USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 60 GLN : amide:sc= -4.92 K(o=-4.7,f=-12!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0.248 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.41) USER MOD Single : A 4 ASN : amide:sc= -0.261 K(o=-0.26,f=-0.87) USER MOD Single : A 9 SER OG : rot 63:sc= 1.23 USER MOD Single : A 12 LYS NZ :NH3+ -170:sc=-0.00199 (180deg=-0.0976) USER MOD Single : A 15 ASN : amide:sc= 1.25 K(o=1.2,f=-0.032) USER MOD Single : A 16 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.4!) USER MOD Single : A 17 TYR OH : rot 159:sc= -4.47! USER MOD Single : A 20 HIS : no HD1:sc= -0.698 X(o=-0.7,f=-0.33) USER MOD Single : A 21 SER OG : rot 120:sc= -1.37 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.026) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 67 ASN : amide:sc= -2.1 X(o=-2.1,f=-2.1) USER MOD Single : A 68 SER OG : rot -40:sc= 0.98 USER MOD Single : A 70 THR OG1 : rot 69:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.170 -1.994 -3.468 1.00 0.00 N ATOM 12 CA GLN A 2 1.342 -3.403 -3.802 1.00 0.00 C ATOM 13 C GLN A 2 2.781 -3.691 -4.220 1.00 0.00 C ATOM 14 O GLN A 2 3.292 -3.101 -5.171 1.00 0.00 O ATOM 15 CB GLN A 2 0.383 -3.804 -4.924 1.00 0.00 C ATOM 16 CG GLN A 2 0.368 -5.297 -5.207 1.00 0.00 C ATOM 17 CD GLN A 2 1.385 -5.704 -6.255 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.202 -5.450 -7.446 1.00 0.00 O ATOM 19 NE2 GLN A 2 2.466 -6.338 -5.816 1.00 0.00 N ATOM 0 HA GLN A 2 1.116 -3.992 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.625 -3.482 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.660 -3.273 -5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.567 -5.840 -4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.628 -5.590 -5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.577 -6.528 -4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.186 -6.635 -6.475 1.00 0.00 H new ATOM 28 N VAL A 3 3.429 -4.603 -3.502 1.00 0.00 N ATOM 29 CA VAL A 3 4.808 -4.970 -3.798 1.00 0.00 C ATOM 30 C VAL A 3 4.950 -6.477 -3.975 1.00 0.00 C ATOM 31 O VAL A 3 4.697 -7.248 -3.050 1.00 0.00 O ATOM 32 CB VAL A 3 5.765 -4.503 -2.685 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.194 -4.919 -2.998 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.669 -2.996 -2.497 1.00 0.00 C ATOM 0 H VAL A 3 3.021 -5.101 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 3 5.075 -4.471 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 3 5.469 -4.983 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.855 -4.580 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.248 -6.005 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.505 -4.471 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.352 -2.684 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.937 -2.495 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.649 -2.728 -2.222 1.00 0.00 H new ATOM 44 N ASN A 4 5.357 -6.891 -5.171 1.00 0.00 N ATOM 45 CA ASN A 4 5.533 -8.308 -5.470 1.00 0.00 C ATOM 46 C ASN A 4 6.985 -8.613 -5.825 1.00 0.00 C ATOM 47 O ASN A 4 7.485 -8.179 -6.863 1.00 0.00 O ATOM 48 CB ASN A 4 4.616 -8.724 -6.623 1.00 0.00 C ATOM 49 CG ASN A 4 5.076 -10.004 -7.293 1.00 0.00 C ATOM 50 OD1 ASN A 4 5.559 -10.925 -6.633 1.00 0.00 O ATOM 51 ND2 ASN A 4 4.927 -10.068 -8.611 1.00 0.00 N ATOM 0 H ASN A 4 5.571 -6.266 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 4 5.268 -8.878 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.602 -8.858 -6.247 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.579 -7.923 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.218 -10.905 -9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.522 -9.281 -9.117 1.00 0.00 H new ATOM 58 N ILE A 5 7.655 -9.362 -4.956 1.00 0.00 N ATOM 59 CA ILE A 5 9.049 -9.727 -5.179 1.00 0.00 C ATOM 60 C ILE A 5 9.207 -11.238 -5.313 1.00 0.00 C ATOM 61 O ILE A 5 8.587 -12.005 -4.577 1.00 0.00 O ATOM 62 CB ILE A 5 9.951 -9.227 -4.035 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.833 -7.709 -3.889 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.396 -9.630 -4.286 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.285 -7.194 -2.540 1.00 0.00 C ATOM 0 H ILE A 5 7.256 -9.728 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 5 9.356 -9.248 -6.109 1.00 0.00 H new ATOM 0 HB ILE A 5 9.622 -9.689 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.425 -7.230 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.796 -7.416 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.021 -9.270 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.466 -10.716 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.738 -9.193 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.173 -6.110 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.676 -7.645 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.331 -7.456 -2.383 1.00 0.00 H new ATOM 77 N ALA A 6 10.042 -11.658 -6.257 1.00 0.00 N ATOM 78 CA ALA A 6 10.286 -13.077 -6.485 1.00 0.00 C ATOM 79 C ALA A 6 11.410 -13.592 -5.593 1.00 0.00 C ATOM 80 O ALA A 6 12.500 -13.022 -5.536 1.00 0.00 O ATOM 81 CB ALA A 6 10.615 -13.327 -7.950 1.00 0.00 C ATOM 0 H ALA A 6 10.561 -11.036 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 6 9.377 -13.622 -6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.795 -14.391 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.779 -13.006 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.507 -12.764 -8.224 1.00 0.00 H new ATOM 87 N PRO A 7 11.142 -14.695 -4.879 1.00 0.00 N ATOM 88 CA PRO A 7 12.119 -15.310 -3.976 1.00 0.00 C ATOM 89 C PRO A 7 13.275 -15.960 -4.729 1.00 0.00 C ATOM 90 O PRO A 7 13.485 -15.695 -5.912 1.00 0.00 O ATOM 91 CB PRO A 7 11.300 -16.370 -3.236 1.00 0.00 C ATOM 92 CG PRO A 7 10.181 -16.699 -4.163 1.00 0.00 C ATOM 93 CD PRO A 7 9.864 -15.427 -4.898 1.00 0.00 C ATOM 0 HA PRO A 7 12.585 -14.576 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.902 -17.251 -3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.927 -15.990 -2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.469 -17.489 -4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.312 -17.059 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.529 -15.624 -5.916 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.071 -14.865 -4.405 1.00 0.00 H new ATOM 101 N GLY A 8 14.022 -16.814 -4.035 1.00 0.00 N ATOM 102 CA GLY A 8 15.147 -17.488 -4.655 1.00 0.00 C ATOM 103 C GLY A 8 16.478 -16.883 -4.256 1.00 0.00 C ATOM 104 O GLY A 8 17.525 -17.270 -4.775 1.00 0.00 O ATOM 0 H GLY A 8 13.868 -17.051 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.133 -18.542 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.041 -17.442 -5.739 1.00 0.00 H new ATOM 108 N SER A 9 16.439 -15.930 -3.330 1.00 0.00 N ATOM 109 CA SER A 9 17.651 -15.265 -2.865 1.00 0.00 C ATOM 110 C SER A 9 17.321 -14.195 -1.829 1.00 0.00 C ATOM 111 O SER A 9 16.791 -13.134 -2.162 1.00 0.00 O