USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 7 THR OG1 : rot 180:sc= 0.133 USER MOD Set 1.2: A 9 THR OG1 : rot -24:sc= 0.132 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 167:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 168:sc= 0.993 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.192) USER MOD Single : A 1 MET N :NH3+ -151:sc= 2.25 (180deg=2.16) USER MOD Single : A 2 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.032) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.15 (180deg=-0.891!) USER MOD Single : A 14 THR OG1 : rot -91:sc= 0.172 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0.142 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 1.54 (180deg=1.02) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00224 K(o=-0.0022,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= -0.159 K(o=-0.16,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00319) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.785 USER MOD Single : A 60 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.9) USER MOD Single : A 62 GLN : amide:sc= -0.67 K(o=-0.67,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.04) USER MOD Single : A 65 SER OG : rot 63:sc= 0.867 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=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.233 -7.260 -4.842 1.00 9.67 N ATOM 2 CA MET A 1 11.212 -7.044 -3.339 1.00 10.38 C ATOM 3 C MET A 1 9.766 -7.351 -2.791 1.00 9.62 C ATOM 4 O MET A 1 8.783 -6.954 -3.360 1.00 9.62 O ATOM 5 CB MET A 1 11.770 -5.635 -3.004 1.00 13.77 C ATOM 6 CG MET A 1 11.841 -5.316 -1.492 1.00 16.29 C ATOM 7 SD MET A 1 12.493 -3.680 -1.118 1.00 17.17 S ATOM 8 CE MET A 1 10.993 -2.614 -1.274 1.00 16.11 C ATOM 0 H1 MET A 1 12.188 -7.545 -5.138 1.00 9.67 H new ATOM 0 H2 MET A 1 10.555 -8.007 -5.095 1.00 9.67 H new ATOM 0 H3 MET A 1 10.970 -6.376 -5.323 1.00 9.67 H new ATOM 0 HA MET A 1 11.873 -7.738 -2.821 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.770 -5.543 -3.429 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.146 -4.886 -3.492 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.842 -5.404 -1.065 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.464 -6.065 -1.002 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.287 -1.565 -1.244 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.494 -2.824 -2.220 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.311 -2.823 -0.450 1.00 16.11 H new ATOM 20 N GLN A 2 9.639 -8.065 -1.680 1.00 9.27 N ATOM 21 CA GLN A 2 8.383 -8.594 -1.228 1.00 9.07 C ATOM 22 C GLN A 2 7.951 -7.656 -0.124 1.00 8.72 C ATOM 23 O GLN A 2 8.796 -7.163 0.634 1.00 8.22 O ATOM 24 CB GLN A 2 8.576 -10.020 -0.646 1.00 14.46 C ATOM 25 CG GLN A 2 7.280 -10.659 -0.046 1.00 17.01 C ATOM 26 CD GLN A 2 7.392 -12.204 0.010 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.713 -12.771 1.055 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.286 -12.822 -1.203 1.00 19.49 N ATOM 0 H GLN A 2 10.423 -8.289 -1.068 1.00 9.27 H new ATOM 0 HA GLN A 2 7.654 -8.666 -2.035 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.956 -10.671 -1.433 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.339 -9.981 0.131 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.109 -10.267 0.957 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.418 -10.376 -0.650 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.014 -12.285 -2.027 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.479 -13.820 -1.285 1.00 19.49 H new ATOM 37 N ILE A 3 6.655 -7.389 0.059 1.00 5.87 N ATOM 38 CA ILE A 3 6.121 -6.570 1.168 1.00 5.07 C ATOM 39 C ILE A 3 4.801 -7.278 1.534 1.00 4.01 C ATOM 40 O ILE A 3 4.197 -8.027 0.732 1.00 4.61 O ATOM 41 CB ILE A 3 5.829 -5.077 0.976 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.982 -4.929 -0.320 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.150 -4.306 0.964 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.792 -3.438 -0.652 1.00 10.83 C ATOM 0 H ILE A 3 5.929 -7.739 -0.566 1.00 5.87 H new ATOM 0 HA ILE A 3 6.918 -6.524 1.910 1.00 5.07 H new ATOM 0 HB ILE A 3 5.248 -4.650 1.793 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.477 -5.435 -1.149 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.012 -5.408 -0.188 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.950 -3.243 0.828 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.669 -4.459 1.910 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.774 -4.666 0.146 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.198 -3.340 -1.561 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.278 -2.944 0.173 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.766 -2.972 -0.803 1.00 10.83 H new ATOM 56 N PHE A 4 4.336 -7.081 2.764 1.00 4.55 N ATOM 57 CA PHE A 4 3.090 -7.620 3.266 1.00 4.68 C ATOM 58 C PHE A 4 2.100 -6.480 3.446 1.00 5.30 C ATOM 59 O PHE A 4 2.419 -5.431 3.925 1.00 5.58 O ATOM 60 CB PHE A 4 3.317 -8.381 4.616 1.00 4.83 C ATOM 61 CG PHE A 4 4.397 -9.510 4.433 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.174 -10.573 3.567 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.528 -9.527 5.255 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.068 -11.652 3.580 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.439 -10.646 5.322 1.00 10.61 C ATOM 66 CZ PHE A 4 6.121 -11.710 4.489 1.00 8.90 C ATOM 0 H PHE A 4 4.837 -6.523 3.456 1.00 4.55 H new ATOM 0 HA PHE A 4 2.690 -8.338 2.551 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.641 -7.681 5.386 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.379 -8.818 4.957 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.328 -10.568 2.896 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.730 -8.662 5.869 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.937 -12.455 2.870 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.302 -10.654 5.971 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.710 -12.613 4.548 1.00 8.90 H new ATOM 76 N VAL A 5 0.897 -6.706 3.000 1.00 4.44 N ATOM 77 CA VAL A 5 -0.227 -5.818 3.142 1.00 3.87 C ATOM 78 C VAL A 5 -1.265 -6.451 4.073 1.00 4.93 C ATOM 79 O VAL A 5 -1.799 -7.554 3.773 1.00 6.84 O ATOM 80 CB VAL A 5 -0.777 -5.385 1.787 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.014 -4.441 1.993 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.309 -4.575 1.056 1.00 9.13 C ATOM 0 H VAL A 5 0.659 -7.562 2.499 1.00 4.44 H new ATOM 0 HA VAL A 5 0.094 -4.889 3.614 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.068 -6.267 1.217 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.403 -4.134 1.022 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.790 -4.973 2.544 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.709 -3.559 2.557 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.067 -4.257 0.084 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.570 -3.698 1.649 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.194 -5.196 0.917 1.00 9.13 H new ATOM 92 N LYS A 6 -1.596 -5.785 5.188 1.00 6.04 N ATOM 93 CA LYS A 6 -2.331 -6.331 6.284 1.00 6.12 C ATOM 94 C LYS A 6 -3.711 -5.688 6.287 1.00 6.57 C ATOM 95 O LYS A 6 -3.872 -4.501 6.392 1.00 5.76 O ATOM 96 CB LYS A 6 -1.638 -6.105 7.645 1.00 7.45 C ATOM 97 CG LYS A 6 -0.256 -6.832 7.807 1.00 11.12 C ATOM 98 CD LYS A 6 -0.475 -8.277 8.272 1.00 14.54 C ATOM 99 CE LYS A 6 0.869 -8.927 8.603 1.00 18.84 C ATOM 100 NZ LYS A 6 0.586 -10.331 8.810 1.00 20.55 N ATOM 0 H LYS A 6 -1.336 -4.809 5.334 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.396 -7.411 6.152 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.489 -5.035 7.788 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.306 -6.443 8.438 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.282 -6.824 6.859 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.362 -6.299 8.529 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.122 -8.292 9.149 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.982 -8.846 7.493 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.582 -8.787 7.790 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.310 -8.481 9.494 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.477 -10.867 8.822 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.095 -10.456 9.718 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.018 -10.681 8.039 1.00 20.55 H new ATOM 114 N THR A 7 -4.808 -6.512 6.103 1.00 7.41 N ATOM 115 CA THR A 7 -6.220 -5.988 5.980 1.00 7.48 C ATOM 116 C THR A 7 -6.898 -5.746 7.328 1.00 8.75 C ATOM 117 O THR A 7 -6.350 -5.919 8.392 1.00 8.58 O ATOM 118 CB THR A 7 -7.104 -6.893 5.116 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.437 -8.133 5.746 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.368 -7.187 3.781 1.00 9.17 C ATOM 0 H THR A 7 -4.740 -7.528 6.038 1.00 7.41 H new ATOM 0 HA THR A 7 -6.113 -5.023 5.485 1.00 7.48 H new ATOM 0 HB THR A 7 -8.040 -6.360 4.951 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.002 -8.663 5.146 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.988 -7.831 3.158 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.176 -6.250 3.257 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.422 -7.686 3.989 1.00 9.17 H new ATOM 128 N LEU A 8 -8.181 -5.351 7.308 1.00 9.84 N ATOM 129 CA LEU A 8 -8.989 -5.118 8.527 1.00 14.15 C ATOM 130 C LEU A 8 -9.194 -6.439 9.316 1.00 17.37 C ATOM 131 O LEU A 8 -9.250 -6.439 10.535 1.00 17.01 O ATOM 132 CB LEU A 8 -10.295 -4.414 8.183 1.00 16.63 C ATOM 133 CG LEU A 8 -11.090 -3.850 9.349 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.302 -2.870 10.218 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.412 -3.288 8.839 1.00 18.59 C ATOM 0 H LEU A 8 -8.695 -5.182 6.443 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.444 -4.447 9.191 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.072 -3.598 7.496 