USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 647 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 5 MET CE :methyl -124:sc= -6.02! (180deg=-16!) USER MOD Set 1.2: A 70 THR OG1 : rot -140:sc= -0.597 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.599 (180deg=-1.45!) USER MOD Single : A 1 MET N :NH3+ -125:sc= -0.0405 (180deg=-1.81!) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.0931 (180deg=-0.434) USER MOD Single : A 12 GLN : amide:sc= -1.13 K(o=-1.1,f=-6.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0662 USER MOD Single : A 15 SER OG : rot 47:sc= 0.357 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 18 THR OG1 : rot -33:sc= 0.394 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 24 THR OG1 : rot -130:sc= -0.806 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 36 THR OG1 : rot -68:sc= 0.337 USER MOD Single : A 43 GLN : amide:sc= -1.99 X(o=-2,f=-1.7) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= -0.52 (180deg=-0.609) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -0.13 (180deg=-0.612) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0899 F(o=-0.7,f=-0.09) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= -0.0069 (180deg=-0.127) USER MOD Single : A 69 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.68) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -145:sc= -0.633 (180deg=-1.47) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 56:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.840 -0.533 -2.100 1.00 0.00 N ATOM 2 CA MET A 1 1.811 -1.038 -3.065 1.00 0.00 C ATOM 3 C MET A 1 3.216 -1.039 -2.472 1.00 0.00 C ATOM 4 O MET A 1 3.522 -0.255 -1.574 1.00 0.00 O ATOM 5 CB MET A 1 1.783 -0.191 -4.339 1.00 0.00 C ATOM 6 CG MET A 1 0.503 -0.348 -5.144 1.00 0.00 C ATOM 7 SD MET A 1 -0.810 0.753 -4.583 1.00 0.00 S ATOM 8 CE MET A 1 -2.030 -0.433 -4.024 1.00 0.00 C ATOM 0 H1 MET A 1 0.081 -1.233 -1.972 1.00 0.00 H new ATOM 0 H2 MET A 1 1.312 -0.364 -1.189 1.00 0.00 H new ATOM 0 H3 MET A 1 0.434 0.358 -2.450 1.00 0.00 H new ATOM 0 HA MET A 1 1.540 -2.064 -3.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.908 0.858 -4.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.632 -0.463 -4.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.713 -0.150 -6.195 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.160 -1.380 -5.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.541 -0.042 -3.145 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.756 -0.610 -4.818 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.536 -1.371 -3.769 1.00 0.00 H new ATOM 18 N ALA A 2 4.067 -1.924 -2.980 1.00 0.00 N ATOM 19 CA ALA A 2 5.440 -2.025 -2.502 1.00 0.00 C ATOM 20 C ALA A 2 6.381 -1.178 -3.351 1.00 0.00 C ATOM 21 O ALA A 2 6.468 -1.356 -4.567 1.00 0.00 O ATOM 22 CB ALA A 2 5.892 -3.478 -2.500 1.00 0.00 C ATOM 0 H ALA A 2 3.830 -2.582 -3.723 1.00 0.00 H new ATOM 0 HA ALA A 2 5.472 -1.644 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.919 -3.539 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.243 -4.060 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.837 -3.877 -3.513 1.00 0.00 H new ATOM 28 N LEU A 3 7.085 -0.255 -2.704 1.00 0.00 N ATOM 29 CA LEU A 3 8.020 0.622 -3.401 1.00 0.00 C ATOM 30 C LEU A 3 9.440 0.070 -3.329 1.00 0.00 C ATOM 31 O LEU A 3 9.850 -0.530 -2.335 1.00 0.00 O ATOM 32 CB LEU A 3 7.976 2.028 -2.800 1.00 0.00 C ATOM 33 CG LEU A 3 6.587 2.568 -2.458 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.179 2.141 -1.056 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.559 4.084 -2.585 1.00 0.00 C ATOM 0 H LEU A 3 7.026 -0.095 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 3 7.722 0.672 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.579 2.033 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.449 2.716 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 3 5.871 2.150 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.188 2.534 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.159 1.053 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.897 2.530 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.563 4.451 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.287 4.520 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.807 4.368 -3.608 1.00 0.00 H new ATOM 47 N PRO A 4 10.211 0.278 -4.407 1.00 0.00 N ATOM 48 CA PRO A 4 11.599 -0.188 -4.489 1.00 0.00 C ATOM 49 C PRO A 4 12.526 0.582 -3.555 1.00 0.00 C ATOM 50 O PRO A 4 13.030 1.648 -3.907 1.00 0.00 O ATOM 51 CB PRO A 4 11.974 0.073 -5.950 1.00 0.00 C ATOM 52 CG PRO A 4 11.076 1.180 -6.380 1.00 0.00 C ATOM 53 CD PRO A 4 9.789 0.986 -5.627 1.00 0.00 C ATOM 0 HA PRO A 4 11.697 -1.231 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.023 0.354 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.826 -0.817 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.518 2.151 -6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.907 1.149 -7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.312 1.938 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.071 0.402 -6.202 1.00 0.00 H new ATOM 61 N MET A 5 12.746 0.035 -2.364 1.00 0.00 N ATOM 62 CA MET A 5 13.614 0.671 -1.380 1.00 0.00 C ATOM 63 C MET A 5 14.473 -0.365 -0.662 1.00 0.00 C ATOM 64 O MET A 5 14.238 -1.568 -0.780 1.00 0.00 O ATOM 65 CB MET A 5 12.781 1.453 -0.363 1.00 0.00 C ATOM 66 CG MET A 5 11.473 1.983 -0.928 1.00 0.00 C ATOM 67 SD MET A 5 10.617 3.082 0.217 1.00 0.00 S ATOM 68 CE MET A 5 9.721 4.131 -0.925 1.00 0.00 C ATOM 0 H MET A 5 12.335 -0.847 -2.057 1.00 0.00 H new ATOM 0 HA MET A 5 14.273 1.361 -1.907 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.565 0.809 0.489 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.371 2.290 0.011 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.673 2.517 -1.857 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.822 1.144 -1.176 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.977 5.174 -0.738 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.991 3.869 -1.948 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.649 3.989 -0.785 1.00 0.00 H new ATOM 78 N ILE A 6 15.468 0.109 0.080 1.00 0.00 N ATOM 79 CA ILE A 6 16.360 -0.778 0.817 1.00 0.00 C ATOM 80 C ILE A 6 16.174 -0.618 2.322 1.00 0.00 C ATOM 81 O ILE A 6 16.028 0.495 2.826 1.00 0.00 O ATOM 82 CB ILE A 6 17.835 -0.513 0.463 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.055 -0.662 -1.044 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.743 -1.461 1.232 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.431 -0.227 -1.500 1.00 0.00 C ATOM 0 H ILE A 6 15.677 1.102 0.187 1.00 0.00 H new ATOM 0 HA ILE A 6 16.102 -1.797 0.528 1.00 0.00 H new ATOM 0 HB ILE A 6 18.084 0.509 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.901 -1.704 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.304 -0.075 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.782 -1.261 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.602 -1.311 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.496 -2.491 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.516 -0.360 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.582 0.823 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.188 -0.831 -0.999 1.00 0.00 H new ATOM 97 N VAL A 7 16.180 -1.740 3.036 1.00 0.00 N ATOM 98 CA VAL A 7 16.015 -1.725 4.484 1.00 0.00 C ATOM 99 C VAL A 7 17.356 -1.886 5.192 1.00 0.00 C ATOM 100 O VAL A 7 18.155 -2.755 4.843 1.00 0.00 O ATOM 101 CB VAL A 7 15.063 -2.842 4.952 1.00 0.00 C ATOM 102 CG1 VAL A 7 13.626 -2.508 4.582 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.479 -4.179 4.357 1.00 0.00 C ATOM 0 H VAL A 7 16.297 -2.670 2.635 1.00 0.00 H new ATOM 0 HA VAL A 7 15.584 -0.758 4.743 1.00 0.00 H new ATOM 0 HB VAL A 7 15.125 -2.918 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.968 -3.308 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.335 -1.572 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.544 -2.404 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.796 -4.957 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.447 -4.119 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.493 -4.420 4.677 1.00 0.00 H new ATOM 113 N LYS A 8 17.597 -1.042 6.190 1.00 0.00 N ATOM 114 CA LYS A 8 18.841 -1.090 6.949 1.00 0.00 C ATOM 115 C LYS A 8 18.570 -0.960 8.445 1.00 0.00 C ATOM 116 O LYS A 8 18.750 0.110 9.027 1.00 0.00 O ATOM 117 CB LYS A 8 19.785 0.024 6.492 1.00 0.00 C ATOM 118 CG LYS A 8 19.861 0.175 4.983 1.00 0.00 C ATOM 119 CD LYS A 8 21.030 1.053 4.569 1.00 0.00 C ATOM 120 CE LYS A 8 20.801 2.506 4.957 1.00 0.00 C ATOM 121 NZ LYS A 8 19.610 3.081 4.273 1.00 0.00 N ATOM 0 H LYS A 8 16.947 -0.316 6.492 1.00 0.00 H new ATOM 0 HA LYS A 8 19.313 -2.055 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 8 19.457 0.968 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.784 -0.176 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.962 -0.808 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.931 0.607 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.944 0.689 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.176 0.982 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.669 2.577 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.684 3.093 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.664 4.119 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.587 2.757 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.746 2.768 4.760 1.00 0.00 H new ATOM 135 N TRP A 9 18.138 -2.054 9.061 1.00 0.00 N ATOM 136 CA TRP A 9 17.844 -2.062 10.489 1.00 0.00 C ATOM 137 C TRP A 9 19.012 -2.636 11.283 1.00 0.00 C ATOM 138 O TRP A 9 19.736 -3.504 10.798 1.00 0.00 O ATOM 139 CB TRP A 9 16.576 -2.872 10.766 1.00 0.00 C ATOM 140 CG TRP A 9 16.298 -3.059 12.227 1.00 0.00 C ATOM 141 CD1 TRP A 9 15.970 -2.088 13.129 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.325 -4.292 12.953 1.00 0.00 C ATOM 143 NE1 TRP A 9 15.791 -2.644 14.373 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.003 -3.995 14.291 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.588 -5.619 12.602 1.00 0.00 C ATOM 146 CZ2 TRP A 9 15.938 -4.976 15.277 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.524 -6.592 13.582 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.201 -6.267 14.906 1.00 0.00 C ATOM 0 H TRP A 9 17.983 -2.947 8.594 1.00 0.00 H new ATOM 0 HA TRP A 9 17.685 -1.032 10.807 1.00 0.00 H new ATOM 0 HB2 TRP A 9 15.726 -2.372 10.303 1.00 0.00 H new ATOM 0 HB3 TRP A 9 16.667 -3.850 10.293 1.00 0.00 H new ATOM 0 HD1 TRP A 9 15.866 -1.038 12.899 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.541 -2.134 15.220 1.00 0.00 H new ATOM 0 HE3 TRP A 9 16.837 -5.880 11.