USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -25:sc= 1.24 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.61 K(o=2.8,f=-4.8!) USER MOD Set 2.1: A 7 THR OG1 : rot 171:sc= -0.843 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -174:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 130:sc= 0.56 USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.188) USER MOD Single : A 1 MET N :NH3+ 164:sc= 2.3 (180deg=1.96) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.06) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 2.01 (180deg=0.381) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.868) USER MOD Single : A 31 GLN : amide:sc= -0.0305 K(o=-0.03,f=-0.61) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.52) USER MOD Single : A 41 GLN : amide:sc= -0.0652 K(o=-0.065,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 55 THR OG1 : rot -72:sc= 0.707 USER MOD Single : A 57 SER OG : rot 71:sc= 0.483 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.72 USER MOD Single : A 60 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.0077) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= -0.0822 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.475 K(o=0.47,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.771 -7.339 -5.135 1.00 9.67 N ATOM 2 CA MET A 1 10.849 -7.705 -3.660 1.00 10.38 C ATOM 3 C MET A 1 9.509 -8.051 -3.075 1.00 9.62 C ATOM 4 O MET A 1 8.540 -7.332 -3.363 1.00 9.62 O ATOM 5 CB MET A 1 11.610 -6.582 -2.879 1.00 13.77 C ATOM 6 CG MET A 1 10.961 -5.230 -2.976 1.00 16.29 C ATOM 7 SD MET A 1 11.890 -3.835 -2.346 1.00 17.17 S ATOM 8 CE MET A 1 10.606 -3.060 -1.213 1.00 16.11 C ATOM 0 H1 MET A 1 11.647 -6.856 -5.420 1.00 9.67 H new ATOM 0 H2 MET A 1 10.652 -8.203 -5.701 1.00 9.67 H new ATOM 0 H3 MET A 1 9.960 -6.707 -5.294 1.00 9.67 H new ATOM 0 HA MET A 1 11.426 -8.624 -3.558 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.681 -6.866 -1.829 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.629 -6.514 -3.260 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.732 -5.039 -4.024 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.010 -5.272 -2.444 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.908 -2.043 -0.964 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.640 -3.039 -1.718 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.524 -3.649 -0.299 1.00 16.11 H new ATOM 20 N GLN A 2 9.390 -9.162 -2.266 1.00 9.27 N ATOM 21 CA GLN A 2 8.306 -9.462 -1.378 1.00 9.07 C ATOM 22 C GLN A 2 8.062 -8.367 -0.364 1.00 8.72 C ATOM 23 O GLN A 2 8.915 -7.891 0.336 1.00 8.22 O ATOM 24 CB GLN A 2 8.495 -10.764 -0.743 1.00 14.46 C ATOM 25 CG GLN A 2 7.323 -11.205 0.155 1.00 17.01 C ATOM 26 CD GLN A 2 7.562 -12.577 0.812 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.535 -13.628 0.134 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.770 -12.594 2.130 1.00 19.49 N ATOM 0 H GLN A 2 10.110 -9.884 -2.248 1.00 9.27 H new ATOM 0 HA GLN A 2 7.402 -9.515 -1.984 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.647 -11.515 -1.518 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.406 -10.735 -0.145 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.165 -10.457 0.932 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.410 -11.245 -0.439 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.786 -11.720 2.655 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.913 -13.481 2.612 1.00 19.49 H new ATOM 37 N ILE A 3 6.769 -8.034 -0.140 1.00 5.87 N ATOM 38 CA ILE A 3 6.337 -7.280 1.056 1.00 5.07 C ATOM 39 C ILE A 3 4.966 -7.686 1.435 1.00 4.01 C ATOM 40 O ILE A 3 4.208 -8.165 0.543 1.00 4.61 O ATOM 41 CB ILE A 3 6.327 -5.770 0.976 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.588 -5.313 -0.307 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.801 -5.258 1.126 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.250 -3.785 -0.226 1.00 10.83 C ATOM 0 H ILE A 3 6.008 -8.277 -0.774 1.00 5.87 H new ATOM 0 HA ILE A 3 7.107 -7.537 1.783 1.00 5.07 H new ATOM 0 HB ILE A 3 5.763 -5.317 1.791 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.208 -5.509 -1.181 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.671 -5.889 -0.431 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.815 -4.169 1.071 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.201 -5.578 2.088 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.413 -5.670 0.323 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.731 -3.479 -1.134 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.611 -3.599 0.637 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.172 -3.213 -0.125 1.00 10.83 H new ATOM 56 N PHE A 4 4.678 -7.645 2.692 1.00 4.55 N ATOM 57 CA PHE A 4 3.326 -7.786 3.140 1.00 4.68 C ATOM 58 C PHE A 4 2.421 -6.494 3.078 1.00 5.30 C ATOM 59 O PHE A 4 2.898 -5.391 3.401 1.00 5.58 O ATOM 60 CB PHE A 4 3.259 -8.220 4.649 1.00 4.83 C ATOM 61 CG PHE A 4 3.980 -9.548 4.896 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.576 -10.703 4.226 1.00 6.69 C ATOM 63 CD2 PHE A 4 4.943 -9.747 5.901 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.204 -11.940 4.432 1.00 9.10 C ATOM 65 CE2 PHE A 4 5.550 -10.958 6.125 1.00 10.61 C ATOM 66 CZ PHE A 4 5.151 -12.132 5.417 1.00 8.90 C ATOM 0 H PHE A 4 5.364 -7.514 3.436 1.00 4.55 H new ATOM 0 HA PHE A 4 2.946 -8.527 2.437 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.706 -7.444 5.270 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.217 -8.311 4.954 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.755 -10.643 3.527 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.218 -8.909 6.525 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.937 -12.772 3.797 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.346 -11.024 6.852 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.563 -13.106 5.638 1.00 8.90 H new ATOM 76 N VAL A 5 1.114 -6.674 2.864 1.00 4.44 N ATOM 77 CA VAL A 5 0.060 -5.634 3.145 1.00 3.87 C ATOM 78 C VAL A 5 -1.044 -6.281 3.929 1.00 4.93 C ATOM 79 O VAL A 5 -1.566 -7.321 3.599 1.00 6.84 O ATOM 80 CB VAL A 5 -0.388 -4.897 1.894 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.542 -3.883 2.167 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.781 -4.176 1.174 1.00 9.13 C ATOM 0 H VAL A 5 0.732 -7.542 2.489 1.00 4.44 H new ATOM 0 HA VAL A 5 0.476 -4.834 3.758 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.770 -5.676 1.234 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.819 -3.388 1.236 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.406 -4.414 2.566 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.208 -3.138 2.889 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.403 -3.666 0.288 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.229 -3.447 1.849 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.533 -4.908 0.879 1.00 9.13 H new ATOM 92 N LYS A 6 -1.475 -5.537 4.967 1.00 6.04 N ATOM 93 CA LYS A 6 -2.220 -6.181 6.004 1.00 6.12 C ATOM 94 C LYS A 6 -3.529 -5.420 6.191 1.00 6.57 C ATOM 95 O LYS A 6 -3.566 -4.185 6.152 1.00 5.76 O ATOM 96 CB LYS A 6 -1.398 -6.145 7.374 1.00 7.45 C ATOM 97 CG LYS A 6 -1.823 -7.210 8.326 1.00 11.12 C ATOM 98 CD LYS A 6 -1.045 -7.157 9.614 1.00 14.54 C ATOM 99 CE LYS A 6 -1.172 -8.463 10.487 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.290 -9.585 9.875 1.00 20.55 N ATOM 0 H LYS A 6 -1.317 -4.536 5.086 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.409 -7.219 5.732 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.335 -6.258 7.159 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.526 -5.170 7.845 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.886 -7.102 8.540 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.689 -8.187 7.861 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.007 -6.984 9.386 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.388 -6.304 10.200 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.861 -8.260 11.512 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.212 -8.786 10.528 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.452 -10.474 10.390 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.539 -9.715 8.874 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.712 -9.319 9.951 1.00 20.55 H new ATOM 114 N THR A 7 -4.633 -6.063 6.435 1.00 7.41 N ATOM 115 CA THR A 7 -5.949 -5.507 6.656 1.00 7.48 C ATOM 116 C THR A 7 -6.250 -5.403 8.100 1.00 8.75 C ATOM 117 O THR A 7 -5.534 -5.878 9.002 1.00 8.58 O ATOM 118 CB THR A 7 -7.121 -6.204 5.864 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.618 -7.437 6.518 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.657 -6.549 4.414 1.00 9.17 C ATOM 0 H THR A 7 -4.643 -7.081 6.491 1.00 7.41 H new ATOM 0 HA THR A 7 -5.901 -4.505 6.230 1.00 7.48 H new ATOM 0 HB THR A 7 -7.944 -5.490 5.847 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.432 -7.742 6.065 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.474 -7.030 3.875 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.370 -5.634 3.896 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.803 -7.225 4.456 1.00 9.17 H new ATOM 128 N LEU A 8 -7.344 -4.700 8.498 1.00 9.84 N ATOM 129 CA LEU A 8 -7.628 -4.242 9.836 1.00 14.15 C ATOM 130 C LEU A 8 -8.347 -5.353 10.630 1.00 17.37 C ATOM 131 O LEU A 8 -8.374 -5.337 11.849 1.00 17.01 O ATOM 132 CB LEU A 8 -8.296 -2.937 9.930 1.00 16.63 C ATOM 133 CG LEU A 8 -7.458 -1.697 9.607 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.312 -0.477 9.649 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.238 -1.508 10.506 1.00 18.59 C ATOM 0 H LEU A 8 -8.076 -4.436 7.838 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.663 -4.043 10.302 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.155 -2.948 9.259 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.684 -2.828 10.943 