USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 848 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 Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.534 K(o=-0.53,f=-6!) USER MOD Single : A 18 MET CE :methyl 173:sc= -0.087 (180deg=-0.163) USER MOD Single : A 19 MET CE :methyl -132:sc= -0.0478 (180deg=-0.821) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 1.07 (180deg=0.536) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 150:sc= 0.351 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.204 K(o=-0.2,f=-4.1!) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 1.19 (180deg=0.939) USER MOD Single : A 65 SER OG : rot -160:sc= -1.07 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0789 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.655 K(o=0.65,f=-0.78) USER MOD Single : A 102 LYS NZ :NH3+ 168:sc=-0.00722 (180deg=-0.177) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 106 MET CE :methyl -172:sc= -2.66! (180deg=-2.95!) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0729) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 9.609 3.316 -3.529 1.00 0.00 N ATOM 42 CA LEU A 4 10.835 2.648 -3.937 1.00 0.00 C ATOM 43 C LEU A 4 10.519 1.233 -4.421 1.00 0.00 C ATOM 44 O LEU A 4 10.281 0.336 -3.613 1.00 0.00 O ATOM 45 CB LEU A 4 11.811 2.646 -2.756 1.00 0.00 C ATOM 46 CG LEU A 4 13.013 1.723 -2.973 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.760 2.103 -4.242 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.966 1.852 -1.788 1.00 0.00 C ATOM 0 HA LEU A 4 11.302 3.177 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.167 3.662 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.281 2.337 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 4 12.652 0.699 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.610 1.435 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.091 2.017 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.115 3.130 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.824 1.196 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.308 2.884 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.448 1.568 -0.872 1.00 0.00 H new ATOM 60 N THR A 5 10.526 1.039 -5.743 1.00 0.00 N ATOM 61 CA THR A 5 10.307 -0.274 -6.349 1.00 0.00 C ATOM 62 C THR A 5 11.184 -0.531 -7.570 1.00 0.00 C ATOM 63 O THR A 5 11.600 -1.666 -7.795 1.00 0.00 O ATOM 64 CB THR A 5 8.825 -0.497 -6.687 1.00 0.00 C ATOM 65 OG1 THR A 5 8.534 0.082 -7.939 1.00 0.00 O ATOM 66 CG2 THR A 5 7.884 0.093 -5.639 1.00 0.00 C ATOM 0 H THR A 5 10.683 1.786 -6.420 1.00 0.00 H new ATOM 0 HA THR A 5 10.606 -1.001 -5.594 1.00 0.00 H new ATOM 0 HB THR A 5 8.663 -1.575 -6.708 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.589 -0.062 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.851 -0.095 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.078 -0.372 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.050 1.168 -5.565 1.00 0.00 H new ATOM 74 N GLN A 6 11.471 0.505 -8.361 1.00 0.00 N ATOM 75 CA GLN A 6 12.306 0.354 -9.544 1.00 0.00 C ATOM 76 C GLN A 6 13.770 0.385 -9.107 1.00 0.00 C ATOM 77 O GLN A 6 14.277 1.441 -8.734 1.00 0.00 O ATOM 78 CB GLN A 6 12.017 1.485 -10.539 1.00 0.00 C ATOM 79 CG GLN A 6 10.511 1.747 -10.709 1.00 0.00 C ATOM 80 CD GLN A 6 9.755 0.542 -11.262 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.348 -0.407 -11.765 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.431 0.579 -11.173 1.00 0.00 N ATOM 0 H GLN A 6 11.136 1.455 -8.200 1.00 0.00 H new ATOM 0 HA GLN A 6 12.090 -0.593 -10.039 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.506 2.398 -10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.451 1.233 -11.507 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.085 2.025 -9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.369 2.596 -11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.971 1.384 -10.748 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.874 -0.198 -11.529 1.00 0.00 H new ATOM 91 N ILE A 7 14.448 -0.767 -9.146 1.00 0.00 N ATOM 92 CA ILE A 7 15.822 -0.857 -8.669 1.00 0.00 C ATOM 93 C