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.931 -5.118 7.646 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.310 -4.669 10.033 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.936 -2.511 11.028 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.430 -3.374 10.635 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.977 -2.025 9.611 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.982 -2.884 9.675 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.216 -2.496 8.116 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.984 -4.082 8.360 1.00 18.59 H new ATOM 147 N THR A 9 -9.212 -7.540 8.602 1.00 18.33 N ATOM 148 CA THR A 9 -9.461 -8.886 9.091 1.00 19.24 C ATOM 149 C THR A 9 -8.121 -9.584 9.444 1.00 19.48 C ATOM 150 O THR A 9 -8.113 -10.630 10.021 1.00 23.14 O ATOM 151 CB THR A 9 -10.264 -9.793 8.135 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.625 -10.043 6.944 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.597 -9.187 7.804 1.00 19.70 C ATOM 0 H THR A 9 -9.042 -7.524 7.596 1.00 18.33 H new ATOM 0 HA THR A 9 -10.085 -8.751 9.974 1.00 19.24 H new ATOM 0 HB THR A 9 -10.377 -10.732 8.677 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.986 -9.324 6.759 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.140 -9.849 7.129 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.172 -9.051 8.720 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.448 -8.220 7.323 1.00 19.70 H new ATOM 161 N GLY A 10 -6.934 -8.899 9.089 1.00 19.43 N ATOM 162 CA GLY A 10 -5.600 -9.388 9.303 1.00 18.74 C ATOM 163 C GLY A 10 -5.105 -10.222 8.254 1.00 17.62 C ATOM 164 O GLY A 10 -3.985 -10.737 8.372 1.00 19.74 O ATOM 0 H GLY A 10 -6.950 -7.982 8.643 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.929 -8.538 9.423 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.576 -9.947 10.238 1.00 18.74 H new ATOM 168 N LYS A 11 -5.818 -10.417 7.152 1.00 13.56 N ATOM 169 CA LYS A 11 -5.317 -11.187 5.988 1.00 11.91 C ATOM 170 C LYS A 11 -4.082 -10.557 5.382 1.00 10.18 C ATOM 171 O LYS A 11 -3.904 -9.346 5.213 1.00 9.10 O ATOM 172 CB LYS A 11 -6.453 -11.289 4.950 1.00 13.43 C ATOM 173 CG LYS A 11 -6.085 -12.298 3.848 1.00 16.69 C ATOM 174 CD LYS A 11 -6.982 -12.448 2.646 1.00 17.92 C ATOM 175 CE LYS A 11 -6.828 -11.238 1.660 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.619 -11.555 0.510 1.00 21.93 N ATOM 0 H LYS A 11 -6.762 -10.051 7.026 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.021 -12.183 6.318 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.376 -11.598 5.441 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.639 -10.310 4.508 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.092 -12.035 3.483 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.002 -13.278 4.318 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.743 -13.375 2.126 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.019 -12.524 2.972 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.169 -10.312 2.124 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.784 -11.091 1.385 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.975 -10.677 0.081 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.036 -12.067 -0.182 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.422 -12.151 0.795 1.00 21.93 H new ATOM 190 N THR A 12 -3.106 -11.387 5.067 1.00 9.63 N ATOM 191 CA THR A 12 -1.801 -10.880 4.583 1.00 9.85 C ATOM 192 C THR A 12 -1.757 -11.088 3.095 1.00 11.66 C ATOM 193 O THR A 12 -1.564 -12.166 2.512 1.00 12.33 O ATOM 194 CB THR A 12 -0.696 -11.728 5.232 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.690 -11.548 6.616 1.00 10.91 O ATOM 196 CG2 THR A 12 0.720 -11.398 4.847 1.00 9.63 C ATOM 0 H THR A 12 -3.172 -12.403 5.130 1.00 9.63 H new ATOM 0 HA THR A 12 -1.666 -9.827 4.829 1.00 9.85 H new ATOM 0 HB THR A 12 -0.948 -12.730 4.883 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.121 -12.229 7.032 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.404 -12.065 5.371 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.843 -11.523 3.771 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.940 -10.366 5.119 1.00 9.63 H new ATOM 204 N ILE A 13 -1.779 -9.923 2.421 1.00 10.42 N ATOM 205 CA ILE A 13 -1.586 -9.805 0.987 1.00 11.84 C ATOM 206 C ILE A 13 -0.088 -9.739 0.710 1.00 10.55 C ATOM 207 O ILE A 13 0.596 -8.798 1.115 1.00 11.92 O ATOM 208 CB ILE A 13 -2.369 -8.666 0.396 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.870 -8.719 0.703 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.256 -8.671 -1.185 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.635 -7.455 0.308 1.00 16.46 C ATOM 0 H ILE A 13 -1.936 -9.026 2.880 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.987 -10.684 0.483 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.935 -7.774 0.849 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.306 -9.572 0.183 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.005 -8.894 1.770 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.830 -7.839 -1.593 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.210 -8.568 -1.475 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.650 -9.609 -1.575 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.689 -7.574 0.559 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.228 -6.600 0.848 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.534 -7.289 -0.764 1.00 16.46 H new ATOM 223 N THR A 14 0.577 -10.683 0.006 1.00 9.39 N ATOM 224 CA THR A 14 2.022 -10.739 -0.159 1.00 9.63 C ATOM 225 C THR A 14 2.289 -10.335 -1.546 1.00 11.20 C ATOM 226 O THR A 14 2.095 -11.063 -2.509 1.00 11.63 O ATOM 227 CB THR A 14 2.507 -12.132 0.089 1.00 10.38 C ATOM 228 OG1 THR A 14 2.284 -12.503 1.457 1.00 16.30 O ATOM 229 CG2 THR A 14 4.038 -12.209 -0.028 1.00 11.66 C ATOM 0 H THR A 14 0.095 -11.444 -0.472 1.00 9.39 H new ATOM 0 HA THR A 14 2.537 -10.085 0.545 1.00 9.63 H new ATOM 0 HB THR A 14 1.985 -12.762 -0.631 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.071 -12.269 1.992 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.366 -13.232 0.157 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.342 -11.906 -1.030 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.493 -11.544 0.706 1.00 11.66 H new ATOM 237 N LEU A 15 2.914 -9.157 -1.733 1.00 8.29 N ATOM 238 CA LEU A 15 3.165 -8.551 -3.026 1.00 9.03 C ATOM 239 C LEU A 15 4.607 -8.592 -3.443 1.00 8.59 C ATOM 240 O LEU A 15 5.531 -8.792 -2.736 1.00 7.79 O ATOM 241 CB LEU A 15 2.788 -7.038 -3.040 1.00 11.08 C ATOM 242 CG LEU A 15 1.438 -6.680 -2.412 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.381 -5.141 -2.277 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.219 -7.257 -3.209 1.00 15.27 C ATOM 0 H LEU A 15 3.263 -8.595 -0.956 1.00 8.29 H new ATOM 0 HA LEU A 15 2.552 -9.141 -3.707 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.568 -6.484 -2.518 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.789 -6.693 -4.074 1.00 11.08 H new ATOM 0 HG LEU A 15 1.359 -7.145 -1.429 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.430 -4.850 -1.832 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.198 -4.801 -1.641 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.475 -4.686 -3.263 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.708 -6.969 -2.714 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.227 -6.860 -4.224 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.289 -8.344 -3.244 1.00 15.27 H new ATOM 256 N GLU A 16 4.791 -8.365 -4.761 1.00 11.04 N ATOM 257 CA GLU A 16 6.100 -8.348 -5.307 1.00 11.50 C ATOM 258 C GLU A 16 6.297 -6.974 -5.941 1.00 10.13 C ATOM 259 O GLU A 16 5.638 -6.661 -6.935 1.00 9.83 O ATOM 260 CB GLU A 16 6.303 -9.473 -6.331 1.00 17.22 C ATOM 261 CG GLU A 16 7.769 -9.643 -6.824 1.00 23.33 C ATOM 262 CD GLU A 16 8.754 -9.983 -5.755 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.527 -11.004 -5.024 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.743 -9.241 -5.627 1.00 28.86 O ATOM 0 H GLU A 16 4.041 -8.197 -5.431 1.00 11.04 H new ATOM 0 HA GLU A 16 6.840 -8.522 -4.526 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.971 -10.413 -5.890 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.664 -9.282 -7.193 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.794 -10.425 -7.583 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.084 -8.719 -7.308 1.00 23.33 H new ATOM 271 N VAL A 17 7.112 -6.127 -5.319 1.00 8.99 N ATOM 272 CA VAL A 17 7.325 -4.776 -5.678 1.00 8.85 C ATOM 273 C VAL A 17 8.789 -4.552 -5.950 1.00 8.04 C ATOM 274 O VAL A 17 9.685 -5.349 -5.716 1.00 8.99 O ATOM 275 CB VAL A 17 6.845 -3.846 -4.616 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.338 -4.000 -4.349 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.619 -4.018 -3.296 1.00 10.54 C ATOM 0 H VAL A 17 7.662 -6.407 -4.507 1.00 8.99 H new ATOM 0 HA VAL A 17 6.751 -4.566 -6.580 1.00 8.85 H new ATOM 0 HB VAL A 17 7.031 -2.842 -4.999 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.034 -3.303 -3.568 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.783 -3.787 -5.263 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.128 -5.020 -4.027 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.233 -3.319 -2.554 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.496 -5.038 -2.932 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.677 -3.819 -3.466 1.00 10.54 H new ATOM 287 N GLU A 18 9.085 -3.307 -6.362 1.00 7.29 N ATOM 288 CA GLU A 18 10.405 -2.844 -6.637 1.00 7.08 C ATOM 289 C GLU A 18 10.491 -1.496 -5.867 1.00 6.45 C ATOM 290 O GLU A 18 9.472 -0.867 -5.681 1.00 5.28 O ATOM 291 CB GLU A 18 10.759 -2.515 -8.154 1.00 10.28 C ATOM 292 CG GLU A 18 10.842 -3.810 -9.018 1.00 12.65 C ATOM 293 CD GLU A 18 10.865 -3.484 -10.480 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.995 -3.127 -10.906 1.00 18.17 O ATOM 295 OE2 GLU