4.186 8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.440 -5.027 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.058 -5.699 10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.047 -3.494 10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.498 -2.711 10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.057 -2.842 12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.675 -3.776 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.176 -4.534 12.425 1.00 0.00 H new ATOM 299 N ASN A 20 3.061 -5.113 6.325 1.00 0.00 N ATOM 300 CA ASN A 20 2.196 -6.278 6.128 1.00 0.00 C ATOM 301 C ASN A 20 2.016 -6.585 4.646 1.00 0.00 C ATOM 302 O ASN A 20 1.909 -7.747 4.255 1.00 0.00 O ATOM 303 CB ASN A 20 0.829 -6.100 6.810 1.00 0.00 C ATOM 304 CG ASN A 20 0.043 -4.905 6.313 1.00 0.00 C ATOM 305 OD1 ASN A 20 0.162 -4.498 5.160 1.00 0.00 O ATOM 306 ND2 ASN A 20 -0.779 -4.342 7.193 1.00 0.00 N ATOM 0 H ASN A 20 2.588 -4.284 6.685 1.00 0.00 H new ATOM 0 HA ASN A 20 2.693 -7.126 6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.237 -7.002 6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.981 -6.000 7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.344 -3.537 6.921 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.845 -4.715 8.140 1.00 0.00 H new ATOM 313 N ALA A 21 1.987 -5.544 3.826 1.00 0.00 N ATOM 314 CA ALA A 21 1.825 -5.716 2.387 1.00 0.00 C ATOM 315 C ALA A 21 2.995 -6.491 1.781 1.00 0.00 C ATOM 316 O ALA A 21 2.794 -7.419 1.001 1.00 0.00 O ATOM 317 CB ALA A 21 1.677 -4.366 1.709 1.00 0.00 C ATOM 0 H ALA A 21 2.073 -4.574 4.130 1.00 0.00 H new ATOM 0 HA ALA A 21 0.919 -6.298 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.557 -4.509 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.801 -3.853 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.566 -3.765 1.897 1.00 0.00 H new ATOM 323 N ARG A 22 4.217 -6.102 2.135 1.00 0.00 N ATOM 324 CA ARG A 22 5.411 -6.761 1.617 1.00 0.00 C ATOM 325 C ARG A 22 5.405 -8.253 1.940 1.00 0.00 C ATOM 326 O ARG A 22 5.672 -9.085 1.073 1.00 0.00 O ATOM 327 CB ARG A 22 6.670 -6.106 2.203 1.00 0.00 C ATOM 328 CG ARG A 22 7.558 -5.445 1.162 1.00 0.00 C ATOM 329 CD ARG A 22 8.212 -6.473 0.255 1.00 0.00 C ATOM 330 NE ARG A 22 9.228 -7.255 0.957 1.00 0.00 N ATOM 331 CZ ARG A 22 10.111 -8.043 0.349 1.00 0.00 C ATOM 332 NH1 ARG A 22 10.106 -8.160 -0.973 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.001 -8.717 1.064 1.00 0.00 N ATOM 0 H ARG A 22 4.406 -5.334 2.779 1.00 0.00 H new ATOM 0 HA ARG A 22 5.414 -6.648 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.371 -5.360 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.249 -6.862 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.965 -4.754 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.328 -4.856 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.450 -7.143 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.668 -5.968 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 22 9.262 -7.193 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.423 -7.644 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.785 -8.765 -1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.009 -8.632 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.678 -9.321 0.598 1.00 0.00 H new ATOM 347 N GLU A 23 5.112 -8.585 3.193 1.00 0.00 N ATOM 348 CA GLU A 23 5.089 -9.980 3.620 1.00 0.00 C ATOM 349 C GLU A 23 3.870 -10.713 3.065 1.00 0.00 C ATOM 350 O GLU A 23 3.999 -11.790 2.490 1.00 0.00 O ATOM 351 CB GLU A 23 5.110 -10.068 5.152 1.00 0.00 C ATOM 352 CG GLU A 23 4.854 -11.468 5.696 1.00 0.00 C ATOM 353 CD GLU A 23 5.954 -12.448 5.331 1.00 0.00 C ATOM 354 OE1 GLU A 23 6.829 -12.084 4.518 1.00 0.00 O ATOM 355 OE2 GLU A 23 5.937 -13.580 5.859 1.00 0.00 O ATOM 0 H GLU A 23 4.888 -7.912 3.927 1.00 0.00 H new ATOM 0 HA GLU A 23 5.981 -10.465 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.078 -9.721 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.358 -9.390 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.761 -11.420 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.903 -11.835 5.310 1.00 0.00 H new ATOM 362 N ALA A 24 2.691 -10.130 3.246 1.00 0.00 N ATOM 363 CA ALA A 24 1.453 -10.742 2.769 1.00 0.00 C ATOM 364 C ALA A 24 1.436 -10.887 1.253 1.00 0.00 C ATOM 365 O ALA A 24 1.129 -11.958 0.732 1.00 0.00 O ATOM 366 CB ALA A 24 0.251 -9.936 3.238 1.00 0.00 C ATOM 0 H ALA A 24 2.564 -9.235 3.719 1.00 0.00 H new ATOM 0 HA ALA A 24 1.399 -11.745 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.664 -10.403 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.236 -9.906 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.319 -8.921 2.848 1.00 0.00 H new ATOM 372 N VAL A 25 1.762 -9.813 0.541 1.00 0.00 N ATOM 373 CA VAL A 25 1.769 -9.852 -0.918 1.00 0.00 C ATOM 374 C VAL A 25 2.633 -11.013 -1.418 1.00 0.00 C ATOM 375 O VAL A 25 2.161 -11.863 -2.172 1.00 0.00 O ATOM 376 CB VAL A 25 2.238 -8.498 -1.533 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.755 -8.341 -1.493 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.720 -8.365 -2.956 1.00 0.00 C ATOM 0 H VAL A 25 2.022 -8.913 0.945 1.00 0.00 H new ATOM 0 HA VAL A 25 0.744 -10.015 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 25 1.821 -7.696 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.033 -7.383 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.098 -8.379 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.219 -9.148 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.053 -7.416 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.105 -9.186 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.630 -8.398 -2.951 1.00 0.00 H new ATOM 388 N LYS A 26 3.885 -11.059 -0.976 1.00 0.00 N ATOM 389 CA LYS A 26 4.795 -12.133 -1.361 1.00 0.00 C ATOM 390 C LYS A 26 4.356 -13.462 -0.742 1.00 0.00 C ATOM 391 O LYS A 26 4.364 -14.498 -1.409 1.00 0.00 O ATOM 392 CB LYS A 26 6.230 -11.799 -0.929 1.00 0.00 C ATOM 393 CG LYS A 26 7.266 -12.028 -2.019 1.00 0.00 C ATOM 394 CD LYS A 26 8.429 -12.872 -1.519 1.00 0.00 C ATOM 395 CE LYS A 26 8.193 -14.352 -1.774 1.00 0.00 C ATOM 396 NZ LYS A 26 7.615 -15.034 -0.583 1.00 0.00 N ATOM 0 H LYS A 26 4.294 -10.365 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 26 4.767 -12.230 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.272 -10.756 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.489 -12.405 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.797 -12.522 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.639 -11.068 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.347 -12.558 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.570 -12.704 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.520 -14.472 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.135 -14.829 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.273 -15.768 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.460 -14.338 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.708 -15.473 -0.840 1.00 0.00 H new ATOM 410 N GLU A 27 3.975 -13.426 0.538 1.00 0.00 N ATOM 411 CA GLU A 27 3.538 -14.630 1.248 1.00 0.00 C ATOM 412 C GLU A 27 2.362 -15.291 0.538 1.00 0.00 C ATOM 413 O GLU A 27 2.332 -16.511 0.376 1.00 0.00 O ATOM 414 CB GLU A 27 3.151 -14.296 2.691 1.00 0.00 C ATOM 415 CG GLU A 27 2.648 -15.493 3.483 1.00 0.00 C ATOM 416 CD GLU A 27 1.924 -15.089 4.753 1.00 0.00 C ATOM 417 OE1 GLU A 27 1.211 -14.064 4.728 1.00 0.00 O ATOM 418 OE2 GLU A 27 2.069 -15.799 5.769 1.00 0.00 O ATOM 0 H GLU A 27 3.961 -12.577 1.103 1.00 0.00 H new ATOM 0 HA GLU A 27 4.374 -15.329 1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.016 -13.872 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.378 -13.527 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.976 -16.082 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.491 -16.135 3.738 1.00 0.00 H new ATOM 425 N LEU A 28 1.397 -14.482 0.108 1.00 0.00 N ATOM 426 CA LEU A 28 0.226 -14.999 -0.593 1.00 0.00 C ATOM 427 C LEU A 28 0.644 -15.877 -1.772 1.00 0.00 C ATOM 428 O LEU A 28 -0.144 -16.680 -2.270 1.00 0.00 O ATOM 429 CB LEU A 28 -0.656 -13.848 -1.082 1.00 0.00 C ATOM 430 CG LEU A 28 -2.138 -13.980 -0.735 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.713 -15.256 -1.332 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.333 -13.959 0.774 1.00 0.00 C ATOM 0 H LEU A 28 1.403 -13.470 0.232 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.346 -15.608 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.280 -12.917 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.557 -13.769 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.671 -13.131 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.769 -15.334 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.604 -15.232 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.178 -16.118 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.394 -14.054 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.788 -14.789 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.957 -13.018 1.176 1.00 0.00 H new ATOM 444 N GLY A 29 1.891 -15.718 -2.208 1.00 0.00 N ATOM 445 CA GLY A 29 2.396 -16.501 -3.319 1.00 0.00 C ATOM 446 C GLY A 29 2.700 -15.656 -4.538 1.00 0.00 C ATOM 447 O GLY A 29 2.681 -16.153 -5.664 1.00 0.00 O ATOM 0 H GLY A 29 2.560 -15.059 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.301 -17.023 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.663 -17.263 -3.584 1.00 0.00 H new ATOM 451 N ILE A 30 2.991 -14.377 -4.316 1.00 0.00 N ATOM 452 CA ILE A 30 3.307 -13.468 -5.410 1.00 0.00 C ATOM 453 C ILE A 30 4.071 -12.244 -4.915 1.00 0.00 C ATOM 454 O ILE A 30 3.553 -11.449 -4.133 1.00 0.00 O ATOM 455 CB ILE A 30 2.038 -12.995 -6.152 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.961 -12.541 -5.156 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.511 -14.091 -7.070 1.00 0.00 C ATOM 458 CD1 ILE A 30 0.151 -13.670 -4.549 1.00 0.00 C ATOM 0 H ILE A 30 3.014 -13.949 -3.390 1.00 0.00 H new ATOM 0 HA ILE A 30 3.933 -14.032 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 30 2.303 -12.138 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.440 -11.981 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.282 -11.855 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.617 -13.737 -7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.274 -14.348 -7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.265 -14.973 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.585 -13.259 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.360 -14.218 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.815 -14.346 -4.011 1.00 0.00 H new ATOM 470 N ASP A 31 5.303 -12.093 -5.390 1.00 0.00 N ATOM 471 CA ASP A 31 6.136 -10.964 -5.013 1.00 0.00 C ATOM 472 C ASP A 31 5.484 -9.662 -5.446 1.00 0.00 C ATOM 473 O ASP A 31 4.553 -9.665 -6.249 1.00 0.00 O ATOM 474 CB ASP A 31 7.525 -11.089 -5.643 1.00 0.00 C ATOM 475 CG ASP A 31 8.620 -10.556 -4.740 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.855 -9.329 -4.754 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.243 -11.364 -4.021 1.00 0.00 O ATOM 0 H ASP A 31 5.745 -12.743 -6.040 1.00 0.00 H new ATOM 0 HA ASP A 31 6.244 -10.962 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.724 -12.136 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.542 -10.547 -6.589 1.00 0.00 H new ATOM 482 N ALA A 32 5.964 -8.554 -4.904 1.00 0.00 N ATOM 483 CA ALA A 32 5.429 -7.256 -5.232 1.00 0.00 C ATOM 484 C ALA A 32 6.526 -6.221 -5.142 1.00 0.00 C ATOM 485 O ALA A 32 7.592 -6.481 -4.582 1.00 0.00 O ATOM 486 CB ALA A 32 4.282 -6.910 -4.300 1.00 0.00 C ATOM 0 H ALA A 32 6.730 -8.536 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 32 5.043 -7.270 -6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.887 -5.927 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.494 -7.656 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.641 -6.898 -3.271 1.00 0.00 H new ATOM 492 N GLU A 33 6.271 -5.050 -5.687 1.00 0.00 N ATOM 493 CA GLU A 33 7.257 -3.991 -5.650 1.00 0.00 C ATOM 494 C GLU A 33 6.656 -2.742 -5.031 1.00 0.00 C ATOM 495 O GLU A 33 5.788 -2.100 -5.623 1.00 0.00 O ATOM 496 CB GLU A 33 7.785 -3.681 -7.051 1.00 0.00 C ATOM 497 CG GLU A 33 7.918 -4.906 -7.942 1.00 0.00 C ATOM 498 CD GLU A 33 9.118 -4.825 -8.866 1.00 0.00 C ATOM 499 OE1 GLU A 33 9.418 -3.714 -9.354 1.00 0.00 O ATOM 500 OE2 GLU A 33 9.756 -5.872 -9.104 1.00 0.00 O ATOM 0 H GLU A 33 5.398 -4.809 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 33 8.094 -4.327 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.117 -2.965 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.759 -3.199 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.003 -5.797 