ATOM 112 CB SER A 9 18.398 -14.637 -4.043 1.00 0.00 C ATOM 113 OG SER A 9 19.413 -15.502 -4.524 1.00 0.00 O ATOM 0 H SER A 9 15.581 -15.601 -2.887 1.00 0.00 H new ATOM 0 HA SER A 9 18.289 -16.014 -2.397 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.695 -14.414 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.840 -13.690 -3.734 1.00 0.00 H new ATOM 0 HG SER A 9 19.006 -16.326 -4.864 1.00 0.00 H new ATOM 119 N LEU A 10 17.637 -14.482 -0.571 1.00 0.00 N ATOM 120 CA LEU A 10 17.374 -13.545 0.516 1.00 0.00 C ATOM 121 C LEU A 10 18.033 -12.197 0.244 1.00 0.00 C ATOM 122 O LEU A 10 17.449 -11.145 0.504 1.00 0.00 O ATOM 123 CB LEU A 10 17.882 -14.116 1.841 1.00 0.00 C ATOM 124 CG LEU A 10 17.512 -13.327 3.098 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.353 -14.261 4.287 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.562 -12.264 3.389 1.00 0.00 C ATOM 0 H LEU A 10 18.075 -15.355 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 10 16.296 -13.395 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.498 -15.131 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.968 -14.190 1.789 1.00 0.00 H new ATOM 0 HG LEU A 10 16.558 -12.829 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.090 -13.682 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.564 -14.984 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.291 -14.788 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.282 -11.712 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.530 -12.741 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.627 -11.576 2.546 1.00 0.00 H new ATOM 138 N ASP A 11 19.252 -12.235 -0.283 1.00 0.00 N ATOM 139 CA ASP A 11 19.990 -11.017 -0.594 1.00 0.00 C ATOM 140 C ASP A 11 19.193 -10.126 -1.543 1.00 0.00 C ATOM 141 O ASP A 11 19.006 -8.937 -1.285 1.00 0.00 O ATOM 142 CB ASP A 11 21.345 -11.359 -1.215 1.00 0.00 C ATOM 143 CG ASP A 11 21.948 -10.192 -1.971 1.00 0.00 C ATOM 144 OD1 ASP A 11 22.607 -9.347 -1.330 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.760 -10.124 -3.203 1.00 0.00 O ATOM 0 H ASP A 11 19.750 -13.097 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 11 20.153 -10.474 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 11 22.032 -11.673 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.228 -12.205 -1.892 1.00 0.00 H new ATOM 150 N LYS A 12 18.726 -10.710 -2.641 1.00 0.00 N ATOM 151 CA LYS A 12 17.949 -9.971 -3.629 1.00 0.00 C ATOM 152 C LYS A 12 16.610 -9.528 -3.048 1.00 0.00 C ATOM 153 O LYS A 12 16.237 -8.359 -3.145 1.00 0.00 O ATOM 154 CB LYS A 12 17.717 -10.831 -4.873 1.00 0.00 C ATOM 155 CG LYS A 12 18.997 -11.210 -5.598 1.00 0.00 C ATOM 156 CD LYS A 12 19.820 -9.983 -5.954 1.00 0.00 C ATOM 157 CE LYS A 12 19.038 -9.025 -6.840 1.00 0.00 C ATOM 158 NZ LYS A 12 18.679 -9.645 -8.146 1.00 0.00 N ATOM 0 H LYS A 12 18.872 -11.693 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 12 18.515 -9.083 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.191 -11.740 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.066 -10.292 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.588 -11.876 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.752 -11.761 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.124 -9.470 -5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.732 -10.291 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.130 -8.713 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.630 -8.127 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.300 -8.916 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.526 -10.071 -8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.960 -10.381 -7.995 1.00 0.00 H new ATOM 172 N ALA A 13 15.892 -10.469 -2.444 1.00 0.00 N ATOM 173 CA ALA A 13 14.597 -10.175 -1.844 1.00 0.00 C ATOM 174 C ALA A 13 14.679 -8.957 -0.930 1.00 0.00 C ATOM 175 O ALA A 13 13.750 -8.150 -0.868 1.00 0.00 O ATOM 176 CB ALA A 13 14.085 -11.382 -1.072 1.00 0.00 C ATOM 0 H ALA A 13 16.186 -11.442 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 13 13.896 -9.948 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.117 -11.147 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.978 -12.229 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.793 -11.636 -0.283 1.00 0.00 H new ATOM 182 N LEU A 14 15.795 -8.829 -0.222 1.00 0.00 N ATOM 183 CA LEU A 14 15.999 -7.709 0.690 1.00 0.00 C ATOM 184 C LEU A 14 16.153 -6.401 -0.079 1.00 0.00 C ATOM 185 O LEU A 14 15.527 -5.396 0.254 1.00 0.00 O ATOM 186 CB LEU A 14 17.234 -7.951 1.559 1.00 0.00 C ATOM 187 CG LEU A 14 17.990 -6.702 2.013 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.121 -5.855 2.930 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.287 -7.088 2.711 1.00 0.00 C ATOM 0 H LEU A 14 16.573 -9.487 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 14 15.121 -7.631 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.927 -8.508 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.924 -8.588 1.005 1.00 0.00 H new ATOM 0 HG LEU A 14 18.237 -6.110 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.676 -4.971 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.221 -5.549 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.843 -6.438 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.812 -6.187 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.062 -7.702 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.917 -7.652 2.023 1.00 0.00 H new ATOM 201 N ASN A 15 16.989 -6.423 -1.112 1.00 0.00 N ATOM 202 CA ASN A 15 17.223 -5.240 -1.931 1.00 0.00 C ATOM 203 C ASN A 15 15.963 -4.850 -2.698 1.00 0.00 C ATOM 204 O ASN A 15 15.712 -3.670 -2.939 1.00 0.00 O ATOM 205 CB ASN A 15 18.373 -5.490 -2.910 1.00 0.00 C ATOM 206 CG ASN A 15 19.731 -5.388 -2.244 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.414 -4.370 -2.355 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.130 -6.447 -1.548 1.00 0.00 N ATOM 0 H ASN A 15 17.516 -7.247 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 15 17.492 -4.418 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.262 -6.480 -3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.316 -4.769 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.036 -6.437 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.531 -7.270 -1.483 1.00 0.00 H new ATOM 215 N GLN A 16 15.176 -5.851 -3.079 1.00 0.00 N ATOM 216 CA GLN A 16 13.942 -5.613 -3.819 1.00 0.00 C ATOM 217 C GLN A 16 12.995 -4.719 -3.025 1.00 0.00 C ATOM 218 O GLN A 16 12.564 -3.671 -3.507 1.00 0.00 O ATOM 219 CB GLN A 16 13.255 -6.939 -4.147 1.00 0.00 C ATOM 220 CG GLN A 16 14.120 -7.887 -4.962 1.00 0.00 C ATOM 221 CD GLN A 16 13.652 -8.014 -6.398 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.753 -7.296 -6.837 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.261 -8.931 -7.141 1.00 0.00 N ATOM 0 H GLN A 16 15.371 -6.834 -2.888 1.00 0.00 H new ATOM 0 HA GLN A 16 14.198 -5.105 -4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.969 -7.430 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.336 -6.736 -4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.151 -7.534 -4.950 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.115 -8.871 -4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.001 -9.505 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.988 -9.061 -8.115 1.00 0.00 H new ATOM 232 N TYR A 17 12.676 -5.139 -1.806 1.00 0.00 N ATOM 233 CA TYR A 17 11.777 -4.378 -0.946 1.00 0.00 C ATOM 234 C TYR A 17 12.476 -3.142 -0.387 1.00 0.00 C ATOM 235 O TYR A 17 11.853 -2.099 -0.189 1.00 0.00 O ATOM 236 CB TYR A 17 11.271 -5.254 0.201 1.00 0.00 C ATOM 237 CG TYR A 17 12.113 -5.159 1.453 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.889 -4.158 2.391 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.133 -6.070 1.699 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.656 -4.067 3.535 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.904 -5.988 2.842 1.00 0.00 C ATOM 242 CZ TYR A 17 13.663 -4.984 3.757 1.00 0.00 C ATOM 243 OH TYR A 17 14.428 -4.898 4.897 1.00 0.00 O ATOM 0 H TYR A 17 13.026 -6.002 -1.391 1.00 0.00 H new ATOM 0 HA TYR A 17 10.928 -4.053 -1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.246 -4.969 0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.244 -6.292 -0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.101 -3.439 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.326 -6.856 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.469 -3.282 4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.691 -6.706 3.019 1.00 0.00 H new ATOM 0 HH TYR A 17 14.845 -5.766 5.077 1.00 0.00 H new ATOM 253 N ALA A 18 13.774 -3.268 -0.134 1.00 0.00 N ATOM 254 CA ALA A 18 14.559 -2.162 0.400 1.00 0.00 C ATOM 255 C ALA A 18 14.487 -0.945 -0.516 1.00 0.00 C ATOM 256 O ALA A 18 14.296 0.180 -0.055 1.00 0.00 O ATOM 257 CB ALA A 18 16.006 -2.590 0.599 1.00 0.00 C ATOM 0 H ALA A 18 14.305 -4.125 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 18 14.138 -1.883 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.581 -1.754 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.046 -3.425 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.429 -2.898 -0.357 1.00 0.00 H new ATOM 263 N ALA A 19 14.641 -1.178 -1.815 1.00 0.00 N ATOM 264 CA ALA A 19 14.591 -0.100 -2.796 1.00 0.00 C ATOM 265 C ALA A 19 13.162 0.392 -2.999 1.00 0.00 C ATOM 266 O ALA A 19 12.940 1.529 -3.414 1.00 0.00 O ATOM 267 CB ALA A 19 15.185 -0.562 -4.118 1.00 0.00 C ATOM 0 H ALA A 19 14.801 -2.103 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 19 15.183 0.732 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.141 0.253 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.223 -0.858 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.617 -1.412 -4.495 1.00 0.00 H new ATOM 273 N HIS A 20 12.196 -0.473 -2.704 1.00 0.00 N ATOM 274 CA HIS A 20 10.787 -0.125 -2.855 1.00 0.00 C ATOM 275 C HIS A 20 10.340 0.822 -1.746 1.00 0.00 C ATOM 276 O HIS A 20 9.403 1.601 -1.922 1.00 0.00 O ATOM 277 CB HIS A 20 9.925 -1.387 -2.842 1.00 0.00 C ATOM 278 CG HIS A 20 9.762 -2.016 -4.192 1.00 0.00 C ATOM 279 ND1 HIS A 20 9.500 -1.289 -5.334 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.829 -3.311 -4.579 1.00 0.00 C ATOM 281 CE1 HIS A 20 9.410 -2.110 -6.365 1.00 0.00 C ATOM 282 NE2 HIS A 20 9.606 -3.343 -5.934 1.00 0.00 N ATOM 0 H HIS A 20 12.363 -1.418 -2.360 1.00 0.00 H new ATOM 0 HA HIS A 20 10.663 0.381 -3.812 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.370 -2.114 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 20 8.941 -1.140 -2.444 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.022 -4.161 -3.941 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.210 -1.822 -7.387 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.594 -4.183 -6.513 1.00 0.00 H new ATOM 290 N SER A 21 11.016 0.750 -0.604 1.00 0.00 N ATOM 291 CA SER A 21 10.685 1.598 0.536 1.00 0.00 C ATOM 292 C SER A 21 11.473 2.903 0.488 1.00 0.00 C ATOM 293 O SER A 21 10.899 3.984 0.361 1.00 0.00 O ATOM 294 CB SER A 21 10.973 0.863 1.846 1.00 0.00 C ATOM 295 OG SER A 21 10.098 -0.240 2.015 1.00 0.00 O ATOM 0 H SER A 21 11.796 0.113 -0.443 1.00 0.00 H new ATOM 0 HA SER A 21 9.622 1.833 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.006 0.516 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.863 1.551 2.684 1.00 0.00 H new ATOM 0 HG SER A 21 10.621 -1.066 2.075 1.00 0.00 H new ATOM 301 N GLY A 22 12.794 2.794 0.591 1.00 0.00 N ATOM 302 CA GLY A 22 13.641 3.972 0.559 1.00 0.00 C ATOM 303 C GLY A 22 14.497 4.106 1.803 1.00 0.00 C ATOM 304 O GLY A 22 14.931 5.204 2.151 1.00 0.00 O ATOM 0 H GLY A 22 13.293 1.911 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.286 3.928 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.018 4.860 0.453 1.00 0.00 H new ATOM 308 N PHE A 23 14.738 2.986 2.476 1.00 0.00 N ATOM 309 CA PHE A 23 15.546 2.984 3.690 1.00 0.00 C ATOM 310 C PHE A 23 16.719 2.017 3.561 1.00 0.00 C ATOM 311 O PHE A 23 16.798 1.240 2.609 1.00 0.00 O ATOM 312 CB PHE A 23 14.687 2.602 4.898 1.00 0.00 C ATOM 313 CG PHE A 23 14.494 1.121 5.052 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.771 0.402 4.114 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.035 0.447 6.135 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.590 -0.961 4.255 1.00 0.00 C ATOM 317 CE2 PHE A 23 14.859 -0.916 6.281 1.00 0.00 C ATOM 318 CZ PHE A 23 14.136 -1.621 5.338 1.00 0.00 C ATOM 0 H PHE A 23 14.386 2.069 2.202 1.00 0.00 H new ATOM 0 HA PHE A 23 15.941 3.989 3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.151 2.996 5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.712 3.080 4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.344 0.912 3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.601 0.994 6.874 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.022 -1.510 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.286 -1.429 7.130 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.998 -2.687 5.448 1.00 0.00 H new ATOM 328 N THR A 24 17.632 2.071 4.527 1.00 0.00 N ATOM 329 CA THR A 24 18.802 1.202 4.521 1.00 0.00 C ATOM 330 C THR A 24 18.677 0.104 5.571 1.00 0.00 C ATOM 331 O THR A 24 18.052 0.297 6.615 1.00 0.00 O ATOM 332 CB THR A 24 20.094 2.000 4.781 1.00 0.00 C ATOM 333 OG1 THR A 24 20.189 3.092 3.860 1.00 0.00 O ATOM 334 CG2 THR A 24 21.318 1.106 4.645 1.00 0.00 C ATOM 0 H THR A 24 17.583 2.707 5.323 1.00 0.00 H new ATOM 0 HA THR A 24 18.855 0.749 3.531 1.00 0.00 H new ATOM 0 HB THR A 24 20.058 2.387 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.012 3.595 4.033 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.218 1.691 4.833 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.256 0.292 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.357 0.693 3.637 1.00 0.00 H new ATOM 342 N LEU A 25 19.274 -1.048 5.289 1.00 