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.689 -4.727 16.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.727 -7.621 13.322 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.159 -7.050 15.648 1.00 0.00 H new ATOM 159 N GLY A 10 19.190 -2.145 12.506 1.00 0.00 N ATOM 160 CA GLY A 10 20.272 -2.623 13.346 1.00 0.00 C ATOM 161 C GLY A 10 20.268 -4.131 13.497 1.00 0.00 C ATOM 162 O GLY A 10 19.453 -4.686 14.233 1.00 0.00 O ATOM 0 H GLY A 10 18.604 -1.425 12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.224 -2.306 12.921 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.194 -2.162 14.331 1.00 0.00 H new ATOM 166 N GLY A 11 21.180 -4.797 12.795 1.00 0.00 N ATOM 167 CA GLY A 11 21.259 -6.244 12.866 1.00 0.00 C ATOM 168 C GLY A 11 21.213 -6.896 11.498 1.00 0.00 C ATOM 169 O GLY A 11 21.923 -7.868 11.244 1.00 0.00 O ATOM 0 H GLY A 11 21.865 -4.360 12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.182 -6.530 13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.435 -6.620 13.472 1.00 0.00 H new ATOM 173 N GLN A 12 20.375 -6.360 10.617 1.00 0.00 N ATOM 174 CA GLN A 12 20.238 -6.898 9.269 1.00 0.00 C ATOM 175 C GLN A 12 19.929 -5.788 8.269 1.00 0.00 C ATOM 176 O GLN A 12 19.135 -4.891 8.550 1.00 0.00 O ATOM 177 CB GLN A 12 19.135 -7.957 9.229 1.00 0.00 C ATOM 178 CG GLN A 12 17.796 -7.460 9.748 1.00 0.00 C ATOM 179 CD GLN A 12 16.621 -8.083 9.020 1.00 0.00 C ATOM 180 OE1 GLN A 12 15.891 -8.902 9.580 1.00 0.00 O ATOM 181 NE2 GLN A 12 16.430 -7.696 7.764 1.00 0.00 N ATOM 0 H GLN A 12 19.781 -5.554 10.812 1.00 0.00 H new ATOM 0 HA GLN A 12 21.186 -7.360 8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.012 -8.303 8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 12 19.448 -8.818 9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.718 -7.682 10.812 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.750 -6.376 9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.059 -7.015 7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.654 -8.080 7.224 1.00 0.00 H new ATOM 190 N GLU A 13 20.564 -5.856 7.103 1.00 0.00 N ATOM 191 CA GLU A 13 20.357 -4.855 6.062 1.00 0.00 C ATOM 192 C GLU A 13 19.905 -5.510 4.760 1.00 0.00 C ATOM 193 O GLU A 13 20.726 -5.872 3.917 1.00 0.00 O ATOM 194 CB GLU A 13 21.642 -4.060 5.826 1.00 0.00 C ATOM 195 CG GLU A 13 21.546 -3.075 4.673 1.00 0.00 C ATOM 196 CD GLU A 13 22.458 -1.877 4.851 1.00 0.00 C ATOM 197 OE1 GLU A 13 22.692 -1.477 6.011 1.00 0.00 O ATOM 198 OE2 GLU A 13 22.938 -1.340 3.831 1.00 0.00 O ATOM 0 H GLU A 13 21.225 -6.592 6.855 1.00 0.00 H new ATOM 0 HA GLU A 13 19.574 -4.175 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.895 -3.517 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.459 -4.755 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.799 -3.584 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.516 -2.732 4.578 1.00 0.00 H new ATOM 205 N TYR A 14 18.594 -5.660 4.604 1.00 0.00 N ATOM 206 CA TYR A 14 18.032 -6.273 3.407 1.00 0.00 C ATOM 207 C TYR A 14 17.658 -5.213 2.376 1.00 0.00 C ATOM 208 O TYR A 14 17.979 -4.035 2.535 1.00 0.00 O ATOM 209 CB TYR A 14 16.801 -7.107 3.766 1.00 0.00 C ATOM 210 CG TYR A 14 16.762 -8.455 3.082 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.762 -9.395 3.299 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.726 -8.788 2.218 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.732 -10.628 2.676 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.687 -10.019 1.592 1.00 0.00 C ATOM 215 CZ TYR A 14 16.692 -10.935 1.823 1.00 0.00 C ATOM 216 OH TYR A 14 16.657 -12.161 1.200 1.00 0.00 O ATOM 0 H TYR A 14 17.901 -5.365 5.292 1.00 0.00 H new ATOM 0 HA TYR A 14 18.791 -6.924 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.776 -7.256 4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.904 -6.548 3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.577 -9.158 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.938 -8.073 2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.518 -11.347 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.873 -10.263 0.925 1.00 0.00 H new ATOM 0 HH TYR A 14 15.859 -12.218 0.634 1.00 0.00 H new ATOM 226 N SER A 15 16.977 -5.641 1.317 1.00 0.00 N ATOM 227 CA SER A 15 16.562 -4.730 0.257 1.00 0.00 C ATOM 228 C SER A 15 15.149 -5.058 -0.218 1.00 0.00 C ATOM 229 O SER A 15 14.930 -6.050 -0.913 1.00 0.00 O ATOM 230 CB SER A 15 17.537 -4.804 -0.919 1.00 0.00 C ATOM 231 OG SER A 15 17.738 -6.145 -1.332 1.00 0.00 O ATOM 0 H SER A 15 16.701 -6.612 1.171 1.00 0.00 H new ATOM 0 HA SER A 15 16.566 -3.717 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.151 -4.217 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.491 -4.362 -0.633 1.00 0.00 H new ATOM 0 HG SER A 15 16.872 -6.598 -1.407 1.00 0.00 H new ATOM 237 N VAL A 16 14.194 -4.216 0.163 1.00 0.00 N ATOM 238 CA VAL A 16 12.802 -4.414 -0.224 1.00 0.00 C ATOM 239 C VAL A 16 12.516 -3.792 -1.586 1.00 0.00 C ATOM 240 O VAL A 16 11.572 -3.017 -1.742 1.00 0.00 O ATOM 241 CB VAL A 16 11.839 -3.811 0.816 1.00 0.00 C ATOM 242 CG1 VAL A 16 11.907 -4.590 2.121 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.156 -2.341 1.046 1.00 0.00 C ATOM 0 H VAL A 16 14.358 -3.390 0.739 1.00 0.00 H new ATOM 0 HA VAL A 16 12.639 -5.490 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 16 10.822 -3.884 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.220 -4.150 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.627 -5.628 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.922 -4.551 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.466 -1.931 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.178 -2.242 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.051 -1.795 0.108 1.00 0.00 H new ATOM 253 N THR A 17 13.338 -4.136 -2.572 1.00 0.00 N ATOM 254 CA THR A 17 13.175 -3.611 -3.922 1.00 0.00 C ATOM 255 C THR A 17 11.952 -4.215 -4.603 1.00 0.00 C ATOM 256 O THR A 17 11.499 -5.302 -4.240 1.00 0.00 O ATOM 257 CB THR A 17 14.419 -3.888 -4.787 1.00 0.00 C ATOM 258 OG1 THR A 17 14.189 -3.450 -6.131 1.00 0.00 O ATOM 259 CG2 THR A 17 14.761 -5.371 -4.783 1.00 0.00 C ATOM 0 H THR A 17 14.124 -4.776 -2.461 1.00 0.00 H new ATOM 0 HA THR A 17 13.040 -2.534 -3.828 1.00 0.00 H new ATOM 0 HB THR A 17 15.259 -3.336 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.985 -3.628 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.643 -5.543 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.964 -5.695 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.921 -5.939 -5.184 1.00 0.00 H new ATOM 267 N THR A 18 11.419 -3.505 -5.592 1.00 0.00 N ATOM 268 CA THR A 18 10.248 -3.971 -6.323 1.00 0.00 C ATOM 269 C THR A 18 10.619 -5.068 -7.315 1.00 0.00 C ATOM 270 O THR A 18 9.748 -5.677 -7.937 1.00 0.00 O ATOM 271 CB THR A 18 9.564 -2.818 -7.082 1.00 0.00 C ATOM 272 OG1 THR A 18 8.331 -3.271 -7.653 1.00 0.00 O ATOM 273 CG2 THR A 18 10.470 -2.281 -8.180 1.00 0.00 C ATOM 0 H THR A 18 11.780 -2.604 -5.905 1.00 0.00 H new ATOM 0 HA THR A 18 9.554 -4.373 -5.585 1.00 0.00 H new ATOM 0 HB THR A 18 9.362 -2.015 -6.374 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.416 -4.213 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.966 -1.468 -8.702 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.396 -1.911 -7.739 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.698 -3.079 -8.886 1.00 0.00 H new ATOM 281 N LEU A 19 11.916 -5.316 -7.457 1.00 0.00 N ATOM 282 CA LEU A 19 12.403 -6.341 -8.373 1.00 0.00 C ATOM 283 C LEU A 19 12.078 -5.979 -9.819 1.00 0.00 C ATOM 284 O LEU A 19 11.583 -4.887 -10.099 1.00 0.00 O ATOM 285 CB LEU A 19 11.788 -7.698 -8.025 1.00 0.00 C ATOM 286 CG LEU A 19 11.593 -7.984 -6.536 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.896 -9.321 -6.336 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.929 -7.963 -5.809 1.00 0.00 C ATOM 0 H LEU A 19 12.649 -4.821 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 19 13.486 -6.402 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.819 -7.773 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.421 -8.480 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 19 10.961 -7.202 