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.012 -5.018 -8.537 1.00 0.00 H new ATOM 507 N PHE A 34 7.107 -2.408 -3.834 1.00 0.00 N ATOM 508 CA PHE A 34 6.593 -1.243 -3.136 1.00 0.00 C ATOM 509 C PHE A 34 7.495 -0.037 -3.331 1.00 0.00 C ATOM 510 O PHE A 34 8.600 0.028 -2.792 1.00 0.00 O ATOM 511 CB PHE A 34 6.426 -1.556 -1.653 1.00 0.00 C ATOM 512 CG PHE A 34 5.580 -2.773 -1.407 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.097 -4.046 -1.599 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.265 -2.645 -0.992 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.317 -5.164 -1.381 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.482 -3.761 -0.772 1.00 0.00 C ATOM 517 CZ PHE A 34 4.007 -5.021 -0.966 1.00 0.00 C ATOM 0 H PHE A 34 7.825 -2.925 -3.327 1.00 0.00 H new ATOM 0 HA PHE A 34 5.619 -0.995 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.408 -1.705 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.975 -0.698 -1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.121 -4.164 -1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.847 -1.661 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.731 -6.150 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.458 -3.647 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.395 -5.894 -0.794 1.00 0.00 H new ATOM 527 N GLU A 35 7.002 0.919 -4.106 1.00 0.00 N ATOM 528 CA GLU A 35 7.745 2.139 -4.384 1.00 0.00 C ATOM 529 C GLU A 35 7.059 3.346 -3.755 1.00 0.00 C ATOM 530 O GLU A 35 5.941 3.704 -4.131 1.00 0.00 O ATOM 531 CB GLU A 35 7.881 2.348 -5.893 1.00 0.00 C ATOM 532 CG GLU A 35 9.021 1.560 -6.518 1.00 0.00 C ATOM 533 CD GLU A 35 9.159 1.818 -8.005 1.00 0.00 C ATOM 534 OE1 GLU A 35 9.898 2.753 -8.380 1.00 0.00 O ATOM 535 OE2 GLU A 35 8.529 1.085 -8.796 1.00 0.00 O ATOM 0 H GLU A 35 6.087 0.872 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 35 8.739 2.036 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.946 2.063 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.032 3.409 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.955 1.821 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.857 0.495 -6.351 1.00 0.00 H new ATOM 542 N LYS A 36 7.735 3.973 -2.801 1.00 0.00 N ATOM 543 CA LYS A 36 7.189 5.145 -2.130 1.00 0.00 C ATOM 544 C LYS A 36 7.486 6.398 -2.944 1.00 0.00 C ATOM 545 O LYS A 36 8.594 6.571 -3.450 1.00 0.00 O ATOM 546 CB LYS A 36 7.767 5.282 -0.720 1.00 0.00 C ATOM 547 CG LYS A 36 7.956 3.955 0.002 1.00 0.00 C ATOM 548 CD LYS A 36 9.417 3.713 0.355 1.00 0.00 C ATOM 549 CE LYS A 36 9.819 2.267 0.107 1.00 0.00 C ATOM 550 NZ LYS A 36 10.968 1.854 0.959 1.00 0.00 N ATOM 0 H LYS A 36 8.659 3.691 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 36 6.109 5.023 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.729 5.792 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.107 5.916 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.355 3.946 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.594 3.142 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.050 4.374 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.586 3.964 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.968 1.615 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.082 2.139 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.210 0.863 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.788 2.459 0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.709 1.952 1.962 1.00 0.00 H new ATOM 564 N ILE A 37 6.491 7.266 -3.070 1.00 0.00 N ATOM 565 CA ILE A 37 6.650 8.499 -3.830 1.00 0.00 C ATOM 566 C ILE A 37 6.863 9.680 -2.885 1.00 0.00 C ATOM 567 O ILE A 37 6.894 9.509 -1.667 1.00 0.00 O ATOM 568 CB ILE A 37 5.418 8.758 -4.746 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.394 9.655 -4.054 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.764 7.443 -5.149 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.937 9.109 -2.728 1.00 0.00 C ATOM 0 H ILE A 37 5.567 7.140 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 37 7.528 8.391 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 37 5.774 9.268 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.827 10.644 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.530 9.781 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.905 7.645 -5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.484 6.830 -5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.434 6.912 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.210 9.790 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.476 8.133 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.793 9.008 -2.061 1.00 0.00 H new ATOM 583 N LYS A 38 6.987 10.877 -3.443 1.00 0.00 N ATOM 584 CA LYS A 38 7.167 12.070 -2.631 1.00 0.00 C ATOM 585 C LYS A 38 6.761 13.316 -3.409 1.00 0.00 C ATOM 586 O LYS A 38 7.606 14.083 -3.869 1.00 0.00 O ATOM 587 CB LYS A 38 8.614 12.180 -2.152 1.00 0.00 C ATOM 588 CG LYS A 38 9.621 12.367 -3.275 1.00 0.00 C ATOM 589 CD LYS A 38 10.887 11.562 -3.029 1.00 0.00 C ATOM 590 CE LYS A 38 11.737 12.184 -1.932 1.00 0.00 C ATOM 591 NZ LYS A 38 13.195 12.034 -2.204 1.00 0.00 N ATOM 0 H LYS A 38 6.966 11.046 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 38 6.522 11.990 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.695 13.019 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.871 11.280 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.173 12.062 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.873 13.424 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.623 10.542 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.466 11.502 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.492 13.242 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.496 11.716 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.739 12.471 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.434 11.024 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.431 12.502 -3.102 1.00 0.00 H new ATOM 605 N GLU A 39 5.447 13.498 -3.539 1.00 0.00 N ATOM 606 CA GLU A 39 4.860 14.637 -4.254 1.00 0.00 C ATOM 607 C GLU A 39 3.463 14.274 -4.751 1.00 0.00 C ATOM 608 O GLU A 39 3.272 13.217 -5.350 1.00 0.00 O ATOM 609 CB GLU A 39 5.734 15.061 -5.441 1.00 0.00 C ATOM 610 CG GLU A 39 6.612 16.267 -5.149 1.00 0.00 C ATOM 611 CD GLU A 39 6.206 17.493 -5.944 1.00 0.00 C ATOM 612 OE1 GLU A 39 4.988 