A 18 9.839 -3.538 -11.233 1.00 14.33 O ATOM 0 H GLU A 18 8.371 -2.593 -6.509 1.00 7.29 H new ATOM 0 HA GLU A 18 11.094 -3.640 -6.356 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.003 -1.848 -8.568 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.710 -1.985 -8.199 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.739 -4.370 -8.753 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.989 -4.452 -8.799 1.00 12.65 H new ATOM 302 N PRO A 19 11.621 -1.036 -5.400 1.00 7.24 N ATOM 303 CA PRO A 19 11.690 0.202 -4.620 1.00 7.07 C ATOM 304 C PRO A 19 11.347 1.446 -5.297 1.00 6.65 C ATOM 305 O PRO A 19 10.855 2.376 -4.703 1.00 6.37 O ATOM 306 CB PRO A 19 13.242 0.255 -4.243 1.00 7.61 C ATOM 307 CG PRO A 19 13.647 -1.197 -4.028 1.00 8.16 C ATOM 308 CD PRO A 19 12.823 -1.944 -5.053 1.00 7.49 C ATOM 0 HA PRO A 19 10.959 0.158 -3.812 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.826 0.713 -5.041 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.409 0.848 -3.344 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.715 -1.344 -4.186 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.426 -1.530 -3.014 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.415 -2.160 -5.943 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.484 -2.900 -4.655 1.00 7.49 H new ATOM 316 N SER A 20 11.501 1.458 -6.632 1.00 6.80 N ATOM 317 CA SER A 20 11.271 2.582 -7.470 1.00 6.28 C ATOM 318 C SER A 20 9.849 2.537 -8.033 1.00 8.45 C ATOM 319 O SER A 20 9.500 3.276 -8.996 1.00 7.26 O ATOM 320 CB SER A 20 12.348 2.488 -8.665 1.00 8.57 C ATOM 321 OG SER A 20 13.712 2.470 -8.231 1.00 11.13 O ATOM 0 H SER A 20 11.803 0.634 -7.151 1.00 6.80 H new ATOM 0 HA SER A 20 11.376 3.516 -6.918 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.152 1.586 -9.245 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.204 3.335 -9.335 1.00 8.57 H new ATOM 0 HG SER A 20 14.303 2.410 -9.011 1.00 11.13 H new ATOM 327 N ASP A 21 8.900 1.802 -7.384 1.00 7.50 N ATOM 328 CA ASP A 21 7.507 1.790 -7.726 1.00 7.70 C ATOM 329 C ASP A 21 6.942 2.878 -6.819 1.00 7.08 C ATOM 330 O ASP A 21 7.493 3.117 -5.741 1.00 8.11 O ATOM 331 CB ASP A 21 6.926 0.418 -7.407 1.00 11.00 C ATOM 332 CG ASP A 21 7.130 -0.594 -8.519 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.305 -0.197 -9.686 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.057 -1.856 -8.215 1.00 14.36 O ATOM 0 H ASP A 21 9.122 1.197 -6.593 1.00 7.50 H new ATOM 0 HA ASP A 21 7.286 1.970 -8.778 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.385 0.041 -6.493 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.859 0.520 -7.209 1.00 11.00 H new ATOM 339 N THR A 22 5.846 3.501 -7.183 1.00 5.37 N ATOM 340 CA THR A 22 5.120 4.508 -6.374 1.00 6.01 C ATOM 341 C THR A 22 4.077 3.823 -5.592 1.00 8.01 C ATOM 342 O THR A 22 3.761 2.658 -5.799 1.00 8.11 O ATOM 343 CB THR A 22 4.363 5.555 -7.183 1.00 8.92 C ATOM 344 OG1 THR A 22 3.447 4.963 -8.087 1.00 10.22 O ATOM 345 CG2 THR A 22 5.406 6.290 -8.058 1.00 9.65 C ATOM 0 H THR A 22 5.401 3.328 -8.084 1.00 5.37 H new ATOM 0 HA THR A 22 5.892 5.003 -5.785 1.00 6.01 H new ATOM 0 HB THR A 22 3.824 6.202 -6.491 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.220 5.606 -8.791 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.907 7.052 -8.657 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.150 6.762 -7.417 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.897 5.574 -8.718 1.00 9.65 H new ATOM 353 N ILE A 23 3.416 4.595 -4.676 1.00 8.32 N ATOM 354 CA ILE A 23 2.283 4.153 -3.880 1.00 9.92 C ATOM 355 C ILE A 23 1.038 3.891 -4.670 1.00 10.01 C ATOM 356 O ILE A 23 0.342 2.899 -4.487 1.00 8.71 O ATOM 357 CB ILE A 23 2.056 4.985 -2.680 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.349 5.195 -1.910 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.928 4.390 -1.873 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.022 3.936 -1.361 1.00 12.30 C ATOM 0 H ILE A 23 3.682 5.561 -4.485 1.00 8.32 H new ATOM 0 HA ILE A 23 2.574 3.171 -3.507 1.00 9.92 H new ATOM 0 HB ILE A 23 1.741 5.990 -2.961 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.057 5.705 -2.563 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.145 5.866 -1.075 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.755 4.999 -0.986 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.022 4.364 -2.478 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.192 3.376 -1.572 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.934 4.212 -0.832 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.343 3.430 -0.674 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.269 3.267 -2.185 1.00 12.30 H new ATOM 372 N GLU A 24 0.839 4.668 -5.804 1.00 9.54 N ATOM 373 CA GLU A 24 -0.168 4.398 -6.795 1.00 11.81 C ATOM 374 C GLU A 24 0.037 3.084 -7.512 1.00 11.14 C ATOM 375 O GLU A 24 -0.904 2.338 -7.701 1.00 10.62 O ATOM 376 CB GLU A 24 -0.021 5.507 -7.875 1.00 19.24 C ATOM 377 CG GLU A 24 -0.932 5.416 -9.070 1.00 27.76 C ATOM 378 CD GLU A 24 -0.965 6.687 -9.863 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.459 7.719 -9.348 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.378 6.717 -10.901 1.00 34.80 O ATOM 0 H GLU A 24 1.401 5.493 -6.013 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.136 4.366 -6.295 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.185 6.472 -7.395 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.009 5.499 -8.232 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.603 4.599 -9.712 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.941 5.173 -8.736 1.00 27.76 H new ATOM 387 N ASN A 25 1.306 2.706 -7.817 1.00 9.43 N ATOM 388 CA ASN A 25 1.731 1.445 -8.385 1.00 10.96 C ATOM 389 C ASN A 25 1.377 0.185 -7.586 1.00 9.68 C ATOM 390 O ASN A 25 0.843 -0.797 -8.160 1.00 9.33 O ATOM 391 CB ASN A 25 3.251 1.440 -8.776 1.00 16.78 C ATOM 392 CG ASN A 25 3.461 0.452 -9.884 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.799 -0.726 -9.631 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.123 0.830 -11.083 1.00 24.70 N ATOM 0 H ASN A 25 2.095 3.331 -7.653 1.00 9.43 H new ATOM 0 HA ASN A 25 1.127 1.381 -9.290 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.562 2.435 -9.094 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.862 1.175 -7.913 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.129 0.158 -11.850 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.852 1.798 -11.255 1.00 24.70 H new ATOM 401 N VAL A 26 1.624 0.241 -6.256 1.00 6.52 N ATOM 402 CA VAL A 26 1.164 -0.770 -5.258 1.00 5.53 C ATOM 403 C VAL A 26 -0.360 -0.835 -5.242 1.00 4.42 C ATOM 404 O VAL A 26 -0.876 -1.931 -5.276 1.00 3.40 O ATOM 405 CB VAL A 26 1.797 -0.464 -3.894 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.416 -1.683 -3.007 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.302 -0.382 -4.152 1.00 8.12 C ATOM 0 H VAL A 26 2.157 1.001 -5.833 1.00 6.52 H new ATOM 0 HA VAL A 26 1.498 -1.770 -5.535 1.00 5.53 H new ATOM 0 HB VAL A 26 1.473 0.458 -3.411 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.829 -1.549 -2.007 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.331 -1.762 -2.943 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.820 -2.594 -3.448 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.820 -0.165 -3.218 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.655 -1.333 -4.550 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.505 0.411 -4.872 1.00 8.12 H new ATOM 417 N LYS A 27 -1.048 0.322 -5.204 1.00 2.64 N ATOM 418 CA LYS A 27 -2.484 0.337 -5.185 1.00 4.14 C ATOM 419 C LYS A 27 -3.165 -0.331 -6.376 1.00 5.58 C ATOM 420 O LYS A 27 -4.102 -1.061 -6.175 1.00 4.11 O ATOM 421 CB LYS A 27 -3.123 1.752 -4.872 1.00 3.97 C ATOM 422 CG LYS A 27 -2.854 2.293 -3.429 1.00 7.45 C ATOM 423 CD LYS A 27 -3.198 3.736 -3.264 1.00 9.02 C ATOM 424 CE LYS A 27 -3.235 4.099 -1.775 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.662 5.460 -1.704 1.00 15.47 N ATOM 0 H LYS A 27 -0.614 1.245 -5.186 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.700 -0.302 -4.329 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.740 2.475 -5.592 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.200 1.690 -5.026 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.431 1.705 -2.715 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.802 2.148 -3.185 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.463 4.355 -3.779 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.166 3.942 -3.721 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.921 3.448 -1.233 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.252 3.976 -1.320 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.021 5.993 -1.082 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.648 5.878 -2.656 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.628 5.501 -1.322 1.00 15.47 H new ATOM 439 N ALA A 28 -2.677 -0.184 -7.625 1.00 6.61 N ATOM 440 CA ALA A 28 -2.992 -0.970 -8.861 1.00 7.74 C ATOM 441 C ALA A 28 -2.770 -2.438 -8.670 1.00 9.17 C ATOM 442 O ALA A 28 -3.616 -3.290 -9.000 1.00 11.45 O ATOM 443 CB ALA A 28 -2.095 -0.414 -9.962 1.00 7.68 C ATOM 0 H ALA A 28 -1.994 0.547 -7.824 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.046 -0.868 -9.118 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.283 -0.953 -10.891 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.310 0.645 -10.107 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.050 -0.536 -9.677 1.00 7.68 H new ATOM 449 N LYS A 29 -1.534 -2.770 -8.125 1.00 8.96 N ATOM 450 CA LYS A 29 -1.266 -4.165 -7.788 1.00 7.90 C ATOM 451 C LYS A 29 -2.144 -4.778 -6.705 1.00 6.92 C ATOM 452 O LYS A 29 -2.533 -5.892 -6.949 1.00 6.87 O ATOM 453 CB LYS A 29 0.239 -4.234 -7.451 1.00 10.28 C ATOM 454 CG LYS A 29 0.889 -5.646 -7.350 1.00 14.94 C ATOM 455 CD LYS A 29 2.396 -5.421 -7.358 1.00 19.69 C