0.00 N ATOM 343 CA LEU A 25 19.230 -2.179 6.210 1.00 0.00 C ATOM 344 C LEU A 25 20.590 -2.864 6.296 1.00 0.00 C ATOM 345 O LEU A 25 21.278 -3.029 5.289 1.00 0.00 O ATOM 346 CB LEU A 25 18.167 -3.184 5.764 1.00 0.00 C ATOM 347 CG LEU A 25 17.868 -4.323 6.740 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.519 -4.114 7.408 1.00 0.00 C ATOM 349 CD2 LEU A 25 17.908 -5.664 6.022 1.00 0.00 C ATOM 0 H LEU A 25 19.795 -1.224 4.430 1.00 0.00 H new ATOM 0 HA LEU A 25 18.971 -1.801 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.240 -2.642 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.482 -3.619 4.815 1.00 0.00 H new ATOM 0 HG LEU A 25 18.636 -4.324 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.324 -4.934 8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.527 -3.172 7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.738 -4.085 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.693 -6.463 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.162 -5.674 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.898 -5.817 5.592 1.00 0.00 H new ATOM 361 N SER A 26 20.970 -3.264 7.506 1.00 0.00 N ATOM 362 CA SER A 26 22.248 -3.930 7.724 1.00 0.00 C ATOM 363 C SER A 26 22.043 -5.310 8.343 1.00 0.00 C ATOM 364 O SER A 26 21.769 -5.432 9.537 1.00 0.00 O ATOM 365 CB SER A 26 23.142 -3.081 8.629 1.00 0.00 C ATOM 366 OG SER A 26 24.497 -3.154 8.221 1.00 0.00 O ATOM 0 H SER A 26 20.411 -3.138 8.350 1.00 0.00 H new ATOM 0 HA SER A 26 22.735 -4.053 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.808 -2.044 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.050 -3.423 9.660 1.00 0.00 H new ATOM 0 HG SER A 26 25.048 -2.601 8.814 1.00 0.00 H new ATOM 372 N VAL A 27 22.176 -6.346 7.522 1.00 0.00 N ATOM 373 CA VAL A 27 22.006 -7.717 7.987 1.00 0.00 C ATOM 374 C VAL A 27 23.157 -8.602 7.521 1.00 0.00 C ATOM 375 O VAL A 27 23.603 -8.507 6.377 1.00 0.00 O ATOM 376 CB VAL A 27 20.678 -8.318 7.491 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.490 -8.048 6.006 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.627 -9.811 7.780 1.00 0.00 C ATOM 0 H VAL A 27 22.401 -6.262 6.531 1.00 0.00 H new ATOM 0 HA VAL A 27 21.996 -7.682 9.076 1.00 0.00 H new ATOM 0 HB VAL A 27 19.860 -7.839 8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.546 -8.480 5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.478 -6.972 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.311 -8.498 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.681 -10.219 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.452 -10.309 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.711 -9.977 8.854 1.00 0.00 H new ATOM 388 N ASP A 28 23.633 -9.463 8.413 1.00 0.00 N ATOM 389 CA ASP A 28 24.732 -10.367 8.093 1.00 0.00 C ATOM 390 C ASP A 28 24.245 -11.532 7.237 1.00 0.00 C ATOM 391 O ASP A 28 23.748 -12.532 7.755 1.00 0.00 O ATOM 392 CB ASP A 28 25.376 -10.896 9.376 1.00 0.00 C ATOM 393 CG ASP A 28 26.138 -9.821 10.126 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.112 -9.281 9.561 1.00 0.00 O ATOM 395 OD2 ASP A 28 25.760 -9.520 11.277 1.00 0.00 O ATOM 0 H ASP A 28 23.275 -9.554 9.364 1.00 0.00 H new ATOM 0 HA ASP A 28 25.476 -9.808 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.603 -11.309 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.054 -11.713 9.129 1.00 0.00 H new ATOM 524 N SER A 37 14.904 -16.713 0.507 1.00 0.00 N ATOM 525 CA SER A 37 13.860 -16.169 1.368 1.00 0.00 C ATOM 526 C SER A 37 12.562 -15.975 0.590 1.00 0.00 C ATOM 527 O SER A 37 12.568 -15.882 -0.636 1.00 0.00 O ATOM 528 CB SER A 37 14.309 -14.837 1.972 1.00 0.00 C ATOM 529 OG SER A 37 13.633 -13.749 1.367 1.00 0.00 O ATOM 0 HA SER A 37 13.679 -16.882 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.117 -14.837 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 37 15.385 -14.719 1.841 1.00 0.00 H new ATOM 0 HG SER A 37 13.937 -12.910 1.771 1.00 0.00 H new ATOM 535 N ASN A 38 11.449 -15.916 1.314 1.00 0.00 N ATOM 536 CA ASN A 38 10.142 -15.734 0.693 1.00 0.00 C ATOM 537 C ASN A 38 9.931 -14.280 0.285 1.00 0.00 C ATOM 538 O ASN A 38 10.044 -13.371 1.106 1.00 0.00 O ATOM 539 CB ASN A 38 9.033 -16.171 1.653 1.00 0.00 C ATOM 540 CG ASN A 38 7.674 -16.225 0.981 1.00 0.00 C ATOM 541 OD1 ASN A 38 6.876 -15.294 1.095 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.406 -17.317 0.275 1.00 0.00 N ATOM 0 H ASN A 38 11.426 -15.992 2.331 1.00 0.00 H new ATOM 0 HA ASN A 38 10.104 -16.354 -0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.274 -17.154 2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.992 -15.480 2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.508 -17.409 -0.201 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.098 -18.064 0.208 1.00 0.00 H new ATOM 549 N GLY A 39 9.624 -14.068 -0.992 1.00 0.00 N ATOM 550 CA GLY A 39 9.403 -12.722 -1.488 1.00 0.00 C ATOM 551 C GLY A 39 8.155 -12.088 -0.905 1.00 0.00 C ATOM 552 O GLY A 39 7.586 -12.594 0.062 1.00 0.00 O ATOM 0 H GLY A 39 9.525 -14.804 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.268 -12.103 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.321 -12.747 -2.575 1.00 0.00 H new ATOM 556 N LEU A 40 7.730 -10.975 -1.494 1.00 0.00 N ATOM 557 CA LEU A 40 6.542 -10.269 -1.026 1.00 0.00 C ATOM 558 C LEU A 40 5.409 -10.376 -2.042 1.00 0.00 C ATOM 559 O LEU A 40 5.642 -10.651 -3.220 1.00 0.00 O ATOM 560 CB LEU A 40 6.870 -8.798 -0.763 1.00 0.00 C ATOM 561 CG LEU A 40 5.766 -7.972 -0.101 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.321 -8.623 1.200 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.242 -6.549 0.148 1.00 0.00 C ATOM 0 H LEU A 40 8.190 -10.543 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 40 6.216 -10.734 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.758 -8.752 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.128 -8.329 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 40 4.911 -7.935 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.535 -8.022 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.940 -9.623 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.169 -8.691 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.444 -5.976 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.113 -6.566 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.511 -6.084 -0.800 1.00 0.00 H new ATOM 575 N HIS A 41 4.183 -10.154 -1.579 1.00 0.00 N ATOM 576 CA HIS A 41 3.014 -10.223 -2.449 1.00 0.00 C ATOM 577 C HIS A 41 1.826 -9.503 -1.819 1.00 0.00 C ATOM 578 O HIS A 41 1.159 -10.039 -0.935 1.00 0.00 O ATOM 579 CB HIS A 41 2.649 -11.680 -2.734 1.00 0.00 C ATOM 580 CG HIS A 41 2.178 -11.916 -4.136 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.854 -11.832 -4.510 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.864 -12.234 -5.259 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.745 -12.089 -5.801 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.951 -12.336 -6.279 1.00 0.00 N ATOM 0 H HIS A 41 3.973 -9.925 -0.607 1.00 0.00 H new ATOM 0 HA HIS A 41 3.261 -9.728 -3.388 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.519 -12.308 -2.541 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.869 -11.993 -2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.931 -12.380 -5.338 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.174 -12.096 -6.369 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.169 -12.565 -7.249 1.00 0.00 H new ATOM 592 N GLY A 42 1.567 -8.283 -2.280 1.00 0.00 N ATOM 593 CA GLY A 42 0.459 -7.509 -1.750 1.00 0.00 C ATOM 594 C GLY A 42 0.888 -6.134 -1.275 1.00 0.00 C ATOM 595 O GLY A 42 2.058 -5.769 -1.385 1.00 0.00 O ATOM 0 H GLY A 42 2.104 -7.817 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.306 -7.402 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.005 -8.051 -0.921 1.00 0.00 H new ATOM 599 N ASP A 43 -0.062 -5.370 -0.749 1.00 0.00 N ATOM 600 CA ASP A 43 0.222 -4.027 -0.256 1.00 0.00 C ATOM 601 C ASP A 43 0.746 -4.073 1.176 1.00 0.00 C ATOM 602 O ASP A 43 0.028 -4.462 2.098 1.00 0.00 O ATOM 603 CB ASP A 43 -1.034 -3.158 -0.325 1.00 0.00 C ATOM 604 CG ASP A 43 -0.954 -1.950 0.588 1.00 0.00 C ATOM 605 OD1 ASP A 43 0.151 -1.389 0.732 1.00 0.00 O ATOM 606 OD2 ASP A 43 -1.997 -1.567 1.158 1.00 0.00 O ATOM 0 H ASP A 43 -1.036 -5.657 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 43 0.992 -3.589 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.185 -2.824 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.903 -3.758 -0.054 1.00 0.00 H new ATOM 611 N TYR A 44 2.000 -3.674 1.355 1.00 0.00 N ATOM 612 CA TYR A 44 2.621 -3.673 2.675 1.00 0.00 C ATOM 613 C TYR A 44 3.620 -2.528 2.806 1.00 0.00 C ATOM 614 O TYR A 44 4.491 -2.348 1.954 1.00 0.00 O ATOM 615 CB TYR A 44 3.321 -5.008 2.933 1.00 0.00 C ATOM 616 CG TYR A 44 2.384 -6.194 2.932 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.565 -6.458 4.023 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.315 -7.050 1.840 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.708 -7.541 4.027 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.459 -8.135 1.834 1.00 0.00 C ATOM 621 CZ TYR A 44 0.658 -8.376 2.931 1.00 0.00 C ATOM 622 OH TYR A 44 -0.196 -9.455 2.930 1.00 0.00 O ATOM 0 H TYR A 44 2.607 -3.347 0.603 1.00 0.00 H new ATOM 0 HA TYR A 44 1.836 -3.533 3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.087 -5.160 2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.832 -4.961 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.599 -5.805 4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.942 -6.864 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.080 -7.733 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.417 -8.790 0.976 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.109 -9.940 2.083 1.00 0.00 H new ATOM 632 N ASP A 45 3.488 -1.756 3.879 1.00 0.00 N ATOM 633 CA ASP A 45 4.379 -0.628 4.124 1.00 0.00 C ATOM 634 C ASP A 45 5.833 -1.087 4.183 1.00 0.00 C ATOM 635 O ASP A 45 6.126 -2.275 4.045 1.00 0.00 O ATOM 636 CB ASP A 45 4.000 0.074 5.429 1.00 0.00 C ATOM 637 CG ASP A 45 4.193 1.576 5.354 1.00 0.00 C ATOM 638 OD1 ASP A 45 3.972 2.149 4.267 1.00 0.00 O ATOM 639 OD2 ASP A 45 4.565 2.179 6.383 1.00 0.00 O ATOM 0 H ASP A 45 2.772 -1.891 4.593 1.00 0.00 H new ATOM 0 HA ASP A 45 4.272 0.075 3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.959 -0.144 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.604 -0.327 6.243 1.00 0.00 H new ATOM 644 N VAL A 46 6.740 -0.138 4.388 1.00 0.00 N ATOM 645 CA VAL A 46 8.164 -0.445 4.466 1.00 0.00 C ATOM 646 C VAL A 46 8.443 -1.491 5.538 1.00 0.00 C ATOM 647 O VAL A 46 9.142 -2.473 5.293 1.00 0.00 O ATOM 648 CB VAL A 46 8.994 0.817 4.767 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.423 1.559 5.965 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.452 0.452 5.001 1.00 0.00 C ATOM 0 H VAL A 46 6.515 0.850 4.503 1.00 0.00 H new ATOM 0 HA VAL A 46 8.456 -0.840 3.493 1.00 0.00 H new ATOM 0 HB VAL A 46 8.943 1.479 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.023 2.448 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.395 1.854 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.441 0.908 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.024 1.356 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.525 -0.230 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.853 -0.032 4.110 1.00 0.00 H new ATOM 660 N GLU A 47 7.891 -1.274 6.728 1.00 0.00 N ATOM 661 CA GLU A 47 8.081 -2.199 7.838 1.00 0.00 C ATOM 662 C GLU A 47 7.247 -3.462 7.644 1.00 0.00 C ATOM 663 O GLU A 47 7.753 -4.578 7.762 1.00 0.00 O ATOM 664 CB GLU A 47 7.707 -1.527 9.161 1.00 0.00 C ATOM 665 CG GLU A 47 8.869 -1.408 10.133 1.00 0.00 C ATOM 666 CD GLU A 47 9.647 -2.702 10.274 1.00 0.00 C ATOM 667 OE1 GLU A 47 9.045 -3.779 10.079 1.00 0.00 O ATOM 668 OE2 GLU A 47 10.856 -2.638 10.579 1.00 0.00 O ATOM 0 H GLU A 47 7.309 -0.466 6.947 1.00 0.00 H new ATOM 0 HA GLU A 47 9.134 -2.480 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.313 -0.532 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.906 -2.095 9.634 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.541 -0.619 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.491 -1.107 11.110 1.00 0.00 H new ATOM 675 N SER A 48 5.965 -3.277 7.345 1.00 0.00 N ATOM 676 CA SER A 48 5.058 -4.400 7.138 1.00 0.00 C ATOM 677 C SER A 48 5.624 -5.372 6.106 1.00 0.00 C ATOM 678 O SER A 48 5.710 -6.574 6.351 1.00 0.00 O ATOM 679 CB SER A 48 3.686 -3.899 6.684 1.00 0.00 C ATOM 680 OG SER A 48 2.646 -4.681 7.244 1.00 0.00 O ATOM 0 H SER A 48 5.531 -2.360 7.241 1.00 0.00 H new ATOM 0 HA SER A 48 4.949 -4.926 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.560 -2.857 6.978 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.625 -3.933 5.596 1.00 0.00 H new ATOM 0 HG SER A 48 1.779 -4.339 6.940 1.00 0.00 H new ATOM 686 N GLY A 49 6.009 -4.840 4.950 1.00 0.00 N ATOM 687 CA GLY A 49 6.562 -5.672 3.898 1.00 0.00 C ATOM 688 C GLY A 49 7.890 -6.292 4.285 1.00 0.00 C ATOM 689 O GLY A 49 8.181 -7.432 3.923 1.00 0.00 O ATOM 0 H GLY A 49 5.948 -3.847 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.853 -6.463 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.693 -5.073 2.997 1.00 0.00 H new ATOM 693 N LEU A 50 8.699 -5.539 5.023 1.00 0.00 N ATOM 694 CA LEU A 50 10.005 -6.019 5.459 1.00 0.00 C ATOM 695 C LEU A 50 9.873 -7.322 6.241 1.00 0.00 C ATOM 696 O LEU A 50 10.515 -8.320 5.915 1.00 0.00 O ATOM 697 CB LEU A 50 10.698 -4.962 6.320 1.00 0.00 C ATOM 698 CG LEU A 50 11.665 -5.489 7.381 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.747 -6.344 6.740 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.284 -4.337 8.158 1.00 0.00 C ATOM 0 H LEU A 50 8.473 -4.593 5.332 1.00 0.00 H new ATOM 0 HA LEU A 50 10.609 -6.209 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.245 -4.287 