USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ 145:sc= 2.48 (180deg=1.04) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0.731 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.685 (180deg=-0.696) USER MOD Single : A 1 MET N :NH3+ -140:sc= 1.07 (180deg=0.396) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00584 USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= 0.955 (180deg=-1.27!) 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.363 K(o=0.36,f=-0.97) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.92 (180deg=0.657) USER MOD Single : A 29 LYS NZ :NH3+ -110:sc= 0.171 (180deg=-0.206) USER MOD Single : A 31 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.321) USER MOD Single : A 40 GLN : amide:sc= -0.309 K(o=-0.31,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc= 0.117 K(o=0.12,f=-2) 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) USER MOD Single : A 55 THR OG1 : rot -56:sc= 1.2 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -77:sc= 0.244 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.515 K(o=-0.52,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 68:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.807 -7.369 -5.093 1.00 9.67 N ATOM 2 CA MET A 1 11.715 -7.640 -3.650 1.00 10.38 C ATOM 3 C MET A 1 10.275 -7.902 -3.161 1.00 9.62 C ATOM 4 O MET A 1 9.343 -7.591 -3.873 1.00 9.62 O ATOM 5 CB MET A 1 12.341 -6.424 -2.960 1.00 13.77 C ATOM 6 CG MET A 1 11.521 -5.103 -2.759 1.00 16.29 C ATOM 7 SD MET A 1 12.311 -4.068 -1.506 1.00 17.17 S ATOM 8 CE MET A 1 11.028 -2.824 -1.660 1.00 16.11 C ATOM 0 H1 MET A 1 12.647 -7.842 -5.482 1.00 9.67 H new ATOM 0 H2 MET A 1 10.955 -7.729 -5.569 1.00 9.67 H new ATOM 0 H3 MET A 1 11.884 -6.344 -5.249 1.00 9.67 H new ATOM 0 HA MET A 1 12.242 -8.562 -3.406 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.669 -6.750 -1.973 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.236 -6.162 -3.524 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.454 -4.560 -3.702 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.501 -5.341 -2.456 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.272 -1.969 -1.029 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.958 -2.500 -2.698 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.073 -3.245 -1.346 1.00 16.11 H new ATOM 20 N GLN A 2 10.133 -8.449 -1.933 1.00 9.27 N ATOM 21 CA GLN A 2 8.761 -8.618 -1.434 1.00 9.07 C ATOM 22 C GLN A 2 8.360 -7.685 -0.280 1.00 8.72 C ATOM 23 O GLN A 2 9.110 -7.428 0.655 1.00 8.22 O ATOM 24 CB GLN A 2 8.688 -10.143 -0.996 1.00 14.46 C ATOM 25 CG GLN A 2 7.330 -10.746 -0.669 1.00 17.01 C ATOM 26 CD GLN A 2 7.304 -12.289 -0.543 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.662 -12.777 0.574 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.953 -12.977 -1.643 1.00 19.49 N ATOM 0 H GLN A 2 10.885 -8.757 -1.317 1.00 9.27 H new ATOM 0 HA GLN A 2 8.049 -8.348 -2.214 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.130 -10.738 -1.796 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.324 -10.266 -0.119 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.976 -10.315 0.268 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.623 -10.449 -1.444 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.681 -12.479 -2.491 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.958 -13.997 -1.630 1.00 19.49 H new ATOM 37 N ILE A 3 7.108 -7.207 -0.339 1.00 5.87 N ATOM 38 CA ILE A 3 6.443 -6.468 0.750 1.00 5.07 C ATOM 39 C ILE A 3 5.031 -7.103 1.078 1.00 4.01 C ATOM 40 O ILE A 3 4.362 -7.665 0.192 1.00 4.61 O ATOM 41 CB ILE A 3 6.333 -4.966 0.631 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.266 -4.500 -0.442 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.720 -4.349 0.427 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.094 -2.962 -0.404 1.00 10.83 C ATOM 0 H ILE A 3 6.516 -7.325 -1.161 1.00 5.87 H new ATOM 0 HA ILE A 3 7.141 -6.593 1.578 1.00 5.07 H new ATOM 0 HB ILE A 3 5.941 -4.584 1.573 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.583 -4.812 -1.437 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.309 -4.984 -0.246 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.628 -3.266 0.343 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.356 -4.594 1.278 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.165 -4.747 -0.485 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.357 -2.660 -1.148 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.755 -2.658 0.586 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.048 -2.484 -0.624 1.00 10.83 H new ATOM 56 N PHE A 4 4.621 -7.003 2.356 1.00 4.55 N ATOM 57 CA PHE A 4 3.385 -7.482 2.920 1.00 4.68 C ATOM 58 C PHE A 4 2.341 -6.373 3.232 1.00 5.30 C ATOM 59 O PHE A 4 2.747 -5.342 3.736 1.00 5.58 O ATOM 60 CB PHE A 4 3.637 -8.320 4.248 1.00 4.83 C ATOM 61 CG PHE A 4 4.639 -9.473 4.090 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.484 -10.457 3.074 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.798 -9.533 4.894 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.454 -11.434 2.945 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.801 -10.575 4.760 1.00 10.61 C ATOM 66 CZ PHE A 4 6.570 -11.483 3.718 1.00 8.90 C ATOM 0 H PHE A 4 5.203 -6.548 3.059 1.00 4.55 H new ATOM 0 HA PHE A 4 2.965 -8.113 2.137 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.997 -7.646 5.026 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.686 -8.726 4.593 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.627 -10.441 2.417 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.946 -8.769 5.643 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.318 -12.196 2.192 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.658 -10.645 5.413 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.306 -12.249 3.522 1.00 8.90 H new ATOM 76 N VAL A 5 1.018 -6.631 3.007 1.00 4.44 N ATOM 77 CA VAL A 5 -0.062 -5.724 3.423 1.00 3.87 C ATOM 78 C VAL A 5 -1.103 -6.402 4.275 1.00 4.93 C ATOM 79 O VAL A 5 -1.790 -7.274 3.781 1.00 6.84 O ATOM 80 CB VAL A 5 -0.761 -4.984 2.332 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.845 -4.078 2.833 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.321 -4.341 1.448 1.00 9.13 C ATOM 0 H VAL A 5 0.687 -7.472 2.534 1.00 4.44 H new ATOM 0 HA VAL A 5 0.489 -4.984 4.004 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.338 -5.661 1.701 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.313 -3.570 1.990 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.594 -4.666 3.364 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.417 -3.339 3.510 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.153 -3.789 0.636 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.923 -3.658 2.048 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.961 -5.119 1.032 1.00 9.13 H new ATOM 92 N LYS A 6 -1.178 -6.045 5.581 1.00 6.04 N ATOM 93 CA LYS A 6 -2.288 -6.470 6.475 1.00 6.12 C ATOM 94 C LYS A 6 -3.483 -5.638 6.289 1.00 6.57 C ATOM 95 O LYS A 6 -3.431 -4.501 5.795 1.00 5.76 O ATOM 96 CB LYS A 6 -1.864 -6.585 7.945 1.00 7.45 C ATOM 97 CG LYS A 6 -2.768 -7.431 8.910 1.00 11.12 C ATOM 98 CD LYS A 6 -2.855 -8.902 8.418 1.00 14.54 C ATOM 99 CE LYS A 6 -3.152 -9.892 9.504 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.143 -11.205 8.885 1.00 20.55 N ATOM 0 H LYS A 6 -0.480 -5.461 6.042 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.560 -7.482 6.175 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.860 -7.009 7.971 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.794 -5.576 8.352 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.360 -7.402 9.920 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.767 -6.997 8.957 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.629 -8.973 7.654 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.912 -9.172 7.943 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.406 -9.833 10.296 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -4.120 -9.686 9.961 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.759 -11.902 9.555 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -4.114 -11.473 8.626 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.550 -11.182 8.031 1.00 20.55 H new ATOM 114 N THR A 7 -4.694 -6.204 6.489 1.00 7.41 N ATOM 115 CA THR A 7 -5.942 -5.541 6.274 1.00 7.48 C ATOM 116 C THR A 7 -6.942 -5.961 7.315 1.00 8.75 C ATOM 117 O THR A 7 -6.773 -6.972 7.999 1.00 8.58 O ATOM 118 CB THR A 7 -6.433 -5.704 4.836 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.645 -4.961 4.608 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.794 -7.141 4.451 1.00 9.17 C ATOM 0 H THR A 7 -4.803 -7.165 6.814 1.00 7.41 H new ATOM 0 HA THR A 7 -5.799 -4.468 6.398 1.00 7.48 H new ATOM 0 HB THR A 7 -5.589 -5.351 4.243 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.934 -5.083 3.680 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.132 -7.166 3.415 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.917 -7.779 4.562 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.590 -7.503 5.102 1.00 9.17 H new ATOM 128 N LEU A 8 -8.030 -5.164 7.455 1.00 9.84 N ATOM 129 CA