ATOM 456 CE LYS A 29 2.971 -5.415 -8.755 1.00 22.63 C ATOM 457 NZ LYS A 29 4.423 -5.240 -8.826 1.00 24.98 N ATOM 0 H LYS A 29 -0.777 -2.114 -7.933 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.529 -4.787 -8.643 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.780 -3.668 -8.210 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.395 -3.723 -6.501 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.576 -6.154 -6.438 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.585 -6.275 -8.186 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.621 -4.472 -6.871 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.880 -6.202 -6.772 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.709 -6.354 -9.244 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.496 -4.616 -9.324 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.747 -5.417 -9.798 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.669 -4.268 -8.550 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.886 -5.911 -8.180 1.00 24.98 H new ATOM 471 N ILE A 30 -2.546 -4.022 -5.686 1.00 4.57 N ATOM 472 CA ILE A 30 -3.506 -4.578 -4.720 1.00 5.58 C ATOM 473 C ILE A 30 -4.871 -4.770 -5.294 1.00 7.26 C ATOM 474 O ILE A 30 -5.600 -5.727 -5.071 1.00 9.46 O ATOM 475 CB ILE A 30 -3.617 -3.662 -3.478 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.287 -3.766 -2.711 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.810 -3.922 -2.523 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.178 -2.725 -1.692 1.00 2.00 C ATOM 0 H ILE A 30 -2.242 -3.065 -5.506 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.118 -5.558 -4.442 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.819 -2.660 -3.856 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.212 -4.747 -2.241 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.455 -3.682 -3.410 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.774 -3.215 -1.694 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.746 -3.796 -3.067 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.751 -4.939 -2.135 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.227 -2.826 -1.168 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.228 -1.745 -2.166 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.997 -2.826 -0.980 1.00 2.00 H new ATOM 490 N GLN A 31 -5.256 -3.849 -6.189 1.00 7.06 N ATOM 491 CA GLN A 31 -6.397 -4.047 -7.031 1.00 8.67 C ATOM 492 C GLN A 31 -6.288 -5.252 -7.983 1.00 10.90 C ATOM 493 O GLN A 31 -7.329 -5.925 -8.193 1.00 9.63 O ATOM 494 CB GLN A 31 -6.634 -2.803 -7.932 1.00 9.12 C ATOM 495 CG GLN A 31 -7.966 -2.815 -8.728 1.00 10.76 C ATOM 496 CD GLN A 31 -8.056 -1.790 -9.746 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.051 -1.193 -10.112 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.275 -1.422 -10.135 1.00 14.76 N ATOM 0 H GLN A 31 -4.776 -2.960 -6.333 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.215 -4.225 -6.333 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.610 -1.910 -7.307 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.807 -2.721 -8.637 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.087 -3.791 -9.199 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.795 -2.693 -8.030 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.092 -1.941 -9.812 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.392 -0.621 -10.756 1.00 14.76 H new ATOM 507 N ASP A 32 -5.077 -5.633 -8.600 1.00 10.93 N ATOM 508 CA ASP A 32 -5.015 -6.873 -9.407 1.00 14.01 C ATOM 509 C ASP A 32 -5.320 -8.109 -8.573 1.00 14.04 C ATOM 510 O ASP A 32 -6.056 -9.043 -9.005 1.00 13.39 O ATOM 511 CB ASP A 32 -3.649 -6.848 -9.979 1.00 18.01 C ATOM 512 CG ASP A 32 -3.521 -7.921 -11.063 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.433 -8.086 -11.924 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.439 -8.568 -11.089 1.00 26.29 O ATOM 0 H ASP A 32 -4.203 -5.111 -8.539 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.770 -6.920 -10.192 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.439 -5.865 -10.401 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.913 -7.021 -9.194 1.00 18.01 H new ATOM 519 N LYS A 33 -4.780 -8.159 -7.275 1.00 14.22 N ATOM 520 CA LYS A 33 -4.985 -9.176 -6.263 1.00 14.00 C ATOM 521 C LYS A 33 -6.461 -9.293 -5.733 1.00 12.37 C ATOM 522 O LYS A 33 -7.080 -10.339 -5.614 1.00 12.17 O ATOM 523 CB LYS A 33 -4.072 -8.847 -5.002 1.00 18.62 C ATOM 524 CG LYS A 33 -2.565 -9.011 -5.336 1.00 24.00 C ATOM 525 CD LYS A 33 -2.138 -10.414 -5.795 1.00 27.61 C ATOM 526 CE LYS A 33 -0.640 -10.500 -6.068 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.267 -11.861 -6.571 1.00 30.06 N ATOM 0 H LYS A 33 -4.160 -7.421 -6.941 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.733 -10.118 -6.750 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.263 -7.827 -4.668 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.337 -9.507 -4.176 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.304 -8.297 -6.117 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.984 -8.744 -4.453 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.409 -11.142 -5.031 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.686 -10.681 -6.698 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.356 -9.746 -6.802 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.086 -10.281 -5.155 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.757 -11.896 -6.750 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.519 -12.575 -5.858 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.780 -12.057 -7.454 1.00 30.06 H new ATOM 541 N GLU A 34 -7.083 -8.133 -5.341 1.00 10.11 N ATOM 542 CA GLU A 34 -8.240 -8.181 -4.432 1.00 10.07 C ATOM 543 C GLU A 34 -9.388 -7.555 -5.047 1.00 9.32 C ATOM 544 O GLU A 34 -10.510 -7.546 -4.542 1.00 11.61 O ATOM 545 CB GLU A 34 -7.976 -7.409 -3.120 1.00 14.77 C ATOM 546 CG GLU A 34 -6.863 -8.020 -2.272 1.00 18.75 C ATOM 547 CD GLU A 34 -7.218 -9.471 -1.872 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.257 -9.652 -1.169 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.390 -10.384 -2.149 1.00 25.19 O ATOM 0 H GLU A 34 -6.804 -7.197 -5.636 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.417 -9.235 -4.220 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.716 -6.378 -3.360 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.894 -7.378 -2.534 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.926 -8.009 -2.829 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.708 -7.418 -1.377 1.00 18.75 H new ATOM 556 N GLY A 35 -9.225 -6.807 -6.121 1.00 7.22 N ATOM 557 CA GLY A 35 -10.251 -5.951 -6.757 1.00 6.29 C ATOM 558 C GLY A 35 -10.640 -4.645 -6.026 1.00 6.93 C ATOM 559 O GLY A 35 -11.597 -4.031 -6.511 1.00 7.41 O ATOM 0 H GLY A 35 -8.332 -6.766 -6.612 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.899 -5.687 -7.754 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.154 -6.547 -6.886 1.00 6.29 H new ATOM 563 N ILE A 36 -9.947 -4.219 -5.002 1.00 5.86 N ATOM 564 CA ILE A 36 -10.352 -2.991 -4.315 1.00 6.07 C ATOM 565 C ILE A 36 -9.874 -1.882 -5.224 1.00 6.36 C ATOM 566 O ILE A 36 -8.675 -1.860 -5.534 1.00 6.18 O ATOM 567 CB ILE A 36 -9.612 -2.886 -2.937 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.676 -4.200 -2.103 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.164 -1.634 -2.268 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.664 -4.235 -0.996 1.00 9.49 C ATOM 0 H ILE A 36 -9.120 -4.680 -4.623 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.424 -2.953 -4.122 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.534 -2.777 -3.055 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.675 -4.308 -1.680 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.515 -5.052 -2.763 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.688 -1.500 -1.297 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.959 -0.766 -2.895 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.241 -1.738 -2.133 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.755 -5.173 -0.449 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.662 -4.156 -1.417 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.839 -3.401 -0.317 1.00 9.49 H new ATOM 582 N PRO A 37 -10.711 -0.937 -5.774 1.00 8.65 N ATOM 583 CA PRO A 37 -10.211 0.301 -6.392 1.00 9.18 C ATOM 584 C PRO A 37 -9.110 1.027 -5.654 1.00 9.85 C ATOM 585 O PRO A 37 -9.214 1.131 -4.417 1.00 8.51 O ATOM 586 CB PRO A 37 -11.485 1.166 -6.540 1.00 11.42 C ATOM 587 CG PRO A 37 -12.552 0.098 -6.583 1.00 9.27 C ATOM 588 CD PRO A 37 -12.149 -0.921 -5.550 1.00 8.33 C ATOM 0 HA PRO A 37 -9.708 0.072 -7.332 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.619 1.850 -5.702 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.470 1.771 -7.446 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.534 0.516 -6.359 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.616 -0.352 -7.574 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.411 -0.616 -4.537 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.610 -1.894 -5.720 1.00 8.33 H new ATOM 596 N PRO A 38 -8.031 1.561 -6.335 1.00 8.71 N ATOM 597 CA PRO A 38 -6.968 2.386 -5.702 1.00 9.08 C ATOM 598 C PRO A 38 -7.516 3.473 -4.843 1.00 9.28 C ATOM 599 O PRO A 38 -6.947 3.735 -3.797 1.00 6.50 O ATOM 600 CB PRO A 38 -6.077 2.879 -6.839 1.00 10.31 C ATOM 601 CG PRO A 38 -6.087 1.679 -7.724 1.00 10.81 C ATOM 602 CD PRO A 38 -7.524 1.138 -7.601 1.00 12.00 C ATOM 0 HA PRO A 38 -6.378 1.797 -5.000 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.483 3.762 -7.332 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.074 3.136 -6.499 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.846 1.941 -8.754 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.353 0.940 -7.403 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.148 1.517 -8.411 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.533 0.051 -7.674 1.00 12.00 H new ATOM 610 N ASP A 39 -8.617 4.151 -5.270 1.00 11.20 N ATOM 611 CA ASP A 39 -9.165 5.309 -4.575 1.00 14.96 C ATOM 612 C ASP A 39 -9.719 5.002 -3.211 1.00 13.99 C ATOM 613 O ASP A 39 -9.997 5.890 -2.398 1.00 13.75 O ATOM 614 CB ASP A 39 -10.250 6.040 -5.424 1.00 24.16 C ATOM 615 CG ASP A 39 -9.547 6.700 -6.590 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.743 7.627 -6.270 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.752 6.372 -7.781 1.00 34.22 O ATOM 0 H ASP A 39 -9.137 3.895 -6.109 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.309 5.968 -4.433 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.000 5.333 -5.779 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.772 6.783 -4.821 1.00 24.16 H new ATOM 622 N GLN A 40 -9.963 3.716 -2.958 1.00 11.60 N ATOM 623 CA GLN A 40 -10.581 3.282 -1.701 1.00 10.76 C ATOM 624 C GLN A 40 -9.608 2.679 -0.721 1.00 8.01 C ATOM 625 O GLN A 40 -9.872 2.253 0.387 1.00 8.96 O ATOM 626 CB GLN A 40 -11.683 2.227 -1.845 1.00 11.14 C ATOM 627 CG GLN A 40 -12.873 2.821 -2.589 1.00 14.85 C ATOM 628 CD GLN A 40 -13.844 1.723 -3.046 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.282 1.656 -4.193 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.231 0.776 -2.118 1.00 18.16 N ATOM 0 H GLN A 40 -9.744 2.957 -3.603 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.995 4.225 -1.343 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.301 1.360 -2.385 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.995 1.878 -0.861 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.395 3.526 -1.942 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.521 3.383 -3.454 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.874 0.822 -1.164 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.874 0.031 -2.387 1.00 18.16 H new ATOM 639 N GLN A 41 -8.321 2.802 -1.072 1.00 6.52 N ATOM 640 CA GLN A 41 -7.205 2.290 -0.331 1.00 3.87 C ATOM 641 C GLN A 41 -6.376 3.349 0.386 1.00 4.79 C ATOM 642 O GLN A 41 -6.022 4.380 -0.220 1.00 6.34 O ATOM 643 CB GLN A 41 -6.211 1.503 -1.183 1.00 4.20 C ATOM 644 CG GLN A 41 -6.827 0.296 -1.928 1.00 3.20 C ATOM 645 CD GLN A 41 -5.783 -0.418 -2.861 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.551 -0.318 -2.607 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.201 -1.082 -3.971 1.00 7.13 N ATOM 0 H GLN A 41 -8.037 3.287 -1.923 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.704 1.646 0.393 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.764 2.177 -1.914 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.404 1.147 -0.543 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.212 -0.420 -1.202 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.675 0.633 -2.524 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.198 -1.161 -4.173 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.518 -1.501 -4.602 1.00 7.13 H new ATOM 656 N ARG A 42 -6.028 3.189 1.693 1.00 5.73 N ATOM 657 CA ARG A 42 -5.167 4.049 2.472 1.00 6.97 C ATOM 658 C ARG A 42 -4.120 3.176 3.064 1.00 7.15 C ATOM 659 O ARG A 42 -4.384 2.272 3.839 1.00 7.33 O ATOM 660 CB ARG A 42 -5.882 4.741 3.626 1.00 13.23 C ATOM 661 CG ARG A 42 -6.844 5.882 3.209 1.00 21.27 C ATOM 662 CD ARG A 42 -7.590 6.376 4.390 1.00 26.14 C ATOM 663 NE ARG A 42 -7.904 7.815 3.997 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.969 8.498 4.442 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.002 7.816 4.914 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.934 9.869 4.254 1.00 36.39 N ATOM 0 H ARG A 42 -6.375 2.401 2.240 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.782 4.827 1.813 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.448 3.994 4.183 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.134 5.147 4.306 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.279 6.698 2.759 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.542 5.522 2.453 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.496 5.797 4.570 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.992 6.324 5.300 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.265 8.287 3.357 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.974 6.797 4.933 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.825 8.310 5.259 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.129 10.301 3.800 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.713 10.447 4.570 1.00 36.39 H new ATOM 680 N LEU A 43 -2.910 3.348 2.662 1.00 4.65 N ATOM 681 CA LEU A 43 -1.828 2.602 3.181 1.00 3.51 C ATOM 682 C LEU A 43 -0.947 3.415 4.156 1.00 5.56 C ATOM 683 O LEU A 43 -0.679 4.618 3.941 1.00 4.19 O ATOM 684 CB LEU A 43 -0.859 2.083 1.996 1.00 3.74 C ATOM 685 CG LEU A 43 -1.609 1.108 1.024 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.752 0.876 -0.215 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.975 -0.219 1.661 1.00 6.41 C ATOM 0 H LEU A 43 -2.644 4.026 1.948 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.287 1.769 3.714 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.480 2.937 1.435 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.004 1.576 2.427 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.551 1.586 0.756 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.270 0.198 -0.894 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.574 1.827 -0.717 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.201 0.437 0.079 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.491 -0.843 0.931 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.069 -0.725 1.995 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.629 -0.044 2.516 1.00 6.41 H new ATOM 699 N ILE A 44 -0.593 2.707 5.252 1.00 4.58 N ATOM 700 CA ILE A 44 0.100 3.143 6.426 1.00 5.55 C ATOM 701 C ILE A 44 1.333 2.260 6.565 1.00 5.46 C ATOM 702 O ILE A 44 1.307 1.044 6.494 1.00 6.04 O ATOM 703 CB ILE A 44 -0.814 3.189 7.647 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.896 4.296 7.511 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.025 3.458 8.927 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.882 4.515 8.722 1.00 13.90 C ATOM 0 H ILE A 44 -0.823 1.715 5.315 1.00 4.58 H new ATOM 0 HA ILE A 44 0.431 4.178 6.340 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.292 2.211 7.704 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.386 5.240 7.319 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.495 4.072 6.628 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.708 3.484 9.776 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.709 2.666 9.075 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.488 4.416 8.844 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.579 5.318 8.483 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.437 3.596 8.910 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.312 4.783 9.612 1.00 13.90 H new ATOM 718 N PHE A 45 2.547 2.876 6.708 1.00 6.75 N ATOM 719 CA PHE A 45 3.746 2.277 7.070 1.00 4.70 C ATOM 720 C PHE A 45 4.300 3.063 8.315 1.00 6.34 C ATOM 721 O PHE A 45 4.525 4.293 8.257 1.00 5.45 O ATOM 722 CB PHE A 45 4.814 2.454 5.977 1.00 5.51 C ATOM 723 CG PHE A 45 6.104 1.901 6.248 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.280 0.523 6.527 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.161 2.872 6.436 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.618 0.092 6.805 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.419 2.422 6.650 1.00 6.64 C ATOM 728 CZ PHE A 45 8.638 1.050 6.773 1.00 6.84 C ATOM 0 H PHE A 45 2.655 3.878 6.548 1.00 6.75 H new ATOM 0 HA PHE A 45 3.561 1.218 7.252 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.438 2.006 5.057 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.934 3.521 5.787 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.449 -0.167 6.530 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.950 3.931 6.406 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.833 -0.942 7.033 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.243 3.116 6.725 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.659 0.705 6.848 1.00 6.84 H new ATOM 738 N ALA A 46 4.555 2.369 9.418 1.00 6.53 N ATOM 739 CA ALA A 46 5.324 2.901 10.560 1.00 7.15 C ATOM 740 C ALA A 46 4.779 4.154 11.247 1.00 9.00 C ATOM 741 O ALA A 46 5.511 5.061 11.665 1.00 11.15 O ATOM 742 CB ALA A 46 6.831 3.076 10.045 1.00 8.99 C ATOM 0 H ALA A 46 4.235 1.410 9.556 1.00 6.53 H new ATOM 0 HA ALA A 46 5.244 2.183 11.376 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.448 3.469 10.853 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.221 2.109 9.727 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.850 3.769 9.204 1.00 8.99 H new ATOM 748 N GLY A 47 3.464 4.100 11.355 1.00 9.35 N ATOM 749 CA GLY A 47 2.613 5.192 11.743 1.00 11.68 C ATOM 750 C GLY A 47 2.300 6.294 10.776 1.00 11.14 C ATOM 751 O GLY A 47 1.459 7.073 11.198 1.00 13.93 O ATOM 0 H GLY A 47 2.941 3.245 11.163 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.663 4.762 12.060 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.063 5.654 12.622 1.00 11.68 H new ATOM 755 N LYS A 48 2.797 6.364 9.505 1.00 10.47 N ATOM 756 CA LYS A 48 2.589 7.458 8.523 1.00 8.82 C ATOM 757 C LYS A 48 1.798 7.039 7.354 1.00 7.68 C ATOM 758 O LYS A 48 1.981 5.931 6.793 1.00 6.47 O ATOM 759 CB LYS A 48 3.997 7.879 8.020 1.00 9.74 C ATOM 760 CG LYS A 48 3.925 9.120 7.127 1.00 14.14 C ATOM 761 CD LYS A 48 3.473 10.389 7.735 1.00 16.32 C ATOM 762 CE LYS A 48 4.264 10.963 8.971 1.00 20.04 C ATOM 763 NZ LYS A 48 5.688 11.024 8.695 1.00 23.92 N ATOM 0 H LYS A 48 3.381 5.619 9.125 1.00 10.47 H new ATOM 0 HA LYS A 48 2.042 8.264 9.013 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.644 8.081 8.874 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.448 7.056 7.465 