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.068 -1.858 8.602 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.706 0.399 9.418 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.113 -0.568 8.915 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.742 -0.368 10.645 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.702 -0.607 10.208 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.561 -1.412 11.542 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.578 -2.371 10.410 1.00 18.59 H new ATOM 147 N THR A 9 -8.771 -6.396 9.897 1.00 18.33 N ATOM 148 CA THR A 9 -9.318 -7.673 10.419 1.00 19.24 C ATOM 149 C THR A 9 -8.335 -8.786 10.315 1.00 19.48 C ATOM 150 O THR A 9 -8.557 -9.937 10.656 1.00 23.14 O ATOM 151 CB THR A 9 -10.625 -8.199 9.891 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.618 -8.323 8.503 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.649 -7.124 10.257 1.00 19.70 C ATOM 0 H THR A 9 -8.743 -6.378 8.878 1.00 18.33 H new ATOM 0 HA THR A 9 -9.530 -7.360 11.441 1.00 19.24 H new ATOM 0 HB THR A 9 -10.834 -9.185 10.306 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.484 -8.669 8.201 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.636 -7.427 9.907 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.671 -6.996 11.339 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.371 -6.181 9.786 1.00 19.70 H new ATOM 161 N GLY A 10 -7.108 -8.405 9.947 1.00 19.43 N ATOM 162 CA GLY A 10 -5.910 -9.283 10.027 1.00 18.74 C ATOM 163 C GLY A 10 -5.592 -10.087 8.859 1.00 17.62 C ATOM 164 O GLY A 10 -4.611 -10.860 8.853 1.00 19.74 O ATOM 0 H GLY A 10 -6.904 -7.475 9.581 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.047 -8.656 10.250 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.042 -9.956 10.874 1.00 18.74 H new ATOM 168 N LYS A 11 -6.422 -9.985 7.772 1.00 13.56 N ATOM 169 CA LYS A 11 -5.989 -10.607 6.530 1.00 11.91 C ATOM 170 C LYS A 11 -4.669 -10.027 6.075 1.00 10.18 C ATOM 171 O LYS A 11 -4.484 -8.802 6.153 1.00 9.10 O ATOM 172 CB LYS A 11 -7.034 -10.391 5.385 1.00 13.43 C ATOM 173 CG LYS A 11 -6.566 -10.848 4.029 1.00 16.69 C ATOM 174 CD LYS A 11 -7.798 -10.706 3.061 1.00 17.92 C ATOM 175 CE LYS A 11 -7.428 -11.151 1.605 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.550 -11.024 0.711 1.00 21.93 N ATOM 0 H LYS A 11 -7.324 -9.510 7.749 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.885 -11.673 6.731 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.950 -10.924 5.639 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.285 -9.332 5.332 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.729 -10.242 3.683 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.218 -11.880 4.066 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.626 -11.312 3.430 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.140 -9.671 3.052 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.599 -10.545 1.238 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.086 -12.186 1.616 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.206 -10.925 -0.266 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.149 -11.871 0.783 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.106 -10.184 0.969 1.00 21.93 H new ATOM 190 N THR A 12 -3.693 -10.788 5.652 1.00 9.63 N ATOM 191 CA THR A 12 -2.431 -10.224 5.278 1.00 9.85 C ATOM 192 C THR A 12 -2.232 -10.805 3.944 1.00 11.66 C ATOM 193 O THR A 12 -2.402 -11.988 3.758 1.00 12.33 O ATOM 194 CB THR A 12 -1.207 -10.734 6.099 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.347 -10.471 7.532 1.00 10.91 O ATOM 196 CG2 THR A 12 0.075 -10.023 5.746 1.00 9.63 C ATOM 0 H THR A 12 -3.752 -11.802 5.559 1.00 9.63 H new ATOM 0 HA THR A 12 -2.469 -9.141 5.395 1.00 9.85 H new ATOM 0 HB THR A 12 -1.174 -11.797 5.861 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.170 -11.294 8.034 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.890 -10.421 6.350 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.297 -10.176 4.690 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.034 -8.956 5.942 1.00 9.63 H new ATOM 204 N ILE A 13 -1.920 -10.043 2.910 1.00 10.42 N ATOM 205 CA ILE A 13 -1.597 -10.536 1.563 1.00 11.84 C ATOM 206 C ILE A 13 -0.111 -10.258 1.229 1.00 10.55 C ATOM 207 O ILE A 13 0.502 -9.322 1.726 1.00 11.92 O ATOM 208 CB ILE A 13 -2.418 -9.863 0.534 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.412 -8.291 0.666 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.815 -10.512 0.824 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.408 -7.628 -0.292 1.00 16.46 C ATOM 0 H ILE A 13 -1.880 -9.026 2.978 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.801 -11.607 1.558 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.066 -9.998 -0.489 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.656 -8.013 1.691 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.409 -7.914 0.463 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.554 -10.111 0.130 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.748 -11.592 0.697 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.116 -10.285 1.847 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.369 -6.546 -0.166 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.149 -7.883 -1.320 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.415 -7.983 -0.073 1.00 16.46 H new ATOM 223 N THR A 14 0.532 -11.137 0.445 1.00 9.39 N ATOM 224 CA THR A 14 1.893 -11.138 -0.001 1.00 9.63 C ATOM 225 C THR A 14 1.949 -10.542 -1.401 1.00 11.20 C ATOM 226 O THR A 14 1.375 -11.070 -2.342 1.00 11.63 O ATOM 227 CB THR A 14 2.515 -12.486 -0.095 1.00 10.38 C ATOM 228 OG1 THR A 14 2.328 -13.118 1.162 1.00 16.30 O ATOM 229 CG2 THR A 14 4.010 -12.452 -0.335 1.00 11.66 C ATOM 0 H THR A 14 0.034 -11.948 0.079 1.00 9.39 H new ATOM 0 HA THR A 14 2.444 -10.566 0.746 1.00 9.63 H new ATOM 0 HB THR A 14 2.050 -13.000 -0.936 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.725 -14.014 1.140 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.393 -13.471 -0.392 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.216 -11.934 -1.272 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.498 -11.926 0.486 1.00 11.66 H new ATOM 237 N LEU A 15 2.615 -9.379 -1.568 1.00 8.29 N ATOM 238 CA LEU A 15 2.776 -8.728 -2.896 1.00 9.03 C ATOM 239 C LEU A 15 4.259 -8.912 -3.240 1.00 8.59 C ATOM 240 O LEU A 15 5.073 -9.212 -2.368 1.00 7.79 O ATOM 241 CB LEU A 15 2.383 -7.202 -2.868 1.00 11.08 C ATOM 242 CG LEU A 15 1.017 -6.734 -2.323 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.979 -5.269 -2.552 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.180 -7.378 -2.963 1.00 15.27 C ATOM 0 H LEU A 15 3.052 -8.867 -0.801 1.00 8.29 H new ATOM 0 HA LEU A 15 2.115 -9.173 -3.640 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.149 -6.687 -2.288 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.459 -6.836 -3.892 1.00 11.08 H new ATOM 0 HG LEU A 15 0.947 -7.021 -1.274 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.033 -4.868 -2.188 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.803 -4.796 -2.018 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.073 -5.065 -3.619 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.090 -6.983 -2.512 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.181 -7.162 -4.031 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.138 -8.456 -2.811 1.00 15.27 H new ATOM 256 N GLU A 16 4.538 -8.706 -4.512 1.00 11.04 N ATOM 257 CA GLU A 16 5.887 -8.565 -5.139 1.00 11.50 C ATOM 258 C GLU A 16 5.916 -7.200 -5.795 1.00 10.13 C ATOM 259 O GLU A 16 5.125 -6.927 -6.705 1.00 9.83 O ATOM 260 CB GLU A 16 5.979 -9.667 -6.210 1.00 17.22 C ATOM 261 CG GLU A 16 7.371 -9.728 -6.889 1.00 23.33 C ATOM 262 CD GLU A 16 8.523 -10.286 -5.986 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.407 -11.348 -5.392 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.534 -9.578 -5.946 1.00 28.90 O ATOM 0 H GLU A 16 3.793 -8.623 -5.204 1.00 11.04 H new ATOM 0 HA GLU A 16 6.710 -8.656 -4.430 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.760 -10.632 -5.752 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.216 -9.494 -6.969 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.296 -10.349 -7.782 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.642 -8.725 -7.220 1.00 23.33 H new ATOM 271 N VAL A 17 6.812 -6.257 -5.447 1.00 8.99 N ATOM 272 CA VAL A 17 6.810 -4.844 -5.786 1.00 8.85 C ATOM 273 C VAL A 17 8.259 -4.420 -6.055 1.00 8.04 C ATOM 274 O VAL A 17 9.156 -5.244 -5.925 1.00 8.99 O ATOM 275 CB VAL A 17 6.152 -3.924 -4.708 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.752 -4.359 -4.423 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.020 -3.869 -3.423 1.00 10.54 C ATOM 0 H VAL A 17 7.620 -6.498 -4.873 1.00 8.99 H new ATOM 0 HA VAL A 17 6.188 -4.717 -6.672 1.00 8.85 H new ATOM 0 HB VAL A 17 6.100 -2.910 -5.103 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.314 -3.704 -3.670 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.161 -4.306 -5.338 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.758 -5.384 -4.053 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.541 -3.222 -2.688 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.124 -4.873 -3.011 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.006 -3.473 -3.667 1.00 10.54 H new ATOM 287 N GLU A 18 8.544 -3.122 -6.382 1.00 7.29 N ATOM 288 CA GLU A 18 9.878 -2.661 -6.565 1.00 7.08 C ATOM 289 C GLU A 18 10.102 -1.366 -5.776 1.00 6.45 C ATOM 290 O GLU A 18 9.148 -0.685 -5.474 1.00 5.28 O ATOM 291 CB GLU A 18 10.191 -2.343 -8.100 1.00 10.28 C ATOM 292 CG GLU A 18 9.761 -3.486 -9.086 1.00 12.65 C ATOM 293 CD GLU A 18 10.325 -3.234 -10.477 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.563 -3.452 -10.666 1.00 18.17 O ATOM 295 OE2 GLU A 18 9.567 -2.777 -11.397 1.00 14.33 