LEU A 8 -8.976 -5.398 8.478 1.00 14.15 C ATOM 130 C LEU A 8 -9.836 -6.667 8.283 1.00 17.37 C ATOM 131 O LEU A 8 -10.461 -7.170 9.200 1.00 17.01 O ATOM 132 CB LEU A 8 -9.979 -4.212 8.481 1.00 16.63 C ATOM 133 CG LEU A 8 -9.396 -2.892 9.012 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.432 -1.792 8.629 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.189 -2.912 10.575 1.00 18.59 C ATOM 0 H LEU A 8 -8.239 -4.366 6.855 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.400 -5.515 9.396 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.339 -4.054 7.465 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.843 -4.484 9.087 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.411 -2.713 8.580 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.079 -0.822 8.979 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.551 -1.766 7.546 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.391 -2.018 9.094 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.775 -1.957 10.899 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.147 -3.078 11.067 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.501 -3.714 10.841 1.00 18.59 H new ATOM 147 N THR A 9 -9.852 -7.128 7.032 1.00 18.33 N ATOM 148 CA THR A 9 -10.622 -8.311 6.676 1.00 19.24 C ATOM 149 C THR A 9 -9.815 -9.584 6.867 1.00 19.48 C ATOM 150 O THR A 9 -10.180 -10.663 6.400 1.00 23.14 O ATOM 151 CB THR A 9 -11.195 -8.340 5.340 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.227 -7.876 4.409 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.340 -7.324 5.220 1.00 19.70 C ATOM 0 H THR A 9 -9.344 -6.702 6.257 1.00 18.33 H new ATOM 0 HA THR A 9 -11.462 -8.254 7.368 1.00 19.24 H new ATOM 0 HB THR A 9 -11.529 -9.361 5.152 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.607 -7.895 3.506 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.755 -7.361 4.213 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.119 -7.566 5.943 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.960 -6.322 5.419 1.00 19.70 H new ATOM 161 N GLY A 10 -8.704 -9.483 7.541 1.00 19.43 N ATOM 162 CA GLY A 10 -7.928 -10.517 8.137 1.00 18.74 C ATOM 163 C GLY A 10 -6.719 -10.808 7.341 1.00 17.62 C ATOM 164 O GLY A 10 -5.675 -11.251 7.858 1.00 19.74 O ATOM 0 H GLY A 10 -8.280 -8.569 7.699 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.639 -10.222 9.146 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.531 -11.420 8.229 1.00 18.74 H new ATOM 168 N LYS A 11 -6.737 -10.628 6.006 1.00 13.56 N ATOM 169 CA LYS A 11 -5.735 -11.103 5.093 1.00 11.91 C ATOM 170 C LYS A 11 -4.351 -10.489 5.152 1.00 10.18 C ATOM 171 O LYS A 11 -4.141 -9.274 5.399 1.00 9.10 O ATOM 172 CB LYS A 11 -6.205 -10.930 3.601 1.00 13.43 C ATOM 173 CG LYS A 11 -7.653 -11.386 3.238 1.00 16.69 C ATOM 174 CD LYS A 11 -7.852 -11.250 1.722 1.00 17.92 C ATOM 175 CE LYS A 11 -7.157 -12.348 0.897 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.631 -12.328 -0.524 1.00 21.93 N ATOM 0 H LYS A 11 -7.490 -10.124 5.537 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.634 -12.136 5.427 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.110 -9.876 3.340 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.511 -11.480 2.965 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.812 -12.419 3.548 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.384 -10.778 3.770 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.920 -11.267 1.503 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.477 -10.278 1.403 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.077 -12.203 0.927 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.359 -13.324 1.339 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.066 -13.243 -0.758 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.333 -11.570 -0.645 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.824 -12.157 -1.157 1.00 21.93 H new ATOM 190 N THR A 12 -3.248 -11.253 4.950 1.00 9.63 N ATOM 191 CA THR A 12 -1.960 -10.691 4.767 1.00 9.85 C ATOM 192 C THR A 12 -1.631 -10.875 3.287 1.00 11.66 C ATOM 193 O THR A 12 -1.440 -12.011 2.821 1.00 12.33 O ATOM 194 CB THR A 12 -0.853 -11.333 5.556 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.186 -11.211 6.951 1.00 10.91 O ATOM 196 CG2 THR A 12 0.390 -10.546 5.249 1.00 9.63 C ATOM 0 H THR A 12 -3.266 -12.272 4.916 1.00 9.63 H new ATOM 0 HA THR A 12 -2.007 -9.658 5.112 1.00 9.85 H new ATOM 0 HB THR A 12 -0.710 -12.386 5.312 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.481 -11.623 7.493 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.232 -10.968 5.797 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.594 -10.591 4.179 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.246 -9.508 5.548 1.00 9.63 H new ATOM 204 N ILE A 13 -1.681 -9.780 2.512 1.00 10.42 N ATOM 205 CA ILE A 13 -1.592 -9.764 1.091 1.00 11.84 C ATOM 206 C ILE A 13 -0.107 -9.692 0.822 1.00 10.55 C ATOM 207 O ILE A 13 0.631 -8.995 1.473 1.00 11.92 O ATOM 208 CB ILE A 13 -2.280 -8.551 0.476 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.767 -8.475 0.958 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.149 -8.711 -1.019 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.284 -7.006 0.831 1.00 16.46 C ATOM 0 H ILE A 13 -1.791 -8.846 2.906 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.082 -10.635 0.655 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.825 -7.609 0.784 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.388 -9.143 0.361 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.842 -8.810 1.993 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.626 -7.867 -1.518 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.094 -8.744 -1.290 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.633 -9.637 -1.330 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.320 -6.954 1.167 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.670 -6.349 1.447 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.224 -6.688 -0.210 1.00 16.46 H new ATOM 223 N THR A 14 0.373 -10.481 -0.127 1.00 9.39 N ATOM 224 CA THR A 14 1.837 -10.642 -0.446 1.00 9.63 C ATOM 225 C THR A 14 2.194 -10.020 -1.782 1.00 11.20 C ATOM 226 O THR A 14 1.715 -10.479 -2.800 1.00 11.63 O ATOM 227 CB THR A 14 2.262 -12.114 -0.452 1.00 10.38 C ATOM 228 OG1 THR A 14 2.038 -12.586 0.875 1.00 16.30 O ATOM 229 CG2 THR A 14 3.753 -12.207 -0.861 1.00 11.66 C ATOM 0 H THR A 14 -0.230 -11.049 -0.723 1.00 9.39 H new ATOM 0 HA THR A 14 2.376 -10.121 0.345 1.00 9.63 H new ATOM 0 HB THR A 14 1.701 -12.719 -1.164 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.292 -13.531 0.933 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.064 -13.252 -0.868 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.884 -11.783 -1.856 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.361 -11.652 -0.147 1.00 11.66 H new ATOM 237 N LEU A 15 3.028 -8.930 -1.924 1.00 8.29 N ATOM 238 CA LEU A 15 3.239 -8.190 -3.149 1.00 9.03 C ATOM 239 C LEU A 15 4.690 -8.032 -3.562 1.00 8.59 C ATOM 240 O LEU A 15 5.531 -7.596 -2.816 1.00 7.79 O ATOM 241 CB LEU A 15 2.748 -6.727 -3.018 1.00 11.08 C ATOM 242 CG LEU A 15 1.240 -6.636 -2.619 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.874 -5.171 -2.343 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.280 -7.276 -3.691 1.00 15.27 C ATOM 0 H LEU A 15 3.572 -8.560 -1.144 1.00 8.29 H new ATOM 0 HA LEU A 15 2.692 -8.786 -3.880 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.350 -6.211 -2.271 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.902 -6.209 -3.965 1.00 11.08 H new ATOM 0 HG LEU A 15 1.100 -7.224 -1.712 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.178 -5.105 -2.064 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.490 -4.789 -1.529 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.050 -4.577 -3.240 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.753 -7.182 -3.357 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.402 -6.760 -4.643 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.526 -8.330 -3.816 1.00 15.27 H new ATOM 256 N GLU A 16 4.967 -8.423 -4.854 1.00 11.04 N ATOM 257 CA GLU A 16 6.187 -8.158 -5.556 1.00 11.50 C ATOM 258 C GLU A 16 6.304 -6.678 -6.009 1.00 10.13 C ATOM 259 O GLU A 16 5.434 -6.285 -6.814 1.00 9.83 O ATOM 260 CB GLU A 16 6.329 -9.057 -6.895 1.00 17.22 C ATOM 261 CG GLU A 16 7.582 -8.859 -7.746 1.00 23.33 C ATOM 262 CD GLU A 16 8.903 -9.101 -7.012 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.129 -10.273 -6.632 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.787 -8.181 -6.899 1.00 28.86 O ATOM 0 H GLU A 16 4.296 -8.947 -5.416 1.00 11.04 H new ATOM 0 HA GLU A 16 6.972 -8.401 -4.840 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.283 -10.106 -6.603 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.460 -8.863 -7.524 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.531 -9.530 -8.603 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.581 -7.842 -8.137 1.00 23.33 H new ATOM 271 N VAL A 17 7.290 -5.947 -5.558 1.00 8.99 N ATOM 272 CA VAL A 17 7.411 -4.529 -5.752 1.00 8.85 C ATOM 273 C VAL A 17 8.917 -4.141 -5.817 1.00 8.04 C ATOM 274 O