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.917 9.286 6.706 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.259 8.893 6.294 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.482 11.150 6.955 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.435 10.257 8.040 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.894 11.959 9.213 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.086 10.336 9.844 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.184 11.421 9.518 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.046 10.066 8.504 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.855 11.628 7.865 1.00 23.92 H new ATOM 777 N GLN A 49 0.794 7.834 6.940 1.00 8.89 N ATOM 778 CA GLN A 49 0.014 7.536 5.842 1.00 7.18 C ATOM 779 C GLN A 49 0.645 7.873 4.467 1.00 8.23 C ATOM 780 O GLN A 49 1.151 8.963 4.336 1.00 9.70 O ATOM 781 CB GLN A 49 -1.417 8.096 6.063 1.00 11.67 C ATOM 782 CG GLN A 49 -2.459 7.222 5.413 1.00 15.82 C ATOM 783 CD GLN A 49 -3.884 7.543 5.976 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.615 6.655 6.388 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.345 8.832 5.871 1.00 20.67 N ATOM 0 H GLN A 49 0.540 8.706 7.404 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.055 6.450 5.772 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.619 8.171 7.132 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.481 9.105 5.655 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.447 7.375 4.334 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.221 6.173 5.589 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.728 9.568 5.526 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.304 9.054 6.138 1.00 20.67 H new ATOM 794 N LEU A 50 0.552 7.000 3.480 1.00 6.51 N ATOM 795 CA LEU A 50 1.365 7.074 2.326 1.00 7.41 C ATOM 796 C LEU A 50 0.669 7.759 1.072 1.00 8.27 C ATOM 797 O LEU A 50 -0.435 7.513 0.699 1.00 8.34 O ATOM 798 CB LEU A 50 1.864 5.719 1.912 1.00 7.13 C ATOM 799 CG LEU A 50 2.533 4.857 2.948 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.999 3.510 2.328 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.790 5.495 3.650 1.00 9.11 C ATOM 0 H LEU A 50 -0.104 6.219 3.477 1.00 6.51 H new ATOM 0 HA LEU A 50 2.195 7.712 2.629 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.017 5.161 1.512 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.568 5.861 1.092 1.00 7.13 H new ATOM 0 HG LEU A 50 1.761 4.725 3.706 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.480 2.903 3.095 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.137 2.975 1.930 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.708 3.706 1.523 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.196 4.792 4.378 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.549 5.721 2.901 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.496 6.414 4.158 1.00 9.11 H new ATOM 813 N GLU A 51 1.407 8.677 0.481 1.00 9.43 N ATOM 814 CA GLU A 51 0.873 9.438 -0.637 1.00 11.90 C ATOM 815 C GLU A 51 1.161 8.846 -2.005 1.00 11.49 C ATOM 816 O GLU A 51 2.216 8.338 -2.224 1.00 9.88 O ATOM 817 CB GLU A 51 1.355 10.945 -0.506 1.00 16.56 C ATOM 818 CG GLU A 51 0.865 11.641 0.744 1.00 26.06 C ATOM 819 CD GLU A 51 1.002 13.079 0.766 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.136 13.801 0.200 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.987 13.519 1.428 1.00 33.44 O ATOM 0 H GLU A 51 2.363 8.914 0.748 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.214 9.393 -0.574 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.445 10.970 -0.520 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.012 11.502 -1.378 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.188 11.394 0.884 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.404 11.232 1.598 1.00 26.06 H new ATOM 828 N ASP A 52 0.216 8.907 -2.901 1.00 12.71 N ATOM 829 CA ASP A 52 0.121 8.186 -4.129 1.00 16.56 C ATOM 830 C ASP A 52 1.249 8.483 -5.118 1.00 15.83 C ATOM 831 O ASP A 52 1.701 7.620 -5.894 1.00 17.21 O ATOM 832 CB ASP A 52 -1.274 8.406 -4.745 1.00 21.05 C ATOM 833 CG ASP A 52 -2.359 8.017 -3.767 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.721 6.836 -3.776 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.917 8.847 -2.988 1.00 25.82 O ATOM 0 H ASP A 52 -0.584 9.526 -2.771 1.00 12.71 H new ATOM 0 HA ASP A 52 0.248 7.129 -3.895 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.391 9.452 -5.028 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.371 7.816 -5.657 1.00 21.05 H new ATOM 840 N GLY A 53 1.795 9.727 -5.147 1.00 15.00 N ATOM 841 CA GLY A 53 2.875 10.083 -6.027 1.00 11.77 C ATOM 842 C GLY A 53 4.226 9.831 -5.395 1.00 11.10 C ATOM 843 O GLY A 53 5.211 10.127 -6.043 1.00 11.25 O ATOM 0 H GLY A 53 1.480 10.492 -4.550 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.794 9.510 -6.951 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.791 11.136 -6.297 1.00 11.77 H new ATOM 847 N ARG A 54 4.304 9.387 -4.115 1.00 8.53 N ATOM 848 CA ARG A 54 5.565 9.072 -3.507 1.00 9.05 C ATOM 849 C ARG A 54 6.053 7.658 -3.832 1.00 8.96 C ATOM 850 O ARG A 54 5.281 6.830 -4.262 1.00 11.60 O ATOM 851 CB ARG A 54 5.575 9.210 -1.931 1.00 7.97 C ATOM 852 CG ARG A 54 5.667 10.718 -1.518 1.00 9.62 C ATOM 853 CD ARG A 54 7.010 11.236 -0.907 1.00 12.20 C ATOM 854 NE ARG A 54 6.802 12.700 -0.530 1.00 18.23 N ATOM 855 CZ ARG A 54 7.622 13.434 0.211 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.778 12.878 0.658 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.287 14.695 0.528 1.00 23.38 N ATOM 0 H ARG A 54 3.496 9.248 -3.508 1.00 8.53 H new ATOM 0 HA ARG A 54 6.233 9.816 -3.941 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.671 8.766 -1.515 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.420 8.660 -1.516 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.449 11.319 -2.401 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.875 10.914 -0.795 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.285 10.649 -0.031 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.823 11.136 -1.626 1.00 12.20 H new ATOM 0 HE ARG A 54 5.958 13.154 -0.878 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.003 11.911 0.423 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.421 13.427 1.229 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.404 15.086 0.199 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.915 15.262 1.098 1.00 23.38 H new ATOM 871 N THR A 55 7.382 7.410 -3.736 1.00 9.05 N ATOM 872 CA THR A 55 8.047 6.207 -4.089 1.00 9.03 C ATOM 873 C THR A 55 8.284 5.430 -2.792 1.00 8.15 C ATOM 874 O THR A 55 8.477 5.961 -1.683 1.00 5.91 O ATOM 875 CB THR A 55 9.368 6.302 -4.823 1.00 11.15 C ATOM 876 OG1 THR A 55 10.222 7.243 -4.189 1.00 11.95 O ATOM 877 CG2 THR A 55 9.158 6.820 -6.228 1.00 11.71 C ATOM 0 H THR A 55 8.029 8.115 -3.382 1.00 9.05 H new ATOM 0 HA THR A 55 7.386 5.730 -4.813 1.00 9.03 H new ATOM 0 HB THR A 55 9.803 5.302 -4.825 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.072 7.292 -4.674 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.118 6.882 -6.740 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.500 6.142 -6.771 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.705 7.810 -6.187 1.00 11.71 H new ATOM 885 N LEU A 56 8.277 4.069 -2.889 1.00 6.91 N ATOM 886 CA LEU A 56 8.598 3.111 -1.816 1.00 8.29 C ATOM 887 C LEU A 56 10.001 3.371 -1.171 1.00 8.05 C ATOM 888 O LEU A 56 10.044 3.622 0.040 1.00 10.17 O ATOM 889 CB LEU A 56 8.526 1.618 -2.330 1.00 6.60 C ATOM 890 CG LEU A 56 7.109 1.141 -2.724 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.140 -0.281 -3.238 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.149 1.275 -1.554 1.00 8.64 C ATOM 0 H LEU A 56 8.035 3.600 -3.762 1.00 6.91 H new ATOM 0 HA LEU A 56 7.840 3.265 -1.048 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.184 1.512 -3.193 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.913 0.960 -1.552 1.00 6.60 H new ATOM 0 HG LEU A 56 6.750 1.781 -3.530 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.131 -0.592 -3.508 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.784 -0.337 -4.116 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.527 -0.940 -2.461 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.159 0.933 -1.855 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.504 0.669 -0.721 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.095 2.319 -1.246 1.00 8.64 H new ATOM 904 N SER A 57 11.064 3.592 -1.964 1.00 8.92 N ATOM 905 CA SER A 57 12.372 4.057 -1.429 1.00 9.00 C ATOM 906 C SER A 57 12.442 5.387 -0.699 1.00 9.44 C ATOM 907 O SER A 57 13.093 5.464 0.353 1.00 10.91 O ATOM 908 CB SER A 57 13.466 3.933 -2.559 1.00 10.32 C ATOM 909 OG SER A 57 13.050 4.578 -3.758 1.00 13.59 O ATOM 0 H SER A 57 11.051 3.459 -2.975 1.00 8.92 H new ATOM 0 HA SER A 57 12.567 3.380 -0.597 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.401 4.374 -2.212 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.665 2.881 -2.761 1.00 10.32 H new ATOM 0 HG SER A 57 13.749 4.485 -4.439 1.00 13.59 H new ATOM 915 N ASP A 58 11.692 6.409 -1.053 1.00 9.11 N ATOM 916 CA ASP A 58 11.617 7.607 -0.264 1.00 7.91 C ATOM 917 C ASP A 58 11.060 7.457 1.127 1.00 9.12 C ATOM 918 O ASP A 58 11.530 8.119 2.066 1.00 8.61 O ATOM 919 CB ASP A 58 10.802 8.618 -1.100 1.00 8.41 C ATOM 920 CG ASP A 58 10.914 9.995 -0.623 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.059 10.488 -0.567 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.920 10.670 -0.268 1.00 10.05 O ATOM 0 H ASP A 58 11.119 6.427 -1.897 1.00 9.11 H new ATOM 0 HA ASP A 58 12.634 7.943 -0.063 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.136 8.573 -2.137 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.753 8.323 -1.090 1.00 8.41 H new ATOM 927 N TYR A 59 10.039 6.562 1.346 1.00 7.97 N ATOM 928 CA TYR A 59 