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.931 -4.369 6.818 1.00 0.00 H new ATOM 0 HG LEU A 50 11.104 -6.112 8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.426 -6.710 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.287 -7.190 6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.305 -5.745 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.969 -4.731 8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.830 -3.688 7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.497 -3.765 8.650 1.00 0.00 H new ATOM 712 N GLN A 51 9.033 -7.305 7.271 1.00 0.00 N ATOM 713 CA GLN A 51 8.816 -8.486 8.098 1.00 0.00 C ATOM 714 C GLN A 51 8.160 -9.602 7.292 1.00 0.00 C ATOM 715 O GLN A 51 8.289 -10.779 7.626 1.00 0.00 O ATOM 716 CB GLN A 51 7.946 -8.135 9.307 1.00 0.00 C ATOM 717 CG GLN A 51 8.510 -7.007 10.156 1.00 0.00 C ATOM 718 CD GLN A 51 9.171 -7.507 11.425 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.562 -7.512 12.495 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.424 -7.931 11.314 1.00 0.00 N ATOM 0 H GLN A 51 8.492 -6.487 7.552 1.00 0.00 H new ATOM 0 HA GLN A 51 9.787 -8.837 8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.952 -7.855 8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.828 -9.022 9.929 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.237 -6.444 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.707 -6.317 10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.891 -7.909 10.408 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.919 -8.278 12.135 1.00 0.00 H new ATOM 729 N GLN A 52 7.457 -9.223 6.229 1.00 0.00 N ATOM 730 CA GLN A 52 6.781 -10.193 5.376 1.00 0.00 C ATOM 731 C GLN A 52 7.776 -10.904 4.465 1.00 0.00 C ATOM 732 O GLN A 52 7.542 -12.035 4.035 1.00 0.00 O ATOM 733 CB GLN A 52 5.705 -9.502 4.536 1.00 0.00 C ATOM 734 CG GLN A 52 4.326 -10.124 4.682 1.00 0.00 C ATOM 735 CD GLN A 52 4.304 -11.591 4.303 1.00 0.00 C ATOM 736 OE1 GLN A 52 4.013 -12.455 5.131 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.612 -11.882 3.044 1.00 0.00 N ATOM 0 H GLN A 52 7.341 -8.252 5.939 1.00 0.00 H new ATOM 0 HA GLN A 52 6.309 -10.937 6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.652 -8.451 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.999 -9.533 3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.989 -10.014 5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.618 -9.580 4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.847 -11.135 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.613 -12.853 2.731 1.00 0.00 H new ATOM 746 N LEU A 53 8.886 -10.235 4.174 1.00 0.00 N ATOM 747 CA LEU A 53 9.917 -10.803 3.313 1.00 0.00 C ATOM 748 C LEU A 53 10.693 -11.896 4.041 1.00 0.00 C ATOM 749 O LEU A 53 10.779 -13.031 3.569 1.00 0.00 O ATOM 750 CB LEU A 53 10.877 -9.708 2.843 1.00 0.00 C ATOM 751 CG LEU A 53 10.641 -9.170 1.431 1.00 0.00 C ATOM 752 CD1 LEU A 53 10.155 -10.279 0.511 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.643 -8.021 1.458 1.00 0.00 C ATOM 0 H LEU A 53 9.095 -9.299 4.521 1.00 0.00 H new ATOM 0 HA LEU A 53 9.428 -11.246 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.816 -8.874 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.894 -10.096 2.897 1.00 0.00 H new ATOM 0 HG LEU A 53 11.588 -8.794 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.993 -9.877 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.904 -11.070 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.220 -10.686 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.487 -7.651 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.695 -8.372 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.031 -7.217 2.083 1.00 0.00 H new ATOM 765 N LEU A 54 11.254 -11.549 5.193 1.00 0.00 N ATOM 766 CA LEU A 54 12.021 -12.501 5.989 1.00 0.00 C ATOM 767 C LEU A 54 11.096 -13.408 6.793 1.00 0.00 C ATOM 768 O LEU A 54 11.550 -14.333 7.468 1.00 0.00 O ATOM 769 CB LEU A 54 12.973 -11.760 6.930 1.00 0.00 C ATOM 770 CG LEU A 54 12.459 -11.518 8.349 1.00 0.00 C ATOM 771 CD1 LEU A 54 11.002 -11.083 8.323 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.629 -12.769 9.199 1.00 0.00 C ATOM 0 H LEU A 54 11.192 -10.615 5.598 1.00 0.00 H new ATOM 0 HA LEU A 54 12.604 -13.120 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.903 -12.325 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.216 -10.796 6.484 1.00 0.00 H new ATOM 0 HG LEU A 54 13.048 -10.717 8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.654 -10.916 9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.908 -10.160 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.398 -11.862 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.258 -12.578 10.206 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.067 -13.590 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.685 -13.036 9.246 1.00 0.00 H new ATOM 784 N ASP A 55 9.798 -13.139 6.716 1.00 0.00 N ATOM 785 CA ASP A 55 8.808 -13.932 7.434 1.00 0.00 C ATOM 786 C ASP A 55 9.055 -15.424 7.231 1.00 0.00 C ATOM 787 O ASP A 55 8.964 -15.932 6.114 1.00 0.00 O ATOM 788 CB ASP A 55 7.397 -13.569 6.970 1.00 0.00 C ATOM 789 CG ASP A 55 6.400 -14.683 7.220 1.00 0.00 C ATOM 790 OD1 ASP A 55 5.801 -14.710 8.316 1.00 0.00 O ATOM 791 OD2 ASP A 55 6.217 -15.528 6.319 1.00 0.00 O ATOM 0 H ASP A 55 9.406 -12.377 6.163 1.00 0.00 H new ATOM 0 HA ASP A 55 8.901 -13.707 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.068 -12.668 7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.417 -13.335 5.906 1.00 0.00 H new ATOM 796 N GLY A 56 9.370 -16.121 8.318 1.00 0.00 N ATOM 797 CA GLY A 56 9.628 -17.547 8.238 1.00 0.00 C ATOM 798 C GLY A 56 10.430 -18.059 9.417 1.00 0.00 C ATOM 799 O GLY A 56 10.380 -19.245 9.743 1.00 0.00 O ATOM 0 H GLY A 56 9.451 -15.723 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.680 -18.082 8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.166 -17.764 7.315 1.00 0.00 H new ATOM 803 N SER A 57 11.175 -17.163 10.058 1.00 0.00 N ATOM 804 CA SER A 57 11.997 -17.532 11.204 1.00 0.00 C ATOM 805 C SER A 57 11.556 -16.776 12.454 1.00 0.00 C ATOM 806 O SER A 57 11.656 -17.286 13.569 1.00 0.00 O ATOM 807 CB SER A 57 13.471 -17.246 10.915 1.00 0.00 C ATOM 808 OG SER A 57 13.640 -15.957 10.351 1.00 0.00 O ATOM 0 H SER A 57 11.226 -16.177 9.803 1.00 0.00 H new ATOM 0 HA SER A 57 11.870 -18.600 11.382 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.047 -17.321 11.838 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.864 -17.999 10.232 1.00 0.00 H new ATOM 0 HG SER A 57 14.591 -15.798 10.177 1.00 0.00 H new ATOM 814 N GLY A 58 11.068 -15.555 12.258 1.00 0.00 N ATOM 815 CA GLY A 58 10.619 -14.747 13.377 1.00 0.00 C ATOM 816 C GLY A 58 11.769 -14.096 14.120 1.00 0.00 C ATOM 817 O GLY A 58 12.336 -14.685 15.041 1.00 0.00 O ATOM 0 H GLY A 58 10.976 -15.111 11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.941 -13.974 13.014 