VAL A 17 9.772 -4.919 -5.418 1.00 8.99 O ATOM 275 CB VAL A 17 6.804 -3.690 -4.667 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.302 -3.629 -4.680 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.299 -4.033 -3.288 1.00 10.54 C ATOM 0 H VAL A 17 8.063 -6.343 -5.023 1.00 8.99 H new ATOM 0 HA VAL A 17 6.869 -4.327 -6.676 1.00 8.85 H new ATOM 0 HB VAL A 17 7.160 -2.690 -4.914 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.956 -3.000 -3.860 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.963 -3.209 -5.627 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.896 -4.634 -4.563 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.816 -3.385 -2.556 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.062 -5.073 -3.064 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.379 -3.890 -3.243 1.00 10.54 H new ATOM 287 N GLU A 18 9.259 -2.953 -6.358 1.00 7.29 N ATOM 288 CA GLU A 18 10.626 -2.444 -6.435 1.00 7.08 C ATOM 289 C GLU A 18 10.752 -1.045 -5.772 1.00 6.45 C ATOM 290 O GLU A 18 9.870 -0.248 -6.007 1.00 5.28 O ATOM 291 CB GLU A 18 11.100 -2.422 -8.007 1.00 10.28 C ATOM 292 CG GLU A 18 10.244 -1.540 -8.915 1.00 12.65 C ATOM 293 CD GLU A 18 10.641 -1.624 -10.317 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.387 -2.722 -10.892 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.055 -0.585 -10.917 1.00 14.33 O ATOM 0 H GLU A 18 8.572 -2.315 -6.759 1.00 7.29 H new ATOM 0 HA GLU A 18 11.288 -3.106 -5.876 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.133 -2.078 -8.057 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.084 -3.442 -8.392 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.199 -1.833 -8.819 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.316 -0.505 -8.582 1.00 12.65 H new ATOM 302 N PRO A 19 11.844 -0.678 -5.022 1.00 7.24 N ATOM 303 CA PRO A 19 11.938 0.551 -4.202 1.00 7.07 C ATOM 304 C PRO A 19 11.749 1.834 -4.892 1.00 6.65 C ATOM 305 O PRO A 19 11.057 2.706 -4.441 1.00 6.37 O ATOM 306 CB PRO A 19 13.340 0.527 -3.707 1.00 7.61 C ATOM 307 CG PRO A 19 13.463 -0.915 -3.339 1.00 8.16 C ATOM 308 CD PRO A 19 12.935 -1.616 -4.619 1.00 7.49 C ATOM 0 HA PRO A 19 11.136 0.522 -3.464 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.057 0.824 -4.472 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.492 1.189 -2.854 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.493 -1.193 -3.116 1.00 8.16 H new ATOM 0 HG3 PRO A 19 12.868 -1.165 -2.461 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.704 -1.710 -5.386 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.563 -2.620 -4.417 1.00 7.49 H new ATOM 316 N SER A 20 12.279 1.976 -6.144 1.00 6.80 N ATOM 317 CA SER A 20 12.084 3.182 -6.937 1.00 6.28 C ATOM 318 C SER A 20 10.935 3.160 -7.892 1.00 8.45 C ATOM 319 O SER A 20 11.037 3.692 -8.998 1.00 7.26 O ATOM 320 CB SER A 20 13.264 3.510 -7.867 1.00 8.57 C ATOM 321 OG SER A 20 14.464 3.569 -7.103 1.00 11.13 O ATOM 0 H SER A 20 12.840 1.260 -6.605 1.00 6.80 H new ATOM 0 HA SER A 20 11.932 3.904 -6.135 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.351 2.751 -8.644 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.092 4.462 -8.369 1.00 8.57 H new ATOM 0 HG SER A 20 15.218 3.776 -7.694 1.00 11.13 H new ATOM 327 N ASP A 21 9.754 2.683 -7.428 1.00 7.50 N ATOM 328 CA ASP A 21 8.508 2.741 -8.222 1.00 7.70 C ATOM 329 C ASP A 21 7.373 3.301 -7.304 1.00 7.08 C ATOM 330 O ASP A 21 7.439 3.235 -6.080 1.00 8.11 O ATOM 331 CB ASP A 21 8.183 1.405 -8.870 1.00 11.00 C ATOM 332 CG ASP A 21 6.985 1.535 -9.832 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.179 2.026 -11.008 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.911 1.003 -9.424 1.00 14.36 O ATOM 0 H ASP A 21 9.641 2.255 -6.509 1.00 7.50 H new ATOM 0 HA ASP A 21 8.626 3.419 -9.067 1.00 7.70 H new ATOM 0 HB2 ASP A 21 9.054 1.040 -9.415 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.957 0.668 -8.099 1.00 11.00 H new ATOM 339 N THR A 22 6.297 3.918 -7.887 1.00 5.37 N ATOM 340 CA THR A 22 5.335 4.636 -7.079 1.00 6.01 C ATOM 341 C THR A 22 4.501 3.762 -6.067 1.00 8.01 C ATOM 342 O THR A 22 4.200 2.588 -6.347 1.00 8.11 O ATOM 343 CB THR A 22 4.407 5.549 -7.774 1.00 8.92 C ATOM 344 OG1 THR A 22 3.787 4.736 -8.739 1.00 10.22 O ATOM 345 CG2 THR A 22 5.142 6.606 -8.600 1.00 9.65 C ATOM 0 H THR A 22 6.103 3.917 -8.888 1.00 5.37 H new ATOM 0 HA THR A 22 6.041 5.255 -6.525 1.00 6.01 H new ATOM 0 HB THR A 22 3.761 6.038 -7.044 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.145 5.269 -9.252 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.416 7.253 -9.092 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.776 7.204 -7.945 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.759 6.115 -9.353 1.00 9.65 H new ATOM 353 N ILE A 23 3.969 4.423 -5.021 1.00 8.32 N ATOM 354 CA ILE A 23 2.982 3.969 -4.051 1.00 9.92 C ATOM 355 C ILE A 23 1.662 3.635 -4.754 1.00 10.01 C ATOM 356 O ILE A 23 0.990 2.678 -4.400 1.00 8.71 O ATOM 357 CB ILE A 23 2.732 5.069 -3.062 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.076 5.503 -2.258 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.569 4.671 -2.119 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.357 4.427 -1.173 1.00 12.30 C ATOM 0 H ILE A 23 4.255 5.382 -4.824 1.00 8.32 H new ATOM 0 HA ILE A 23 3.360 3.078 -3.549 1.00 9.92 H new ATOM 0 HB ILE A 23 2.432 5.962 -3.610 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.920 5.583 -2.943 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.945 6.482 -1.798 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.391 5.473 -1.402 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.666 4.502 -2.706 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.830 3.758 -1.584 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.256 4.696 -0.618 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.511 4.371 -0.488 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.501 3.458 -1.650 1.00 12.30 H new ATOM 372 N GLU A 24 1.285 4.435 -5.746 1.00 9.54 N ATOM 373 CA GLU A 24 0.153 4.218 -6.542 1.00 11.81 C ATOM 374 C GLU A 24 0.202 2.904 -7.246 1.00 11.14 C ATOM 375 O GLU A 24 -0.734 2.129 -7.378 1.00 10.62 O ATOM 376 CB GLU A 24 0.216 5.341 -7.597 1.00 19.24 C ATOM 377 CG GLU A 24 -1.057 5.447 -8.498 1.00 27.76 C ATOM 378 CD GLU A 24 -1.128 6.659 -9.390 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.306 7.575 -9.206 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.079 6.796 -10.235 1.00 34.80 O ATOM 0 H GLU A 24 1.802 5.277 -6.002 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.754 4.216 -5.937 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.368 6.293 -7.089 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.085 5.177 -8.234 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.113 4.555 -9.123 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.937 5.441 -7.854 1.00 27.76 H new ATOM 387 N ASN A 25 1.390 2.499 -7.662 1.00 9.43 N ATOM 388 CA ASN A 25 1.511 1.254 -8.329 1.00 10.96 C ATOM 389 C ASN A 25 1.401 0.029 -7.320 1.00 9.68 C ATOM 390 O ASN A 25 1.076 -1.085 -7.640 1.00 9.33 O ATOM 391 CB ASN A 25 2.663 1.052 -9.311 1.00 16.78 C ATOM 392 CG ASN A 25 2.630 2.076 -10.419 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.603 2.526 -10.890 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.855 2.324 -10.989 1.00 24.70 N ATOM 0 H ASN A 25 2.260 3.018 -7.543 1.00 9.43 H new ATOM 0 HA ASN A 25 0.648 1.289 -8.994 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.612 1.120 -8.779 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.608 0.051 -9.738 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.920 2.899 -11.829 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.700 1.933 -10.572 1.00 24.70 H new ATOM 401 N VAL A 26 1.571 0.290 -6.025 1.00 6.52 N ATOM 402 CA VAL A 26 1.357 -0.700 -4.985 1.00 5.53 C ATOM 403 C VAL A 26 -0.179 -0.870 -4.904 1.00 4.42 C ATOM 404 O VAL A 26 -0.603 -2.003 -4.770 1.00 3.40 O ATOM 405 CB VAL A 26 2.017 -0.376 -3.671 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.759 -1.349 -2.492 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.466 -0.130 -3.975 1.00 8.12 C ATOM 0 H VAL A 26 1.863 1.201 -5.672 1.00 6.52 H new ATOM 0 HA VAL A 26 1.844 -1.643 -5.235 1.00 5.53 H new ATOM 0 HB VAL A 26 1.544 0.515 -3.258 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.292 -0.999 -1.608 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.691 -1.388 -2.280 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.113 -2.345 -2.758 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.995 0.111 -3.053 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.901 -1.025 -4.421 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.555 0.703 -4.673 1.00 8.12 H new ATOM 417 N LYS A 27 -0.957 0.228 -4.952 1.00 2.64 N ATOM 418 CA LYS A 27 -2.442 0.201 -4.986 1.00 4.14 C ATOM 419 C LYS A 27 -2.954 -0.445 -6.266 1.00 5.58 C ATOM 420 O LYS A 27 -3.952 -1.167 -6.175 1.00 4.11 O ATOM 421 CB LYS A 27 -3.056 1.662 -4.759 1.00 3.97 C ATOM 422 CG LYS A 27 -2.736 2.186 -3.409 1.00 7.45 C ATOM 423 CD LYS A 27 -3.259 3.619 -3.241 1.00 9.02 C ATOM 424 CE LYS A 27 -3.052 