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.766 -9.508 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.921 -9.299 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.501 -10.116 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.770 -8.169 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.585 -8.723 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.390 -6.982 -5.923 1.00 0.00 H new ATOM 300 N SER A 20 12.358 -6.902 -10.732 1.00 0.00 N ATOM 301 CA SER A 20 12.097 -6.680 -12.150 1.00 0.00 C ATOM 302 C SER A 20 10.669 -7.079 -12.509 1.00 0.00 C ATOM 303 O SER A 20 9.907 -7.530 -11.654 1.00 0.00 O ATOM 304 CB SER A 20 13.090 -7.471 -13.003 1.00 0.00 C ATOM 305 OG SER A 20 13.259 -6.872 -14.276 1.00 0.00 O ATOM 0 H SER A 20 12.766 -7.812 -10.516 1.00 0.00 H new ATOM 0 HA SER A 20 12.220 -5.616 -12.354 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.051 -7.524 -12.492 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.736 -8.495 -13.123 1.00 0.00 H new ATOM 0 HG SER A 20 13.900 -7.395 -14.801 1.00 0.00 H new ATOM 311 N GLU A 21 10.315 -6.909 -13.779 1.00 0.00 N ATOM 312 CA GLU A 21 8.979 -7.251 -14.251 1.00 0.00 C ATOM 313 C GLU A 21 8.780 -8.764 -14.275 1.00 0.00 C ATOM 314 O GLU A 21 7.665 -9.258 -14.108 1.00 0.00 O ATOM 315 CB GLU A 21 8.743 -6.673 -15.648 1.00 0.00 C ATOM 316 CG GLU A 21 9.809 -7.066 -16.657 1.00 0.00 C ATOM 317 CD GLU A 21 9.413 -6.737 -18.083 1.00 0.00 C ATOM 318 OE1 GLU A 21 8.209 -6.514 -18.328 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.307 -6.703 -18.954 1.00 0.00 O ATOM 0 H GLU A 21 10.935 -6.537 -14.499 1.00 0.00 H new ATOM 0 HA GLU A 21 8.256 -6.818 -13.559 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.771 -7.007 -16.011 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.702 -5.586 -15.580 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.740 -6.553 -16.415 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.004 -8.135 -16.576 1.00 0.00 H new ATOM 326 N ASP A 22 9.870 -9.494 -14.483 1.00 0.00 N ATOM 327 CA ASP A 22 9.818 -10.951 -14.529 1.00 0.00 C ATOM 328 C ASP A 22 9.352 -11.520 -13.193 1.00 0.00 C ATOM 329 O ASP A 22 8.817 -12.627 -13.131 1.00 0.00 O ATOM 330 CB ASP A 22 11.191 -11.521 -14.890 1.00 0.00 C ATOM 331 CG ASP A 22 11.093 -12.833 -15.644 1.00 0.00 C ATOM 332 OD1 ASP A 22 10.255 -12.926 -16.566 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.854 -13.765 -15.312 1.00 0.00 O ATOM 0 H ASP A 22 10.801 -9.101 -14.623 1.00 0.00 H new ATOM 0 HA ASP A 22 9.101 -11.240 -15.297 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.734 -10.796 -15.497 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.770 -11.671 -13.979 1.00 0.00 H new ATOM 338 N ASP A 23 9.561 -10.757 -12.126 1.00 0.00 N ATOM 339 CA ASP A 23 9.162 -11.185 -10.790 1.00 0.00 C ATOM 340 C ASP A 23 8.055 -10.290 -10.240 1.00 0.00 C ATOM 341 O ASP A 23 7.511 -9.448 -10.954 1.00 0.00 O ATOM 342 CB ASP A 23 10.365 -11.167 -9.845 1.00 0.00 C ATOM 343 CG ASP A 23 11.512 -12.019 -10.353 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.300 -13.230 -10.570 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.622 -11.475 -10.531 1.00 0.00 O ATOM 0 H ASP A 23 10.004 -9.839 -12.160 1.00 0.00 H new ATOM 0 HA ASP A 23 8.780 -12.203 -10.861 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.708 -10.140 -9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.057 -11.525 -8.863 1.00 0.00 H new ATOM 350 N THR A 24 7.726 -10.480 -8.966 1.00 0.00 N ATOM 351 CA THR A 24 6.683 -9.693 -8.321 1.00 0.00 C ATOM 352 C THR A 24 6.987 -9.483 -6.842 1.00 0.00 C ATOM 353 O THR A 24 7.864 -10.139 -6.279 1.00 0.00 O ATOM 354 CB THR A 24 5.304 -10.366 -8.460 1.00 0.00 C ATOM 355 OG1 THR A 24 5.466 -11.766 -8.716 1.00 0.00 O ATOM 356 CG2 THR A 24 4.501 -9.729 -9.584 1.00 0.00 C ATOM 0 H THR A 24 8.167 -11.172 -8.361 1.00 0.00 H new ATOM 0 HA THR A 24 6.660 -8.727 -8.825 1.00 0.00 H new ATOM 0 HB THR A 24 4.761 -10.228 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.919 -12.023 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.532 -10.221 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.354 -8.670 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.041 -9.839 -10.524 1.00 0.00 H new ATOM 364 N VAL A 25 6.257 -8.565 -6.217 1.00 0.00 N ATOM 365 CA VAL A 25 6.447 -8.271 -4.801 1.00 0.00 C ATOM 366 C VAL A 25 6.210 -9.510 -3.945 1.00 0.00 C ATOM 367 O VAL A 25 6.777 -9.647 -2.861 1.00 0.00 O ATOM 368 CB VAL A 25 5.506 -7.146 -4.330 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.514 -7.044 -2.813 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.901 -5.821 -4.964 1.00 0.00 C ATOM 0 H VAL A 25 5.529 -8.012 -6.669 1.00 0.00 H new ATOM 0 HA VAL A 25 7.480 -7.944 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 25 4.492 -7.387 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.844 -6.244 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.179 -7.988 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.525 -6.827 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.226 -5.038 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.923 -5.571 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.838 -5.904 -6.049 1.00 0.00 H new ATOM 380 N LEU A 26 5.368 -10.411 -4.440 1.00 0.00 N ATOM 381 CA LEU A 26 5.055 -11.641 -3.720 1.00 0.00 C ATOM 382 C LEU A 26 6.327 -12.406 -3.370 1.00 0.00 C ATOM 383 O LEU A 26 6.441 -12.977 -2.286 1.00 0.00 O ATOM 384 CB LEU A 26 4.129 -12.524 -4.559 1.00 0.00 C ATOM 385 CG LEU A 26 4.569 -12.777 -6.002 1.00 0.00 C ATOM 386 CD1 LEU A 26 5.422 -14.033 -6.087 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.358 -12.889 -6.917 1.00 0.00 C ATOM 0 H LEU A 26 4.890 -10.313 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 26 4.549 -11.372 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.025 -13.486 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.140 -12.065 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 26 5.171 -11.931 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.726 -14.197 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.308 -13.914 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.845 -14.889 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.690 -13.069 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.729 -13.717 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.786 -11.962 -6.879 1.00 0.00 H new ATOM 399 N ASP A 27 7.281 -12.411 -4.294 1.00 0.00 N ATOM 400 CA ASP A 27 8.547 -13.103 -4.082 1.00 0.00 C ATOM 401 C ASP A 27 9.300 -12.507 -2.896 1.00 0.00 C ATOM 402 O ASP A 27 9.500 -13.171 -1.878 1.00 0.00 O ATOM 403 CB ASP A 27 9.412 -13.026 -5.341 1.00 0.00 C ATOM 404 CG ASP A 27 9.199 -14.211 -6.263 1.00 0.00 C ATOM 405 OD1 ASP A 27 9.512 -15.347 -5.851 1.00 0.00 O ATOM 406 OD2 ASP A 27 8.719 -14.001 -7.396 1.00 0.00 O ATOM 0 H ASP A 27 7.202 -11.944 -5.197 1.00 0.00 H new ATOM 0 HA ASP A 27 8.329 -14.148 -3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.185 -12.105 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.462 -12.977 -5.054 1.00 0.00 H new ATOM 411 N LEU A 28 9.716 -11.254 -3.035 1.00 0.00 N ATOM 412 CA LEU A 28 10.448 -10.569 -1.976 1.00 0.00 C ATOM 413 C LEU A 28 9.695 -10.652 -0.652 1.00 0.00 C ATOM 414 O LEU A 28 10.299 -10.637 0.421 1.00 0.00 O ATOM 415 CB LEU A 28 10.679 -9.104 -2.353 1.00 0.00 C ATOM 416 CG LEU A 28 9.571 -8.127 -1.960 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.825 -7.562 -0.571 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.462 -7.005 -2.982 1.00 0.00 C ATOM 0 H LEU A 28 9.559 -10.691 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 28 11.412 -11.063 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.609 -8.773 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.822 -9.046 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 28 8.625 -8.669 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.026 -6.869 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.852 -8.376 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.780 -7.036 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.668 -6.319 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.408 -6.465 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.232 -7.426 -3.961 1.00 0.00 H new ATOM 430 N LYS A 29 8.372 -10.741 -0.735 1.00 0.00 N ATOM 431 CA LYS A 29 7.534 -10.831 0.456 1.00 0.00 C ATOM 432 C LYS A 29 7.864 -12.085 1.259 1.00 0.00 C ATOM 433 O LYS A 29 8.094 -12.016 2.466 1.00 0.00 O ATOM 434 CB LYS A 29 6.055 -10.837 0.064 1.00 0.00 C ATOM 435 CG LYS A 29 5.115 -10.609 1.236 1.00 0.00 C ATOM 436 CD LYS A 29 4.866 -11.893 2.009 1.00 0.00 C ATOM 437 CE LYS A 29 3.671 -11.760 2.941 1.00 0.00 C ATOM 438 NZ LYS A 29 3.553 -12.925 3.861 1.00 0.00 N ATOM 0 H LYS A 29 7.856 -10.753 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 29 7.735 -9.959 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.883 -10.064 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.815 -11.792 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.539 -9.858 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.167 -10.213 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.695 -12.712 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.754 -12.148 2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.766 -10.844 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.759 -11.669 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.727 -12.797 