ILE A 7 16.724 -1.527 -9.699 1.00 0.00 C ATOM 94 O ILE A 7 16.373 -2.567 -10.258 1.00 0.00 O ATOM 95 CB ILE A 7 15.852 -1.592 -7.319 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.035 -0.782 -6.298 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.299 -1.751 -6.845 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.082 -1.408 -4.906 1.00 0.00 C ATOM 0 H ILE A 7 14.066 -1.643 -9.502 1.00 0.00 H new ATOM 0 HA ILE A 7 16.212 0.150 -8.522 1.00 0.00 H new ATOM 0 HB ILE A 7 15.417 -2.586 -7.424 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.420 0.237 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.999 -0.716 -6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.313 -2.273 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.862 -2.326 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.754 -0.767 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.492 -0.805 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.672 -2.417 -4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.115 -1.449 -4.560 1.00 0.00 H new ATOM 110 N LEU A 8 17.893 -0.927 -9.946 1.00 0.00 N ATOM 111 CA LEU A 8 18.903 -1.497 -10.822 1.00 0.00 C ATOM 112 C LEU A 8 19.932 -2.261 -9.990 1.00 0.00 C ATOM 113 O LEU A 8 20.145 -1.949 -8.820 1.00 0.00 O ATOM 114 CB LEU A 8 19.580 -0.394 -11.641 1.00 0.00 C ATOM 115 CG LEU A 8 20.266 -0.997 -12.873 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.262 -1.087 -14.023 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.444 -0.136 -13.325 1.00 0.00 C ATOM 0 H LEU A 8 18.159 -0.030 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 8 18.427 -2.190 -11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.841 0.344 -11.952 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.313 0.128 -11.026 1.00 0.00 H new ATOM 0 HG LEU A 8 20.633 -1.987 -12.603 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.749 -1.516 -14.899 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.426 -1.720 -13.727 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.894 -0.090 -14.264 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.911 -0.588 -14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.088 0.863 -13.579 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.175 -0.067 -12.519 1.00 0.00 H new ATOM 129 N ILE A 9 20.574 -3.263 -10.590 1.00 0.00 N ATOM 130 CA ILE A 9 21.611 -4.036 -9.928 1.00 0.00 C ATOM 131 C ILE A 9 22.872 -4.000 -10.787 1.00 0.00 C ATOM 132 O ILE A 9 22.796 -4.092 -12.015 1.00 0.00 O ATOM 133 CB ILE A 9 21.118 -5.474 -9.699 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.776 -5.488 -8.952 1.00 0.00 C ATOM 135 CG2 ILE A 9 22.160 -6.276 -8.916 1.00 0.00 C ATOM 136 CD1 ILE A 9 19.113 -6.862 -9.074 1.00 0.00 C ATOM 0 H ILE A 9 20.386 -3.557 -11.548 1.00 0.00 H new ATOM 0 HA ILE A 9 21.845 -3.610 -8.952 1.00 0.00 H new ATOM 0 HB ILE A 9 20.971 -5.936 -10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.935 -5.246 -7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.117 -4.721 -9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.796 -7.292 -8.762 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.094 -6.306 -9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.333 -5.802 -7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.163 -6.856 -8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.937 -7.089 -10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.767 -7.621 -8.644 1.00 0.00 H new ATOM 148 N VAL A 10 24.036 -3.868 -10.142 1.00 0.00 N ATOM 149 CA VAL A 10 25.317 -3.803 -10.835 1.00 0.00 C ATOM 150 C VAL A 10 26.343 -4.678 -10.131 1.00 0.00 C ATOM 151 O VAL A 10 26.919 -4.275 -9.121 1.00 0.00 O ATOM 152 CB VAL A 10 25.794 -2.352 -10.939 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.004 -2.271 -11.868 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.687 -1.448 -11.478 1.00 0.00 C ATOM 0 H VAL A 10 24.111 -3.804 -9.127 1.00 0.00 H new ATOM 0 HA VAL A 10 25.192 -4.185 -11.848 1.00 0.00 H new ATOM 0 HB VAL A 10 26.067 -2.013 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.340 -1.236 -11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.810 -2.888 -11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.727 -2.631 -12.859 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.053 -0.423 -11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.389 -1.789 -12.469 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.828 -1.486 -10.808 1.00 0.00 H new ATOM 164 N GLU A 11 26.567 -5.879 -10.665 1.00 0.00 N ATOM 165 CA GLU A 11 27.434 -6.874 -10.049 1.00 0.00 C ATOM 166 C GLU A 11 28.076 -7.750 -11.122 1.00 0.00 C ATOM 167 O GLU A 11 27.703 -7.673 -12.291 1.00 0.00 O ATOM 168 CB GLU A 11 26.616 -7.748 -9.092 1.00 0.00 C ATOM 169 CG GLU A 11 25.971 -6.910 -7.983 1.00 0.00 C ATOM 170 CD GLU A 11 25.323 -7.790 -6.922 1.00 0.00 C ATOM 171 OE1 GLU A 11 25.002 -7.236 -5.847 1.00 0.00 O ATOM 172 OE2 GLU A 11 25.155 -9.000 -7.195 1.00 0.00 O ATOM 0 H GLU A 11 26.148 -6.187 -11.542 1.00 0.00 H new ATOM 0 HA GLU A 11 28.220 -6.363 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.841 -8.274 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 11 27.261 -8.507 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.726 -6.276 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.221 -6.248 -8.416 1.00 0.00 H new ATOM 179 N ASP A 12 29.041 -8.583 -10.727 1.00 0.00 N ATOM 180 CA ASP A 12 29.718 -9.479 -11.654 1.00 0.00 C ATOM 181 C ASP A 12 29.602 -10.938 -11.194 1.00 0.00 C ATOM 182 O ASP A 12 29.878 -11.853 -11.966 1.00 0.00 O ATOM 183 CB ASP A 12 31.181 -9.040 -11.786 1.00 0.00 C ATOM 184 CG ASP A 12 31.957 -9.885 -12.798 1.00 0.00 C ATOM 185 OD1 ASP A 12 31.334 -10.322 -13.792 1.00 0.00 O ATOM 186 OD2 ASP A 12 33.170 -10.079 -12.565 1.00 0.00 O ATOM 0 H ASP A 12 29.370 -8.652 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 12 29.242 -9.422 -12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.217 -7.993 -12.088 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.667 -9.108 -10.813 1.00 0.00 H new ATOM 191 N GLU A 13 29.192 -11.170 -9.941 1.00 0.00 N ATOM 192 CA GLU A 13 28.977 -12.526 -9.459 1.00 0.00 C ATOM 193 C GLU A 13 27.599 -13.009 -9.926 1.00 0.00 C ATOM 194 O GLU A 13 26.618 -12.275 -9.786 1.00 0.00 O ATOM 195 CB GLU A 13 29.068 -12.541 -7.927 1.00 0.00 C ATOM 196 CG GLU A 13 28.981 -13.968 -7.367 1.00 0.00 C ATOM 197 CD GLU A 13 30.202 -14.820 -7.722 1.00 0.00 C ATOM 198 OE1 GLU A 13 31.135 -14.274 -8.355 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.182 -16.015 -7.353 1.00 0.00 O ATOM 0 H GLU A 13 29.006 -10.440 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 13 29.739 -13.195 -9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 13 30.007 -12.084 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.263 -11.936 -7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.878 -13.922 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 13 28.083 -14.450 -7.752 1.00 0.00 H new ATOM 206 N PRO A 14 27.498 -14.232 -10.474 1.00 0.00 N ATOM 207 CA PRO A 14 26.237 -14.773 -10.957 1.00 0.00 C ATOM 208 C PRO A 14 25.230 -14.979 -9.831 1.00 0.00 C ATOM 209 O PRO A 14 24.050 -14.682 -9.993 1.00 0.00 O ATOM 210 CB PRO A 14 26.583 -16.116 -11.607 1.00 0.00 C ATOM 211 CG PRO A 14 28.097 -16.083 -11.812 1.00 0.00 C ATOM 212 CD PRO A 14 28.595 -15.144 -10.721 1.00 0.00 C ATOM 0 HA PRO A 14 25.769 -14.080 -11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 14 26.290 -16.950 -10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.060 -16.241 -12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 14 28.535 -17.076 -11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 14 28.358 -15.716 -12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.860 -15.695 -9.818 1.00 0.00 H new ATOM 0 HD3 PRO A 14 29.488 -14.608 -11.041 1.00 0.00 H new ATOM 220 N LEU A 15 25.704 -15.492 -8.693 1.00 0.00 N ATOM 221 CA LEU A 15 24.837 -15.903 -7.595 1.00 0.00 C ATOM 222 C LEU A 15 24.186 -14.710 -6.910 1.00 0.00 C ATOM 223 O LEU A 15 22.985 -14.724 -6.670 1.00 0.00 O ATOM 224 CB LEU A 15 25.659 -16.693 -6.578 1.00 0.00 C ATOM 225 CG LEU A 15 25.743 -18.165 -6.976 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.802 -18.857 -6.125 1.00 0.00 C ATOM 227 CD2 LEU A 15 24.399 -18.847 -6.728 1.00 0.00 C ATOM 0 H LEU A 15 26.698 -15.632 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 15 24.040 -16.523 -8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.662 -16.272 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.207 -16.604 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 15 26.002 -18.233 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.865 -19.908 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.768 -18.379 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 15 26.531 -18.779 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.465 -19.897 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.144 -18.774 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.627 -18.357 -7.322 1.00 0.00 H new ATOM 239 N ILE A 16 24.962 -13.674 -6.588 1.00 0.00 N ATOM 240 CA ILE A 16 24.422 -12.554 -5.829 1.00 0.00 C ATOM 241 C ILE A 16 23.449 -11.763 -6.701 1.00 0.00 C ATOM 242 O ILE A 16 22.527 -11.131 -6.185 1.00 0.00 O ATOM 243 CB ILE A 16 25.571 -11.677 -5.317 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.677 -12.527 -4.669 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.035 -10.649 -4.320 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.163 -13.368 -3.492 1.00 0.00 C ATOM 0 H ILE A 16 25.948 -13.590 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 16 23.870 -12.921 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 16 26.009 -11.156 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.110 -13.187 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.476 -11.872 -4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.856 -10.029 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.293 -10.019 -4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.574 -11.165 -3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.985 -13.948 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.755 -12.710 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.383 -14.045 -3.841 1.00 0.00 H new ATOM 258 N ALA A 17 23.645 -11.797 -8.020 1.00 0.00 N ATOM 259 CA ALA A 17 22.784 -11.079 -8.943 1.00 0.00 C ATOM 260 C ALA A 17 21.421 -11.761 -9.059 1.00 0.00 C ATOM 261 O ALA A 17 20.393 -11.087 -9.036 1.00 0.00 O ATOM 262 CB ALA A 17 23.468 -11.003 -10.308 1.00 0.00 C ATOM 0 H ALA A 17 24.398 -12.319 -8.469 1.00 0.00 H new ATOM 0 HA ALA A 17 22.616 -10.070 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.827 -10.465 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.419 -10.479 -10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.647 -12.011 -10.682 1.00 0.00 H new ATOM 268 N MET A 18 21.398 -13.093 -9.180 1.00 0.00 N ATOM 269 CA MET A 18 20.141 -13.816 -9.335 1.00 0.00 C ATOM 270 C MET A 18 19.371 -13.850 -8.017 1.00 0.00 C ATOM 271 O MET A 18 18.147 -13.964 -8.021 1.00 0.00 O ATOM 272 CB MET A 18 20.412 -15.235 -9.849 1.00 0.00 C ATOM 273 CG MET A 18 21.255 -16.058 -8.868 1.00 0.00 C ATOM 274 SD MET A 18 21.456 -17.796 -9.334 1.00 0.00 S ATOM 275 CE MET A 18 22.457 -17.594 -10.832 1.00 0.00 C ATOM 0 H MET A 18 22.230 -13.683 -9.173 1.00 0.00 H new ATOM 0 HA MET A 18 19.524 -13.294 -10.067 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.464 -15.743 -10.024 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.926 -15.179 -10.809 1.00 0.00 H new ATOM 0 HG2 MET A 18 22.241 -15.601 -8.782 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.794 -16.009 -7.882 1.00 0.00 H new ATOM 0 HE1 MET A 18 22.782 -18.572 -11.187 1.00 0.00 H new ATOM 0 HE2 MET A 18 21.862 -17.107 -11.604 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.330 -16.982 -10.606 1.00 0.00 H new ATOM 285 N MET A 19 20.078 -13.751 -6.888 1.00 0.00 N ATOM 286 CA MET A 19 19.437 -13.708 -5.583 1.00 0.00 C ATOM 287 C MET A 19 18.740 -12.365 -5.372 1.00 0.00 C ATOM 288 O MET A 19 17.709 -12.304 -4.706 1.00 0.00 O ATOM 289 CB MET A 19 20.486 -13.957 -4.493 1.00 0.00 C ATOM 290 CG MET A 19 20.910 -15.428 -4.478 1.00 0.00 C ATOM 291 SD MET A 19 19.598 -16.599 -4.034 1.00 0.00 S ATOM 292 CE MET A 19 19.304 -16.093 -2.322 1.00 0.00 C ATOM 0 H MET A 19 21.096 -13.699 -6.858 1.00 0.00 H new ATOM 0 HA MET A 19 18.678 -14.488 -5.528 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.356 -13.324 -4.667 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.080 -13.680 -3.520 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.292 -15.691 -5.464 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.735 -15.546 -3.775 1.00 0.00 H new ATOM 0 HE1 MET A 19 19.286 -16.974 -1.680 1.00 0.00 H new ATOM 0 HE2 MET A 19 20.102 -15.424 -1.998 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.347 -15.575 -2.255 1.00 0.00 H new ATOM 302 N LEU A 20 19.294 -11.289 -5.938 1.00 0.00 N ATOM 303 CA LEU A 20 18.703 -9.966 -5.812 1.00 0.00 C ATOM 304 C LEU A 20 17.477 -9.830 -6.709 1.00 0.00 C ATOM 305 O LEU A 20 16.555 -9.087 -6.379 1.00 0.00 O ATOM 306 CB LEU A 20 19.747 -8.910 -6.181 1.00 0.00 C ATOM 307 CG LEU A 20 20.746 -8.697 -5.044 1.00 0.00 C ATOM 308 CD1 LEU A 20 21.889 -7.823 -5.552 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.083 -7.986 -3.866 1.00 0.00 C ATOM 0 H LEU A 20 20.153 -11.315 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 20 18.382 -9.819 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.278 -9.219 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.249 -7.968 -6.412 1.00 0.00 H new ATOM 0 HG LEU A 20 21.112 -9.669 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.609 -7.663 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.382 -8.318 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.494 -6.862 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.813 -7.845 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.708 -7.015 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.254 -8.590 -3.497 1.00 0.00 H new ATOM 321 N GLU A 21 17.451 -10.538 -7.841 1.00 0.00 N ATOM 322 CA GLU A 21 16.297 -10.514 -8.727 1.00 0.00 C ATOM 323 C GLU A 21 15.120 -11.247 -8.086 1.00 0.00 C ATOM 324 O GLU A 21 13.964 -10.900 -8.324 1.00 0.00 O ATOM 325 CB GLU A 21 16.663 -11.148 -10.067 1.00 0.00 C ATOM 326 CG GLU A 21 17.670 -10.270 -10.810 1.00 0.00 C ATOM 327 CD GLU A 21 18.175 -10.934 -12.092 1.00 0.00 C ATOM 328 OE1 GLU A 21 17.773 -12.094 -12.350 1.00 0.00 O ATOM 329 OE2 GLU A 21 18.960 -10.272 -12.807 1.00 0.00 O ATOM 0 H GLU A 21 18.216 -11.132 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 21 15.999 -9.480 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.085 -12.140 -9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.766 -11.278 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.206 -9.315 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.515 -10.055 -10.156 1.00 0.00 H new ATOM 336 N ASP A 22 15.415 -12.263 -7.268 1.00 0.00 N ATOM 337 CA ASP A 22 14.383 -13.026 -6.580 1.00 0.00 C ATOM 338 C ASP A 22 13.812 -12.228 -5.407 1.00 0.00 C ATOM 339 O ASP A 22 12.598 -12.219 -5.188 1.00 0.00 O ATOM 340 CB ASP A 22 14.984 -14.354 -6.106 1.00 0.00 C ATOM 341 CG ASP A 22 13.985 -15.206 -5.326 1.00 0.00 C ATOM 342 OD1 ASP A 22 14.454 -16.032 -4.514 1.00 0.00 O ATOM 343 OD2 ASP A 22 12.765 -15.031 -5.549 1.00 0.00 O ATOM 0 H ASP A 22 16.366 -12.572 -7.069 1.00 0.00 H new ATOM 0 HA ASP A 22 13.559 -13.229 -7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.339 -14.916 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.852 -14.152 -5.478 1.00 0.00 H new ATOM 348 N PHE A 23 14.680 -11.553 -4.647 1.00 0.00 N ATOM 349 CA PHE A 23 14.250 -10.789 -3.487 1.00 0.00 C ATOM 350 C PHE A 23 13.435 -9.540 -3.802 1.00 0.00 C ATOM 351 O PHE A 23 12.588 -9.136 -3.002 1.00 0.00 O ATOM 352 CB PHE A 23 15.440 -10.459 -2.587 1.00 0.00 C ATOM 353 CG PHE A 23 15.930 -11.626 -1.752 1.00 0.00 C ATOM 354 CD1 PHE A 23 15.033 -12.356 -0.957 1.00 0.00 C ATOM 355 CD2 PHE A 23 17.288 -11.967 -1.763 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.496 -13.424 -0.178 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.750 -13.034 -0.983 1.00 0.00 C ATOM 358 CZ PHE A 23 16.854 -13.765 -0.190 1.00 0.00 C ATOM 0 H PHE A 23 15.685 -11.524 -4.820 1.00 0.00 H new ATOM 0 HA PHE A 23 13.558 -11.442 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.262 -10.100 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.162 -9.642 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.985 -12.094 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.980 -11.406 -2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.805 -13.985 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.798 -13.294 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.210 -14.589 0.410 1.00 0.00 H new ATOM 368 N LEU A 24 13.673 -8.920 -4.958 1.00 0.00 N ATOM 369 CA LEU A 24 12.926 -7.732 -5.336 1.00 0.00 C ATOM 370 C LEU A 24 11.516 -8.129 -5.766 1.00 0.00 C ATOM 371 O LEU A 24 10.562 -7.415 -5.479 1.00 0.00 O ATOM 372 CB LEU A 24 13.658 -7.010 -6.477 1.00 0.00 C ATOM 373 CG LEU A 24 14.941 -6.339 -5.974 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.732 -5.808 -7.166 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.614 -5.172 -5.045 1.00 0.00 C ATOM 0 H LEU A 24 14.370 -9.221 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 24 12.851 -7.056 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.902 -7.723 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.001 -6.260 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 24 15.525 -7.078 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.646 -5.330 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.988 -6.634 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.128 -5.080 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.540 -4.711 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.020 -4.434 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.049 -5.537 -4.187 1.00 0.00 H new ATOM 387 N GLU A 25 11.381 -9.267 -6.450 1.00 0.00 N ATOM 388 CA GLU A 25 10.093 -9.705 -6.955 1.00 0.00 C ATOM 389 C GLU A 25 9.154 -10.102 -5.812 1.00 0.00 C ATOM 390 O GLU A 25 7.955 -9.842 -5.881 1.00 0.00 O ATOM 391 CB GLU A 25 10.325 -10.885 -7.897 1.00 0.00 C ATOM 392 CG GLU A 25 9.016 -11.525 -8.371 1.00 0.00 C ATOM 393 CD GLU A 25 8.198 -10.599 -9.274 1.00 0.00 C ATOM 394 OE1 GLU A 25 7.076 -11.015 -9.647 1.00 0.00 O ATOM 395 OE2 GLU A 25 8.688 -9.492 -9.587 1.00 0.00 O ATOM 0 H GLU A 25 12.154 -9.898 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 25 9.614 -8.886 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.895 -10.548 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.930 -11.637 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.241 -12.445 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.417 -11.802 -7.504 1.00 0.00 H new ATOM 402 N VAL A 26 9.690 -10.733 -4.760 1.00 0.00 N ATOM 403 CA VAL A 26 8.874 -11.175 -3.635 1.00 0.00 C ATOM 404 C VAL A 26 8.482 -10.016 -2.720 1.00 0.00 C ATOM 405 O VAL A 26 7.486 -10.096 -2.004 1.00 0.00 O ATOM 406 CB VAL A 26 9.599 -12.300 -2.878 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.754 -11.744 -2.049 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.631 -13.028 -1.948 1.00 0.00 C ATOM 0 H VAL A 26 10.683 -10.946 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 26 7.937 -11.574 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 26 9.991 -12.996 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.250 -12.560 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.468 -11.248 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.369 -11.026 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.161 -13.821 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.220 -12.323 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.820 -13.461 -2.534 1.00 0.00 H new ATOM 418 N LEU A 27 9.266 -8.932 -2.747 1.00 0.00 N ATOM 419 CA LEU A 27 8.943 -7.708 -2.020 1.00 0.00 C ATOM 420 C LEU A 27 8.019 -6.817 -2.852 1.00 0.00 C ATOM 421 O LEU A 27 7.844 -5.642 -2.530 1.00 0.00 O ATOM 422 CB LEU A 27 10.231 -6.964 -1.655 1.00 0.00 C ATOM 423 CG LEU A 27 11.045 -7.728 -0.608 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.386 -7.025 -0.410 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.311 -7.768 0.731 1.00 0.00 C ATOM 0 H LEU A 27 10.139 -8.883 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 