O ATOM 0 H GLU A 18 7.832 -2.404 -6.516 1.00 7.29 H new ATOM 0 HA GLU A 18 10.536 -3.456 -6.215 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.680 -1.422 -8.382 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.260 -2.162 -8.213 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.114 -4.447 -8.713 1.00 12.65 H new ATOM 0 HG3 GLU A 18 8.674 -3.543 -9.133 1.00 12.65 H new ATOM 302 N PRO A 19 11.334 -0.909 -5.463 1.00 7.24 N ATOM 303 CA PRO A 19 11.471 0.192 -4.508 1.00 7.07 C ATOM 304 C PRO A 19 11.123 1.513 -5.052 1.00 6.65 C ATOM 305 O PRO A 19 10.757 2.421 -4.314 1.00 6.37 O ATOM 306 CB PRO A 19 12.931 0.041 -4.074 1.00 7.61 C ATOM 307 CG PRO A 19 13.655 -0.700 -5.213 1.00 8.16 C ATOM 308 CD PRO A 19 12.540 -1.636 -5.698 1.00 7.49 C ATOM 0 HA PRO A 19 10.769 0.138 -3.676 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.385 1.016 -3.896 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.002 -0.519 -3.141 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.996 -0.023 -5.996 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.530 -1.246 -4.861 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.657 -1.879 -6.754 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.548 -2.579 -5.151 1.00 7.49 H new ATOM 316 N SER A 20 11.278 1.797 -6.409 1.00 6.80 N ATOM 317 CA SER A 20 10.996 3.140 -6.925 1.00 6.28 C ATOM 318 C SER A 20 9.525 3.330 -7.342 1.00 8.45 C ATOM 319 O SER A 20 9.084 4.416 -7.783 1.00 7.26 O ATOM 320 CB SER A 20 11.880 3.579 -8.137 1.00 8.57 C ATOM 321 OG SER A 20 13.244 3.674 -7.695 1.00 11.13 O ATOM 0 H SER A 20 11.585 1.122 -7.110 1.00 6.80 H new ATOM 0 HA SER A 20 11.239 3.771 -6.070 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.794 2.857 -8.949 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.540 4.539 -8.526 1.00 8.57 H new ATOM 0 HG SER A 20 13.813 3.947 -8.445 1.00 11.13 H new ATOM 327 N ASP A 21 8.679 2.300 -7.271 1.00 7.50 N ATOM 328 CA ASP A 21 7.268 2.356 -7.532 1.00 7.70 C ATOM 329 C ASP A 21 6.607 3.366 -6.634 1.00 7.08 C ATOM 330 O ASP A 21 7.062 3.581 -5.528 1.00 8.11 O ATOM 331 CB ASP A 21 6.638 1.091 -7.308 1.00 11.00 C ATOM 332 CG ASP A 21 7.164 -0.018 -8.221 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.727 0.329 -9.298 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.918 -1.203 -7.927 1.00 14.36 O ATOM 0 H ASP A 21 8.991 1.363 -7.015 1.00 7.50 H new ATOM 0 HA ASP A 21 7.153 2.638 -8.579 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.787 0.798 -6.269 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.564 1.197 -7.458 1.00 11.00 H new ATOM 339 N THR A 22 5.462 3.941 -7.001 1.00 5.37 N ATOM 340 CA THR A 22 4.728 4.845 -6.103 1.00 6.01 C ATOM 341 C THR A 22 3.711 4.080 -5.377 1.00 8.01 C ATOM 342 O THR A 22 3.370 2.968 -5.773 1.00 8.11 O ATOM 343 CB THR A 22 4.118 6.147 -6.796 1.00 8.92 C ATOM 344 OG1 THR A 22 3.176 5.951 -7.855 1.00 10.22 O ATOM 345 CG2 THR A 22 5.300 6.963 -7.321 1.00 9.65 C ATOM 0 H THR A 22 5.020 3.800 -7.910 1.00 5.37 H new ATOM 0 HA THR A 22 5.460 5.252 -5.406 1.00 6.01 H new ATOM 0 HB THR A 22 3.529 6.644 -6.026 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.326 5.075 -8.269 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.931 7.867 -7.805 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.951 7.236 -6.491 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.861 6.368 -8.042 1.00 9.65 H new ATOM 353 N ILE A 23 3.176 4.652 -4.272 1.00 8.32 N ATOM 354 CA ILE A 23 2.112 4.077 -3.481 1.00 9.92 C ATOM 355 C ILE A 23 0.769 3.909 -4.344 1.00 10.01 C ATOM 356 O ILE A 23 0.047 2.913 -4.183 1.00 8.71 O ATOM 357 CB ILE A 23 1.885 4.861 -2.177 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.250 5.117 -1.449 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.859 4.162 -1.256 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.029 3.911 -0.962 1.00 12.30 C ATOM 0 H ILE A 23 3.496 5.552 -3.913 1.00 8.32 H new ATOM 0 HA ILE A 23 2.422 3.075 -3.185 1.00 9.92 H new ATOM 0 HB ILE A 23 1.455 5.829 -2.435 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.892 5.678 -2.128 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.056 5.759 -0.590 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.728 4.748 -0.346 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.096 4.077 -1.774 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.221 3.167 -0.997 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.949 4.242 -0.480 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.425 3.352 -0.247 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.274 3.270 -1.809 1.00 12.30 H new ATOM 372 N GLU A 24 0.566 4.832 -5.328 1.00 9.54 N ATOM 373 CA GLU A 24 -0.538 4.626 -6.247 1.00 11.81 C ATOM 374 C GLU A 24 -0.427 3.380 -7.136 1.00 11.14 C ATOM 375 O GLU A 24 -1.392 2.690 -7.381 1.00 10.62 O ATOM 376 CB GLU A 24 -0.632 5.862 -7.194 1.00 19.24 C ATOM 377 CG GLU A 24 -1.840 5.905 -8.176 1.00 27.76 C ATOM 378 CD GLU A 24 -1.786 7.135 -9.018 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.024 8.268 -8.527 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.461 7.078 -10.191 1.00 34.80 O ATOM 0 H GLU A 24 1.127 5.670 -5.483 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.417 4.487 -5.618 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.663 6.760 -6.578 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.285 5.910 -7.781 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.830 5.021 -8.813 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.774 5.883 -7.614 1.00 27.76 H new ATOM 387 N ASN A 25 0.841 3.030 -7.513 1.00 9.43 N ATOM 388 CA ASN A 25 1.146 1.739 -8.246 1.00 10.96 C ATOM 389 C ASN A 25 0.950 0.495 -7.384 1.00 9.68 C ATOM 390 O ASN A 25 0.515 -0.559 -7.787 1.00 9.33 O ATOM 391 CB ASN A 25 2.624 1.764 -8.687 1.00 16.78 C ATOM 392 CG ASN A 25 2.950 2.802 -9.670 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.626 3.832 -9.345 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.711 2.557 -10.978 1.00 24.70 N ATOM 0 H ASN A 25 1.662 3.607 -7.330 1.00 9.43 H new ATOM 0 HA ASN A 25 0.454 1.681 -9.086 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.250 1.907 -7.806 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.881 0.791 -9.106 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.070 3.193 -11.690 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.171 1.736 -11.253 1.00 24.70 H new ATOM 401 N VAL A 26 1.189 0.653 -6.089 1.00 6.52 N ATOM 402 CA VAL A 26 0.911 -0.335 -5.073 1.00 5.53 C ATOM 403 C VAL A 26 -0.544 -0.469 -4.853 1.00 4.42 C ATOM 404 O VAL A 26 -0.969 -1.608 -4.744 1.00 3.40 O ATOM 405 CB VAL A 26 1.628 -0.017 -3.719 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.399 -1.205 -2.744 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.106 0.281 -3.918 1.00 8.12 C ATOM 0 H VAL A 26 1.597 1.508 -5.710 1.00 6.52 H new ATOM 0 HA VAL A 26 1.308 -1.281 -5.442 1.00 5.53 H new ATOM 0 HB VAL A 26 1.199 0.887 -3.287 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.893 -0.997 -1.795 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.330 -1.336 -2.575 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.812 -2.116 -3.177 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.567 0.497 -2.954 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.594 -0.583 -4.368 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.218 1.144 -4.575 1.00 8.12 H new ATOM 417 N LYS A 27 -1.362 0.609 -4.922 1.00 2.64 N ATOM 418 CA LYS A 27 -2.822 0.478 -4.936 1.00 4.14 C ATOM 419 C LYS A 27 -3.393 -0.338 -6.141 1.00 5.58 C ATOM 420 O LYS A 27 -4.207 -1.253 -6.011 1.00 4.11 O ATOM 421 CB LYS A 27 -3.574 1.876 -4.871 1.00 3.97 C ATOM 422 CG LYS A 27 -3.236 2.837 -3.740 1.00 7.45 C ATOM 423 CD LYS A 27 -3.857 4.177 -3.614 1.00 9.02 C ATOM 424 CE LYS A 27 -3.237 5.048 -2.512 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.139 6.199 -2.243 1.00 15.47 N ATOM 0 H LYS A 27 -1.028 1.572 -4.968 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.021 -0.087 -4.026 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.389 2.395 -5.812 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.644 1.674 -4.824 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.446 2.309 -2.810 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.158 2.996 -3.779 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.770 4.698 -4.567 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.921 4.056 -3.412 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.093 4.462 -1.604 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.254 5.404 -2.821 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.604 6.956 -1.771 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.525 6.555 -3.141 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.920 5.892 -1.628 1.00 15.47 H new ATOM 439 N ALA A 28 -2.865 -0.098 -7.337 1.00 6.61 N ATOM 440 CA ALA A 28 -3.204 -0.786 -8.578 1.00 7.74 C ATOM 441 C ALA A 28 -2.832 -2.252 -8.578 1.00 9.17 C ATOM 442 O ALA A 28 -3.471 -3.088 -9.164 1.00 11.45 O ATOM 443 CB ALA A 28 -2.572 -0.022 -9.809 1.00 7.68 C ATOM 0 H ALA A 28 -2.152 0.619 -7.474 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.290 -0.768 -8.667 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.830 -0.542 -10.731 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.962 0.995 -9.845 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.488 0.009 -9.701 1.00 7.68 H new ATOM 449 N LYS A 29 -1.701 -2.604 -7.979 1.00 8.96 N ATOM 450 CA LYS A 29 -1.222 -3.955 -7.792 1.00 7.90 C ATOM 451 C LYS A 29 -2.114 -4.755 -6.871 1.00 6.92 C ATOM 452 O LYS A 29 -2.543 -5.886 -7.188 1.00 6.87 O ATOM 453 CB LYS A 29 0.271 -4.027 -7.371 1.00 10.28 C ATOM 454 CG LYS A 29 0.914 -5.374 -7.096 1.00 14.94 C ATOM 455 CD LYS A 29 2.422 -5.290 -7.377 1.00 19.69 C ATOM 456 CE LYS A 29 2.891 -5.564 -8.794 1.00 22.63 C ATOM 457 NZ LYS A 29 4.354 -5.500 -9.021 1.00 24.98 N ATOM 0 H LYS A 29 -1.062 -1.910 -7.591 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.274 -4.424 -8.774 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.853 -3.543 -8.155 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.384 -3.423 -6.471 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.742 -5.666 -6.060 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.459 -6.141 -7.723 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.760 -4.292 -7.099 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.926 -5.994 -6.715 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.542 -6.555 -9.085 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.409 -4.848 -9.459 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.585 -5.958 -9.926 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.658 -4.506 -9.048 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.847 -5.992 -8.248 1.00 24.98 H new ATOM 471 N ILE A 30 -2.609 -4.148 -5.752 1.00 4.57 N ATOM 472 CA ILE A 30 -3.658 -4.655 -4.903 1.00 5.58 C ATOM 473 C ILE A 30 -4.985 -4.807 -5.598 1.00 7.26 C ATOM 474 O ILE A 30 -5.682 -5.817 -5.337 1.00 9.46 O ATOM 475 CB ILE A 30 -3.721 -3.911 -3.524 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.345 -3.921 -2.773 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.776 -4.577 -2.613 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.446 -3.463 -1.359 1.00 2.00 C ATOM 0 H ILE A 30 -2.250 -3.250 -5.428 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.384 -5.682 -4.661 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.988 -2.876 -3.739 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.935 -4.931 -2.793 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.642 -3.281 -3.306 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.813 -4.054 -1.657 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.754 -4.528 -3.092 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.506 -5.620 -2.446 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.460 -3.493 -0.895 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.828 -2.442 -1.334 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.124 -4.118 -0.812 1.00 2.00 H new ATOM 490 N GLN A 31 -5.405 -3.825 -6.421 1.00 7.06 N ATOM 491 CA GLN A 31 -6.585 -3.969 -7.258 1.00 8.67 C ATOM 492 C GLN A 31 -6.405 -5.223 -8.126 1.00 10.90 C ATOM 493 O GLN A 31 -7.308 -6.028 -8.227 1.00 9.63 O ATOM 494 CB GLN A 31 -6.865 -2.762 -8.212 1.00 9.12 C ATOM 495 CG GLN A 31 -8.141 -2.837 -8.997 1.00 10.76 C ATOM 496 CD GLN A 31 -8.222 -1.670 -10.021 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.398 -0.765 -10.072 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.380 -1.645 -10.737 1.00 14.76 N ATOM 0 H GLN A 31 -4.934 -2.925 -6.515 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.435 -4.031 -6.578 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.878 -1.848 -7.618 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.034 -2.675 -8.912 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.197 -3.792 -9.520 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.994 -2.794 -8.320 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.040 -2.419 -10.666 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.587 -0.852 -11.344 1.00 14.76 H new ATOM 507 N ASP A 32 -5.207 -5.535 -8.674 1.00 10.93 N ATOM 508 CA ASP A 32 -4.945 -6.667 -9.493 1.00 14.01 C ATOM 509 C ASP A 32 -5.087 -8.047 -8.740 1.00 14.04 C ATOM 510 O ASP A 32 -5.785 -8.979 -9.190 1.00 13.39 O ATOM 511 CB ASP A 32 -3.546 -6.482 -10.168 1.00 18.01 C ATOM 512 CG ASP A 32 -3.513 -6.996 -11.584 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.068 -6.189 -12.447 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.995 -8.121 -11.959 1.00 26.29 O ATOM 0 H ASP A 32 -4.380 -4.956 -8.530 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.714 -6.717 -10.264 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.281 -5.425 -10.163 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.791 -7.002 -9.579 1.00 18.01 H new ATOM 519 N LYS A 33 -4.388 -8.138 -7.587 1.00 14.22 N ATOM 520 CA LYS A 33 -4.348 -9.368 -6.845 1.00 14.00 C ATOM 521 C LYS A 33 -5.694 -9.768 -6.226 1.00 12.37 C ATOM 522 O LYS A 33 -6.270 -10.826 -6.523 1.00 12.17 O ATOM 523 CB LYS A 33 -3.255 -9.400 -5.781 1.00 18.62 C ATOM 524 CG LYS A 33 -3.119 -10.653 -4.901 1.00 24.00 C ATOM 525 CD LYS A 33 -1.695 -10.795 -4.259 1.00 27.61 C ATOM 526 CE LYS A 33 -0.530 -11.085 -5.166 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.655 -12.353 -5.884 1.00 30.06 N ATOM 0 H LYS A 33 -3.858 -7.371 -7.173 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.104 -10.113 -7.603 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.300 -9.243 -6.283 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.412 -8.547 -5.120 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.867 -10.618 -4.109 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.331 -11.538 -5.501 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.478 -9.871 -3.724 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.743 -11.590 -3.515 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.431 -10.275 -5.889 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.386 -11.099 -4.576 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.179 -12.492 -6.490 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.720 -13.134 -5.200 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.512 -12.336 -6.473 1.00 30.06 H new ATOM 541 N GLU A 34 -6.379 -8.886 -5.503 1.00 10.11 N ATOM 542 CA GLU A 34 -7.598 -9.174 -4.833 1.00 10.07 C ATOM 543 C GLU A 34 -8.766 -8.405 -5.340 1.00 9.32 C ATOM 544 O GLU A 34 -9.896 -8.677 -4.945 1.00 11.61 O ATOM 545 CB GLU A 34 -7.371 -8.748 -3.349 1.00 14.77 C ATOM 546 CG GLU A 34 -6.327 -9.525 -2.524 1.00 18.75 C ATOM 547 CD GLU A 34 -6.659 -10.965 -2.373 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.777 -11.225 -1.857 1.00 21.95 O ATOM 549 OE2 GLU A 34 -5.868 -11.881 -2.657 1.00 25.19 O ATOM 0 H GLU A 34 -6.071 -7.922 -5.377 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.830 -10.229 -4.980 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.085 -7.696 -3.344 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.327 -8.821 -2.831 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.352 -9.431 -3.002 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.243 -9.072 -1.536 1.00 18.75 H new ATOM 556 N GLY A 35 -8.676 -7.448 -6.331 1.00 7.22 N ATOM 557 CA GLY A 35 -9.850 -6.610 -6.738 1.00 6.29 C ATOM 558 C GLY A 35 -10.186 -5.483 -5.886 1.00 6.93 C ATOM 559 O GLY A 35 -11.240 -4.887 -6.116 1.00 7.41 O ATOM 0 H GLY A 35 -7.820 -7.247 -6.847 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.663 -6.231 -7.742 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.723 -7.259 -6.800 1.00 6.29 H new ATOM 563 N ILE A 36 -9.413 -5.156 -4.875 1.00 5.86 N ATOM 564 CA ILE A 36 -9.685 -3.999 -4.045 1.00 6.07 C ATOM 565 C ILE A 36 -9.732 -2.619 -4.773 1.00 6.36 C ATOM 566 O ILE A 36 -8.770 -2.313 -5.378 1.00 6.18 O ATOM 567 CB ILE A 36 -8.805 -4.000 -2.789 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.150 -5.239 -1.944 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.086 -2.719 -1.983 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.168 -5.434 -0.764 1.00 9.49 C ATOM 0 H ILE A 36 -8.581 -5.680 -4.604 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.722 -4.120 -3.733 1.00 6.07 H new ATOM 0 HB ILE A 36 -7.750 -4.030 -3.062 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.165 -5.142 -1.558 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.134 -6.125 -2.578 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.465 -2.709 -1.087 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -8.855 -1.847 -2.594 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.137 -2.693 -1.696 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.452 -6.320 -0.197 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.156 -5.559 -1.150 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.203 -4.560 -0.113 1.00 9.49 H new ATOM 582 N PRO A 37 -10.782 -1.784 -4.702 1.00 8.65 N ATOM 583 CA PRO A 37 -10.898 -0.482 -5.393 1.00 9.18 C ATOM 584 C PRO A 37 -9.800 0.514 -5.104 1.00 9.85 C ATOM 585 O PRO A 37 -9.603 0.766 -3.915 1.00 8.51 O ATOM 586 CB PRO A 37 -12.254 0.009 -4.941 1.00 11.42 C ATOM 587 CG PRO A 37 -13.074 -1.214 -4.631 1.00 9.27 C ATOM 588 CD PRO A 37 -12.043 -2.220 -4.164 1.00 8.33 C ATOM 0 HA PRO A 37 -10.795 -0.599 -6.472 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.162 0.646 -4.062 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.729 0.606 -5.719 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.818 -1.014 -3.860 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.613 -1.569 -5.509 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.007 -2.264 -3.075 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.290 -3.222 -4.515 1.00 8.33 H new ATOM 596 N PRO A 38 -9.064 1.116 -6.052 1.00 8.71 N ATOM 597 CA PRO A 38 -7.882 1.863 -5.791 1.00 9.08 C ATOM 598 C PRO A 38 -8.343 3.112 -5.064 1.00 9.28 C ATOM 599 O PRO A 38 -7.582 3.697 -4.260 1.00 6.50 O ATOM 600 CB PRO A 38 -7.182 2.181 -7.094 1.00 10.31 C ATOM 601 CG PRO A 38 -8.326 2.092 -8.074 1.00 10.81 C ATOM 602 CD PRO A 38 -9.133 0.935 -7.490 1.00 12.00 C ATOM 0 HA PRO A 38 -7.160 1.317 -5.184 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.725 3.171 -7.084 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -6.390 1.467 -7.320 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.903 3.015 -8.116 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.983 1.884 -9.088 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -10.165 0.957 -7.841 