17.712 -6.117 1.00 0.00 O ATOM 613 OE2 GLU A 39 7.104 18.234 -6.396 1.00 0.00 O ATOM 0 H GLU A 39 4.754 12.858 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 39 4.798 15.474 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.367 14.223 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.092 15.287 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.564 16.497 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.649 16.019 -5.375 1.00 0.00 H new ATOM 620 N MET A 40 2.488 15.148 -4.504 1.00 0.00 N ATOM 621 CA MET A 40 1.115 14.892 -4.934 1.00 0.00 C ATOM 622 C MET A 40 1.058 14.557 -6.417 1.00 0.00 C ATOM 623 O MET A 40 0.144 13.865 -6.862 1.00 0.00 O ATOM 624 CB MET A 40 0.225 16.098 -4.630 1.00 0.00 C ATOM 625 CG MET A 40 -0.353 16.088 -3.224 1.00 0.00 C ATOM 626 SD MET A 40 0.899 16.362 -1.957 1.00 0.00 S ATOM 627 CE MET A 40 0.763 18.131 -1.723 1.00 0.00 C ATOM 0 H MET A 40 2.622 16.032 -4.013 1.00 0.00 H new ATOM 0 HA MET A 40 0.745 14.032 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.804 17.011 -4.769 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.593 16.126 -5.350 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.119 16.859 -3.145 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.844 15.131 -3.044 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.477 18.454 -0.966 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.976 18.640 -2.663 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.247 18.378 -1.397 1.00 0.00 H new ATOM 637 N ASP A 41 2.046 15.024 -7.177 1.00 0.00 N ATOM 638 CA ASP A 41 2.093 14.731 -8.605 1.00 0.00 C ATOM 639 C ASP A 41 1.953 13.229 -8.805 1.00 0.00 C ATOM 640 O ASP A 41 1.255 12.765 -9.706 1.00 0.00 O ATOM 641 CB ASP A 41 3.404 15.230 -9.217 1.00 0.00 C ATOM 642 CG ASP A 41 3.187 15.980 -10.517 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.131 15.773 -11.153 1.00 0.00 O ATOM 644 OD2 ASP A 41 4.071 16.776 -10.897 1.00 0.00 O ATOM 0 H ASP A 41 2.815 15.599 -6.833 1.00 0.00 H new ATOM 0 HA ASP A 41 1.273 15.246 -9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.909 15.882 -8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.064 14.381 -9.396 1.00 0.00 H new ATOM 649 N GLN A 42 2.607 12.479 -7.922 1.00 0.00 N ATOM 650 CA GLN A 42 2.550 11.027 -7.950 1.00 0.00 C ATOM 651 C GLN A 42 1.339 10.536 -7.162 1.00 0.00 C ATOM 652 O GLN A 42 0.701 9.550 -7.531 1.00 0.00 O ATOM 653 CB GLN A 42 3.831 10.431 -7.366 1.00 0.00 C ATOM 654 CG GLN A 42 5.025 10.515 -8.303 1.00 0.00 C ATOM 655 CD GLN A 42 6.111 11.438 -7.785 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.847 12.584 -7.423 1.00 0.00 O ATOM 657 NE2 GLN A 42 7.342 10.941 -7.748 1.00 0.00 N ATOM 0 H GLN A 42 3.186 12.860 -7.174 1.00 0.00 H new ATOM 0 HA GLN A 42 2.456 10.702 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.072 10.948 -6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.652 9.386 -7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.440 9.517 -8.447 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.691 10.865 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.516 9.985 -8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.114 11.515 -7.409 1.00 0.00 H new ATOM 666 N ILE A 43 1.032 11.235 -6.067 1.00 0.00 N ATOM 667 CA ILE A 43 -0.098 10.870 -5.219 1.00 0.00 C ATOM 668 C ILE A 43 -1.406 10.902 -5.996 1.00 0.00 C ATOM 669 O ILE A 43 -2.143 9.918 -6.045 1.00 0.00 O ATOM 670 CB ILE A 43 -0.217 11.786 -3.984 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.143 11.942 -3.295 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.237 11.217 -3.010 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.097 12.795 -2.045 1.00 0.00 C ATOM 0 H ILE A 43 1.550 12.054 -5.750 1.00 0.00 H new ATOM 0 HA ILE A 43 0.093 9.853 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.551 12.770 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.525 10.954 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.849 12.382 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.314 11.870 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.208 11.148 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.920 10.224 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.095 12.860 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.746 13.795 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.417 12.345 -1.322 1.00 0.00 H new ATOM 685 N LEU A 44 -1.679 12.039 -6.608 1.00 0.00 N ATOM 686 CA LEU A 44 -2.895 12.216 -7.394 1.00 0.00 C ATOM 687 C LEU A 44 -2.916 11.260 -8.585 1.00 0.00 C ATOM 688 O LEU A 44 -3.960 10.708 -8.928 1.00 0.00 O ATOM 689 CB LEU A 44 -3.033 13.680 -7.850 1.00 0.00 C ATOM 690 CG LEU A 44 -2.704 13.974 -9.321 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.351 15.280 -9.757 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.198 14.031 -9.532 1.00 0.00 C ATOM 0 H LEU A 44 -1.075 12.860 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.752 11.977 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.057 14.002 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.384 14.294 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.106 13.166 -9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.109 15.475 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.432 15.206 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.976 16.096 -9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.985 14.240 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.773 14.820 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.755 13.074 -9.256 1.00 0.00 H new ATOM 704 N GLU A 45 -1.754 11.058 -9.202 1.00 0.00 N ATOM 705 CA GLU A 45 -1.646 10.154 -10.344 1.00 0.00 C ATOM 706 C GLU A 45 -2.163 8.770 -9.973 1.00 0.00 C ATOM 707 O GLU A 45 -2.600 8.005 -10.833 1.00 0.00 O ATOM 708 CB GLU A 45 -0.196 10.062 -10.816 1.00 0.00 C ATOM 709 CG GLU A 45 -0.055 9.663 -12.276 1.00 0.00 C ATOM 710 CD GLU A 45 -0.005 10.860 -13.207 1.00 0.00 C ATOM 711 OE1 GLU A 45 -1.084 11.376 -13.567 1.00 0.00 O ATOM 712 OE2 GLU A 45 1.112 11.279 -13.576 1.00 0.00 O ATOM 0 H GLU A 45 -0.878 11.506 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.254 10.551 -11.157 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.289 11.026 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.333 9.337 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.852 9.072 -12.401 