9.512 6.291 2.639 1.00 8.45 C ATOM 929 C TYR A 59 10.276 5.270 3.374 1.00 10.98 C ATOM 930 O TYR A 59 9.911 4.932 4.489 1.00 12.95 O ATOM 931 CB TYR A 59 8.044 5.782 2.536 1.00 7.94 C ATOM 932 CG TYR A 59 7.067 6.885 2.248 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.861 7.951 3.180 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.201 6.811 1.144 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.771 8.824 3.028 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.131 7.678 1.056 1.00 6.52 C ATOM 937 CZ TYR A 59 4.932 8.731 1.953 1.00 6.76 C ATOM 938 OH TYR A 59 3.865 9.609 1.628 1.00 7.63 O ATOM 0 H TYR A 59 9.590 6.032 0.599 1.00 7.97 H new ATOM 0 HA TYR A 59 9.572 7.235 3.180 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.979 5.030 1.750 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.767 5.292 3.469 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.546 8.085 4.004 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.372 6.079 0.368 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.592 9.583 3.775 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.416 7.537 0.259 1.00 6.52 H new ATOM 0 HH TYR A 59 4.223 10.412 1.195 1.00 7.63 H new ATOM 948 N ASN A 60 11.319 4.704 2.727 1.00 12.38 N ATOM 949 CA ASN A 60 12.286 3.822 3.383 1.00 13.94 C ATOM 950 C ASN A 60 11.758 2.332 3.491 1.00 14.16 C ATOM 951 O ASN A 60 12.285 1.539 4.246 1.00 14.26 O ATOM 952 CB ASN A 60 12.911 4.394 4.719 1.00 19.23 C ATOM 953 CG ASN A 60 14.214 3.767 4.981 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.081 3.570 4.137 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.488 3.427 6.258 1.00 24.09 N ATOM 0 H ASN A 60 11.506 4.851 1.735 1.00 12.38 H new ATOM 0 HA ASN A 60 13.147 3.788 2.715 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.029 5.475 4.640 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.235 4.207 5.554 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.393 3.020 6.495 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.790 3.577 6.987 1.00 24.09 H new ATOM 962 N ILE A 61 10.778 2.079 2.608 1.00 11.08 N ATOM 963 CA ILE A 61 10.071 0.802 2.609 1.00 11.78 C ATOM 964 C ILE A 61 10.948 -0.354 1.973 1.00 13.74 C ATOM 965 O ILE A 61 11.639 -0.281 0.947 1.00 14.60 O ATOM 966 CB ILE A 61 8.697 0.872 1.954 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.784 1.850 2.773 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.046 -0.530 2.061 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.411 2.259 2.228 1.00 11.42 C ATOM 0 H ILE A 61 10.465 2.738 1.895 1.00 11.08 H new ATOM 0 HA ILE A 61 9.899 0.561 3.658 1.00 11.78 H new ATOM 0 HB ILE A 61 8.799 1.203 0.921 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.622 1.398 3.752 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.354 2.765 2.935 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.059 -0.509 1.599 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.671 -1.261 1.549 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.949 -0.807 3.111 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.928 2.938 2.931 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.535 2.759 1.268 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.792 1.371 2.097 1.00 11.42 H new ATOM 981 N GLN A 62 11.108 -1.421 2.761 1.00 13.97 N ATOM 982 CA GLN A 62 12.096 -2.473 2.583 1.00 15.52 C ATOM 983 C GLN A 62 11.523 -3.919 2.351 1.00 13.94 C ATOM 984 O GLN A 62 10.341 -4.218 2.557 1.00 12.15 O ATOM 985 CB GLN A 62 12.985 -2.529 3.829 1.00 19.53 C ATOM 986 CG GLN A 62 13.943 -1.281 3.914 1.00 26.38 C ATOM 987 CD GLN A 62 14.888 -1.387 5.088 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.988 -0.804 5.054 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.498 -2.116 6.187 1.00 32.71 N ATOM 0 H GLN A 62 10.519 -1.576 3.579 1.00 13.97 H new ATOM 0 HA GLN A 62 12.631 -2.204 1.672 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.360 -2.570 4.721 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.578 -3.443 3.813 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.516 -1.198 2.991 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.350 -0.371 4.004 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.592 -2.585 6.193 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.114 -2.187 6.997 1.00 32.71 H new ATOM 998 N LYS A 63 12.411 -4.879 1.949 1.00 11.73 N ATOM 999 CA LYS A 63 12.139 -6.306 2.028 1.00 11.97 C ATOM 1000 C LYS A 63 11.405 -6.803 3.286 1.00 10.41 C ATOM 1001 O LYS A 63 11.878 -6.726 4.387 1.00 9.59 O ATOM 1002 CB LYS A 63 13.489 -7.068 1.899 1.00 13.73 C ATOM 1003 CG LYS A 63 13.621 -8.577 2.366 1.00 16.98 C ATOM 1004 CD LYS A 63 15.053 -9.116 2.146 1.00 20.19 C ATOM 1005 CE LYS A 63 15.376 -10.510 2.771 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.394 -11.504 2.341 1.00 25.97 N ATOM 0 H LYS A 63 13.330 -4.660 1.564 1.00 11.73 H new ATOM 0 HA LYS A 63 11.445 -6.508 1.212 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.777 -7.032 0.848 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.233 -6.496 2.453 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.360 -8.656 3.421 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.911 -9.193 1.814 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.235 -9.173 1.073 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.757 -8.389 2.551 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.376 -10.826 2.473 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.375 -10.436 3.859 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.671 -12.442 2.696 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.458 -11.253 2.718 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.354 -11.525 1.302 1.00 25.97 H new ATOM 1020 N GLU A 64 10.225 -7.395 3.018 1.00 10.04 N ATOM 1021 CA GLU A 64 9.277 -8.027 3.966 1.00 10.94 C ATOM 1022 C GLU A 64 8.696 -7.102 5.038 1.00 9.74 C ATOM 1023 O GLU A 64 8.484 -7.421 6.198 1.00 9.42 O ATOM 1024 CB GLU A 64 9.926 -9.312 4.499 1.00 18.31 C ATOM 1025 CG GLU A 64 10.108 -10.414 3.422 1.00 24.16 C ATOM 1026 CD GLU A 64 11.051 -11.522 3.885 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.330 -11.285 3.974 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.561 -12.670 4.071 1.00 31.72 O ATOM 0 H GLU A 64 9.880 -7.450 2.060 1.00 10.04 H new ATOM 0 HA GLU A 64 8.368 -8.285 3.423 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.900 -9.067 4.923 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.315 -9.707 5.310 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.137 -10.844 3.177 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.498 -9.966 2.508 1.00 24.16 H new ATOM 1035 N SER A 65 8.376 -5.879 4.564 1.00 6.85 N ATOM 1036 CA SER A 65 7.852 -4.859 5.394 1.00 6.90 C ATOM 1037 C SER A 65 6.355 -4.976 5.595 1.00 4.72 C ATOM 1038 O SER A 65 5.578 -5.430 4.789 1.00 3.91 O ATOM 1039 CB SER A 65 8.160 -3.468 4.761 1.00 7.28 C ATOM 1040 OG SER A 65 9.536 -3.180 4.702 1.00 10.56 O ATOM 0 H SER A 65 8.487 -5.605 3.588 1.00 6.85 H new ATOM 0 HA SER A 65 8.329 -4.966 6.368 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.744 -3.434 3.754 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.657 -2.693 5.340 1.00 7.28 H new ATOM 0 HG SER A 65 9.982 -3.833 4.123 1.00 10.56 H new ATOM 1046 N THR A 66 5.901 -4.487 6.734 1.00 4.48 N ATOM 1047 CA THR A 66 4.532 -4.645 7.173 1.00 3.80 C ATOM 1048 C THR A 66 3.757 -3.408 6.799 1.00 4.60 C ATOM 1049 O THR A 66 3.729 -2.347 7.486 1.00 5.33 O ATOM 1050 CB THR A 66 4.321 -4.757 8.683 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.091 -5.840 9.161 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.830 -5.129 8.953 1.00 3.40 C ATOM 0 H THR A 66 6.483 -3.962 7.387 1.00 4.48 H new ATOM 0 HA THR A 66 4.213 -5.574 6.700 1.00 3.80 H new ATOM 0 HB THR A 66 4.595 -3.818 9.163 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.969 -5.926 10.130 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.665 -5.212 10.027 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.182 -4.353 8.545 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.600 -6.082 8.476 1.00 3.40 H new ATOM 1060 N LEU A 67 3.079 -3.402 5.659 1.00 4.17 N ATOM 1061 CA LEU A 67 2.136 -2.310 5.343 1.00 3.85 C ATOM 1062 C LEU A 67 0.744 -2.639 5.970 1.00 3.80 C ATOM 1063 O LEU A 67 0.343 -3.763 6.087 1.00 5.54 O ATOM 1064 CB LEU A 67 1.966 -1.915 3.845 1.00 7.18 C ATOM 1065 CG LEU A 67 3.015 -0.816 3.439 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.460 -1.212 3.493 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.738 -0.363 1.974 1.00 11.66 C ATOM 0 H LEU A 67 3.154 -4.123 4.941 1.00 4.17 H new ATOM 0 HA LEU A 67 2.596 -1.425 5.782 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.092 -2.795 3.215 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.956 -1.542 3.674 1.00 7.18 H new ATOM 0 HG LEU A 67 2.877 -0.036 4.188 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.080 -0.368 3.191 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.719 -1.506 4.510 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.633 -2.050 2.818 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.462 0.399 1.686 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.827 -1.219 1.305 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.731 0.048 1.905 1.00 11.66 H new ATOM 1079 N HIS A 68 0.013 -1.553 6.370 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.284 -1.684 6.977 1.00 4.17 C ATOM 1081 C HIS A 68 -2.246 -0.997 6.045 1.00 5.32 C ATOM 1082 O HIS A 68 -1.946 0.117 5.596 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.345 -0.923 8.368 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.534 -1.483 9.509 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.778 -1.797 9.498 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.964 -1.698 10.789 