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.715 -0.027 -7.787 1.00 12.00 H new ATOM 610 N ASP A 39 -9.619 3.641 -5.180 1.00 11.20 N ATOM 611 CA ASP A 39 -10.051 4.908 -4.600 1.00 14.96 C ATOM 612 C ASP A 39 -10.326 4.684 -3.135 1.00 13.99 C ATOM 613 O ASP A 39 -10.158 5.616 -2.325 1.00 13.75 O ATOM 614 CB ASP A 39 -11.284 5.552 -5.310 1.00 24.16 C ATOM 615 CG ASP A 39 -10.893 5.750 -6.782 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.980 6.563 -7.014 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.577 5.207 -7.682 1.00 35.55 O ATOM 0 H ASP A 39 -10.361 3.166 -5.693 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.246 5.629 -4.743 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -12.159 4.908 -5.225 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.543 6.504 -4.847 1.00 24.16 H new ATOM 622 N GLN A 40 -10.696 3.456 -2.636 1.00 11.60 N ATOM 623 CA GLN A 40 -10.794 3.276 -1.178 1.00 10.76 C ATOM 624 C GLN A 40 -9.402 3.151 -0.501 1.00 8.01 C ATOM 625 O GLN A 40 -9.252 3.430 0.687 1.00 8.96 O ATOM 626 CB GLN A 40 -11.698 2.132 -0.805 1.00 11.14 C ATOM 627 CG GLN A 40 -12.958 1.926 -1.702 1.00 14.85 C ATOM 628 CD GLN A 40 -13.685 0.621 -1.270 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.092 -0.403 -0.999 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.048 0.681 -1.262 1.00 18.16 N ATOM 0 H GLN A 40 -10.915 2.634 -3.198 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.253 4.185 -0.790 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.112 1.213 -0.822 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.030 2.279 0.223 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.630 2.779 -1.608 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.667 1.864 -2.751 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.521 1.554 -1.494 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.594 -0.147 -1.024 1.00 18.16 H new ATOM 639 N GLN A 41 -8.385 2.788 -1.262 1.00 6.52 N ATOM 640 CA GLN A 41 -7.050 2.485 -0.686 1.00 3.87 C ATOM 641 C GLN A 41 -6.291 3.626 0.075 1.00 4.79 C ATOM 642 O GLN A 41 -5.864 4.658 -0.521 1.00 6.34 O ATOM 643 CB GLN A 41 -6.210 1.710 -1.728 1.00 4.20 C ATOM 644 CG GLN A 41 -6.843 0.328 -1.988 1.00 3.20 C ATOM 645 CD GLN A 41 -5.972 -0.551 -2.902 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.852 -0.882 -2.529 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.523 -1.043 -4.074 1.00 7.13 N ATOM 0 H GLN A 41 -8.438 2.691 -2.276 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.242 1.842 0.173 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.156 2.276 -2.658 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.188 1.590 -1.368 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.998 -0.182 -1.038 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.825 0.460 -2.443 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.457 -0.751 -4.360 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.994 -1.698 -4.650 1.00 7.13 H new ATOM 656 N ARG A 42 -6.014 3.420 1.390 1.00 5.73 N ATOM 657 CA ARG A 42 -5.166 4.265 2.245 1.00 6.97 C ATOM 658 C ARG A 42 -4.075 3.251 2.761 1.00 7.15 C ATOM 659 O ARG A 42 -4.245 2.022 2.785 1.00 7.33 O ATOM 660 CB ARG A 42 -5.939 4.973 3.364 1.00 13.23 C ATOM 661 CG ARG A 42 -6.619 6.272 2.943 1.00 21.27 C ATOM 662 CD ARG A 42 -7.245 6.971 4.168 1.00 26.14 C ATOM 663 NE ARG A 42 -7.719 8.268 3.665 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.544 9.117 4.245 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.090 9.055 5.457 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.821 10.269 3.622 1.00 36.39 N ATOM 0 H ARG A 42 -6.397 2.622 1.897 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.731 5.111 1.712 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.696 4.291 3.752 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.252 5.187 4.183 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.893 6.933 2.470 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.390 6.063 2.202 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.065 6.384 4.581 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.513 7.100 4.965 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.364 8.547 2.750 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.881 8.267 6.071 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.717 9.795 5.772 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.397 10.475 2.718 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.457 10.941 4.052 1.00 36.39 H new ATOM 680 N LEU A 43 -2.938 3.783 3.095 1.00 4.65 N ATOM 681 CA LEU A 43 -1.769 2.924 3.321 1.00 3.51 C ATOM 682 C LEU A 43 -0.914 3.519 4.424 1.00 5.56 C ATOM 683 O LEU A 43 -0.485 4.655 4.399 1.00 4.19 O ATOM 684 CB LEU A 43 -0.932 2.564 2.050 1.00 3.74 C ATOM 685 CG LEU A 43 -0.139 1.265 2.109 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.979 -0.043 2.188 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.659 1.104 0.843 1.00 6.41 C ATOM 0 H LEU A 43 -2.775 4.782 3.220 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.161 1.956 3.632 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.609 2.513 1.198 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.237 3.381 1.856 1.00 3.74 H new ATOM 0 HG LEU A 43 0.446 1.369 3.023 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.310 -0.903 2.225 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.597 -0.025 3.086 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.618 -0.118 1.308 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.226 0.174 0.886 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.017 1.078 -0.012 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.346 1.943 0.737 1.00 6.41 H new ATOM 699 N ILE A 44 -0.550 2.754 5.498 1.00 4.58 N ATOM 700 CA ILE A 44 0.097 3.174 6.692 1.00 5.55 C ATOM 701 C ILE A 44 1.403 2.462 6.956 1.00 5.46 C ATOM 702 O ILE A 44 1.394 1.227 7.065 1.00 6.04 O ATOM 703 CB ILE A 44 -0.715 3.085 7.957 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.244 3.355 7.726 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.137 3.989 9.122 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.687 4.727 7.286 1.00 13.90 C ATOM 0 H ILE A 44 -0.736 1.751 5.509 1.00 4.58 H new ATOM 0 HA ILE A 44 0.263 4.228 6.469 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.625 2.049 8.282 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.595 2.641 6.980 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.763 3.125 8.657 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.763 3.884 10.008 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.880 3.674 9.357 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.130 5.032 8.804 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.771 4.741 7.173 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.391 5.462 8.034 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.220 4.972 6.332 1.00 13.90 H new ATOM 718 N PHE A 45 2.518 3.150 7.078 1.00 6.75 N ATOM 719 CA PHE A 45 3.767 2.580 7.530 1.00 4.70 C ATOM 720 C PHE A 45 4.533 3.524 8.414 1.00 6.34 C ATOM 721 O PHE A 45 4.526 4.692 8.152 1.00 5.45 O ATOM 722 CB PHE A 45 4.611 2.068 6.294 1.00 5.51 C ATOM 723 CG PHE A 45 5.947 1.492 6.615 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.100 0.314 7.326 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.062 2.323 6.443 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.334 -0.220 7.639 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.301 1.851 6.788 1.00 6.64 C ATOM 728 CZ PHE A 45 8.463 0.617 7.473 1.00 6.84 C ATOM 0 H PHE A 45 2.582 4.144 6.860 1.00 6.75 H new ATOM 0 HA PHE A 45 3.545 1.716 8.156 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.028 1.313 5.768 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.751 2.900 5.604 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.214 -0.211 7.651 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.946 3.320 6.045 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.434 -1.234 7.996 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.176 2.431 6.533 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.428 0.324 7.859 1.00 6.84 H new ATOM 738 N ALA A 46 5.250 3.119 9.520 1.00 6.53 N ATOM 739 CA ALA A 46 5.942 3.882 10.436 1.00 7.15 C ATOM 740 C ALA A 46 5.249 4.965 11.167 1.00 9.00 C ATOM 741 O ALA A 46 5.852 5.957 11.563 1.00 11.15 O ATOM 742 CB ALA A 46 7.180 4.455 9.772 1.00 8.99 C ATOM 0 H ALA A 46 5.318 2.127 9.750 1.00 6.53 H new ATOM 0 HA ALA A 46 6.143 3.159 11.226 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.732 5.060 10.492 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.814 3.641 9.420 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.885 5.076 8.927 1.00 8.99 H new ATOM 748 N GLY A 47 3.931 4.806 11.376 1.00 9.35 N ATOM 749 CA GLY A 47 3.064 5.785 12.036 1.00 11.68 C ATOM 750 C GLY A 47 2.591 6.821 11.062 1.00 11.14 C ATOM 751 O GLY A 47 1.872 7.749 11.428 1.00 13.93 O ATOM 0 H GLY A 47 3.430 3.968 11.081 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.207 5.278 12.479 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.606 6.266 12.851 1.00 11.68 H new ATOM 755 N LYS A 48 2.980 6.708 9.796 1.00 10.47 N ATOM 756 CA LYS A 48 2.628 7.660 8.774 1.00 8.82 C ATOM 757 C LYS A 48 1.738 7.078 7.716 1.00 7.68 C ATOM 758 O LYS A 48 1.976 5.998 7.150 1.00 6.47 O ATOM 759 CB LYS A 48 3.815 8.259 8.050 1.00 9.74 C ATOM 760 CG LYS A 48 4.873 8.930 8.927 1.00 14.14 C ATOM 761 CD LYS A 48 6.119 9.033 8.093 1.00 16.32 C ATOM 762 CE LYS A 48 7.347 9.548 8.844 1.00 20.04 C ATOM 763 NZ LYS A 48 8.447 9.633 7.845 1.00 23.92 N ATOM 0 H LYS A 48 3.557 5.938 9.457 1.00 10.47 H new ATOM 0 HA LYS A 48 2.111 8.437 9.337 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.298 7.470 7.473 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.445 8.995 7.336 