4.134 -1.780 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.504 5.545 -1.571 1.00 15.47 N ATOM 0 H LYS A 27 -0.573 1.173 -4.969 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.785 -0.419 -4.158 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.666 2.343 -5.516 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.138 1.627 -4.889 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.179 1.541 -2.650 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.657 2.167 -3.253 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.744 4.280 -3.938 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.319 3.653 -3.494 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.594 3.483 -1.094 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.995 4.058 -1.524 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.894 6.004 -0.865 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.445 6.065 -2.470 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.488 5.548 -1.233 1.00 15.47 H new ATOM 439 N ALA A 28 -2.320 -0.257 -7.394 1.00 6.61 N ATOM 440 CA ALA A 28 -2.515 -0.982 -8.605 1.00 7.74 C ATOM 441 C ALA A 28 -2.436 -2.524 -8.371 1.00 9.17 C ATOM 442 O ALA A 28 -3.373 -3.295 -8.607 1.00 11.45 O ATOM 443 CB ALA A 28 -1.431 -0.625 -9.664 1.00 7.68 C ATOM 0 H ALA A 28 -1.603 0.462 -7.488 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.506 -0.703 -8.963 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.610 -1.196 -10.575 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.479 0.441 -9.888 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.444 -0.869 -9.271 1.00 7.68 H new ATOM 449 N LYS A 29 -1.348 -3.011 -7.771 1.00 8.96 N ATOM 450 CA LYS A 29 -1.089 -4.393 -7.464 1.00 7.90 C ATOM 451 C LYS A 29 -2.085 -4.980 -6.450 1.00 6.92 C ATOM 452 O LYS A 29 -2.404 -6.186 -6.522 1.00 6.87 O ATOM 453 CB LYS A 29 0.354 -4.582 -6.917 1.00 10.28 C ATOM 454 CG LYS A 29 1.371 -4.423 -8.067 1.00 14.94 C ATOM 455 CD LYS A 29 2.773 -4.417 -7.475 1.00 19.69 C ATOM 456 CE LYS A 29 3.904 -3.875 -8.449 1.00 22.63 C ATOM 457 NZ LYS A 29 3.622 -2.498 -8.922 1.00 24.98 N ATOM 0 H LYS A 29 -0.586 -2.402 -7.474 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.207 -4.932 -8.404 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.556 -3.849 -6.136 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.455 -5.568 -6.463 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.265 -5.239 -8.782 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.186 -3.497 -8.611 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.768 -3.807 -6.572 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.029 -5.432 -7.173 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.864 -3.891 -7.933 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.992 -4.541 -9.307 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.382 -2.521 -9.934 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.824 -2.103 -8.385 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.463 -1.903 -8.779 1.00 24.98 H new ATOM 471 N ILE A 30 -2.538 -4.206 -5.397 1.00 4.57 N ATOM 472 CA ILE A 30 -3.574 -4.684 -4.503 1.00 5.58 C ATOM 473 C ILE A 30 -4.973 -4.803 -5.255 1.00 7.26 C ATOM 474 O ILE A 30 -5.734 -5.675 -4.948 1.00 9.46 O ATOM 475 CB ILE A 30 -3.760 -3.838 -3.263 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.437 -3.763 -2.492 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.876 -4.402 -2.289 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.461 -2.834 -1.315 1.00 2.00 C ATOM 0 H ILE A 30 -2.187 -3.273 -5.180 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.229 -5.666 -4.179 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.081 -2.853 -3.602 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.174 -4.763 -2.146 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.649 -3.445 -3.175 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.962 -3.752 -1.419 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.832 -4.436 -2.812 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.603 -5.407 -1.966 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.487 -2.841 -0.826 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.690 -1.824 -1.654 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.224 -3.162 -0.608 1.00 2.00 H new ATOM 490 N GLN A 31 -5.311 -3.903 -6.255 1.00 7.06 N ATOM 491 CA GLN A 31 -6.535 -3.887 -7.117 1.00 8.67 C ATOM 492 C GLN A 31 -6.659 -5.166 -7.858 1.00 10.90 C ATOM 493 O GLN A 31 -7.732 -5.782 -7.780 1.00 9.63 O ATOM 494 CB GLN A 31 -6.567 -2.625 -7.987 1.00 9.12 C ATOM 495 CG GLN A 31 -7.922 -2.450 -8.714 1.00 10.76 C ATOM 496 CD GLN A 31 -7.860 -1.192 -9.602 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.856 -0.829 -10.226 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.999 -0.491 -9.615 1.00 14.76 N ATOM 0 H GLN A 31 -4.689 -3.127 -6.484 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.431 -3.824 -6.500 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.375 -1.751 -7.364 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.765 -2.673 -8.724 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.139 -3.329 -9.322 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.729 -2.358 -7.987 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.807 -0.821 -9.088 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.059 0.374 -10.152 1.00 14.76 H new ATOM 507 N ASP A 32 -5.530 -5.627 -8.455 1.00 10.93 N ATOM 508 CA ASP A 32 -5.445 -6.881 -9.095 1.00 14.01 C ATOM 509 C ASP A 32 -5.718 -8.136 -8.245 1.00 14.04 C ATOM 510 O ASP A 32 -6.413 -9.043 -8.645 1.00 13.39 O ATOM 511 CB ASP A 32 -4.095 -6.935 -9.799 1.00 18.01 C ATOM 512 CG ASP A 32 -3.943 -7.921 -10.998 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.541 -7.506 -12.022 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.232 -8.934 -10.944 1.00 26.29 O ATOM 0 H ASP A 32 -4.660 -5.096 -8.483 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.280 -6.931 -9.794 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.863 -5.932 -10.158 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.339 -7.191 -9.056 1.00 18.01 H new ATOM 519 N LYS A 33 -5.153 -8.250 -7.034 1.00 14.22 N ATOM 520 CA LYS A 33 -5.472 -9.313 -6.093 1.00 14.00 C ATOM 521 C LYS A 33 -6.812 -9.230 -5.443 1.00 12.37 C ATOM 522 O LYS A 33 -7.515 -10.230 -5.332 1.00 12.17 O ATOM 523 CB LYS A 33 -4.370 -9.416 -5.081 1.00 18.62 C ATOM 524 CG LYS A 33 -3.315 -10.513 -5.392 1.00 24.00 C ATOM 525 CD LYS A 33 -2.251 -10.632 -4.222 1.00 27.61 C ATOM 526 CE LYS A 33 -1.092 -11.557 -4.600 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.637 -12.868 -4.964 1.00 30.06 N ATOM 0 H LYS A 33 -4.454 -7.594 -6.684 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.543 -10.226 -6.684 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.865 -8.452 -5.012 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.808 -9.617 -4.103 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.814 -11.472 -5.533 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.807 -10.278 -6.327 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.863 -9.642 -3.982 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.739 -11.010 -3.324 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.530 -11.137 -5.434 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.399 -11.655 -3.765 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.877 -13.578 -4.943 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.380 -13.135 -4.287 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.041 -12.822 -5.921 1.00 30.06 H new ATOM 541 N GLU A 34 -7.250 -8.045 -4.916 1.00 10.11 N ATOM 542 CA GLU A 34 -8.316 -7.973 -3.924 1.00 10.07 C ATOM 543 C GLU A 34 -9.518 -7.125 -4.394 1.00 9.32 C ATOM 544 O GLU A 34 -10.543 -7.011 -3.732 1.00 11.61 O ATOM 545 CB GLU A 34 -7.977 -7.356 -2.573 1.00 14.77 C ATOM 546 CG GLU A 34 -6.819 -8.056 -1.925 1.00 18.75 C ATOM 547 CD GLU A 34 -7.093 -9.494 -1.529 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.168 -9.790 -0.952 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.197 -10.345 -1.809 1.00 25.19 O ATOM 0 H GLU A 34 -6.865 -7.137 -5.177 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.522 -9.037 -3.809 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.739 -6.300 -2.703 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.847 -7.408 -1.919 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.971 -8.037 -2.609 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.525 -7.498 -1.036 1.00 18.75 H new ATOM 556 N GLY A 35 -9.535 -6.653 -5.635 1.00 7.22 N ATOM 557 CA GLY A 35 -10.696 -5.993 -6.249 1.00 6.29 C ATOM 558 C GLY A 35 -10.836 -4.542 -5.884 1.00 6.93 C ATOM 559 O GLY A 35 -11.856 -3.981 -6.280 1.00 7.41 O ATOM 0 H GLY A 35 -8.731 -6.716 -6.259 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.619 -6.079 -7.333 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.602 -6.521 -5.951 1.00 6.29 H new ATOM 563 N ILE A 36 -9.962 -3.951 -5.119 1.00 5.86 N ATOM 564 CA ILE A 36 -10.123 -2.727 -4.453 1.00 6.07 C ATOM 565 C ILE A 36 -9.583 -1.658 -5.346 1.00 6.36 C ATOM 566 O ILE A 36 -8.369 -1.607 -5.519 1.00 6.18 O ATOM 567 CB ILE A 36 -9.437 -2.640 -3.058 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.823 -3.864 -2.254 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.758 -1.335 -2.274 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.896 -4.119 -1.041 1.00 9.49 C ATOM 0 H ILE A 36 -9.046 -4.364 -4.943 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.187 -2.610 -4.248 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.360 -2.610 -3.224 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.848 -3.750 -1.901 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.806 -4.738 -2.905 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.243 -1.351 -1.314 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.423 -0.473 -2.851 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.833 -1.265 -2.108 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.229 -5.010 -0.509 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.873 -4.265 -1.389 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.932 -3.261 -0.369 1.00 9.49 H new ATOM 582 N PRO A 37 -10.403 -0.636 -5.772 1.00 8.65 N ATOM 583 CA PRO A 37 -10.008 0.575 -6.427 1.00 9.18 C ATOM 584 C PRO A 37 -8.830 1.372 -5.743 1.00 9.85 C ATOM 585 O PRO A 37 -8.794 1.374 -4.520 1.00 8.51 O ATOM 586 CB PRO A 37 -11.367 1.404 -6.392 1.00 11.42 C ATOM 587 CG PRO A 37 -12.457 0.354 -6.412 1.00 9.27 C ATOM 588 CD PRO A 37 -11.846 -0.738 -5.571 1.00 8.33 C ATOM 0 HA PRO A 37 -9.593 0.380 -7.416 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.430 2.024 -5.497 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.445 2.073 -7.249 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.390 0.724 -5.987 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.680 0.015 -7.424 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.104 -0.612 -4.519 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.215 -1.718 -5.875 1.00 8.33 H new ATOM 596 N PRO A 38 -7.876 2.078 -6.382 1.00 8.71 N ATOM 597 CA PRO A 38 -6.896 2.923 -5.677 1.00 9.08 C ATOM 598 C PRO A 38 -7.532 4.000 -4.869 1.00 9.28 C ATOM 599 O PRO A 38 -7.025 4.354 -3.804 1.00 6.50 O ATOM 600 CB PRO A 38 -6.093 3.480 -6.824 1.00 10.31 C ATOM 601 CG PRO A 38 -6.055 2.342 -7.869 1.00 10.81 C ATOM 602 CD PRO A 38 -7.381 1.653 -7.709 1.00 12.00 C ATOM 0 HA PRO A 38 -6.306 2.375 -4.942 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.557 4.377 -7.233 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.088 3.758 -6.505 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.928 2.732 -8.879 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.226 1.659 -7.684 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.074 1.942 -8.500 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.272 0.570 -7.761 1.00 12.00 H new ATOM 610 N ASP A 39 -8.633 4.606 -5.296 1.00 11.20 N ATOM 611 CA ASP A 39 -9.269 5.705 -4.580 1.00 14.96 C ATOM 612 C ASP A 39 -9.980 5.190 -3.379 1.00 13.99 C ATOM 613 O ASP A 39 -10.531 5.984 -2.591 1.00 13.75 O ATOM 614 CB ASP A 39 -10.289 6.442 -5.464 1.00 24.16 C ATOM 615 CG ASP A 39 -9.461 7.321 -6.449 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.664 8.133 -6.019 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.657 7.135 -7.644 1.00 34.22 O ATOM 0 H ASP A 39 -9.114 4.346 -6.157 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.480 6.400 -4.291 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.915 5.734 -6.007 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.954 7.058 -4.859 1.00 24.16 H new ATOM 622 N GLN A 40 -10.008 3.845 -3.096 1.00 11.60 N ATOM 623 CA GLN A 40 -10.615 3.284 -1.914 1.00 10.76 C ATOM 624 C GLN A 40 -9.575 2.786 -0.974 1.00 8.01 C ATOM 625 O GLN A 40 -9.918 2.014 -0.062 1.00 8.96 O ATOM 626 CB GLN A 40 -11.570 2.219 -2.285 1.00 11.14 C ATOM 627 CG GLN A 40 -12.775 2.864 -3.025 1.00 14.85 C ATOM 628 CD GLN A 40 -14.043 2.019 -2.972 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.479 1.492 -4.008 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.710 1.936 -1.788 1.00 18.16 N ATOM 0 H GLN A 40 -9.596 3.143 -3.711 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.171 4.067 -1.399 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.084 1.482 -2.925 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.912 1.692 -1.395 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.980 3.841 -2.587 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.503 3.033 -4.067 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.326 2.380 -0.954 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.594 1.430 -1.735 1.00 18.16 H new ATOM 639 N GLN A 41 -8.348 3.244 -1.095 1.00 6.52 N ATOM 640 CA GLN A 41 -7.223 2.699 -0.376 1.00 3.87 C ATOM 641 C GLN A 41 -6.403 3.750 0.372 1.00 4.79 C ATOM 642 O GLN A 41 -5.752 4.615 -0.226 1.00 6.34 O ATOM 643 CB GLN A 41 -6.249 1.936 -1.288 1.00 4.20 C ATOM 644 CG GLN A 41 -6.760 0.609 -1.901 1.00 3.20 C ATOM 645 CD GLN A 41 -5.702 -0.107 -2.695 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.674 -0.580 -2.214 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.879 -0.306 -4.015 1.00 7.13 N ATOM 0 H GLN A 41 -8.102 4.021 -1.709 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.687 2.022 0.341 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.959 2.598 -2.104 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.346 1.721 -0.716 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.113 -0.043 -1.102 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.615 0.816 -2.545 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.711 0.060 -4.479 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.182 -0.822 -4.551 1.00 7.13 H new ATOM 656 N ARG A 42 -6.385 3.620 1.727 1.00 5.73 N ATOM 657 CA ARG A 42 -5.360 4.176 2.568 1.00 6.97 C ATOM 658 C ARG A 42 -4.353 3.184 2.914 1.00 7.15 C ATOM 659 O ARG A 42 -4.683 2.074 3.362 1.00 7.33 O ATOM 660 CB ARG A 42 -5.879 4.816 3.840 1.00 13.23 C ATOM 661 CG ARG A 42 -6.694 6.079 3.497 1.00 21.27 C ATOM 662 CD ARG A 42 -7.256 6.745 4.740 1.00 26.14 C ATOM 663 NE ARG A 42 -7.658 8.140 4.408 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.723 8.717 4.958 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.195 8.306 6.100 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.280 9.815 4.459 1.00 36.39 N ATOM 0 H ARG A 42 -7.104 3.114 2.244 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.915 4.968 1.965 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.502 4.108 4.386 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.046 5.076 4.493 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.060 6.786 2.962 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.511 5.813 2.827 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.114 6.185 5.111 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.510 6.748 5.535 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.100 8.669 3.738 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.747 7.530 6.587 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.013 8.760 6.507 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.891 10.249 3.622 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.096 10.224 4.913 1.00 36.39 H new ATOM 680 N LEU A 43 -3.080 3.520 2.663 1.00 4.65 N ATOM 681 CA LEU A 43 -2.039 2.626 2.911 1.00 3.51 C ATOM 682 C LEU A 43 -1.211 3.287 4.004 1.00 5.56 C ATOM 683 O LEU A 43 -0.969 4.487 3.935 1.00 4.19 O ATOM 684 CB LEU A 43 -1.196 2.334 1.619 1.00 3.74 C ATOM 685 CG LEU A 43 -1.640 1.197 0.651 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.516 0.922 -0.356 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.071 -0.041 1.394 1.00 6.41 C ATOM 0 H LEU A 43 -2.787 4.421 2.286 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.407 1.648 3.222 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.155 3.257 1.041 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.177 2.112 1.937 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.522 1.524 0.099 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.823 0.127 -1.035 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.309 1.827 -0.927 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.384 0.616 0.178 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.372 -0.808 0.680 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.241 -0.412 1.996 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.912 0.199 2.045 1.00 6.41 H new ATOM 699 N ILE A 44 -0.882 2.523 5.023 1.00 4.58 N ATOM 700 CA ILE A 44 -0.221 2.997 6.224 1.00 5.55 C ATOM 701 C ILE A 44 1.111 2.231 6.383 1.00 5.46 C ATOM 702 O ILE A 44 1.145 0.991 6.201 1.00 6.04 O ATOM 703 CB ILE A 44 -1.097 2.916 7.459 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.603 3.320 7.312 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.421 3.672 8.562 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.942 4.787 7.040 1.00 13.90 C ATOM 0 H ILE A 44 -1.073 1.521 5.041 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.013 4.061 6.115 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.185 1.853 7.683 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.028 2.726 6.503 