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.437 -13.796 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.413 -12.997 4.442 1.00 0.00 H new ATOM 452 N GLN A 30 7.885 -13.228 0.581 1.00 0.00 N ATOM 453 CA GLN A 30 8.187 -14.497 1.233 1.00 0.00 C ATOM 454 C GLN A 30 9.602 -14.492 1.804 1.00 0.00 C ATOM 455 O GLN A 30 9.871 -15.123 2.827 1.00 0.00 O ATOM 456 CB GLN A 30 8.028 -15.653 0.245 1.00 0.00 C ATOM 457 CG GLN A 30 6.579 -16.011 -0.044 1.00 0.00 C ATOM 458 CD GLN A 30 6.428 -17.392 -0.651 1.00 0.00 C ATOM 459 OE1 GLN A 30 5.966 -17.539 -1.783 1.00 0.00 O ATOM 460 NE2 GLN A 30 6.818 -18.415 0.101 1.00 0.00 N ATOM 0 H GLN A 30 7.697 -13.301 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 30 7.483 -14.631 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.522 -15.391 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.539 -16.531 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.005 -15.960 0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.155 -15.272 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.195 -18.248 1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.740 -19.368 -0.254 1.00 0.00 H new ATOM 469 N PHE A 31 10.501 -13.777 1.137 1.00 0.00 N ATOM 470 CA PHE A 31 11.889 -13.691 1.578 1.00 0.00 C ATOM 471 C PHE A 31 11.981 -13.064 2.965 1.00 0.00 C ATOM 472 O PHE A 31 12.712 -13.547 3.831 1.00 0.00 O ATOM 473 CB PHE A 31 12.713 -12.875 0.580 1.00 0.00 C ATOM 474 CG PHE A 31 13.367 -13.710 -0.483 1.00 0.00 C ATOM 475 CD1 PHE A 31 14.386 -14.592 -0.161 1.00 0.00 C ATOM 476 CD2 PHE A 31 12.964 -13.613 -1.805 1.00 0.00 C ATOM 477 CE1 PHE A 31 14.989 -15.363 -1.136 1.00 0.00 C ATOM 478 CE2 PHE A 31 13.563 -14.381 -2.785 1.00 0.00 C ATOM 479 CZ PHE A 31 14.578 -15.256 -2.450 1.00 0.00 C ATOM 0 H PHE A 31 10.294 -13.249 0.289 1.00 0.00 H new ATOM 0 HA PHE A 31 12.292 -14.703 1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 31 12.066 -12.138 0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.482 -12.323 1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.713 -14.678 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.172 -12.929 -2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 31 15.781 -16.048 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 31 13.238 -14.297 -3.812 1.00 0.00 H new ATOM 0 HZ PHE A 31 15.049 -15.856 -3.215 1.00 0.00 H new ATOM 489 N LEU A 32 11.236 -11.983 3.170 1.00 0.00 N ATOM 490 CA LEU A 32 11.233 -11.287 4.452 1.00 0.00 C ATOM 491 C LEU A 32 10.561 -12.133 5.529 1.00 0.00 C ATOM 492 O LEU A 32 10.905 -12.044 6.708 1.00 0.00 O ATOM 493 CB LEU A 32 10.516 -9.942 4.323 1.00 0.00 C ATOM 494 CG LEU A 32 11.050 -8.998 3.246 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.269 -7.693 3.245 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.534 -8.734 3.456 1.00 0.00 C ATOM 0 H LEU A 32 10.626 -11.570 2.465 1.00 0.00 H new ATOM 0 HA LEU A 32 12.268 -11.113 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.462 -10.133 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.569 -9.431 5.284 1.00 0.00 H new ATOM 0 HG LEU A 32 10.921 -9.475 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.663 -7.034 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.217 -7.898 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.366 -7.210 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.897 -8.060 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.688 -8.278 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.082 -9.675 3.405 1.00 0.00 H new ATOM 508 N LYS A 33 9.603 -12.955 5.116 1.00 0.00 N ATOM 509 CA LYS A 33 8.884 -13.821 6.044 1.00 0.00 C ATOM 510 C LYS A 33 9.761 -14.987 6.491 1.00 0.00 C ATOM 511 O LYS A 33 9.612 -15.501 7.600 1.00 0.00 O ATOM 512 CB LYS A 33 7.605 -14.351 5.392 1.00 0.00 C ATOM 513 CG LYS A 33 7.161 -15.699 5.933 1.00 0.00 C ATOM 514 CD LYS A 33 7.770 -16.845 5.142 1.00 0.00 C ATOM 515 CE LYS A 33 6.771 -17.974 4.939 1.00 0.00 C ATOM 516 NZ LYS A 33 7.418 -19.194 4.381 1.00 0.00 N ATOM 0 H LYS A 33 9.306 -13.040 4.144 1.00 0.00 H new ATOM 0 HA LYS A 33 8.619 -13.231 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.804 -13.627 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.763 -14.434 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.450 -15.785 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.074 -15.767 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.110 -16.480 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.648 -17.224 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.299 -18.217 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.980 -17.642 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.704 -19.940 4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.847 -18.969 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.156 -19.526 5.035 1.00 0.00 H new ATOM 530 N THR A 34 10.678 -15.399 5.621 1.00 0.00 N ATOM 531 CA THR A 34 11.578 -16.504 5.925 1.00 0.00 C ATOM 532 C THR A 34 12.840 -16.008 6.622 1.00 0.00 C ATOM 533 O THR A 34 13.428 -16.715 7.441 1.00 0.00 O ATOM 534 CB THR A 34 11.977 -17.271 4.651 1.00 0.00 C ATOM 535 OG1 THR A 34 12.230 -16.351 3.584 1.00 0.00 O ATOM 536 CG2 THR A 34 10.882 -18.244 4.240 1.00 0.00 C ATOM 0 H THR A 34 10.817 -14.984 4.700 1.00 0.00 H new ATOM 0 HA THR A 34 11.038 -17.177 6.591 1.00 0.00 H new ATOM 0 HB THR A 34 12.884 -17.838 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.379 -16.027 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.186 -18.774 3.338 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.713 -18.961 5.043 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.961 -17.694 4.045 1.00 0.00 H new ATOM 544 N LEU A 35 13.251 -14.788 6.293 1.00 0.00 N ATOM 545 CA LEU A 35 14.444 -14.196 6.889 1.00 0.00 C ATOM 546 C LEU A 35 14.119 -13.549 8.231 1.00 0.00 C ATOM 547 O LEU A 35 14.827 -13.751 9.219 1.00 0.00 O ATOM 548 CB LEU A 35 15.050 -13.158 5.942 1.00 0.00 C ATOM 549 CG LEU A 35 16.194 -13.647 5.054 1.00 0.00 C ATOM 550 CD1 LEU A 35 15.728 -13.786 3.613 1.00 0.00 C ATOM 551 CD2 LEU A 35 17.381 -12.699 5.143 1.00 0.00 C ATOM 0 H LEU A 35 12.776 -14.190 5.617 1.00 0.00 H new ATOM 0 HA LEU A 35 15.169 -14.992 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.257 -12.774 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 35 15.412 -12.320 6.537 1.00 0.00 H new ATOM 0 HG LEU A 35 16.511 -14.628 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.555 -14.135 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.910 -14.504 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.385 -12.819 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.186 -13.063 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.078 -11.705 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.730 -12.649 6.174 1.00 0.00 H new ATOM 563 N THR A 36 13.042 -12.770 8.261 1.00 0.00 N ATOM 564 CA THR A 36 12.621 -12.094 9.482 1.00 0.00 C ATOM 565 C THR A 36 11.372 -12.742 10.068 1.00 0.00 C ATOM 566 O THR A 36 11.262 -12.917 11.280 1.00 0.00 O ATOM 567 CB THR A 36 12.340 -10.601 9.229 1.00 0.00 C ATOM 568 OG1 THR A 36 11.001 -10.429 8.751 1.00 0.00 O ATOM 569 CG2 THR A 36 13.322 -10.029 8.217 1.00 0.00 C ATOM 0 H THR A 36 12.445 -12.592 7.453 1.00 0.00 H new ATOM 0 HA THR A 36 13.442 -12.187 10.193 1.00 0.00 H new ATOM 0 HB THR A 36 12.461 -10.067 10.171 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.921 -10.818 7.855 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.104 -8.974 8.055 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.338 -10.135 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.228 -10.568 7.274 1.00 0.00 H new ATOM 577 N GLY A 37 10.432 -13.099 9.197 1.00 0.00 N ATOM 578 CA GLY A 37 9.203 -13.725 9.648 1.00 0.00 C ATOM 579 C GLY A 37 8.555 -12.972 10.793 1.00 0.00 C ATOM 580 O GLY A 37 7.858 -13.563 11.618 1.00 0.00 O ATOM 0 H GLY A 37 10.500 -12.966 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.503 -13.786 8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.414 -14.747 9.962 1.00 0.00 H new ATOM 584 N VAL A 38 8.787 -11.665 10.846 1.00 0.00 N ATOM 585 CA VAL A 38 8.221 -10.830 11.899 1.00 0.00 C ATOM 586 C VAL A 38 7.325 -9.743 11.317 1.00 0.00 C ATOM 587 O VAL A 38 6.528 -9.132 12.031 1.00 0.00 O ATOM 588 CB VAL A 38 9.325 -10.171 12.747 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.147 -9.211 11.900 1.00 0.00 C ATOM 590 CG2 VAL A 38 8.721 -9.454 13.944 1.00 0.00 C ATOM 0 H VAL A 38 9.363 -11.161 10.172 1.00 0.00 H new ATOM 0 HA VAL A 38 7.626 -11.484 12.536 1.00 0.00 H new ATOM 0 HB VAL A 38 9.989 -10.952 13.117 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.922 -8.755 12.