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.540 9.916 9.250 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.057 8.345 9.828 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.347 8.050 7.681 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.922 9.694 7.249 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.150 10.524 9.288 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.614 8.875 9.659 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.311 9.981 8.308 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.625 8.690 7.444 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.175 10.288 7.084 1.00 23.92 H new ATOM 777 N GLN A 49 0.572 7.734 7.385 1.00 8.89 N ATOM 778 CA GLN A 49 -0.150 7.469 6.146 1.00 7.18 C ATOM 779 C GLN A 49 0.629 7.967 4.946 1.00 8.23 C ATOM 780 O GLN A 49 1.192 9.096 4.955 1.00 9.70 O ATOM 781 CB GLN A 49 -1.564 8.085 6.249 1.00 11.67 C ATOM 782 CG GLN A 49 -2.397 7.913 4.950 1.00 15.82 C ATOM 783 CD GLN A 49 -3.777 8.601 5.011 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.541 8.399 5.968 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.164 9.445 4.007 1.00 20.67 N ATOM 0 H GLN A 49 0.137 8.443 7.976 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.262 6.395 5.999 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.097 7.622 7.080 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.476 9.147 6.480 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.834 8.319 4.110 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.538 6.850 4.756 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.542 9.617 3.217 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.074 9.903 4.048 1.00 20.67 H new ATOM 794 N LEU A 50 0.832 7.074 3.962 1.00 6.51 N ATOM 795 CA LEU A 50 1.766 7.342 2.893 1.00 7.41 C ATOM 796 C LEU A 50 1.147 8.093 1.784 1.00 8.27 C ATOM 797 O LEU A 50 0.031 7.971 1.359 1.00 8.34 O ATOM 798 CB LEU A 50 2.399 6.037 2.368 1.00 7.13 C ATOM 799 CG LEU A 50 2.947 5.109 3.470 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.611 3.896 2.876 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.866 5.783 4.542 1.00 9.11 C ATOM 0 H LEU A 50 0.359 6.173 3.898 1.00 6.51 H new ATOM 0 HA LEU A 50 2.552 7.968 3.315 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.653 5.493 1.789 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.210 6.290 1.685 1.00 7.13 H new ATOM 0 HG LEU A 50 2.060 4.810 4.029 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.988 3.259 3.676 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.887 3.340 2.280 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.439 4.209 2.241 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.191 5.035 5.265 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.738 6.218 4.053 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.310 6.567 5.057 1.00 9.11 H new ATOM 813 N GLU A 51 1.908 9.107 1.315 1.00 9.43 N ATOM 814 CA GLU A 51 1.593 9.948 0.218 1.00 11.90 C ATOM 815 C GLU A 51 1.626 9.127 -1.114 1.00 11.49 C ATOM 816 O GLU A 51 2.566 8.376 -1.341 1.00 9.88 O ATOM 817 CB GLU A 51 2.503 11.180 0.099 1.00 16.56 C ATOM 818 CG GLU A 51 2.296 12.140 1.274 1.00 26.06 C ATOM 819 CD GLU A 51 3.326 13.266 1.194 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.463 14.020 0.231 1.00 32.13 O ATOM 821 OE2 GLU A 51 4.093 13.301 2.168 1.00 33.44 O ATOM 0 H GLU A 51 2.804 9.346 1.741 1.00 9.43 H new ATOM 0 HA GLU A 51 0.588 10.328 0.404 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.545 10.863 0.065 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.297 11.698 -0.837 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.287 12.552 1.248 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.398 11.605 2.218 1.00 26.06 H new ATOM 828 N ASP A 52 0.584 9.291 -1.980 1.00 12.71 N ATOM 829 CA ASP A 52 0.242 8.493 -3.124 1.00 16.56 C ATOM 830 C ASP A 52 1.368 8.516 -4.105 1.00 15.83 C ATOM 831 O ASP A 52 1.655 7.534 -4.768 1.00 17.21 O ATOM 832 CB ASP A 52 -1.119 8.971 -3.789 1.00 21.05 C ATOM 833 CG ASP A 52 -2.129 9.275 -2.784 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.660 8.410 -2.060 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.502 10.499 -2.634 1.00 28.37 O ATOM 0 H ASP A 52 -0.075 10.060 -1.856 1.00 12.71 H new ATOM 0 HA ASP A 52 0.083 7.466 -2.796 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.935 9.855 -4.400 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.491 8.194 -4.456 1.00 21.05 H new ATOM 840 N GLY A 53 1.964 9.687 -4.347 1.00 15.00 N ATOM 841 CA GLY A 53 2.914 9.895 -5.397 1.00 11.77 C ATOM 842 C GLY A 53 4.325 9.979 -4.970 1.00 11.10 C ATOM 843 O GLY A 53 5.200 10.458 -5.714 1.00 11.25 O ATOM 0 H GLY A 53 1.782 10.525 -3.794 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.818 9.082 -6.116 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.655 10.816 -5.920 1.00 11.77 H new ATOM 847 N ARG A 54 4.571 9.598 -3.771 1.00 8.53 N ATOM 848 CA ARG A 54 5.941 9.307 -3.266 1.00 9.05 C ATOM 849 C ARG A 54 6.164 7.817 -3.410 1.00 8.96 C ATOM 850 O ARG A 54 5.253 7.046 -3.761 1.00 11.60 O ATOM 851 CB ARG A 54 6.138 9.812 -1.835 1.00 7.97 C ATOM 852 CG ARG A 54 5.860 11.325 -1.617 1.00 9.62 C ATOM 853 CD ARG A 54 6.379 11.853 -0.301 1.00 12.20 C ATOM 854 NE ARG A 54 6.065 13.399 -0.319 1.00 18.23 N ATOM 855 CZ ARG A 54 6.838 14.434 -0.708 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.901 14.280 -1.452 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.352 15.632 -0.573 1.00 23.38 N ATOM 0 H ARG A 54 3.842 9.465 -3.070 1.00 8.53 H new ATOM 0 HA ARG A 54 6.691 9.841 -3.849 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.486 9.241 -1.174 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.163 9.601 -1.531 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.315 11.890 -2.430 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.785 11.499 -1.670 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.890 11.362 0.540 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.449 11.670 -0.198 1.00 12.20 H new ATOM 0 HE ARG A 54 5.136 13.655 0.014 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.176 13.348 -1.762 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.456 15.092 -1.722 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.418 15.763 -0.185 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.905 16.441 -0.855 1.00 23.38 H new ATOM 871 N THR A 55 7.389 7.352 -3.160 1.00 9.05 N ATOM 872 CA THR A 55 7.714 5.931 -3.283 1.00 9.03 C ATOM 873 C THR A 55 8.091 5.112 -2.019 1.00 8.15 C ATOM 874 O THR A 55 8.327 5.551 -0.903 1.00 5.91 O ATOM 875 CB THR A 55 8.903 5.790 -4.197 1.00 11.15 C ATOM 876 OG1 THR A 55 10.156 6.294 -3.637 1.00 11.95 O ATOM 877 CG2 THR A 55 8.832 6.580 -5.496 1.00 11.71 C ATOM 0 H THR A 55 8.172 7.939 -2.871 1.00 9.05 H new ATOM 0 HA THR A 55 6.764 5.520 -3.625 1.00 9.03 H new ATOM 0 HB THR A 55 8.879 4.711 -4.351 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.134 7.274 -3.616 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.738 6.406 -6.077 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.964 6.257 -6.071 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.743 7.643 -5.271 1.00 11.71 H new ATOM 885 N LEU A 56 8.320 3.755 -2.200 1.00 6.91 N ATOM 886 CA LEU A 56 8.917 2.874 -1.147 1.00 8.29 C ATOM 887 C LEU A 56 10.344 3.180 -0.638 1.00 8.05 C ATOM 888 O LEU A 56 10.635 3.236 0.552 1.00 10.17 O ATOM 889 CB LEU A 56 8.860 1.377 -1.602 1.00 6.60 C ATOM 890 CG LEU A 56 7.463 0.711 -1.858 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.657 1.184 -3.021 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.808 -0.759 -2.122 1.00 8.64 C ATOM 0 H LEU A 56 8.097 3.263 -3.065 1.00 6.91 H new ATOM 0 HA LEU A 56 8.285 3.094 -0.286 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.439 1.291 -2.522 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.373 0.784 -0.845 1.00 6.60 H new ATOM 0 HG LEU A 56 6.836 0.948 -0.999 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.720 0.629 -3.064 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.444 2.247 -2.908 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.217 1.022 -3.942 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.893 -1.319 -2.314 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.465 -0.829 -2.989 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.312 -1.177 -1.250 1.00 8.64 H new ATOM 904 N SER A 57 11.052 3.716 -1.668 1.00 8.92 N ATOM 905 CA SER A 57 12.390 4.272 -1.601 1.00 9.00 C ATOM 906 C SER A 57 12.447 5.496 -0.639 1.00 9.44 C ATOM 907 O SER A 57 13.471 5.596 0.042 1.00 10.91 O ATOM 908 CB SER A 57 12.992 4.731 -2.939 1.00 10.32 C ATOM 909 OG SER A 57 13.177 3.589 -3.779 1.00 13.59 O ATOM 0 H SER A 57 10.664 3.764 -2.610 1.00 8.92 H new ATOM 0 HA SER A 57 12.983 3.431 -1.242 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.332 5.451 -3.422 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.944 5.234 -2.771 1.00 10.32 H new ATOM 0 HG SER A 57 12.305 3.261 -4.082 1.00 13.59 H new ATOM 915 N ASP A 58 11.423 6.391 -0.666 1.00 9.11 N ATOM 916 CA ASP A 58 11.359 7.601 0.091 1.00 7.91 C ATOM 917 C ASP A 58 11.114 7.369 1.587 1.00 9.12 C ATOM 918 O ASP A 58 11.681 8.077 2.409 1.00 8.61 O ATOM 919 CB ASP A 58 10.202 8.500 -0.466 1.00 8.41 C ATOM 920 CG ASP A 58 10.519 9.048 -1.809 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.411 9.950 -1.889 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.864 8.675 -2.799 1.00 11.70 O ATOM 0 H ASP A 58 10.600 6.252 -1.252 1.00 9.11 H new ATOM 0 HA ASP A 58 12.330 8.085 -0.012 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.284 7.916 -0.521 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.016 9.322 0.226 1.00 8.41 H new ATOM 927 N TYR A 59 10.255 6.411 1.939 1.00 7.97 N ATOM 928 CA TYR A 59 9.820 6.043 3.270 1.00 8.45 C ATOM 