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.892 9.024 -12.557 1.00 0.00 H new ATOM 719 N ALA A 46 -2.124 8.466 -8.680 1.00 0.00 N ATOM 720 CA ALA A 46 -2.601 7.190 -8.179 1.00 0.00 C ATOM 721 C ALA A 46 -4.118 7.150 -8.237 1.00 0.00 C ATOM 722 O ALA A 46 -4.716 6.108 -8.503 1.00 0.00 O ATOM 723 CB ALA A 46 -2.117 6.967 -6.753 1.00 0.00 C ATOM 0 H ALA A 46 -1.764 9.092 -7.960 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.203 6.391 -8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.483 6.006 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.027 6.971 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.494 7.764 -6.112 1.00 0.00 H new ATOM 729 N GLY A 47 -4.733 8.302 -7.991 1.00 0.00 N ATOM 730 CA GLY A 47 -6.176 8.391 -8.026 1.00 0.00 C ATOM 731 C GLY A 47 -6.786 8.665 -6.663 1.00 0.00 C ATOM 732 O GLY A 47 -7.972 8.982 -6.566 1.00 0.00 O ATOM 0 H GLY A 47 -4.255 9.175 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.469 9.183 -8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.583 7.459 -8.419 1.00 0.00 H new ATOM 736 N LEU A 48 -5.985 8.548 -5.606 1.00 0.00 N ATOM 737 CA LEU A 48 -6.483 8.794 -4.256 1.00 0.00 C ATOM 738 C LEU A 48 -6.511 10.287 -3.937 1.00 0.00 C ATOM 739 O LEU A 48 -5.860 11.089 -4.606 1.00 0.00 O ATOM 740 CB LEU A 48 -5.659 8.027 -3.200 1.00 0.00 C ATOM 741 CG LEU A 48 -4.149 8.327 -3.099 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.331 7.134 -3.571 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.745 9.579 -3.864 1.00 0.00 C ATOM 0 H LEU A 48 -5.000 8.288 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.506 8.421 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.104 8.222 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.775 6.961 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.938 8.514 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.269 7.367 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.560 6.267 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.577 6.912 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.672 9.740 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.990 9.456 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.283 10.439 -3.465 1.00 0.00 H new ATOM 755 N THR A 49 -7.278 10.653 -2.915 1.00 0.00 N ATOM 756 CA THR A 49 -7.399 12.047 -2.509 1.00 0.00 C ATOM 757 C THR A 49 -6.809 12.269 -1.123 1.00 0.00 C ATOM 758 O THR A 49 -6.382 13.373 -0.787 1.00 0.00 O ATOM 759 CB THR A 49 -8.866 12.512 -2.510 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.668 11.613 -1.733 1.00 0.00 O ATOM 761 CG2 THR A 49 -9.409 12.583 -3.930 1.00 0.00 C ATOM 0 H THR A 49 -7.826 10.002 -2.353 1.00 0.00 H new ATOM 0 HA THR A 49 -6.841 12.635 -3.238 1.00 0.00 H new ATOM 0 HB THR A 49 -8.908 13.508 -2.069 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.599 11.918 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.447 12.914 -3.906 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.816 13.289 -4.511 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.353 11.597 -4.391 1.00 0.00 H new ATOM 769 N ALA A 50 -6.784 11.211 -0.329 1.00 0.00 N ATOM 770 CA ALA A 50 -6.241 11.281 1.020 1.00 0.00 C ATOM 771 C ALA A 50 -4.716 11.259 0.986 1.00 0.00 C ATOM 772 O ALA A 50 -4.117 11.049 -0.068 1.00 0.00 O ATOM 773 CB ALA A 50 -6.773 10.129 1.848 1.00 0.00 C ATOM 0 H ALA A 50 -7.134 10.291 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.555 12.219 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.363 10.186 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.861 10.186 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.478 9.185 1.390 1.00 0.00 H new ATOM 779 N LEU A 51 -4.087 11.484 2.138 1.00 0.00 N ATOM 780 CA LEU A 51 -2.632 11.492 2.207 1.00 0.00 C ATOM 781 C LEU A 51 -2.064 10.073 2.213 1.00 0.00 C ATOM 782 O LEU A 51 -1.359 9.685 1.283 1.00 0.00 O ATOM 783 CB LEU A 51 -2.146 12.278 3.428 1.00 0.00 C ATOM 784 CG LEU A 51 -1.410 13.580 3.108 1.00 0.00 C ATOM 785 CD1 LEU A 51 -2.312 14.526 2.332 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.914 14.240 4.387 1.00 0.00 C ATOM 0 H LEU A 51 -4.558 11.661 3.025 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.264 11.992 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.005 12.509 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.485 11.639 4.013 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.546 13.344 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.771 15.447 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.617 14.054 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.195 14.757 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.393 15.165 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.762 14.463 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.231 13.565 4.903 1.00 0.00 H new ATOM 798 N PRO A 52 -2.356 9.272 3.254 1.00 0.00 N ATOM 799 CA PRO A 52 -1.859 7.893 3.345 1.00 0.00 C ATOM 800 C PRO A 52 -2.480 6.980 2.288 1.00 0.00 C ATOM 801 O PRO A 52 -3.106 5.971 2.617 1.00 0.00 O ATOM 802 CB PRO A 52 -2.276 7.439 4.755 1.00 0.00 C ATOM 803 CG PRO A 52 -2.696 8.679 5.471 1.00 0.00 C ATOM 804 CD PRO A 52 -3.182 9.628 4.416 1.00 0.00 C ATOM 0 HA PRO A 52 -0.784 7.844 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.092 6.718 4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.448 6.951 5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.483 8.464 6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.863 9.109 6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.245 9.497 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.040 10.668 4.710 1.00 0.00 H new ATOM 812 N GLY A 53 -2.307 7.336 1.017 1.00 0.00 N ATOM 813 CA GLY A 53 -2.859 6.538 -0.057 1.00 0.00 C ATOM 814 C GLY A 53 -1.967 5.381 -0.450 1.00 0.00 C ATOM 815 O GLY A 53 -0.750 5.529 -0.555 1.00 0.00 O ATOM 0 H GLY A 53 -1.794 8.164 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.832 6.153 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.025 7.174 -0.927 1.00 0.00 H new ATOM 819 N LEU A 54 -2.583 4.229 -0.676 1.00 0.00 N ATOM 820 CA LEU A 54 -1.859 3.032 -1.075 1.00 0.00 C ATOM 821 C LEU A 54 -2.508 2.427 -2.312 1.00 0.00 C ATOM 822 O LEU A 54 -3.568 1.808 -2.223 1.00 0.00 O ATOM 823 CB LEU A 54 -1.849 2.009 0.067 1.00 0.00 C ATOM 824 CG LEU A 54 -0.593 2.018 0.943 1.00 0.00 C ATOM 825 CD1 LEU A 54 0.575 1.378 0.208 