27 8.419 -7.971 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.834 -6.819 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.984 -5.973 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 27 11.192 -8.749 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.972 -7.563 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.929 -7.005 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.215 -6.004 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.910 -8.316 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.149 -6.751 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.349 -8.265 0.604 1.00 0.00 H new ATOM 437 N ASP A 28 7.428 -7.369 -3.918 1.00 0.00 N ATOM 438 CA ASP A 28 6.579 -6.615 -4.836 1.00 0.00 C ATOM 439 C ASP A 28 7.291 -5.435 -5.501 1.00 0.00 C ATOM 440 O ASP A 28 6.648 -4.484 -5.947 1.00 0.00 O ATOM 441 CB ASP A 28 5.250 -6.230 -4.174 1.00 0.00 C ATOM 442 CG ASP A 28 4.344 -7.439 -3.933 1.00 0.00 C ATOM 443 OD1 ASP A 28 3.270 -7.232 -3.326 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.725 -8.558 -4.352 1.00 0.00 O ATOM 0 H ASP A 28 7.528 -8.354 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 28 6.341 -7.284 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.451 -5.735 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.729 -5.509 -4.804 1.00 0.00 H new ATOM 449 N LYS A 29 8.625 -5.494 -5.568 1.00 0.00 N ATOM 450 CA LYS A 29 9.434 -4.486 -6.236 1.00 0.00 C ATOM 451 C LYS A 29 9.755 -4.956 -7.651 1.00 0.00 C ATOM 452 O LYS A 29 9.252 -5.990 -8.093 1.00 0.00 O ATOM 453 CB LYS A 29 10.711 -4.209 -5.431 1.00 0.00 C ATOM 454 CG LYS A 29 10.359 -3.769 -4.011 1.00 0.00 C ATOM 455 CD LYS A 29 11.614 -3.272 -3.289 1.00 0.00 C ATOM 456 CE LYS A 29 11.284 -2.886 -1.844 1.00 0.00 C ATOM 457 NZ LYS A 29 10.264 -1.821 -1.787 1.00 0.00 N ATOM 0 H LYS A 29 9.171 -6.250 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 29 8.879 -3.550 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.330 -5.106 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.299 -3.434 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.610 -2.978 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.920 -4.602 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.378 -4.049 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.027 -2.412 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.926 -3.763 -1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.190 -2.550 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.304 -1.351 -0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.448 -1.124 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.320 -2.236 -1.924 1.00 0.00 H new ATOM 471 N THR A 30 10.591 -4.199 -8.364 1.00 0.00 N ATOM 472 CA THR A 30 10.885 -4.469 -9.760 1.00 0.00 C ATOM 473 C THR A 30 12.378 -4.419 -10.087 1.00 0.00 C ATOM 474 O THR A 30 12.984 -3.349 -10.025 1.00 0.00 O ATOM 475 CB THR A 30 10.094 -3.512 -10.660 1.00 0.00 C ATOM 476 OG1 THR A 30 8.780 -3.349 -10.168 1.00 0.00 O ATOM 477 CG2 THR A 30 10.051 -4.026 -12.096 1.00 0.00 C ATOM 0 H THR A 30 11.078 -3.386 -7.986 1.00 0.00 H new ATOM 0 HA THR A 30 10.571 -5.494 -9.956 1.00 0.00 H new ATOM 0 HB THR A 30 10.599 -2.546 -10.653 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.286 -2.735 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.484 -3.330 -12.715 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.067 -4.111 -12.483 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.571 -5.004 -12.118 1.00 0.00 H new ATOM 485 N PRO A 31 12.981 -5.565 -10.441 1.00 0.00 N ATOM 486 CA PRO A 31 14.330 -5.620 -10.970 1.00 0.00 C ATOM 487 C PRO A 31 14.302 -5.153 -12.426 1.00 0.00 C ATOM 488 O PRO A 31 14.205 -5.966 -13.343 1.00 0.00 O ATOM 489 CB PRO A 31 14.745 -7.084 -10.851 1.00 0.00 C ATOM 490 CG PRO A 31 13.423 -7.850 -10.946 1.00 0.00 C ATOM 491 CD PRO A 31 12.390 -6.887 -10.358 1.00 0.00 C ATOM 0 HA PRO A 31 15.034 -4.979 -10.440 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.431 -7.371 -11.648 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.253 -7.280 