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.611 -9.757 11.078 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.498 -8.433 11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.516 -8.994 14.532 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.034 -8.683 13.597 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.180 -10.170 14.562 1.00 0.00 H new ATOM 600 N LEU A 39 7.460 -9.506 10.017 1.00 0.00 N ATOM 601 CA LEU A 39 6.661 -8.492 9.337 1.00 0.00 C ATOM 602 C LEU A 39 5.177 -8.680 9.633 1.00 0.00 C ATOM 603 O LEU A 39 4.505 -7.791 10.157 1.00 0.00 O ATOM 604 CB LEU A 39 6.904 -8.550 7.828 1.00 0.00 C ATOM 605 CG LEU A 39 7.972 -7.601 7.283 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.313 -7.868 7.949 1.00 0.00 C ATOM 607 CD2 LEU A 39 8.088 -7.739 5.772 1.00 0.00 C ATOM 0 H LEU A 39 8.115 -10.002 9.413 1.00 0.00 H new ATOM 0 HA LEU A 39 6.966 -7.514 9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.184 -9.570 7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.963 -8.336 7.320 1.00 0.00 H new ATOM 0 HG LEU A 39 7.673 -6.578 7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.061 -7.183 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.222 -7.717 9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.619 -8.895 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.853 -7.056 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.363 -8.763 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.131 -7.497 5.310 1.00 0.00 H new ATOM 619 N PRO A 40 4.650 -9.865 9.290 1.00 0.00 N ATOM 620 CA PRO A 40 3.240 -10.198 9.511 1.00 0.00 C ATOM 621 C PRO A 40 2.910 -10.369 10.990 1.00 0.00 C ATOM 622 O PRO A 40 1.745 -10.506 11.363 1.00 0.00 O ATOM 623 CB PRO A 40 3.069 -11.526 8.769 1.00 0.00 C ATOM 624 CG PRO A 40 4.432 -12.126 8.746 1.00 0.00 C ATOM 625 CD PRO A 40 5.391 -10.971 8.661 1.00 0.00 C ATOM 0 HA PRO A 40 2.575 -9.409 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.359 -12.176 9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.688 -11.369 7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.613 -12.718 9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.550 -12.795 7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.322 -11.182 9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.654 -10.742 7.628 1.00 0.00 H new ATOM 633 N GLU A 41 3.942 -10.358 11.828 1.00 0.00 N ATOM 634 CA GLU A 41 3.760 -10.512 13.266 1.00 0.00 C ATOM 635 C GLU A 41 3.732 -9.153 13.960 1.00 0.00 C ATOM 636 O GLU A 41 2.672 -8.663 14.348 1.00 0.00 O ATOM 637 CB GLU A 41 4.878 -11.375 13.855 1.00 0.00 C ATOM 638 CG GLU A 41 4.808 -12.832 13.432 1.00 0.00 C ATOM 639 CD GLU A 41 5.579 -13.748 14.363 1.00 0.00 C ATOM 640 OE1 GLU A 41 5.177 -13.873 15.539 1.00 0.00 O ATOM 641 OE2 GLU A 41 6.584 -14.339 13.916 1.00 0.00 O ATOM 0 H GLU A 41 4.912 -10.244 11.535 1.00 0.00 H new ATOM 0 HA GLU A 41 2.803 -11.006 13.434 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.841 -10.963 13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.835 -11.319 14.943 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.765 -13.147 13.400 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.203 -12.932 12.421 1.00 0.00 H new ATOM 648 N ARG A 42 4.907 -8.549 14.112 1.00 0.00 N ATOM 649 CA ARG A 42 5.018 -7.248 14.759 1.00 0.00 C ATOM 650 C ARG A 42 6.067 -6.383 14.065 1.00 0.00 C ATOM 651 O ARG A 42 7.265 -6.536 14.301 1.00 0.00 O ATOM 652 CB ARG A 42 5.379 -7.419 16.236 1.00 0.00 C ATOM 653 CG ARG A 42 4.326 -8.165 17.038 1.00 0.00 C ATOM 654 CD ARG A 42 4.361 -7.771 18.507 1.00 0.00 C ATOM 655 NE ARG A 42 4.065 -6.354 18.700 1.00 0.00 N ATOM 656 CZ ARG A 42 3.885 -5.798 19.893 1.00 0.00 C ATOM 657 NH1 ARG A 42 3.971 -6.534 20.992 1.00 0.00 N ATOM 658 NH2 ARG A 42 3.619 -4.501 19.988 1.00 0.00 N ATOM 0 H ARG A 42 5.794 -8.940 13.796 1.00 0.00 H new ATOM 0 HA ARG A 42 4.052 -6.749 14.683 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.326 -7.953 16.310 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.532 -6.435 16.680 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.338 -7.955 16.627 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.489 -9.239 16.944 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.639 -8.371 19.061 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.345 -7.995 18.919 1.00 0.00 H new ATOM 0 HE ARG A 42 3.993 -5.759 17.874 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.176 -7.531 20.923 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.832 -6.104 21.906 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.553 -3.931 19.145 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.481 -4.074 20.904 1.00 0.00 H new ATOM 672 N GLN A 43 5.607 -5.477 13.209 1.00 0.00 N ATOM 673 CA GLN A 43 6.505 -4.589 12.480 1.00 0.00 C ATOM 674 C GLN A 43 6.232 -3.131 12.831 1.00 0.00 C ATOM 675 O GLN A 43 5.099 -2.754 13.132 1.00 0.00 O ATOM 676 CB GLN A 43 6.353 -4.801 10.973 1.00 0.00 C ATOM 677 CG GLN A 43 4.908 -4.938 10.521 1.00 0.00 C ATOM 678 CD GLN A 43 4.123 -3.650 10.676 1.00 0.00 C ATOM 679 OE1 GLN A 43 4.447 -2.635 10.060 1.00 0.00 O ATOM 680 NE2 GLN A 43 3.084 -3.686 11.501 1.00 0.00 N ATOM 0 H GLN A 43 4.618 -5.338 13.003 1.00 0.00 H new ATOM 0 HA GLN A 43 7.528 -4.828 12.772 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.811 -3.963 10.448 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.902 -5.697 10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.886 -5.249 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.424 -5.726 11.098 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.852 -4.550 11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.518 -2.850 11.645 1.00 0.00 H new ATOM 689 N LYS A 44 7.278 -2.312 12.792 1.00 0.00 N ATOM 690 CA LYS A 44 7.153 -0.894 13.105 1.00 0.00 C ATOM 691 C LYS A 44 7.780 -0.037 12.010 1.00 0.00 C ATOM 692 O LYS A 44 7.800 1.191 12.102 1.00 0.00 O ATOM 693 CB LYS A 44 7.815 -0.586 14.450 1.00 0.00 C ATOM 694 CG LYS A 44 7.474 -1.588 15.539 1.00 0.00 C ATOM 695 CD LYS A 44 8.202 -1.273 16.835 1.00 0.00 C ATOM 696 CE LYS A 44 9.087 -2.430 17.273 1.00 0.00 C ATOM 697 NZ LYS A 44 9.172 -2.533 18.756 1.00 0.00 N ATOM 0 H LYS A 44 8.223 -2.607 12.546 1.00 0.00 H new ATOM 0 HA LYS A 44 6.091 -0.654 13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.896 -0.562 14.316 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.512 0.409 14.775 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.398 -1.584 15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.739 -2.592 15.207 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.810 -0.378 16.704 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.476 -1.053 17.617 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.694 -3.362 16.866 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.087 -2.299 16.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.784 -3.333 19.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.571 -1.654 19.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.221 -2.684 19.149 1.00 0.00 H new ATOM 711 N LEU A 45 8.291 -0.692 10.973 1.00 0.00 N ATOM 712 CA LEU A 45 8.918 0.010 9.858 1.00 0.00 C ATOM 713 C LEU A 45 7.990 1.084 9.300 1.00 0.00 C ATOM 714 O LEU A 45 6.800 1.116 9.615 1.00 0.00 O ATOM 715 CB LEU A 45 9.295 -0.979 8.754 1.00 0.00 C ATOM 716 CG LEU A 45 8.269 -2.073 8.454 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.944 -2.107 6.969 1.00 0.00 C ATOM 718 CD2 LEU A 45 8.782 -3.428 8.921 1.00 0.00 C ATOM 0 H LEU A 45 8.284 -1.708 10.881 1.00 0.00 H new ATOM 0 HA LEU A 45 9.822 0.494 10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.477 -0.418 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.236 -1.456 9.027 1.00 0.00 H new ATOM 0 HG LEU A 45 7.354 -1.846 9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.213 -2.891 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.534 -1.144 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.853 -2.310 6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.039 -4.194 8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.712 -3.663 8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.963 -3.398 9.995 1.00 0.00 H new ATOM 730 N LEU A 46 8.542 1.960 8.468 1.00 0.00 N ATOM 731 CA LEU A 46 7.763 3.035 7.862 1.00 0.00 C ATOM 732 C LEU A 46 7.854 2.983 6.341 1.00 0.00 C ATOM 733 O LEU A 46 8.556 2.144 5.779 1.00 0.00 O ATOM 734 CB LEU A 46 8.253 4.393 8.368 1.00 0.00 C ATOM 735 CG LEU A 46 9.769 4.577 8.437 1.00 0.00 C ATOM 736 CD1 LEU A 46 10.342 3.837 9.636 1.00 0.00 C ATOM 737 CD2 LEU A 46 10.424 4.097 7.150 1.00 0.00 C ATOM 0 H LEU A 46 9.525 1.947 8.197 1.00 0.00 H new ATOM 0 HA LEU A 46 6.720 2.902 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.842 5.169 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.842 4.557 9.364 1.00 0.00 H new ATOM 0 HG LEU A 46 9.982 5.640 8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.422 3.979 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.896 4.227 10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.119 2.774 9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.503 4.236 7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.203 3.040 7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.036 4.671 6.308 1.00 0.00 H new ATOM 749 N GLY A 47 7.140 3.889 5.679 1.00 0.00 N ATOM 750 CA GLY A 47 7.155 3.930 4.228 1.00 0.00 C ATOM 751 C GLY A 47 6.676 2.633 3.606 1.00 0.00 C ATOM 752 O GLY A 47 5.472 2.409 3.469 1.00 0.00 O ATOM 0 H GLY A 47 6.552 4.595 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.523 4.749 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.167 4.142 3.884 1.00 0.00 H new ATOM 756 N LEU A 48 7.618 1.777 3.227 1.00 0.00 N ATOM 757 CA LEU A 48 7.286 0.496 2.614 1.00 0.00 C ATOM 758 C LEU A 48 6.550 -0.406 3.601 1.00 0.00 C ATOM 759 O LEU A 48 6.964 -0.554 4.751 1.00 0.00 O ATOM 760 CB LEU A 48 8.555 -0.200 2.119 1.00 0.00 C ATOM 761 CG LEU A 48 8.353 -1.536 1.404 1.00 0.00 C ATOM 762 CD1 LEU A 48 8.191 -2.662 2.413 1.00 0.00 C ATOM 763 CD2 LEU A 48 7.147 -1.469 0.479 1.00 0.00 C ATOM 0 H LEU A 48 8.618 1.947 3.333 1.00 0.00 H new ATOM 0 HA LEU A 48 6.629 0.687 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.076 0.477 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.212 -0.364 2.973 1.00 0.00 H new ATOM 0 HG LEU A 48 9.237 -1.741 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.048 -3.605 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.084 -2.725 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.324 -2.464 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.019 -2.429 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.254 -1.241 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.303 -0.689 -0.266 1.00 0.00 H new ATOM 775 N LYS A 49 5.458 -1.008 3.143 1.00 0.00 N ATOM 776 CA LYS A 49 4.666 -1.898 3.983 1.00 0.00 C ATOM 777 C LYS A 49 4.074 -1.144 5.169 1.00 0.00 C ATOM 778 O LYS A 49 4.575 -1.238 6.290 1.00 0.00 O ATOM 779 CB LYS A 49 5.526 -3.061 4.483 1.00 0.00 C ATOM 780 CG LYS A 49 5.339 -4.342 3.687 1.00 0.00 C ATOM 781 CD LYS A 49 3.928 -4.886 3.830 1.00 0.00 C ATOM 782 CE LYS A 49 3.840 -5.922 4.941 1.00 0.00 C ATOM 783 NZ LYS A 49 2.433 -6.162 5.365 1.00 0.00 N ATOM 0 H LYS A 49 5.101 -0.896 2.194 1.00 0.00 H new ATOM 0 HA LYS A 49 3.848 -2.292 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.575 -2.769 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.288 -3.255 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.552 -4.152 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.055 -5.090 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.240 -4.067 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.612 -5.334 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.281 -6.859 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.425 -5.587 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.405 -6.945 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.052 -5.301 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.857 -6.408 4.535 1.00 0.00 H new ATOM 797 N VAL A 50 3.004 -0.396 4.915 1.00 0.00 N ATOM 798 CA VAL A 50 2.343 0.373 5.963 1.00 0.00 C ATOM 799 C VAL A 50 1.263 -0.453 6.652 1.00 0.00 C ATOM 800 O VAL A 50 0.696 -1.372 6.060 1.00 0.00 O ATOM 801 CB VAL A 50 1.709 1.659 5.400 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.787 2.628 4.939 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.755 1.329 4.262 1.00 0.00 C ATOM 0 H VAL A 50 2.577 -0.307 3.993 1.00 0.00 H new ATOM 0 HA VAL A 50 3.110 0.642 6.690 1.00 0.00 H new ATOM 0 HB VAL A 50 1.138 2.139 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.320 3.531 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.426 2.889 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.388 2.160 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.316 2.249 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.301 0.825 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.037 0.676 4.629 1.00 0.00 H new ATOM 813 N LYS A 51 0.981 -0.120 7.907 1.00 0.00 N ATOM 814 CA LYS A 51 -0.033 -0.829 8.678 1.00 0.00 C ATOM 815 C LYS A 51 -1.431 -0.334 8.324 1.00 0.00 C ATOM 816 O LYS A 51 -1.612 0.819 7.934 1.00 0.00 O ATOM 817 CB LYS A 51 0.219 -0.649 10.177 1.00 0.00 C ATOM 818 CG LYS A 51 -0.569 -1.614 11.046 1.00 0.00 C ATOM 819 CD LYS A 51 -0.201 -1.470 12.514 1.00 0.00 C ATOM 820 CE LYS A 51 -1.377 -1.809 13.418 1.00 0.00 C ATOM 821 NZ LYS A 51 -2.507 -0.856 13.240 1.00 0.00 N ATOM 0 H LYS A 51 1.441 0.637 8.412 1.00 0.00 H new ATOM 0 HA LYS A 51 0.032 -1.888 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.283 -0.779 10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.036 0.372 10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.636 -1.432 10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.379 -2.637 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.639 -2.125 12.746 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.128 -0.449 12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.719 -2.822 13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.051 -1.795 14.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.052 -0.795 14.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.134 0.084 12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.126 -1.191 12.474 1.00 0.00 H new ATOM 835 N GLY A 52 -2.419 -1.214 8.463 1.00 0.00 N ATOM 836 CA GLY A 52 -3.788 -0.846 8.154 1.00 0.00 C ATOM 837 C GLY A 52 -4.070 -0.858 6.665 1.00 0.00 C ATOM 838 O GLY A 52 -5.183 -0.556 6.233 1.00 0.00 O ATOM 0 H GLY A 52 -2.295 -2.174 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.468 -1.535 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.992 0.148 8.551 1.00 0.00 H new ATOM 842 N LYS A 53 -3.059 -1.205 5.876 1.00 0.00 N ATOM 843 CA LYS A 53 -3.202 -1.255 4.425 1.00 0.00 C ATOM 844 C LYS A 53 -1.897 -1.688 3.765 1.00 0.00 C ATOM 845 O LYS A 53 -1.181 -0.887 3.164 1.00 0.00 O ATOM 846 CB LYS A 53 -3.629 0.113 3.887 1.00 0.00 C ATOM 847 CG LYS A 53 -2.891 1.276 4.528 1.00 0.00 C ATOM 848 CD LYS A 53 -3.259 2.598 3.875 1.00 0.00 C ATOM 849 CE LYS A 53 -2.457 2.834 2.604 1.00 0.00 C ATOM 850 NZ LYS A 53 -3.190 3.699 1.639 1.00 0.00 N ATOM 0 H LYS A 53 -2.131 -1.456 6.217 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.971 -1.989 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.464 0.138 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.700 0.240 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.127 1.316 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.816 1.115 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.324 2.606 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.080 3.413 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.504 3.299 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.230 1.877 2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.611 3.836 0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.088 3.244 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.384 4.622 2.078 1.00 0.00 H new ATOM 864 N PRO A 54 -1.580 -2.987 3.875 1.00 0.00 N ATOM 865 CA PRO A 54 -0.361 -3.556 3.293 1.00 0.00 C ATOM 866 C PRO A 54 -0.411 -3.597 1.769 1.00 0.00 C ATOM 867 O PRO A 54 -1.487 -3.666 1.176 1.00 0.00 O ATOM 868 CB PRO A 54 -0.324 -4.976 3.865 1.00 0.00 C ATOM 869 CG PRO A 54 -1.746 -5.298 4.171 1.00 0.00 C ATOM 870 CD PRO A 54 -2.387 -3.999 4.577 1.00 0.00 C ATOM 0 HA PRO A 54 0.521 -2.962 3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.096 -5.681 3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.295 -5.026 4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.245 -5.724 3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.816 -6.035 4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.434 -3.957 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.359 -3.857 5.657 1.00 0.00 H new ATOM 878 N ALA A 55 0.760 -3.555 1.142 1.00 0.00 N ATOM 879 CA ALA A 55 0.849 -3.590 -0.313 1.00 0.00 C ATOM 880 C ALA A 55 0.144 -4.819 -0.877 1.00 0.00 C ATOM 881 O ALA A 55 -0.375 -5.645 -0.127 1.00 0.00 O ATOM 882 CB ALA A 55 2.305 -3.565 -0.753 1.00 0.00 C ATOM 0 H ALA A 55 1.660 -3.497 1.619 1.00 0.00 H new ATOM 0 HA ALA A 55 0.347 -2.705 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.357 -3.592 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.779 -2.654 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.824 -4.432 -0.344 1.00 0.00 H new ATOM 888 N GLU A 56 0.129 -4.931 -2.201 1.00 0.00 N ATOM 889 CA GLU A 56 -0.514 -6.059 -2.864 1.00 0.00 C ATOM 890 C GLU A 56 0.483 -6.821 -3.732 1.00 0.00 C ATOM 891 O GLU A 56 1.507 -6.276 -4.143 1.00 0.00 O ATOM 892 CB GLU A 56 -1.686 -5.575 -3.720 1.00 0.00 C ATOM 893 CG GLU A 56 -2.673 -6.674 -4.079 1.00 0.00 C ATOM 894 CD GLU A 56 -4.069 -6.143 -4.337 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.188 -5.069 -4.964 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.043 -6.800 -3.913 1.00 0.00 O ATOM 0 H GLU A 56 0.554 -4.255 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.889 -6.734 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.214 -4.785 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.297 -5.134 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.319 -7.200 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.710 -7.403 -3.269 1.00 0.00 H new ATOM 903 N ASN A 57 0.176 -8.085 -4.006 1.00 0.00 N ATOM 904 CA ASN A 57 1.045 -8.922 -4.824 1.00 0.00 C ATOM 905 C ASN A 57 1.051 -8.448 -6.274 1.00 0.00 C ATOM 906 O ASN A 57 2.012 -8.678 -7.010 1.00 0.00 O ATOM 907 CB ASN A 57 0.593 -10.382 -4.756 1.00 0.00 C ATOM 908 CG ASN A 57 -0.902 -10.534 -4.958 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.652 -10.519 -3.862 1.00 0.00 O flip ATOM 910 ND2 ASN A 57 -1.377 -10.664 -6.086 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.668 -8.552 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 57 2.058 -8.843 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.120 -10.959 -5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.871 -10.801 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.763 -10.670 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.385 -10.766 -6.206 1.00 0.00 H new ATOM 917 N ASP A 58 -0.026 -7.784 -6.678 1.00 0.00 N ATOM 918 CA ASP A 58 -0.145 -7.275 -8.039 1.00 0.00 C ATOM 919 C ASP A 58 0.996 -6.315 -8.362 1.00 0.00 C ATOM 920 O ASP A 58 1.321 -6.090 -9.528 1.00 0.00 O ATOM 921 CB ASP A 58 -1.489 -6.569 -8.227 1.00 0.00 C ATOM 922 CG ASP A 58 -2.665 -7.514 -8.076 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.438 -8.742 -8.027 1.00 0.00 O ATOM 924 OD2 ASP A 58 -3.812 -7.027 -8.005 1.00 0.00 O ATOM 0 H ASP A 58 -0.830 -7.586 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.089 -8.122 -8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.578 -5.763 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.520 -6.110 -9.215 1.00 0.00 H new ATOM 929 N VAL A 59 1.601 -5.752 -7.321 1.00 0.00 N ATOM 930 CA VAL A 59 2.706 -4.816 -7.494 1.00 0.00 C ATOM 931 C VAL A 59 3.881 -5.479 -8.204 1.00 0.00 C ATOM 932 O VAL A 59 4.175 -6.653 -7.980 1.00 0.00 O ATOM 933 CB VAL A 59 3.187 -4.260 -6.140 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.391 -3.351 -6.334 1.00 0.00 C ATOM 935 CG2 VAL A 59 2.058 -3.520 -5.438 1.00 0.00 C ATOM 0 H VAL A 59 1.345 -5.928 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 59 2.332 -3.994 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 59 3.491 -5.096 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.717 -2.968 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.203 -3.915 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.117 -2.518 -6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.415 -3.134 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.722 -2.692 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.227 -4.204 -5.265 1.00 0.00 H new ATOM 945 N LYS A 60 4.551 -4.718 -9.063 1.00 0.00 N ATOM 946 CA LYS A 60 5.696 -5.230 -9.807 1.00 0.00 C ATOM 947 C LYS A 60 6.468 -4.092 -10.468 1.00 0.00 C ATOM 948 O LYS A 60 6.116 -2.921 -10.319 1.00 0.00 O ATOM 949 CB LYS A 60 5.235 -6.232 -10.868 1.00 0.00 C ATOM 950 CG LYS A 60 3.970 -5.810 -11.594 1.00 0.00 C ATOM 951 CD LYS A 60 4.106 -5.980 -13.098 1.00 0.00 C ATOM 952 CE LYS A 60 3.466 -7.275 -13.573 1.00 0.00 C ATOM 953 NZ LYS A 60 3.329 -7.315 -15.055 1.00 0.00 N ATOM 0 H LYS A 60 4.321 -3.744 -9.261 1.00 0.00 H new ATOM 0 HA LYS A 60 6.358 -5.735 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.034 -6.370 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.066 -7.199 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.129 -6.403 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.748 -4.768 -11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.639 -5.135 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.161 -5.972 -13.372 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.068 -8.121 -13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.483 -7.384 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.889 -8.213 -15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.733 -6.523 -15.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.269 -7.237 -15.493 1.00 0.00 H new ATOM 967 N LEU A 61 7.519 -4.443 -11.200 1.00 0.00 N ATOM 968 CA LEU A 61 8.340 -3.451 -11.886 1.00 0.00 C ATOM 969 C LEU A 61 7.524 -2.700 -12.933 1.00 0.00 C ATOM 970 O LEU A 61 7.854 -1.573 -13.301 1.00 0.00 O ATOM 971 CB LEU A 61 9.543 -4.125 -12.548 1.00 0.00 C ATOM 972 CG LEU A 61 10.571 -3.189 -13.184 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.630 -2.790 -12.168 1.00 0.00 C ATOM 974 CD2 LEU A 61 11.213 -3.846 -14.397 1.00 0.00 C ATOM 0 H LEU A 61 7.823 -5.407 -11.334 1.00 0.00 H new ATOM 0 HA LEU A 61 8.695 -2.734 -11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.050 -4.734 -11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.176 -4.805 -13.317 1.00 0.00 H new ATOM 0 HG LEU A 61 10.056 -2.287 -13.515 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.353 -2.124 -12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.156 -2.278 -11.331 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.141 -3.682 -11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.942 -3.165 -14.837 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.713 -4.765 -14.091 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.444 -4.080 -15.134 1.00 0.00 H new ATOM 986 N GLY A 62 6.455 -3.332 -13.409 1.00 0.00 N ATOM 987 CA GLY A 62 5.607 -2.707 -14.407 1.00 0.00 C ATOM 988 C GLY A 62 4.493 -1.884 -13.790 1.00 0.00 C ATOM 989 O GLY A 62 3.518 -1.545 -14.460 1.00 0.00 O ATOM 0 H GLY A 62 6.161 -4.265 -13.121 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.215 -2.067 -15.047 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.174 -3.477 -15.045 1.00 0.00 H new ATOM 993 N ALA A 63 4.637 -1.564 -12.508 1.00 0.00 N ATOM 994 CA ALA A 63 3.636 -0.777 -11.800 1.00 0.00 C ATOM 995 C ALA A 63 4.266 0.441 -11.133 1.00 0.00 C ATOM 996 O ALA A 63 3.733 1.549 -11.210 1.00 0.00 O ATOM 997 CB ALA A 63 2.921 -1.636 -10.767 1.00 0.00 C ATOM 0 H ALA A 63 5.438 -1.838 -11.939 1.00 0.00 H new ATOM 0 HA ALA A 63 2.907 -0.423 -12.529 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.176 -1.034 -10.246 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.429 -2.471 -11.266 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.645 -2.019 -10.048 1.00 0.00 H new ATOM 1003 N LEU A 64 5.402 0.230 -10.479 1.00 0.00 N ATOM 1004 CA LEU A 64 6.106 1.311 -9.797 1.00 0.00 C ATOM 1005 C LEU A 64 7.610 1.214 -10.031 1.00 0.00 C ATOM 1006 O LEU A 64 8.355 0.754 -9.165 1.00 0.00 O ATOM 1007 CB LEU A 64 5.807 1.274 -8.298 1.00 0.00 C ATOM 1008 CG LEU A 64 5.175 -0.014 -7.770 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.141 -1.180 -7.915 1.00 0.00 C ATOM 1010 CD2 LEU A 64 4.754 0.154 -6.318 1.00 0.00 C ATOM 0 H LEU A 64 5.856 -0.680 -10.406 1.00 0.00 H new ATOM 0 HA LEU A 64 5.754 2.257 -10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.738 1.446 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.143 2.105 -8.060 1.00 0.00 H new ATOM 0 HG LEU A 64 4.286 -0.229 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.674 -2.089 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.393 -1.315 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.049 -0.973 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.306 -0.773 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.627 0.394 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.026 0.962 -6.241 1.00 0.00 H new ATOM 1022 N LYS A 65 8.051 1.653 -11.205 1.00 0.00 N ATOM 1023 CA LYS A 65 9.466 1.620 -11.552 1.00 0.00 C ATOM 1024 C LYS A 65 10.220 2.758 -10.871 1.00 0.00 C ATOM 1025 O LYS A 65 10.948 3.510 -11.521 1.00 0.00 O ATOM 1026 CB LYS A 65 9.643 1.713 -13.069 1.00 0.00 C ATOM 1027 CG LYS A 65 9.074 2.986 -13.671 1.00 0.00 C ATOM 1028 CD LYS A 65 9.813 3.383 -14.938 1.00 0.00 C ATOM 1029 CE LYS A 65 11.187 3.957 -14.625 1.00 0.00 C ATOM 1030 NZ LYS A 65 11.639 4.915 -15.672 1.00 0.00 N ATOM 0 H LYS A 65 7.448 2.036 -11.933 1.00 0.00 H new ATOM 0 HA LYS A 65 9.878 0.674 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.705 1.652 -13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.162 0.854 -13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.017 2.843 -13.895 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.139 3.794 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.920 2.513 -15.586 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.226 4.119 -15.487 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.159 4.461 -13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.909 3.145 -14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.579 5.284 -15.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.691 4.428 -16.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.964 5.703 -15.736 1.00 0.00 H new ATOM 1044 N LEU A 66 10.043 2.877 -9.560 1.00 0.00 N ATOM 1045 CA LEU A 66 10.709 3.923 -8.790 1.00 0.00 C ATOM 1046 C LEU A 66 12.194 3.617 -8.625 1.00 0.00 C ATOM 1047 O LEU A 66 12.708 2.656 -9.199 1.00 0.00 O ATOM 1048 CB LEU A 66 10.051 4.070 -7.417 1.00 0.00 C ATOM 1049 CG LEU A 66 9.406 5.425 -7.123 1.00 0.00 C ATOM 1050 CD1 LEU A 66 8.112 5.243 -6.346 1.00 0.00 C ATOM 1051 CD2 LEU A 66 10.369 6.319 -6.357 1.00 0.00 C ATOM 0 H LEU A 66 9.444 2.263 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 66 10.609 4.861 -9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.288 3.298 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.804 3.875 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 66 9.171 5.907 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.667 6.218 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.417 4.641 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.322 4.740 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.893 7.279 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.636 5.842 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.269 6.477 -6.951 1.00 0.00 H new ATOM 1063 N LYS A 67 12.878 4.438 -7.836 1.00 0.00 N ATOM 1064 CA LYS A 67 14.303 4.254 -7.591 1.00 0.00 C ATOM 1065 C LYS A 67 14.564 3.909 -6.129 1.00 0.00 C ATOM 1066 O LYS A 67 13.782 4.243 -5.238 1.00 0.00 O ATOM 1067 CB LYS A 67 15.075 5.519 -7.973 1.00 0.00 C ATOM 1068 CG LYS A 67 14.721 6.727 -7.123 1.00 0.00 C ATOM 1069 CD LYS A 67 13.723 7.631 -7.828 1.00 0.00 C ATOM 1070 CE LYS A 67 14.399 8.484 -8.891 1.00 0.00 C ATOM 1071 NZ LYS A 67 15.230 9.564 -8.291 1.00 0.00 N ATOM 0 H LYS A 67 12.468 5.238 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 67 14.648 3.425 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.144 5.323 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.879 5.752 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.304 6.395 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.626 7.290 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.943 7.025 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.236 8.277 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.025 7.851 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.641 8.926 