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.128 -2.105 10.784 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.084 -2.108 11.607 1.00 16.30 N ATOM 0 H HIS A 68 0.330 -0.589 6.268 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.514 -2.736 7.146 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.025 0.106 8.202 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.387 -0.885 8.684 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.983 -1.567 11.121 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.139 -2.321 11.096 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.058 -2.352 12.597 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.326 -1.690 5.699 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.314 -1.216 4.749 1.00 3.97 C ATOM 1098 C LEU A 69 -5.581 -0.738 5.446 1.00 5.07 C ATOM 1099 O LEU A 69 -6.316 -1.524 6.067 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.766 -2.349 3.790 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.818 -2.087 2.718 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.427 -0.891 1.814 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.136 -3.317 1.777 1.00 9.96 C ATOM 0 H LEU A 69 -3.539 -2.612 6.080 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.830 -0.403 4.208 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.874 -2.714 3.281 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.136 -3.166 4.410 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.717 -1.871 3.295 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.201 -0.735 1.062 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.326 0.007 2.423 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.479 -1.103 1.320 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.895 -3.031 1.049 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.228 -3.620 1.255 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.504 -4.149 2.377 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.753 0.558 5.337 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.975 1.145 5.979 1.00 6.26 C ATOM 1117 C VAL A 70 -7.918 1.352 4.835 1.00 9.22 C ATOM 1118 O VAL A 70 -7.496 1.873 3.809 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.610 2.414 6.778 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.866 2.994 7.323 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.639 2.139 7.961 1.00 8.54 C ATOM 0 H VAL A 70 -5.134 1.210 4.856 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.444 0.511 6.731 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.100 3.095 6.097 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.634 3.894 7.893 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.536 3.248 6.502 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.350 2.266 7.975 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.424 3.073 8.480 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.101 1.436 8.655 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.711 1.714 7.579 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.222 0.880 4.907 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.127 1.129 3.763 1.00 16.06 C ATOM 1133 C LEU A 71 -11.078 2.404 3.829 1.00 18.09 C ATOM 1134 O LEU A 71 -11.743 2.789 4.791 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.975 -0.110 3.423 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.275 -1.342 2.858 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.298 -2.509 2.767 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.565 -1.094 1.546 1.00 19.57 C ATOM 0 H LEU A 71 -9.625 0.366 5.691 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.412 1.358 2.972 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.497 -0.413 4.331 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.736 0.197 2.705 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.474 -1.615 3.545 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.806 -3.394 2.364 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.686 -2.731 3.761 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.121 -2.222 2.112 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.092 -2.016 1.208 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.286 -0.762 0.799 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.805 -0.325 1.683 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.091 3.142 2.678 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.755 4.422 2.494 1.00 25.83 C ATOM 1152 C ARG A 72 -13.038 4.157 1.684 1.00 27.74 C ATOM 1153 O ARG A 72 -13.104 3.230 0.903 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.720 5.343 1.881 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.168 6.748 1.585 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.075 7.547 0.990 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.688 8.926 0.912 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.051 10.090 0.509 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.796 10.044 0.001 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.739 11.253 0.600 1.00 35.02 N ATOM 0 H ARG A 72 -10.613 2.828 1.834 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.100 4.922 3.399 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.864 5.392 2.554 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.369 4.893 0.952 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.017 6.725 0.902 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.510 7.224 2.504 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.179 7.535 1.610 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.787 7.174 0.007 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.668 9.009 1.183 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.314 9.149 -0.087 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.333 10.904 -0.294 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.695 11.254 0.956 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.301 12.128 0.312 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.107 4.927 1.886 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.343 4.882 1.122 1.00 30.76 C ATOM 1176 C LEU A 73 -15.117 5.770 -0.095 1.00 32.18 C ATOM 1177 O LEU A 73 -14.484 6.818 -0.007 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.558 5.397 1.919 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.822 4.598 3.196 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.742 5.313 4.214 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.357 3.195 2.820 1.00 29.11 C ATOM 0 H LEU A 73 -14.131 5.631 2.623 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.572 3.850 0.857 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.397 6.443 2.179 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.443 5.359 1.284 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.870 4.501 3.717 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.878 4.679 5.090 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.287 6.256 4.516 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.711 5.509 3.754 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.546 2.622 3.728 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.284 3.298 2.256 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.618 2.675 2.211 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.641 5.365 -1.271 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.244 6.118 -2.455 1.00 35.33 C ATOM 1195 C ARG A 74 -15.725 7.569 -2.441 1.00 36.22 C ATOM 1196 O ARG A 74 -15.039 8.429 -2.959 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.562 5.334 -3.776 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.588 5.683 -4.858 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.709 4.778 -6.111 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.763 5.155 -7.150 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.290 4.399 -8.126 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.729 3.154 -8.313 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.479 4.871 -9.095 1.00 41.93 N ATOM 0 H ARG A 74 -16.285 4.587 -1.414 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.158 6.210 -2.426 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.527 4.262 -3.583 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.575 5.566 -4.105 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.740 6.721 -5.153 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -13.575 5.609 -4.462 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.539 3.740 -5.826 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.723 4.839 -6.505 1.00 39.75 H new ATOM 0 HE ARG A 74 -13.424 6.117 -7.122 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.444 2.767 -7.697 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.350 2.588 -9.072 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.204 5.853 -9.096 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.141 4.246 -9.826 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.911 7.881 -1.834 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.456 9.255 -1.733 1.00 36.07 C ATOM 1219 C GLY A 75 -16.852 10.018 -0.541 1.00 36.16 C ATOM 1220 O GLY A 75 -17.198 11.195 -0.373 1.00 36.26 O ATOM 0 H GLY A 75 -17.511 7.178 -1.403 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.249 9.798 -2.655 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.540 9.210 -1.626 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.979 9.331 0.307 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.357 9.905 1.540 1.00 36.19 C ATOM 1226 C GLY A 76 -13.838 10.021 1.489 1.00 36.20 C ATOM 1227 O GLY A 76 -13.370 10.641 0.507 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.094 9.420 2.309 1.00 0.00 O ATOM 0 H GLY A 76 -15.701 8.365 0.136 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.778 10.895 1.717 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.633 9.285 2.393 1.00 36.19 H new TER 1232 GLY A 76