929 C TYR A 59 10.804 5.005 3.890 1.00 10.98 C ATOM 930 O TYR A 59 10.905 4.832 5.136 1.00 12.95 O ATOM 931 CB TYR A 59 8.444 5.371 3.301 1.00 7.94 C ATOM 932 CG TYR A 59 7.406 6.436 2.919 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.199 7.462 3.868 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.613 6.371 1.735 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.309 8.437 3.573 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.690 7.327 1.495 1.00 6.52 C ATOM 937 CZ TYR A 59 5.555 8.399 2.383 1.00 6.76 C ATOM 938 OH TYR A 59 4.658 9.501 2.140 1.00 7.63 O ATOM 0 H TYR A 59 9.812 5.826 1.230 1.00 7.97 H new ATOM 0 HA TYR A 59 9.783 6.981 3.823 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.410 4.534 2.604 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.235 4.969 4.292 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.737 7.468 4.804 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.750 5.561 1.034 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.174 9.258 4.261 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.059 7.264 0.621 1.00 6.52 H new ATOM 0 HH TYR A 59 5.018 10.313 2.555 1.00 7.63 H new ATOM 948 N ASN A 60 11.629 4.404 3.063 1.00 12.38 N ATOM 949 CA ASN A 60 12.634 3.414 3.375 1.00 13.94 C ATOM 950 C ASN A 60 12.032 2.151 3.901 1.00 14.16 C ATOM 951 O ASN A 60 12.471 1.525 4.845 1.00 14.26 O ATOM 952 CB ASN A 60 13.801 3.890 4.257 1.00 19.23 C ATOM 953 CG ASN A 60 14.414 5.191 3.798 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.411 6.091 4.604 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.916 5.359 2.550 1.00 24.09 N ATOM 0 H ASN A 60 11.612 4.615 2.065 1.00 12.38 H new ATOM 0 HA ASN A 60 13.097 3.210 2.409 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.447 4.006 5.281 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.572 3.120 4.271 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.303 6.261 2.273 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.907 4.583 1.888 1.00 24.09 H new ATOM 962 N ILE A 61 10.994 1.701 3.126 1.00 11.08 N ATOM 963 CA ILE A 61 10.359 0.348 3.166 1.00 11.78 C ATOM 964 C ILE A 61 11.215 -0.561 2.289 1.00 13.74 C ATOM 965 O ILE A 61 11.432 -0.280 1.078 1.00 14.60 O ATOM 966 CB ILE A 61 8.991 0.386 2.536 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.013 1.316 3.230 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.271 -0.992 2.408 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.864 1.912 2.360 1.00 11.42 C ATOM 0 H ILE A 61 10.560 2.302 2.426 1.00 11.08 H new ATOM 0 HA ILE A 61 10.280 0.009 4.199 1.00 11.78 H new ATOM 0 HB ILE A 61 9.239 0.757 1.541 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.562 0.774 4.062 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.578 2.144 3.658 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.296 -0.851 1.942 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.873 -1.661 1.794 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.140 -1.428 3.399 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.238 2.558 2.976 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.291 2.493 1.542 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.259 1.102 1.952 1.00 11.42 H new ATOM 981 N GLN A 62 11.758 -1.665 2.851 1.00 13.97 N ATOM 982 CA GLN A 62 12.711 -2.502 2.139 1.00 15.52 C ATOM 983 C GLN A 62 12.156 -3.950 2.171 1.00 13.94 C ATOM 984 O GLN A 62 11.211 -4.262 2.953 1.00 12.15 O ATOM 985 CB GLN A 62 14.074 -2.497 2.824 1.00 19.53 C ATOM 986 CG GLN A 62 14.671 -1.114 2.737 1.00 26.38 C ATOM 987 CD GLN A 62 16.130 -1.164 3.266 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.552 -2.056 4.005 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.924 -0.174 2.779 1.00 32.71 N ATOM 0 H GLN A 62 11.543 -1.985 3.796 1.00 13.97 H new ATOM 0 HA GLN A 62 12.838 -2.126 1.124 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.971 -2.796 3.867 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.735 -3.222 2.349 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.655 -0.760 1.706 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.081 -0.411 3.324 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.530 0.543 2.170 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.914 -0.148 3.022 1.00 32.71 H new ATOM 998 N LYS A 63 12.758 -4.817 1.364 1.00 11.73 N ATOM 999 CA LYS A 63 12.426 -6.242 1.235 1.00 11.97 C ATOM 1000 C LYS A 63 12.124 -6.944 2.582 1.00 10.41 C ATOM 1001 O LYS A 63 12.937 -6.920 3.473 1.00 9.59 O ATOM 1002 CB LYS A 63 13.496 -6.956 0.411 1.00 13.73 C ATOM 1003 CG LYS A 63 13.343 -8.451 0.364 1.00 16.98 C ATOM 1004 CD LYS A 63 14.360 -9.102 -0.578 1.00 20.19 C ATOM 1005 CE LYS A 63 15.777 -9.019 0.076 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.800 -9.831 -0.638 1.00 25.97 N ATOM 0 H LYS A 63 13.526 -4.539 0.752 1.00 11.73 H new ATOM 0 HA LYS A 63 11.481 -6.306 0.695 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.474 -6.568 -0.607 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.476 -6.715 0.822 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.465 -8.860 1.367 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.334 -8.702 0.038 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.091 -10.142 -0.764 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.359 -8.595 -1.543 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.099 -7.978 0.098 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.713 -9.355 1.111 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.717 -9.735 -0.157 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.512 -10.830 -0.638 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.887 -9.496 -1.619 1.00 25.97 H new ATOM 1020 N GLU A 64 10.892 -7.489 2.662 1.00 10.04 N ATOM 1021 CA GLU A 64 10.180 -8.129 3.728 1.00 10.94 C ATOM 1022 C GLU A 64 9.744 -7.232 4.903 1.00 9.74 C ATOM 1023 O GLU A 64 10.274 -7.210 6.005 1.00 9.42 O ATOM 1024 CB GLU A 64 10.824 -9.455 4.219 1.00 18.31 C ATOM 1025 CG GLU A 64 11.090 -10.494 3.075 1.00 24.16 C ATOM 1026 CD GLU A 64 11.788 -11.684 3.714 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.646 -11.619 4.620 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.424 -12.808 3.303 1.00 32.61 O ATOM 0 H GLU A 64 10.303 -7.472 1.830 1.00 10.04 H new ATOM 0 HA GLU A 64 9.246 -8.390 3.231 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.767 -9.227 4.716 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.172 -9.910 4.965 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.155 -10.801 2.606 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.710 -10.057 2.293 1.00 24.16 H new ATOM 1035 N SER A 65 8.726 -6.420 4.641 1.00 6.85 N ATOM 1036 CA SER A 65 8.147 -5.387 5.504 1.00 6.90 C ATOM 1037 C SER A 65 6.682 -5.487 5.365 1.00 4.72 C ATOM 1038 O SER A 65 6.296 -6.218 4.458 1.00 3.91 O ATOM 1039 CB SER A 65 8.605 -4.000 5.230 1.00 7.28 C ATOM 1040 OG SER A 65 8.070 -2.995 6.162 1.00 10.56 O ATOM 0 H SER A 65 8.241 -6.469 3.745 1.00 6.85 H new ATOM 0 HA SER A 65 8.487 -5.575 6.522 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.694 -3.974 5.270 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.317 -3.728 4.215 1.00 7.28 H new ATOM 0 HG SER A 65 8.534 -2.142 6.025 1.00 10.56 H new ATOM 1046 N THR A 66 5.922 -4.772 6.244 1.00 4.48 N ATOM 1047 CA THR A 66 4.466 -4.948 6.346 1.00 3.80 C ATOM 1048 C THR A 66 3.998 -3.494 6.198 1.00 4.60 C ATOM 1049 O THR A 66 4.554 -2.652 6.840 1.00 5.33 O ATOM 1050 CB THR A 66 4.035 -5.605 7.641 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.368 -6.957 7.762 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.501 -5.419 7.798 1.00 3.40 C ATOM 0 H THR A 66 6.303 -4.075 6.884 1.00 4.48 H new ATOM 0 HA THR A 66 4.037 -5.626 5.608 1.00 3.80 H new ATOM 0 HB THR A 66 4.590 -5.111 8.438 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.053 -7.295 8.626 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.171 -5.886 8.726 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.264 -4.355 7.823 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.990 -5.885 6.956 1.00 3.40 H new ATOM 1060 N LEU A 67 3.016 -3.202 5.389 1.00 4.17 N ATOM 1061 CA LEU A 67 2.321 -1.911 5.239 1.00 3.85 C ATOM 1062 C LEU A 67 0.860 -2.063 5.562 1.00 3.80 C ATOM 1063 O LEU A 67 0.276 -3.033 5.150 1.00 5.54 O ATOM 1064 CB LEU A 67 2.377 -1.470 3.748 1.00 7.18 C ATOM 1065 CG LEU A 67 3.818 -1.473 3.190 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.906 -1.239 1.686 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.740 -0.387 3.875 1.00 11.66 C ATOM 0 H LEU A 67 2.635 -3.906 4.757 1.00 4.17 H new ATOM 0 HA LEU A 67 2.801 -1.193 5.904 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.757 -2.138 3.150 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.954 -0.470 3.651 1.00 7.18 H new ATOM 0 HG LEU A 67 4.166 -2.480 3.420 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.951 -1.256 1.376 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.359 -2.024 1.163 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.471 -0.270 1.443 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.740 -0.435 3.444 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.320 0.605 3.708 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.797 -0.581 4.946 1.00 11.66 H new ATOM 1079 N HIS A 68 0.193 -1.200 6.285 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.192 -1.422 6.744 1.00 4.17 C ATOM 1081 C HIS A 68 -2.224 -0.848 5.811 1.00 5.32 C ATOM 1082 O HIS A 68 -2.271 0.359 5.572 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.333 -0.871 8.160 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.234 -1.318 9.067 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.983 -0.691 9.193 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.125 -2.466 9.794 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.730 -1.505 9.914 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.149 -2.582 10.332 1.00 16.30 N ATOM 0 H HIS A 68 0.584 -0.307 6.585 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.385 -2.495 6.748 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.346 0.218 8.122 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.291 -1.187 8.574 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.252 0.215 8.809 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.919 -3.185 9.932 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.763 -1.285 10.141 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.024 -1.704 5.206 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.107 -1.284 4.375 1.00 3.97 C ATOM 1098 C LEU A 69 -5.193 -0.636 5.130 1.00 5.07 C ATOM 1099 O LEU A 69 -5.612 -1.114 6.208 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.703 -2.481 3.665 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.612 -2.102 2.450 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.914 -1.397 1.363 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.328 -3.386 1.947 1.00 9.96 C ATOM 0 H LEU A 69 -2.930 -2.717 5.286 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.689 -0.561 3.674 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.896 -3.125 3.317 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.288 -3.061 4.378 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.345 -1.376 2.802 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.619 -1.173 0.563 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.491 -0.468 1.745 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.114 -2.027 0.975 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.966 -3.138 1.099 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.584 -4.120 1.639 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.937 -3.801 2.750 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.835 0.451 4.656 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.978 1.106 5.257 1.00 6.26 C ATOM 1117 C VAL A 70 -7.851 1.492 4.099 1.00 9.22 C ATOM 1118 O VAL A 70 -7.364 1.949 3.137 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.528 2.363 6.019 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.783 3.175 6.453 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.784 1.831 7.325 1.00 8.54 C ATOM 0 H VAL A 70 -5.540 0.909 3.794 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.494 0.463 5.970 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.888 3.000 5.409 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.470 4.068 6.994 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.351 3.467 5.570 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.409 2.560 7.100 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.436 2.678 7.916 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.475 1.233 7.919 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.931 1.217 7.034 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.172 1.125 4.206 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.122 1.283 3.085 1.00 16.06 C ATOM 1133 C LEU A 71 -11.280 2.173 3.405 1.00 18.09 C ATOM 1134 O LEU A 71 -12.019 1.878 4.280 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.710 -0.138 2.667 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.591 -1.115 2.097 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.343 -2.356 1.669 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.840 -0.558 0.890 1.00 19.57 C ATOM 0 H LEU A 71 -9.583 0.725 5.050 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.552 1.742 2.277 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.185 -0.600 3.532 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.485 0.000 1.914 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.833 -1.285 2.862 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.641 -3.084 1.262 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.854 -2.787 2.530 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.076 -2.093 0.906 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.095 -1.281 0.560 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.544 -0.367 0.080 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.345 0.372 1.167 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.372 3.275 2.655 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.331 4.263 2.785 1.00 25.83 C ATOM 1152 C ARG A 72 -13.688 4.023 2.220 1.00 27.74 C ATOM 1153 O ARG A 72 -13.898 3.839 1.010 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.767 5.503 2.056 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.487 6.850 2.098 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.620 7.906 1.473 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.298 9.111 1.815 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.828 10.347 1.643 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.778 10.646 0.826 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.321 11.347 2.369 1.00 35.02 N ATOM 0 H ARG A 72 -10.711 3.470 1.903 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.498 4.346 3.859 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.762 5.669 2.444 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.662 5.232 1.005 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.436 6.783 1.566 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.718 7.118 3.129 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.606 7.885 1.871 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.541 7.778 0.393 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.226 9.020 2.228 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.308 9.904 0.307 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.462 11.611 0.734 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.055 11.167 3.054 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.965 12.294 2.241 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.751 4.023 3.000 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.111 4.112 2.468 1.00 30.76 C ATOM 1176 C LEU A 73 -16.718 5.420 2.935 1.00 32.18 C ATOM 1177 O LEU A 73 -16.762 5.714 4.102 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.899 3.001 3.122 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.496 1.632 2.634 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.094 0.489 3.604 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.954 1.355 1.217 1.00 29.11 C ATOM 0 H LEU A 73 -14.705 3.962 4.017 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.118 4.046 1.380 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.761 3.052 4.202 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.961 3.153 2.928 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.406 1.613 2.647 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.794 -0.493 3.238 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.711 0.632 4.614 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.182 0.555 3.616 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.635 0.356 0.920 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.041 1.419 1.167 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.516 2.091 0.543 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.351 6.156 1.983 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.873 7.549 2.219 1.00 35.33 C ATOM 1195 C ARG A 74 -18.938 7.632 3.328 1.00 36.22 C ATOM 1196 O ARG A 74 -19.077 8.678 3.937 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.284 8.159 0.786 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.135 8.517 -0.186 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.215 9.699 0.168 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.090 9.737 -0.810 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.219 10.813 -0.905 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.352 11.890 -0.145 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.286 10.703 -1.887 1.00 41.93 N ATOM 0 H ARG A 74 -17.518 5.814 1.037 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.096 8.186 2.641 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.936 7.442 0.288 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.873 9.060 0.959 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.509 7.632 -0.299 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.577 8.722 -1.161 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.773 10.635 0.139 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.831 9.589 1.182 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.955 8.941 -1.433 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.111 11.945 0.534 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.695 12.665 -0.239 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.267 9.875 -2.482 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.604 11.448 -2.029 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.732 6.525 3.541 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.707 6.438 4.644 1.00 36.07 C ATOM 1219 C GLY A 75 -20.175 6.142 6.017 1.00 36.16 C ATOM 1220 O GLY A 75 -20.910 6.360 6.953 1.00 36.26 O ATOM 0 H GLY A 75 -19.701 5.692 2.953 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.249 7.383 4.690 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.433 5.666 4.391 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.922 5.677 6.209 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.388 5.169 7.425 1.00 36.19 C ATOM 1226 C GLY A 76 -16.992 5.696 7.709 1.00 36.20 C ATOM 1227 O GLY A 76 -16.801 6.947 7.860 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.029 4.874 7.873 1.00 0.00 O ATOM 0 H GLY A 76 -18.239 5.659 5.452 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -19.049 5.437 8.249 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.360 4.080 7.380 1.00 36.19 H new TER 1232 GLY A 76