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.116 3.025 8.227 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.034 3.628 9.462 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.553 3.227 8.764 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.290 4.712 8.263 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.023 4.903 6.965 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.567 5.404 7.856 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.478 5.100 6.105 1.00 13.90 H new ATOM 718 N PHE A 45 2.257 2.905 6.691 1.00 6.75 N ATOM 719 CA PHE A 45 3.519 2.328 7.116 1.00 4.70 C ATOM 720 C PHE A 45 3.957 2.919 8.499 1.00 6.34 C ATOM 721 O PHE A 45 4.336 4.100 8.573 1.00 5.45 O ATOM 722 CB PHE A 45 4.548 2.672 6.009 1.00 5.51 C ATOM 723 CG PHE A 45 5.901 2.013 6.203 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.025 0.628 6.424 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.071 2.848 6.180 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.318 0.128 6.584 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.311 2.238 6.299 1.00 6.64 C ATOM 728 CZ PHE A 45 8.443 0.900 6.442 1.00 6.84 C ATOM 0 H PHE A 45 2.302 3.923 6.639 1.00 6.75 H new ATOM 0 HA PHE A 45 3.439 1.249 7.250 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.143 2.370 5.043 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.683 3.753 5.975 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.160 -0.017 6.468 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.987 3.919 6.073 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.439 -0.916 6.831 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.200 2.851 6.277 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.422 0.445 6.444 1.00 6.84 H new ATOM 738 N ALA A 46 3.976 2.109 9.555 1.00 6.53 N ATOM 739 CA ALA A 46 4.546 2.423 10.910 1.00 7.15 C ATOM 740 C ALA A 46 3.996 3.731 11.450 1.00 9.00 C ATOM 741 O ALA A 46 4.691 4.622 11.979 1.00 11.15 O ATOM 742 CB ALA A 46 6.112 2.408 10.922 1.00 8.99 C ATOM 0 H ALA A 46 3.583 1.169 9.512 1.00 6.53 H new ATOM 0 HA ALA A 46 4.225 1.624 11.578 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.470 2.641 11.925 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.469 1.420 10.630 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.488 3.152 10.220 1.00 8.99 H new ATOM 748 N GLY A 47 2.658 3.881 11.285 1.00 9.35 N ATOM 749 CA GLY A 47 1.761 5.026 11.623 1.00 11.68 C ATOM 750 C GLY A 47 1.805 6.182 10.709 1.00 11.14 C ATOM 751 O GLY A 47 1.264 7.239 10.963 1.00 13.93 O ATOM 0 H GLY A 47 2.118 3.123 10.867 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.736 4.658 11.660 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.012 5.373 12.626 1.00 11.68 H new ATOM 755 N LYS A 48 2.571 6.106 9.627 1.00 10.47 N ATOM 756 CA LYS A 48 2.572 7.017 8.512 1.00 8.82 C ATOM 757 C LYS A 48 1.654 6.687 7.381 1.00 7.68 C ATOM 758 O LYS A 48 1.610 5.555 6.959 1.00 6.47 O ATOM 759 CB LYS A 48 3.976 7.192 7.982 1.00 9.74 C ATOM 760 CG LYS A 48 4.215 8.400 6.967 1.00 14.14 C ATOM 761 CD LYS A 48 4.225 9.782 7.597 1.00 16.32 C ATOM 762 CE LYS A 48 5.484 10.090 8.408 1.00 20.04 C ATOM 763 NZ LYS A 48 5.340 11.342 9.062 1.00 23.92 N ATOM 0 H LYS A 48 3.249 5.353 9.507 1.00 10.47 H new ATOM 0 HA LYS A 48 2.178 7.943 8.931 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.646 7.324 8.831 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.270 6.267 7.485 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.166 8.243 6.458 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.437 8.372 6.204 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.121 10.529 6.810 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.355 9.880 8.246 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.656 9.303 9.143 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.354 10.110 7.752 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.198 11.547 9.612 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.196 12.089 8.353 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.520 11.308 9.700 1.00 23.92 H new ATOM 777 N GLN A 49 0.830 7.707 7.013 1.00 8.89 N ATOM 778 CA GLN A 49 -0.055 7.687 5.810 1.00 7.18 C ATOM 779 C GLN A 49 0.774 7.844 4.496 1.00 8.23 C ATOM 780 O GLN A 49 1.597 8.759 4.418 1.00 9.70 O ATOM 781 CB GLN A 49 -1.116 8.795 5.953 1.00 11.67 C ATOM 782 CG GLN A 49 -2.321 8.725 4.941 1.00 15.82 C ATOM 783 CD GLN A 49 -3.280 9.889 5.009 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.207 9.840 5.767 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.995 10.893 4.192 1.00 20.67 N ATOM 0 H GLN A 49 0.760 8.574 7.546 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.558 6.722 5.744 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.515 8.761 6.967 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.624 9.761 5.836 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.922 8.661 3.929 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.876 7.805 5.124 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.179 10.839 3.582 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.592 11.720 4.173 1.00 20.67 H new ATOM 794 N LEU A 50 0.673 6.893 3.470 1.00 6.51 N ATOM 795 CA LEU A 50 1.428 6.935 2.223 1.00 7.41 C ATOM 796 C LEU A 50 0.722 7.714 1.132 1.00 8.27 C ATOM 797 O LEU A 50 -0.455 7.443 0.839 1.00 8.34 O ATOM 798 CB LEU A 50 1.735 5.572 1.714 1.00 7.13 C ATOM 799 CG LEU A 50 2.531 4.618 2.659 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.822 3.260 2.043 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.819 5.198 3.257 1.00 9.11 C ATOM 0 H LEU A 50 0.049 6.089 3.530 1.00 6.51 H new ATOM 0 HA LEU A 50 2.356 7.450 2.471 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.793 5.086 1.460 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.299 5.677 0.787 1.00 7.13 H new ATOM 0 HG LEU A 50 1.835 4.491 3.488 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.377 2.649 2.755 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.883 2.765 1.794 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.414 3.391 1.137 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.291 4.452 3.896 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.502 5.472 2.453 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.580 6.083 3.847 1.00 9.11 H new ATOM 813 N GLU A 51 1.414 8.654 0.455 1.00 9.43 N ATOM 814 CA GLU A 51 0.911 9.575 -0.605 1.00 11.90 C ATOM 815 C GLU A 51 1.264 9.050 -1.980 1.00 11.49 C ATOM 816 O GLU A 51 2.423 8.721 -2.252 1.00 9.88 O ATOM 817 CB GLU A 51 1.632 10.983 -0.414 1.00 16.56 C ATOM 818 CG GLU A 51 1.166 12.070 -1.403 1.00 26.06 C ATOM 819 CD GLU A 51 1.628 13.504 -1.212 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.824 13.818 -1.510 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.805 14.349 -0.796 1.00 33.44 O ATOM 0 H GLU A 51 2.405 8.806 0.641 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.173 9.660 -0.522 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.457 11.334 0.603 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.708 10.846 -0.523 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.475 11.758 -2.401 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.076 12.074 -1.394 1.00 26.06 H new ATOM 828 N ASP A 52 0.327 8.860 -2.867 1.00 12.71 N ATOM 829 CA ASP A 52 0.379 8.088 -4.065 1.00 16.56 C ATOM 830 C ASP A 52 1.466 8.460 -5.127 1.00 15.83 C ATOM 831 O ASP A 52 1.975 7.566 -5.809 1.00 17.21 O ATOM 832 CB ASP A 52 -1.026 8.234 -4.733 1.00 21.05 C ATOM 833 CG ASP A 52 -2.193 7.976 -3.717 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.544 6.800 -3.547 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.731 8.983 -3.156 1.00 28.37 O ATOM 0 H ASP A 52 -0.589 9.292 -2.749 1.00 12.71 H new ATOM 0 HA ASP A 52 0.657 7.080 -3.757 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.125 9.235 -5.152 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.107 7.532 -5.563 1.00 21.05 H new ATOM 840 N GLY A 53 1.883 9.754 -5.213 1.00 15.00 N ATOM 841 CA GLY A 53 2.913 10.253 -6.091 1.00 11.77 C ATOM 842 C GLY A 53 4.302 10.010 -5.612 1.00 11.10 C ATOM 843 O GLY A 53 5.246 10.309 -6.390 1.00 11.25 O ATOM 0 H GLY A 53 1.475 10.489 -4.635 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.794 9.790 -7.071 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.771 11.325 -6.225 1.00 11.77 H new ATOM 847 N ARG A 54 4.492 9.491 -4.353 1.00 8.53 N ATOM 848 CA ARG A 54 5.730 9.169 -3.730 1.00 9.05 C ATOM 849 C ARG A 54 6.142 7.758 -4.076 1.00 8.96 C ATOM 850 O ARG A 54 5.331 6.990 -4.572 1.00 11.60 O ATOM 851 CB ARG A 54 5.687 9.430 -2.205 1.00 7.97 C ATOM 852 CG ARG A 54 5.138 10.854 -1.847 1.00 9.62 C ATOM 853 CD ARG A 54 6.127 11.984 -2.240 1.00 12.20 C ATOM 854 NE ARG A 54 5.396 13.302 -2.279 1.00 18.23 N ATOM 855 CZ ARG A 54 5.823 14.454 -2.770 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.000 14.554 -3.321 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.022 15.528 -2.714 1.00 23.38 N ATOM 0 H ARG A 54 3.700 9.290 -3.743 1.00 8.53 H new ATOM 0 HA ARG A 54 6.500 9.833 -4.122 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.062 8.675 -1.729 