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.245 3.436 1.372 1.00 0.00 C ATOM 0 H LEU A 54 -3.591 4.099 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.829 3.303 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.716 2.190 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.968 1.013 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.797 1.432 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.459 1.393 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.326 0.347 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.778 1.935 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.650 3.419 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.062 4.049 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.074 3.858 1.941 1.00 0.00 H new ATOM 838 N ALA A 55 -1.883 2.621 -3.469 1.00 0.00 N ATOM 839 CA ALA A 55 -2.433 2.099 -4.712 1.00 0.00 C ATOM 840 C ALA A 55 -1.780 0.780 -5.098 1.00 0.00 C ATOM 841 O ALA A 55 -0.565 0.702 -5.276 1.00 0.00 O ATOM 842 CB ALA A 55 -2.272 3.112 -5.832 1.00 0.00 C ATOM 0 H ALA A 55 -1.005 3.130 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.495 1.914 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.689 2.705 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.798 4.030 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.214 3.329 -5.977 1.00 0.00 H new ATOM 848 N VAL A 56 -2.600 -0.252 -5.232 1.00 0.00 N ATOM 849 CA VAL A 56 -2.118 -1.573 -5.603 1.00 0.00 C ATOM 850 C VAL A 56 -2.620 -1.963 -6.979 1.00 0.00 C ATOM 851 O VAL A 56 -3.771 -1.701 -7.332 1.00 0.00 O ATOM 852 CB VAL A 56 -2.542 -2.651 -4.590 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.444 -2.856 -3.565 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.858 -2.285 -3.916 1.00 0.00 C ATOM 0 H VAL A 56 -3.608 -0.198 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.030 -1.516 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.700 -3.587 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.751 -3.620 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.531 -3.175 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.259 -1.920 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.132 -3.065 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.746 -1.337 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.639 -2.190 -4.670 1.00 0.00 H new ATOM 864 N ASP A 57 -1.744 -2.579 -7.761 1.00 0.00 N ATOM 865 CA ASP A 57 -2.091 -2.994 -9.116 1.00 0.00 C ATOM 866 C ASP A 57 -2.772 -1.852 -9.869 1.00 0.00 C ATOM 867 O ASP A 57 -3.562 -2.081 -10.785 1.00 0.00 O ATOM 868 CB ASP A 57 -3.012 -4.218 -9.082 1.00 0.00 C ATOM 869 CG ASP A 57 -2.493 -5.357 -9.938 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.897 -5.079 -10.999 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.682 -6.528 -9.545 1.00 0.00 O ATOM 0 H ASP A 57 -0.789 -2.803 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.171 -3.259 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.119 -4.560 -8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.005 -3.931 -9.427 1.00 0.00 H new ATOM 876 N GLY A 58 -2.465 -0.620 -9.465 1.00 0.00 N ATOM 877 CA GLY A 58 -3.061 0.540 -10.101 1.00 0.00 C ATOM 878 C GLY A 58 -4.496 0.765 -9.669 1.00 0.00 C ATOM 879 O GLY A 58 -5.320 1.234 -10.454 1.00 0.00 O ATOM 0 H GLY A 58 -1.814 -0.407 -8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.470 1.425 -9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.026 0.415 -11.183 1.00 0.00 H new ATOM 883 N GLU A 59 -4.799 0.427 -8.419 1.00 0.00 N ATOM 884 CA GLU A 59 -6.147 0.596 -7.891 1.00 0.00 C ATOM 885 C GLU A 59 -6.116 0.981 -6.413 1.00 0.00 C ATOM 886 O GLU A 59 -5.908 0.133 -5.544 1.00 0.00 O ATOM 887 CB GLU A 59 -6.957 -0.689 -8.079 1.00 0.00 C ATOM 888 CG GLU A 59 -7.760 -0.719 -9.371 1.00 0.00 C ATOM 889 CD GLU A 59 -9.253 -0.591 -9.135 1.00 0.00 C ATOM 890 OE1 GLU A 59 -9.643 0.032 -8.125 1.00 0.00 O ATOM 891 OE2 GLU A 59 -10.031 -1.115 -9.960 1.00 0.00 O ATOM 0 H GLU A 59 -4.131 0.036 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.625 1.404 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.279 -1.542 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.637 -0.807 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.428 0.092 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.558 -1.652 -9.898 1.00 0.00 H new ATOM 898 N LEU A 60 -6.332 2.265 -6.139 1.00 0.00 N ATOM 899 CA LEU A 60 -6.339 2.771 -4.764 1.00 0.00 C ATOM 900 C LEU A 60 -7.217 1.903 -3.871 1.00 0.00 C ATOM 901 O LEU A 60 -8.383 1.657 -4.179 1.00 0.00 O ATOM 902 CB LEU A 60 -6.832 4.222 -4.725 1.00 0.00 C ATOM 903 CG LEU A 60 -6.203 5.170 -5.754 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.786 4.736 -6.102 1.00 0.00 C ATOM 905 CD2 LEU A 60 -7.068 5.248 -7.006 1.00 0.00 C ATOM 0 H LEU A 60 -6.505 2.976 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.316 2.735 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.912 4.223 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.645 4.622 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.148 6.164 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.364 5.425 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.172 4.742 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.806 3.730 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.607 5.925 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.159 4.256 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.058 5.619 -6.742 1.00 0.00 H new ATOM 917 N LYS A 61 -6.647 1.435 -2.767 1.00 0.00 N ATOM 918 CA LYS A 61 -7.378 0.585 -1.837 1.00 0.00 C ATOM 919 C LYS A 61 -7.555 1.257 -0.478 1.00 0.00 C ATOM 920 O LYS A 61 -8.449 0.890 0.284 1.00 0.00 O ATOM 921 CB LYS A 61 -6.651 -0.751 -1.664 1.00 0.00 C ATOM 922 CG LYS A 61 -7.263 -1.886 -2.469 1.00 0.00 C ATOM 923 CD LYS A 61 -8.226 -2.708 -1.629 1.00 0.00 C ATOM 924 CE LYS A 61 -8.509 -4.058 -2.268 1.00 0.00 C ATOM 925 NZ LYS A 61 -9.916 -4.494 -2.048 1.00 0.00 N ATOM 0 H LYS A 61 -5.683 1.629 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.369 0.411 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.609 -0.629 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.654 -1.023 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.788 -1.479 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.471 -2.530 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.807 -2.856 