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.051 -15.371 14.067 1.00 0.00 H new ATOM 821 N LEU A 59 12.115 -12.878 13.719 1.00 0.00 N ATOM 822 CA LEU A 59 13.206 -12.145 14.352 1.00 0.00 C ATOM 823 C LEU A 59 12.772 -10.730 14.719 1.00 0.00 C ATOM 824 O LEU A 59 11.660 -10.310 14.398 1.00 0.00 O ATOM 825 CB LEU A 59 14.419 -12.093 13.421 1.00 0.00 C ATOM 826 CG LEU A 59 15.425 -13.236 13.563 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.178 -14.299 12.504 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.849 -12.708 13.471 1.00 0.00 C ATOM 0 H LEU A 59 11.656 -12.377 12.958 1.00 0.00 H new ATOM 0 HA LEU A 59 13.480 -12.670 15.267 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.061 -12.077 12.392 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.942 -11.152 13.591 1.00 0.00 H new ATOM 0 HG LEU A 59 15.292 -13.692 14.544 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.903 -15.104 12.621 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.170 -14.699 12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.283 -13.857 11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.551 -13.535 13.574 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.996 -12.225 12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.021 -11.985 14.268 1.00 0.00 H new ATOM 840 N GLN A 60 13.656 -10.001 15.392 1.00 0.00 N ATOM 841 CA GLN A 60 13.363 -8.632 15.801 1.00 0.00 C ATOM 842 C GLN A 60 14.280 -7.643 15.088 1.00 0.00 C ATOM 843 O GLN A 60 15.478 -7.885 14.942 1.00 0.00 O ATOM 844 CB GLN A 60 13.516 -8.487 17.316 1.00 0.00 C ATOM 845 CG GLN A 60 14.795 -9.102 17.860 1.00 0.00 C ATOM 846 CD GLN A 60 16.006 -8.217 17.646 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.876 -7.027 17.356 1.00 0.00 O ATOM 848 NE2 GLN A 60 17.194 -8.793 17.788 1.00 0.00 N ATOM 0 H GLN A 60 14.580 -10.335 15.666 1.00 0.00 H new ATOM 0 HA GLN A 60 12.333 -8.409 15.524 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.493 -7.429 17.575 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.661 -8.954 17.805 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.675 -9.296 18.926 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.964 -10.065 17.378 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.256 -9.782 18.029 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.045 -8.246 17.656 1.00 0.00 H new ATOM 857 N VAL A 61 13.708 -6.528 14.645 1.00 0.00 N ATOM 858 CA VAL A 61 14.474 -5.501 13.948 1.00 0.00 C ATOM 859 C VAL A 61 14.529 -4.211 14.759 1.00 0.00 C ATOM 860 O VAL A 61 13.566 -3.847 15.434 1.00 0.00 O ATOM 861 CB VAL A 61 13.874 -5.198 12.562 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.872 -4.436 11.704 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.441 -6.484 11.876 1.00 0.00 C ATOM 0 H VAL A 61 12.717 -6.313 14.756 1.00 0.00 H new ATOM 0 HA VAL A 61 15.484 -5.890 13.822 1.00 0.00 H new ATOM 0 HB VAL A 61 12.993 -4.571 12.696 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.431 -4.231 10.729 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.128 -3.495 12.192 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.774 -5.035 11.576 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.020 -6.251 10.898 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.304 -7.139 11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.689 -6.986 12.485 1.00 0.00 H new ATOM 873 N LYS A 62 15.664 -3.523 14.689 1.00 0.00 N ATOM 874 CA LYS A 62 15.847 -2.272 15.415 1.00 0.00 C ATOM 875 C LYS A 62 16.722 -1.306 14.623 1.00 0.00 C ATOM 876 O LYS A 62 17.707 -1.696 13.995 1.00 0.00 O ATOM 877 CB LYS A 62 16.474 -2.540 16.784 1.00 0.00 C ATOM 878 CG LYS A 62 17.838 -3.204 16.709 1.00 0.00 C ATOM 879 CD LYS A 62 17.718 -4.713 16.586 1.00 0.00 C ATOM 880 CE LYS A 62 18.589 -5.427 17.609 1.00 0.00 C ATOM 881 NZ LYS A 62 17.923 -5.517 18.938 1.00 0.00 N ATOM 0 H LYS A 62 16.471 -3.811 14.136 1.00 0.00 H new ATOM 0 HA LYS A 62 14.867 -1.815 15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.568 -1.597 17.322 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.803 -3.173 17.364 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.388 -2.811 15.854 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.414 -2.955 17.600 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.678 -5.009 16.723 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.008 -5.021 15.581 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.822 -6.430 17.251 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.536 -4.897 17.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.548 -6.010 19.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.723 -4.560 19.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.032 -6.044 18.845 1.00 0.00 H new ATOM 895 N PRO A 63 16.359 -0.016 14.652 1.00 0.00 N ATOM 896 CA PRO A 63 17.100 1.032 13.944 1.00 0.00 C ATOM 897 C PRO A 63 18.464 1.301 14.570 1.00 0.00 C ATOM 898 O PRO A 63 18.710 0.947 15.723 1.00 0.00 O ATOM 899 CB PRO A 63 16.196 2.260 14.082 1.00 0.00 C ATOM 900 CG PRO A 63 15.401 2.008 15.316 1.00 0.00 C ATOM 901 CD PRO A 63 15.196 0.520 15.380 1.00 0.00 C ATOM 0 HA PRO A 63 17.311 0.755 12.911 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.782 3.175 14.168 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.550 2.376 13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.928 2.368 16.200 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.446 2.532 15.279 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.166 0.162 16.409 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.257 0.223 14.912 1.00 0.00 H new ATOM 909 N LEU A 64 19.348 1.929 13.802 1.00 0.00 N ATOM 910 CA LEU A 64 20.689 2.247 14.282 1.00 0.00 C ATOM 911 C LEU A 64 20.975 3.739 14.149 1.00 0.00 C ATOM 912 O LEU A 64 21.160 4.437 15.145 1.00 0.00 O ATOM 913 CB LEU A 64 21.733 1.444 13.504 1.00 0.00 C ATOM 914 CG LEU A 64 21.306 0.047 13.051 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.348 -0.555 12.123 1.00 0.00 C ATOM 916 CD2 LEU A 64 21.074 -0.856 14.254 1.00 0.00 C ATOM 0 H LEU A 64 19.161 2.228 12.845 1.00 0.00 H new ATOM 0 HA LEU A 64 20.745 1.978 15.337 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.020 2.018 12.623 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.623 1.346 14.125 1.00 0.00 H new ATOM 0 HG LEU A 64 20.369 0.135 12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.027 -1.549 11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.464 0.081 11.245 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.301 -0.629 12.646 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.771 -1.846 13.913 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.995 -0.937 14.831 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.290 -0.432 14.881 1.00 0.00 H new ATOM 928 N GLY A 65 21.009 4.222 12.911 1.00 0.00 N ATOM 929 CA GLY A 65 21.271 5.629 12.670 1.00 0.00 C ATOM 930 C GLY A 65 20.320 6.231 11.655 1.00 0.00 C ATOM 931 O GLY A 