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.690 9.319 -1.794 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.188 11.013 -2.356 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.938 10.905 -0.777 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.946 12.031 -1.522 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.569 11.772 -3.214 1.00 12.20 H new ATOM 0 HE ARG A 54 4.458 13.306 -1.878 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.607 13.737 -3.379 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.314 15.450 -3.695 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.095 15.451 -2.296 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.340 16.422 -3.089 1.00 23.38 H new ATOM 871 N THR A 55 7.444 7.457 -3.800 1.00 9.05 N ATOM 872 CA THR A 55 7.939 6.102 -4.077 1.00 9.03 C ATOM 873 C THR A 55 8.026 5.360 -2.782 1.00 8.15 C ATOM 874 O THR A 55 7.746 5.878 -1.695 1.00 5.91 O ATOM 875 CB THR A 55 9.152 6.004 -5.003 1.00 11.15 C ATOM 876 OG1 THR A 55 10.321 6.549 -4.397 1.00 11.95 O ATOM 877 CG2 THR A 55 8.797 6.775 -6.322 1.00 11.71 C ATOM 0 H THR A 55 8.127 8.104 -3.407 1.00 9.05 H new ATOM 0 HA THR A 55 7.214 5.591 -4.710 1.00 9.03 H new ATOM 0 HB THR A 55 9.374 4.958 -5.215 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.151 7.478 -4.136 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.641 6.727 -7.010 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.924 6.318 -6.787 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.579 7.817 -6.087 1.00 11.71 H new ATOM 885 N LEU A 56 8.357 4.016 -2.809 1.00 6.91 N ATOM 886 CA LEU A 56 8.718 3.136 -1.688 1.00 8.29 C ATOM 887 C LEU A 56 9.982 3.649 -0.983 1.00 8.05 C ATOM 888 O LEU A 56 10.050 3.708 0.256 1.00 10.17 O ATOM 889 CB LEU A 56 8.953 1.679 -2.087 1.00 6.60 C ATOM 890 CG LEU A 56 7.658 0.914 -2.202 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.882 1.124 -3.530 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.017 -0.620 -2.208 1.00 8.64 C ATOM 0 H LEU A 56 8.372 3.507 -3.693 1.00 6.91 H new ATOM 0 HA LEU A 56 7.855 3.160 -1.022 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.482 1.644 -3.039 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.595 1.199 -1.348 1.00 6.60 H new ATOM 0 HG LEU A 56 7.039 1.264 -1.376 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.967 0.532 -3.514 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.630 2.179 -3.641 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.503 0.809 -4.368 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.102 -1.207 -2.290 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.666 -0.838 -3.056 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.531 -0.877 -1.282 1.00 8.64 H new ATOM 904 N SER A 57 11.040 4.102 -1.749 1.00 8.92 N ATOM 905 CA SER A 57 12.272 4.741 -1.303 1.00 9.00 C ATOM 906 C SER A 57 12.095 5.941 -0.486 1.00 9.44 C ATOM 907 O SER A 57 12.794 6.197 0.484 1.00 10.91 O ATOM 908 CB SER A 57 13.150 5.218 -2.621 1.00 10.32 C ATOM 909 OG SER A 57 14.381 5.833 -2.247 1.00 13.59 O ATOM 0 H SER A 57 11.020 4.008 -2.764 1.00 8.92 H new ATOM 0 HA SER A 57 12.763 3.985 -0.690 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.354 4.354 -3.253 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.561 5.917 -3.216 1.00 10.32 H new ATOM 0 HG SER A 57 14.872 6.099 -3.052 1.00 13.59 H new ATOM 915 N ASP A 58 11.189 6.879 -0.794 1.00 9.11 N ATOM 916 CA ASP A 58 10.983 8.109 -0.063 1.00 7.91 C ATOM 917 C ASP A 58 10.492 7.882 1.326 1.00 9.12 C ATOM 918 O ASP A 58 10.739 8.626 2.278 1.00 8.61 O ATOM 919 CB ASP A 58 9.816 8.897 -0.759 1.00 8.41 C ATOM 920 CG ASP A 58 10.230 9.312 -2.102 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.016 10.309 -2.225 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.826 8.658 -3.072 1.00 11.70 O ATOM 0 H ASP A 58 10.562 6.786 -1.593 1.00 9.11 H new ATOM 0 HA ASP A 58 11.942 8.626 -0.046 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.927 8.270 -0.820 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.549 9.771 -0.164 1.00 8.41 H new ATOM 927 N TYR A 59 9.801 6.785 1.488 1.00 7.97 N ATOM 928 CA TYR A 59 9.147 6.505 2.756 1.00 8.45 C ATOM 929 C TYR A 59 9.860 5.441 3.517 1.00 10.98 C ATOM 930 O TYR A 59 9.380 5.053 4.604 1.00 12.95 O ATOM 931 CB TYR A 59 7.662 6.010 2.452 1.00 7.94 C ATOM 932 CG TYR A 59 6.850 7.270 2.341 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.767 8.253 3.385 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.015 7.441 1.257 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.704 9.216 3.429 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.978 8.369 1.269 1.00 6.52 C ATOM 937 CZ TYR A 59 4.789 9.217 2.356 1.00 6.76 C ATOM 938 OH TYR A 59 3.667 10.052 2.491 1.00 7.63 O ATOM 0 H TYR A 59 9.672 6.072 0.771 1.00 7.97 H new ATOM 0 HA TYR A 59 9.150 7.413 3.359 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.620 5.430 1.530 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.288 5.368 3.250 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.523 8.268 4.156 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.170 6.838 0.374 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.609 9.911 4.250 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.310 8.432 0.422 1.00 6.52 H new ATOM 0 HH TYR A 59 3.021 9.636 3.099 1.00 7.63 H new ATOM 948 N ASN A 60 11.026 4.978 3.051 1.00 12.38 N ATOM 949 CA ASN A 60 11.916 3.866 3.552 1.00 13.94 C ATOM 950 C ASN A 60 11.115 2.531 3.765 1.00 14.16 C ATOM 951 O ASN A 60 11.215 1.832 4.793 1.00 14.26 O ATOM 952 CB ASN A 60 12.833 4.169 4.749 1.00 19.23 C ATOM 953 CG ASN A 60 13.494 5.503 4.568 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.197 6.424 5.359 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.311 5.673 3.493 1.00 24.09 N ATOM 0 H ASN A 60 11.435 5.406 2.221 1.00 12.38 H new ATOM 0 HA ASN A 60 12.625 3.748 2.732 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.253 4.164 5.672 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.589 3.390 4.844 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.715 6.589 3.300 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.519 4.884 2.881 1.00 24.09 H new ATOM 962 N ILE A 61 10.360 2.106 2.698 1.00 11.08 N ATOM 963 CA ILE A 61 9.634 0.857 2.715 1.00 11.78 C ATOM 964 C ILE A 61 10.629 -0.135 2.085 1.00 13.74 C ATOM 965 O ILE A 61 11.195 0.163 1.042 1.00 14.60 O ATOM 966 CB ILE A 61 8.307 0.885 1.967 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.442 1.955 2.538 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.605 -0.441 2.135 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.212 2.357 1.664 1.00 11.42 C ATOM 0 H ILE A 61 10.260 2.634 1.831 1.00 11.08 H new ATOM 0 HA ILE A 61 9.326 0.592 3.727 1.00 11.78 H new ATOM 0 HB ILE A 61 8.494 1.076 0.910 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.082 1.627 3.513 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.053 2.842 2.706 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.656 -0.421 1.600 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.231 -1.238 1.733 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.421 -0.624 3.194 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.648 3.142 2.168 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.557 2.722 0.697 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.571 1.488 1.516 1.00 11.42 H new ATOM 981 N GLN A 62 10.849 -1.290 2.714 1.00 13.97 N ATOM 982 CA GLN A 62 11.972 -2.129 2.445 1.00 15.52 C ATOM 983 C GLN A 62 11.556 -3.607 2.217 1.00 13.94 C ATOM 984 O GLN A 62 10.372 -3.935 2.432 1.00 12.15 O ATOM 985 CB GLN A 62 12.896 -2.143 3.677 1.00 19.53 C ATOM 986 CG GLN A 62 13.772 -0.859 3.935 1.00 26.38 C ATOM 987 CD GLN A 62 14.697 -0.913 5.211 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.626 -0.135 5.358 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.417 -1.898 6.131 1.00 32.71 N ATOM 0 H GLN A 62 10.228 -1.658 3.435 1.00 13.97 H new ATOM 0 HA GLN A 62 12.455 -1.733 1.552 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.280 -2.314 4.560 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.567 -2.997 3.586 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.399 -0.687 3.060 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.108 0.000 4.025 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.633 -2.532 5.977 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.994 -1.994 6.967 1.00 32.71 H new ATOM 998 N LYS A 63 12.457 -4.542 1.887 1.00 11.73 N ATOM 999 CA LYS A 63 12.212 -5.950 1.776 1.00 11.97 C ATOM 1000 C LYS A 63 11.744 -6.629 3.031 1.00 10.41 C ATOM 1001 O LYS A 63 12.215 -6.377 4.138 1.00 9.59 O ATOM 1002 CB LYS A 63 13.347 -6.645 1.039 1.00 13.73 C ATOM 1003 CG LYS A 63 14.589 -6.952 1.896 1.00 16.98 C ATOM 1004 CD LYS A 63 15.674 -7.708 1.140 1.00 20.19 C ATOM 1005 CE LYS A 63 16.880 -8.222 2.049 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.898 -8.895 1.282 1.00 25.97 N ATOM 0 H LYS A 63 13.427 -4.301 1.682 1.00 11.73 H new ATOM 0 HA LYS A 63 11.327 -6.057 1.149 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.971 -7.580 0.623 