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.160 -2.160 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.310 -4.002 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.829 -4.804 -1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.068 -5.419 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.099 -4.573 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.565 -3.795 -2.463 1.00 0.00 H new ATOM 939 N ILE A 62 -6.702 2.231 -0.164 1.00 0.00 N ATOM 940 CA ILE A 62 -6.799 2.914 1.126 1.00 0.00 C ATOM 941 C ILE A 62 -6.208 4.321 1.082 1.00 0.00 C ATOM 942 O ILE A 62 -5.108 4.527 0.576 1.00 0.00 O ATOM 943 CB ILE A 62 -6.099 2.113 2.250 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.143 1.069 1.665 1.00 0.00 C ATOM 945 CG2 ILE A 62 -7.134 1.444 3.144 1.00 0.00 C ATOM 946 CD1 ILE A 62 -4.155 0.521 2.671 1.00 0.00 C ATOM 0 H ILE A 62 -5.951 2.560 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.865 2.988 1.343 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.513 2.809 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.726 0.244 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.594 1.515 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.628 0.884 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.772 2.204 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.744 0.764 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.511 -0.212 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.546 1.335 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.695 0.045 3.489 1.00 0.00 H new ATOM 958 N MET A 63 -6.949 5.278 1.637 1.00 0.00 N ATOM 959 CA MET A 63 -6.510 6.671 1.693 1.00 0.00 C ATOM 960 C MET A 63 -7.003 7.331 2.975 1.00 0.00 C ATOM 961 O MET A 63 -8.147 7.132 3.385 1.00 0.00 O ATOM 962 CB MET A 63 -7.007 7.461 0.471 1.00 0.00 C ATOM 963 CG MET A 63 -7.692 6.610 -0.572 1.00 0.00 C ATOM 964 SD MET A 63 -8.579 7.582 -1.804 1.00 0.00 S ATOM 965 CE MET A 63 -9.821 6.406 -2.334 1.00 0.00 C ATOM 0 H MET A 63 -7.863 5.112 2.057 1.00 0.00 H new ATOM 0 HA MET A 63 -5.420 6.678 1.684 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.699 8.233 0.807 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.160 7.970 0.011 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.948 5.991 -1.073 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.391 5.934 -0.079 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.451 6.862 -3.098 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.333 5.522 -2.745 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.436 6.117 -1.482 1.00 0.00 H new ATOM 975 N GLY A 64 -6.138 8.120 3.606 1.00 0.00 N ATOM 976 CA GLY A 64 -6.520 8.795 4.834 1.00 0.00 C ATOM 977 C GLY A 64 -6.411 7.902 6.054 1.00 0.00 C ATOM 978 O GLY A 64 -6.640 8.348 7.178 1.00 0.00 O ATOM 0 H GLY A 64 -5.185 8.303 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.887 9.671 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.545 9.153 4.742 1.00 0.00 H new ATOM 982 N ARG A 65 -6.063 6.638 5.834 1.00 0.00 N ATOM 983 CA ARG A 65 -5.927 5.680 6.927 1.00 0.00 C ATOM 984 C ARG A 65 -5.530 4.312 6.390 1.00 0.00 C ATOM 985 O ARG A 65 -6.368 3.567 5.879 1.00 0.00 O ATOM 986 CB ARG A 65 -7.239 5.573 7.709 1.00 0.00 C ATOM 987 CG ARG A 65 -7.181 4.588 8.866 1.00 0.00 C ATOM 988 CD ARG A 65 -7.725 5.200 10.148 1.00 0.00 C ATOM 989 NE ARG A 65 -8.100 4.183 11.127 1.00 0.00 N ATOM 990 CZ ARG A 65 -9.244 3.505 11.089 1.00 0.00 C ATOM 991 NH1 ARG A 65 -10.126 3.729 10.122 1.00 0.00 N ATOM 992 NH2 ARG A 65 -9.508 2.600 12.021 1.00 0.00 N ATOM 0 H ARG A 65 -5.870 6.253 4.909 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.144 6.035 7.598 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.504 6.558 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.035 5.273 7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.756 3.696 8.615 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.150 4.270 9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.973 5.860 10.581 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.594 5.816 9.915 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.447 3.981 11.884 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.928 4.424 9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.001 3.206 10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.834 2.424 12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.385 2.080 11.993 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.248 3.986 6.499 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.748 2.710 6.015 1.00 0.00 C ATOM 1008 C VAL A 66 -4.340 1.550 6.818 1.00 0.00 C ATOM 1009 O VAL A 66 -4.510 1.648 8.033 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.202 2.665 6.056 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.690 1.894 7.268 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.656 2.070 4.768 1.00 0.00 C ATOM 0 H VAL A 66 -3.539 4.588 6.918 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.063 2.604 4.977 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.843 3.690 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.600 1.886 7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.042 2.375 8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.061 0.870 7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.567 2.045 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.038 1.056 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.971 2.681 3.922 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.656 0.459 6.129 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.234 -0.715 6.775 1.00 0.00 C ATOM 1024 C ALA A 67 -4.259 -1.333 7.772 1.00 0.00 C ATOM 1025 O ALA A 67 -3.197 -0.775 8.045 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.650 -1.740 5.731 1.00 0.00 C ATOM 0 H ALA A 67 -4.522 0.363 5.122 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.118 -0.396 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.079 -2.611 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.391 -1.300 5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.778 -2.045 5.153 1.00 0.00 H new ATOM 1032 N SER A 68 -4.629 -2.490 8.314 1.00 0.00 N ATOM 1033 CA SER A 68 -3.789 -3.185 9.282 1.00 0.00 C ATOM 1034 C SER A 68 -3.407 -4.572 8.772 1.00 0.00 C ATOM 1035 O SER A 68 -3.800 -4.970 7.676 1.00 0.00 O ATOM 1036 CB SER A 68 -4.512 -3.301 10.626 1.00 0.00 C ATOM 