65 19.123 6.353 11.913 1.00 0.00 O ATOM 0 H GLY A 65 20.860 3.664 12.070 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.189 6.176 13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.296 5.749 12.319 1.00 0.00 H new ATOM 935 N ASN A 66 20.853 6.611 10.499 1.00 0.00 N ATOM 936 CA ASN A 66 20.043 7.206 9.442 1.00 0.00 C ATOM 937 C ASN A 66 19.049 6.193 8.883 1.00 0.00 C ATOM 938 O ASN A 66 19.349 5.475 7.930 1.00 0.00 O ATOM 939 CB ASN A 66 20.939 7.732 8.319 1.00 0.00 C ATOM 940 CG ASN A 66 20.717 9.207 8.045 1.00 0.00 C ATOM 941 OD1 ASN A 66 21.662 9.996 8.028 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.463 9.586 7.828 1.00 0.00 N ATOM 0 H ASN A 66 21.843 6.518 10.270 1.00 0.00 H new ATOM 0 HA ASN A 66 19.484 8.038 9.871 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.983 7.568 8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.748 7.163 7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.252 10.566 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.711 8.898 7.852 1.00 0.00 H new ATOM 949 N ASN A 67 17.864 6.142 9.482 1.00 0.00 N ATOM 950 CA ASN A 67 16.825 5.217 9.044 1.00 0.00 C ATOM 951 C ASN A 67 17.423 3.865 8.667 1.00 0.00 C ATOM 952 O ASN A 67 16.983 3.224 7.713 1.00 0.00 O ATOM 953 CB ASN A 67 16.063 5.801 7.852 1.00 0.00 C ATOM 954 CG ASN A 67 16.987 6.218 6.724 1.00 0.00 C ATOM 955 OD1 ASN A 67 17.273 7.403 6.548 1.00 0.00 O ATOM 956 ND2 ASN A 67 17.459 5.245 5.955 1.00 0.00 N ATOM 0 H ASN A 67 17.599 6.730 10.272 1.00 0.00 H new ATOM 0 HA ASN A 67 16.132 5.069 9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.352 5.063 7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.484 6.664 8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.086 5.465 5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.195 4.277 6.138 1.00 0.00 H new ATOM 963 N SER A 68 18.429 3.438 9.424 1.00 0.00 N ATOM 964 CA SER A 68 19.090 2.164 9.167 1.00 0.00 C ATOM 965 C SER A 68 18.636 1.105 10.168 1.00 0.00 C ATOM 966 O SER A 68 18.846 1.243 11.373 1.00 0.00 O ATOM 967 CB SER A 68 20.610 2.330 9.239 1.00 0.00 C ATOM 968 OG SER A 68 20.981 3.690 9.091 1.00 0.00 O ATOM 0 H SER A 68 18.804 3.955 10.219 1.00 0.00 H new ATOM 0 HA SER A 68 18.814 1.835 8.165 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.976 1.952 10.194 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.082 1.734 8.458 1.00 0.00 H new ATOM 0 HG SER A 68 20.425 4.108 8.401 1.00 0.00 H new ATOM 974 N TRP A 69 18.012 0.049 9.659 1.00 0.00 N ATOM 975 CA TRP A 69 17.527 -1.034 10.507 1.00 0.00 C ATOM 976 C TRP A 69 18.414 -2.267 10.375 1.00 0.00 C ATOM 977 O TRP A 69 19.076 -2.463 9.355 1.00 0.00 O ATOM 978 CB TRP A 69 16.084 -1.387 10.143 1.00 0.00 C ATOM 979 CG TRP A 69 15.145 -0.223 10.240 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.218 0.949 9.543 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.994 -0.120 11.084 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.181 1.775 9.903 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.415 1.143 10.847 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.393 -0.971 12.016 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.268 1.572 11.508 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.255 -0.543 12.672 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.702 0.719 12.416 1.00 0.00 C ATOM 0 H TRP A 69 17.830 -0.081 8.664 1.00 0.00 H new ATOM 0 HA TRP A 69 17.560 -0.695 11.542 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.059 -1.781 9.127 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.735 -2.182 10.802 1.00 0.00 H new ATOM 0 HD1 TRP A 69 15.979 1.191 8.816 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.009 2.708 9.528 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.811 -1.946 12.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.840 2.544 11.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.783 -1.192 13.395 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.812 1.024 12.946 1.00 0.00 H new ATOM 998 N THR A 70 18.424 -3.098 11.413 1.00 0.00 N ATOM 999 CA THR A 70 19.230 -4.312 11.413 1.00 0.00 C ATOM 1000 C THR A 70 18.437 -5.499 11.948 1.00 0.00 C ATOM 1001 O THR A 70 17.557 -5.339 12.795 1.00 0.00 O ATOM 1002 CB THR A 70 20.506 -4.138 12.259 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.367 -5.269 12.084 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.162 -3.980 13.732 1.00 0.00 C ATOM 0 H THR A 70 17.882 -2.952 12.265 1.00 0.00 H new ATOM 0 HA THR A 70 19.512 -4.505 10.378 1.00 0.00 H new ATOM 0 HB THR A 70 21.018 -3.236 11.923 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.726 -5.269 11.172 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.079 -3.859 14.309 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.530 -3.102 13.866 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.630 -4.866 14.078 1.00 0.00 H new ATOM 1012 N LEU A 71 18.755 -6.689 11.451 1.00 0.00 N ATOM 1013 CA LEU A 71 18.072 -7.904 11.880 1.00 0.00 C ATOM 1014 C LEU A 71 18.927 -8.689 12.870 1.00 0.00 C ATOM 1015 O LEU A 71 20.121 -8.891 12.649 1.00 0.00 O ATOM 1016 CB LEU A 71 17.739 -8.780 10.670 1.00 0.00 C ATOM 1017 CG LEU A 71 16.357 -8.570 10.050 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.266 -8.976 11.029 1.00 0.00 C ATOM 1019 CD2 LEU A 71 16.179 -7.121 9.621 1.00 0.00 C ATOM 0 H LEU A 71 19.481 -6.838 10.751 1.00 0.00 H new ATOM 0 HA LEU A 71 17.146 -7.614 12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.491 -8.604 9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.827 -9.825 10.968 1.00 0.00 H new ATOM 0 HG LEU A 71 16.277 -9.202 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.289 -8.820 10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.382 -10.029 11.287 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.344 -8.371 11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.190 -6.990 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.280 -6.470 10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.940 -6.864 8.884 1.00 0.00 H new ATOM 1031 N GLU A 72 18.307 -9.129 13.960 1.00 0.00 N ATOM 1032 CA GLU A 72 19.012 -9.893 14.983 1.00 0.00 C ATOM 1033 C GLU A 72 18.048 -10.792 15.752 1.00 0.00 C ATOM 1034 O GLU A 72 16.835 -10.587 15.752 1.00 0.00 O ATOM 1035 CB GLU A 72 19.730 -8.950 15.951 1.00 0.00 C ATOM 1036 CG GLU A 72 21.159 -8.633 15.545 1.00 0.00 C ATOM 1037 CD GLU A 72 22.043 -8.300 16.732 1.00 0.00 C ATOM 1038 OE1 GLU A 72 21.502 -8.124 17.843 1.00 0.00 O ATOM 1039 OE2 GLU A 72 23.275 -8.217 16.548 1.00 0.00 O ATOM 0 H GLU A 72 17.319 -8.970 14.158 1.00 0.00 H new ATOM 0 HA GLU A 72 19.750 -10.523 14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.167 -8.020 16.023 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.734 -9.398 16.945 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.579 -9.486 15.012 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.158 -7.793 14.851 1.00 0.00 H new