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.650 -6.021 0.198 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.003 -6.016 2.271 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.286 -7.537 2.764 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.221 -8.565 0.641 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.074 -7.060 0.360 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.324 -7.375 2.572 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.494 -8.900 2.810 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.659 -9.210 1.917 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.483 -9.720 0.803 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.287 -8.242 0.572 1.00 25.97 H new ATOM 1020 N GLU A 64 10.700 -7.452 2.928 1.00 10.04 N ATOM 1021 CA GLU A 64 9.873 -8.098 3.870 1.00 10.94 C ATOM 1022 C GLU A 64 9.413 -7.063 4.978 1.00 9.74 C ATOM 1023 O GLU A 64 9.294 -7.394 6.198 1.00 9.42 O ATOM 1024 CB GLU A 64 10.661 -9.349 4.287 1.00 18.31 C ATOM 1025 CG GLU A 64 10.862 -10.364 3.195 1.00 24.16 C ATOM 1026 CD GLU A 64 11.392 -11.615 3.835 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.513 -11.562 4.359 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.735 -12.696 3.757 1.00 32.61 O ATOM 0 H GLU A 64 10.386 -7.705 1.991 1.00 10.04 H new ATOM 0 HA GLU A 64 8.908 -8.452 3.509 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.637 -9.038 4.659 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.142 -9.828 5.117 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.922 -10.565 2.680 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.561 -9.990 2.447 1.00 24.16 H new ATOM 1035 N SER A 65 8.945 -5.903 4.530 1.00 6.85 N ATOM 1036 CA SER A 65 8.177 -4.927 5.324 1.00 6.90 C ATOM 1037 C SER A 65 6.682 -5.153 5.291 1.00 4.72 C ATOM 1038 O SER A 65 6.204 -5.718 4.320 1.00 3.91 O ATOM 1039 CB SER A 65 8.260 -3.424 4.799 1.00 7.28 C ATOM 1040 OG SER A 65 9.602 -3.003 4.825 1.00 10.56 O ATOM 0 H SER A 65 9.091 -5.597 3.568 1.00 6.85 H new ATOM 0 HA SER A 65 8.634 -5.071 6.303 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.864 -3.357 3.786 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.649 -2.773 5.424 1.00 7.28 H new ATOM 0 HG SER A 65 10.115 -3.504 4.157 1.00 10.56 H new ATOM 1046 N THR A 66 6.011 -4.752 6.359 1.00 4.48 N ATOM 1047 CA THR A 66 4.601 -4.909 6.587 1.00 3.80 C ATOM 1048 C THR A 66 3.970 -3.544 6.590 1.00 4.60 C ATOM 1049 O THR A 66 4.328 -2.657 7.346 1.00 5.33 O ATOM 1050 CB THR A 66 4.205 -5.713 7.778 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.744 -7.000 7.740 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.736 -5.818 7.900 1.00 3.40 C ATOM 0 H THR A 66 6.476 -4.279 7.134 1.00 4.48 H new ATOM 0 HA THR A 66 4.223 -5.519 5.767 1.00 3.80 H new ATOM 0 HB THR A 66 4.604 -5.185 8.644 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.464 -7.496 8.538 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.485 -6.411 8.780 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.307 -4.821 8.000 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.330 -6.299 7.010 1.00 3.40 H new ATOM 1060 N LEU A 67 2.978 -3.333 5.678 1.00 4.17 N ATOM 1061 CA LEU A 67 2.176 -2.135 5.570 1.00 3.85 C ATOM 1062 C LEU A 67 0.732 -2.562 6.021 1.00 3.80 C ATOM 1063 O LEU A 67 0.461 -3.767 6.123 1.00 5.54 O ATOM 1064 CB LEU A 67 2.153 -1.517 4.171 1.00 7.18 C ATOM 1065 CG LEU A 67 3.538 -1.010 3.582 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.615 -2.123 3.540 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.273 -0.555 2.187 1.00 11.66 C ATOM 0 H LEU A 67 2.726 -4.036 4.983 1.00 4.17 H new ATOM 0 HA LEU A 67 2.603 -1.350 6.194 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.742 -2.255 3.482 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.462 -0.674 4.185 1.00 7.18 H new ATOM 0 HG LEU A 67 3.922 -0.217 4.223 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.540 -1.719 3.129 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.797 -2.491 4.550 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.266 -2.943 2.912 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.200 -0.196 1.739 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.885 -1.388 1.600 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.540 0.252 2.200 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.154 -1.597 6.295 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.496 -1.813 6.681 1.00 4.17 C ATOM 1081 C HIS A 68 -2.364 -1.106 5.731 1.00 5.32 C ATOM 1082 O HIS A 68 -2.045 -0.041 5.215 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.822 -1.285 8.127 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.596 -1.559 8.991 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.426 -0.711 9.245 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.284 -2.785 9.500 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.331 -1.385 9.970 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.959 -2.647 10.181 1.00 16.30 N ATOM 0 H HIS A 68 0.087 -0.607 6.242 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.664 -2.890 6.682 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -2.048 -0.219 8.106 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.699 -1.789 8.532 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.868 -3.688 9.405 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.251 -0.956 10.339 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.457 -3.360 10.715 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.599 -1.615 5.454 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.477 -1.019 4.463 1.00 3.97 C ATOM 1098 C LEU A 69 -5.773 -0.713 5.198 1.00 5.07 C ATOM 1099 O LEU A 69 -6.337 -1.498 5.972 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.651 -2.099 3.378 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.837 -2.015 2.377 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.833 -0.677 1.575 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.790 -3.193 1.406 1.00 9.96 C ATOM 0 H LEU A 69 -3.988 -2.437 5.915 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.114 -0.102 3.998 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.733 -2.119 2.791 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.725 -3.060 3.887 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.757 -2.052 2.961 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.679 -0.662 0.888 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.912 0.162 2.266 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.905 -0.595 1.009 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.626 -3.124 0.709 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.852 -3.170 0.851 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.859 -4.127 1.964 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.265 0.519 4.961 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.589 0.969 5.450 1.00 6.26 C ATOM 1117 C VAL A 70 -8.395 1.258 4.252 1.00 9.22 C ATOM 1118 O VAL A 70 -8.084 2.147 3.452 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.641 2.166 6.438 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -9.118 2.181 6.959 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.555 2.160 7.453 1.00 8.54 C ATOM 0 H VAL A 70 -5.761 1.229 4.429 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.971 0.158 6.070 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.417 3.122 5.964 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -9.246 3.000 7.667 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.799 2.318 6.119 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.339 1.236 7.454 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.661 3.027 8.105 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.618 1.249 8.048 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.588 2.199 6.951 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.445 0.460 4.060 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.509 0.795 3.133 1.00 16.06 C ATOM 1133 C LEU A 71 -11.181 2.220 3.282 1.00 18.09 C ATOM 1134 O LEU A 71 -11.358 2.626 4.418 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.558 -0.335 3.131 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.426 -0.476 1.898 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.593 -0.920 0.710 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.481 -1.490 2.226 1.00 19.57 C ATOM 0 H LEU A 71 -9.576 -0.429 4.542 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.017 0.879 2.164 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.036 -1.279 3.286 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.213 -0.188 3.990 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.881 0.476 1.626 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.233 -1.016 -0.167 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.816 -0.181 0.514 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.131 -1.882 0.929 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.134 -1.627 1.364 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.008 -2.439 2.477 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.069 -1.142 3.075 1.00 19.57 H new