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.464 10.268 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.700 10.024 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.107 9.156 -7.909 1.00 0.00 H new ATOM 1085 N PRO A 68 15.689 3.224 -5.873 1.00 0.00 N ATOM 1086 CA PRO A 68 16.079 2.821 -4.518 1.00 0.00 C ATOM 1087 C PRO A 68 16.489 4.009 -3.655 1.00 0.00 C ATOM 1088 O PRO A 68 16.672 3.876 -2.446 1.00 0.00 O ATOM 1089 CB PRO A 68 17.274 1.894 -4.755 1.00 0.00 C ATOM 1090 CG PRO A 68 17.838 2.329 -6.063 1.00 0.00 C ATOM 1091 CD PRO A 68 16.667 2.792 -6.885 1.00 0.00 C ATOM 0 HA PRO A 68 15.256 2.350 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.010 1.985 -3.956 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.965 0.849 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.562 3.132 -5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.360 1.509 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.942 3.609 -7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.272 1.990 -7.509 1.00 0.00 H new ATOM 1099 N ASN A 69 16.631 5.171 -4.284 1.00 0.00 N ATOM 1100 CA ASN A 69 17.019 6.384 -3.573 1.00 0.00 C ATOM 1101 C ASN A 69 16.071 6.659 -2.410 1.00 0.00 C ATOM 1102 O ASN A 69 16.438 7.320 -1.437 1.00 0.00 O ATOM 1103 CB ASN A 69 17.033 7.578 -4.528 1.00 0.00 C ATOM 1104 CG ASN A 69 17.777 8.769 -3.955 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.317 9.404 -3.006 1.00 0.00 O ATOM 1106 ND2 ASN A 69 18.934 9.077 -4.530 1.00 0.00 N ATOM 0 H ASN A 69 16.483 5.298 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 69 18.022 6.236 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.497 7.282 -5.469 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.008 7.869 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 69 19.479 9.868 -4.187 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.277 8.523 -5.315 1.00 0.00 H new ATOM 1113 N THR A 70 14.848 6.148 -2.516 1.00 0.00 N ATOM 1114 CA THR A 70 13.847 6.339 -1.475 1.00 0.00 C ATOM 1115 C THR A 70 14.412 6.002 -0.100 1.00 0.00 C ATOM 1116 O THR A 70 14.262 6.771 0.850 1.00 0.00 O ATOM 1117 CB THR A 70 12.599 5.474 -1.731 1.00 0.00 C ATOM 1118 OG1 THR A 70 12.953 4.318 -2.498 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.530 6.269 -2.466 1.00 0.00 C ATOM 0 H THR A 70 14.527 5.598 -3.313 1.00 0.00 H new ATOM 0 HA THR A 70 13.562 7.391 -1.499 1.00 0.00 H new ATOM 0 HB THR A 70 12.198 5.161 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.254 4.138 -3.161 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.658 5.637 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.241 7.132 -1.866 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.923 6.609 -3.424 1.00 0.00 H new ATOM 1127 N LYS A 71 15.063 4.848 0.000 1.00 0.00 N ATOM 1128 CA LYS A 71 15.653 4.409 1.259 1.00 0.00 C ATOM 1129 C LYS A 71 14.581 4.228 2.329 1.00 0.00 C ATOM 1130 O LYS A 71 13.998 5.201 2.807 1.00 0.00 O ATOM 1131 CB LYS A 71 16.699 5.420 1.736 1.00 0.00 C ATOM 1132 CG LYS A 71 18.109 5.101 1.272 1.00 0.00 C ATOM 1133 CD LYS A 71 19.007 6.326 1.334 1.00 0.00 C ATOM 1134 CE LYS A 71 20.477 5.938 1.363 1.00 0.00 C ATOM 1135 NZ LYS A 71 21.061 5.872 -0.005 1.00 0.00 N ATOM 0 H LYS A 71 15.195 4.200 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 71 16.137 3.447 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.423 6.412 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.684 5.459 2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.528 4.310 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.080 4.721 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.815 6.963 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.766 6.910 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.032 6.662 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.587 4.970 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.064 5.604 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.548 5.163 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.979 6.802 -0.463 1.00 0.00 H new ATOM 1149 N ILE A 72 14.328 2.978 2.700 1.00 0.00 N ATOM 1150 CA ILE A 72 13.328 2.670 3.715 1.00 0.00 C ATOM 1151 C ILE A 72 13.986 2.265 5.030 1.00 0.00 C ATOM 1152 O ILE A 72 15.034 1.620 5.039 1.00 0.00 O ATOM 1153 CB ILE A 72 12.388 1.541 3.255 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.269 1.331 4.278 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.170 0.253 3.046 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.588 0.277 5.314 1.00 0.00 C ATOM 0 H ILE A 72 14.802 2.162 2.313 1.00 0.00 H new ATOM 0 HA ILE A 72 12.744 3.578 3.868 1.00 0.00 H new ATOM 0 HB ILE A 72 11.937 1.828 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.067 2.276 4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.356 1.049 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.492 -0.536 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.934 0.411 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.645 -0.040 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.751 0.182 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.761 -0.679 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.483 0.567 5.865 1.00 0.00 H new ATOM 1168 N MET A 73 13.362 2.647 6.140 1.00 0.00 N ATOM 1169 CA MET A 73 13.886 2.321 7.461 1.00 0.00 C ATOM 1170 C MET A 73 13.076 1.200 8.105 1.00 0.00 C ATOM 1171 O MET A 73 11.848 1.262 8.161 1.00 0.00 O ATOM 1172 CB MET A 73 13.869 3.559 8.360 1.00 0.00 C ATOM 1173 CG MET A 73 14.880 4.619 7.953 1.00 0.00 C ATOM 1174 SD MET A 73 14.902 6.026 9.080 1.00 0.00 S ATOM 1175 CE MET A 73 16.209 7.016 8.360 1.00 0.00 C ATOM 0 H MET A 73 12.494 3.182 6.151 1.00 0.00 H new ATOM 0 HA MET A 73 14.915 1.981 7.343 1.00 0.00 H new ATOM 0 HB2 MET A 73 12.870 3.996 8.344 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.068 3.255 9.388 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.874 4.173 7.916 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.649 4.968 6.946 1.00 0.00 H new ATOM 0 HE1 MET A 73 16.343 7.924 8.947 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.138 6.446 8.357 1.00 0.00 H new ATOM 0 HE3 MET A 73 15.943 7.281 7.337 1.00 0.00 H new ATOM 1185 N MET A 74 13.772 0.176 8.589 1.00 0.00 N ATOM 1186 CA MET A 74 13.116 -0.958 9.229 1.00 0.00 C ATOM 1187 C MET A 74 13.266 -0.887 10.746 1.00 0.00 C ATOM 1188 O MET A 74 14.336 -0.561 11.259 1.00 0.00 O ATOM 1189 CB MET A 74 13.700 -2.273 8.709 1.00 0.00 C ATOM 1190 CG MET A 74 12.740 -3.059 7.831 1.00 0.00 C ATOM 1191 SD MET A 74 13.398 -4.667 7.348 1.00 0.00 S ATOM 1192 CE MET A 74 11.986 -5.370 6.500 1.00 0.00 C ATOM 0 H MET A 74 14.789 0.109 8.550 1.00 0.00 H new ATOM 0 HA MET A 74 12.055 -0.918 8.983 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.606 -2.060 8.142 1.00 0.00 H new ATOM 0 HB3 MET A 74 13.993 -2.892 9.557 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.800 -3.201 8.364 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.515 -2.479 6.936 1.00 0.00 H new ATOM 0 HE1 MET A 74 11.949 -6.444 6.683 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.071 -4.907 6.871 1.00 0.00 H new ATOM 0 HE3 MET A 74 12.077 -5.187 5.429 1.00 0.00 H new ATOM 1202 N MET A 75 12.186 -1.194 11.457 1.00 0.00 N ATOM 1203 CA MET A 75 12.198 -1.165 12.915 1.00 0.00 C ATOM 1204 C MET A 75 11.456 -2.368 13.489 1.00 0.00 C ATOM 1205 O MET A 75 10.419 -2.776 12.968 1.00 0.00 O ATOM 1206 CB MET A 75 11.566 0.131 13.427 1.00 0.00 C ATOM 1207 CG MET A 75 12.570 1.102 14.025 1.00 0.00 C ATOM 1208 SD MET A 75 12.180 2.823 13.652 1.00 0.00 S ATOM 1209 CE MET A 75 11.157 3.250 15.059 1.00 0.00 C ATOM 0 H MET A 75 11.292 -1.466 11.048 1.00 0.00 H new ATOM 0 HA MET A 75 13.236 -1.209 13.245 1.00 0.00 H new ATOM 0 HB2 MET A 75 11.045 0.621 12.605 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.816 -0.113 14.180 1.00 0.00 H new ATOM 0 HG2 MET A 75 12.601 0.967 15.106 1.00 0.00 H new ATOM 0 HG3 MET A 75 13.565 0.869 13.646 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.836 4.288 14.974 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.282 2.600 15.083 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.730 3.122 15.977 1.00 0.00 H new ATOM 1219 N GLY A 76 11.995 -2.932 14.566 1.00 0.00 N ATOM 1220 CA GLY A 76 11.370 -4.082 15.192 1.00 0.00 C ATOM 1221 C GLY A 76 11.295 -5.278 14.263 1.00 0.00 C ATOM 1222 O GLY A 76 10.414 -6.127 14.401 1.00 0.00 O ATOM 0 H GLY A 76 12.853 -2.613 15.016 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.931 -4.355 16.086 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.364 -3.814 15.516 1.00 0.00 H new ATOM 1226 N THR A 77 12.221 -5.346 13.312 1.00 0.00 N ATOM 1227 CA THR A 77 12.255 -6.444 12.355 1.00 0.00 C ATOM 1228 C THR A 77 13.142 -7.579 12.852 1.00 0.00 C ATOM 1229 O THR A 77 14.211 -7.834 12.295 1.00 0.00 O ATOM 1230 CB THR A 77 12.764 -5.975 10.979 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.799 -5.000 11.145 1.00 0.00 O ATOM 1232 CG2 THR A 77 11.630 -5.382 10.156 1.00 0.00 C ATOM 0 H THR A 77 12.958 -4.653 13.184 1.00 0.00 H new ATOM 0 HA THR A 77 11.232 -6.805 12.252 1.00 0.00 H new ATOM 0 HB THR A 77 13.163 -6.841 10.450 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.516 -5.375 11.699 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.013 -5.058 9.189 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.857 -6.135 10.006 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.206 -4.527 10.683 1.00 0.00 H new