1037 OG SER A 68 -3.645 -2.981 11.701 1.00 0.00 O ATOM 0 H SER A 68 -5.505 -2.965 8.099 1.00 0.00 H new ATOM 0 HA SER A 68 -2.877 -2.605 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.373 -2.633 10.638 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.893 -4.315 10.751 1.00 0.00 H new ATOM 0 HG SER A 68 -4.131 -3.061 12.548 1.00 0.00 H new ATOM 1043 N LYS A 69 -2.638 -5.302 9.573 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.200 -6.643 9.200 1.00 0.00 C ATOM 1045 C LYS A 69 -3.392 -7.562 8.943 1.00 0.00 C ATOM 1046 O LYS A 69 -3.424 -8.288 7.950 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.311 -7.236 10.293 1.00 0.00 C ATOM 1048 CG LYS A 69 -2.016 -7.399 11.630 1.00 0.00 C ATOM 1049 CD LYS A 69 -1.027 -7.698 12.745 1.00 0.00 C ATOM 1050 CE LYS A 69 -1.443 -7.042 14.050 1.00 0.00 C ATOM 1051 NZ LYS A 69 -0.760 -5.736 14.256 1.00 0.00 N ATOM 0 H LYS A 69 -2.305 -4.988 10.485 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.626 -6.562 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.945 -8.209 9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.439 -6.596 10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.568 -6.489 11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.746 -8.206 11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.952 -8.776 12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.037 -7.344 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.523 -6.892 14.053 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.212 -7.708 14.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.071 -5.320 15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.269 -5.882 14.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.001 -5.091 13.476 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.370 -7.529 9.843 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.559 -8.364 9.710 1.00 0.00 C ATOM 1067 C GLU A 70 -6.313 -8.042 8.422 1.00 0.00 C ATOM 1068 O GLU A 70 -6.785 -8.942 7.730 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.481 -8.178 10.917 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.682 -9.110 10.916 1.00 0.00 C ATOM 1071 CD GLU A 70 -8.969 -8.407 10.527 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.908 -7.473 9.700 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -10.036 -8.790 11.050 1.00 0.00 O ATOM 0 H GLU A 70 -4.363 -6.934 10.671 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.235 -9.404 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.907 -8.339 11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.832 -7.146 10.939 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.498 -9.932 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.798 -9.548 11.907 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.424 -6.754 8.109 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.122 -6.318 6.903 1.00 0.00 C ATOM 1082 C GLU A 71 -6.516 -6.957 5.657 1.00 0.00 C ATOM 1083 O GLU A 71 -7.235 -7.420 4.772 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.071 -4.794 6.783 1.00 0.00 C ATOM 1085 CG GLU A 71 -7.744 -4.070 7.937 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.233 -4.344 8.008 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -9.934 -4.080 7.009 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -9.700 -4.824 9.063 1.00 0.00 O ATOM 0 H GLU A 71 -6.040 -5.995 8.672 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.161 -6.637 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.030 -4.477 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.548 -4.495 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.277 -4.374 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.580 -2.997 7.833 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.189 -6.976 5.596 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.483 -7.557 4.462 1.00 0.00 C ATOM 1097 C ILE A 72 -4.734 -9.059 4.368 1.00 0.00 C ATOM 1098 O ILE A 72 -5.175 -9.561 3.335 1.00 0.00 O ATOM 1099 CB ILE A 72 -2.965 -7.294 4.560 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.691 -5.791 4.631 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.229 -7.912 3.381 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -3.327 -5.001 3.506 1.00 0.00 C ATOM 0 H ILE A 72 -4.580 -6.595 6.320 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.868 -7.078 3.562 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.596 -7.762 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.058 -5.409 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.614 -5.626 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.161 -7.713 3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.398 -8.989 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.600 -7.478 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.089 -3.944 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.942 -5.355 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.408 -5.134 3.534 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.451 -9.772 5.454 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.649 -11.216 5.491 1.00 0.00 C ATOM 1116 C LYS A 73 -6.105 -11.574 5.209 1.00 0.00 C ATOM 1117 O LYS A 73 -6.392 -12.584 4.569 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.230 -11.775 6.853 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.223 -13.295 6.909 1.00 0.00 C ATOM 1120 CD LYS A 73 -5.486 -13.836 7.564 1.00 0.00 C ATOM 1121 CE LYS A 73 -6.121 -14.938 6.731 1.00 0.00 C ATOM 1122 NZ LYS A 73 -5.188 -16.079 6.511 1.00 0.00 N ATOM 0 H LYS A 73 -4.084 -9.374 6.318 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.027 -11.662 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.234 -11.406 7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.908 -11.394 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.135 -13.697 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.349 -13.635 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.246 -14.221 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.201 -13.025 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.021 -15.297 7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.431 -14.532 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.726 -16.913 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.494 -15.824 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.692 -16.298 7.398 1.00 0.00 H new