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.185 -8.108 -11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.462 -8.784 -10.385 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.454 -6.931 -10.915 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.159 -7.147 -9.325 1.00 0.00 H new ATOM 499 N VAL A 32 14.385 -3.838 -12.642 1.00 0.00 N ATOM 500 CA VAL A 32 14.241 -3.258 -13.975 1.00 0.00 C ATOM 501 C VAL A 32 15.422 -3.581 -14.888 1.00 0.00 C ATOM 502 O VAL A 32 15.374 -3.275 -16.080 1.00 0.00 O ATOM 503 CB VAL A 32 14.012 -1.743 -13.876 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.874 -1.445 -12.905 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.267 -1.018 -13.390 1.00 0.00 C ATOM 0 H VAL A 32 14.552 -3.153 -11.905 1.00 0.00 H new ATOM 0 HA VAL A 32 13.365 -3.716 -14.434 1.00 0.00 H new ATOM 0 HB VAL A 32 13.760 -1.387 -14.875 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.721 -0.368 -12.843 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.960 -1.922 -13.259 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.127 -1.833 -11.918 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.069 0.052 -13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.543 -1.390 -12.404 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.085 -1.198 -14.088 1.00 0.00 H new ATOM 515 N GLY A 33 16.482 -4.192 -14.352 1.00 0.00 N ATOM 516 CA GLY A 33 17.608 -4.612 -15.170 1.00 0.00 C ATOM 517 C GLY A 33 18.857 -4.863 -14.339 1.00 0.00 C ATOM 518 O GLY A 33 18.929 -4.478 -13.172 1.00 0.00 O ATOM 0 H GLY A 33 16.578 -4.403 -13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.344 -5.521 -15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.818 -3.847 -15.917 1.00 0.00 H new ATOM 522 N THR A 34 19.843 -5.511 -14.962 1.00 0.00 N ATOM 523 CA THR A 34 21.126 -5.815 -14.350 1.00 0.00 C ATOM 524 C THR A 34 22.258 -5.669 -15.351 1.00 0.00 C ATOM 525 O THR A 34 22.122 -6.079 -16.503 1.00 0.00 O ATOM 526 CB THR A 34 21.109 -7.215 -13.729 1.00 0.00 C ATOM 527 OG1 THR A 34 19.955 -7.390 -12.939 1.00 0.00 O ATOM 528 CG2 THR A 34 22.353 -7.446 -12.870 1.00 0.00 C ATOM 0 H THR A 34 19.765 -5.843 -15.923 1.00 0.00 H new ATOM 0 HA THR A 34 21.301 -5.094 -13.551 1.00 0.00 H new ATOM 0 HB THR A 34 21.102 -7.940 -14.543 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.695 -8.335 -12.945 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.318 -8.447 -12.440 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.245 -7.348 -13.488 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.384 -6.708 -12.069 1.00 0.00 H new ATOM 536 N VAL A 35 23.376 -5.087 -14.911 1.00 0.00 N ATOM 537 CA VAL A 35 24.534 -4.864 -15.768 1.00 0.00 C ATOM 538 C VAL A 35 25.833 -5.209 -15.037 1.00 0.00 C ATOM 539 O VAL A 35 25.835 -5.369 -13.818 1.00 0.00 O ATOM 540 CB VAL A 35 24.539 -3.426 -16.311 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.161 -3.011 -16.839 1.00 0.00 C ATOM 542 CG2 VAL A 35 24.928 -2.448 -15.210 1.00 0.00 C ATOM 0 H VAL A 35 23.500 -4.759 -13.953 1.00 0.00 H new ATOM 0 HA VAL A 35 24.464 -5.534 -16.625 1.00 0.00 H new ATOM 0 HB VAL A 35 25.261 -3.401 -17.127 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.208 -1.988 -17.213 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.864 -3.680 -17.647 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.430 -3.069 -16.033 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.928 -1.433 -15.608 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.211 -2.517 -14.392 1.00 0.00 H new ATOM 0 HG23 VAL A 35 25.924 -2.693 -14.841 1.00 0.00 H new ATOM 552 N ASP A 36 26.935 -5.321 -15.783 1.00 0.00 N ATOM 553 CA ASP A 36 28.227 -5.710 -15.224 1.00 0.00 C ATOM 554 C ASP A 36 29.364 -4.741 -15.561 1.00 0.00 C ATOM 555 O ASP A 36 30.515 -4.986 -15.205 1.00 0.00 O ATOM 556 CB ASP A 36 28.570 -7.158 -15.596 1.00 0.00 C ATOM 557 CG ASP A 36 28.345 -7.471 -17.075 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.115 -6.522 -17.860 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.410 -8.677 -17.412 1.00 0.00 O ATOM 0 H ASP A 36 26.954 -5.145 -16.787 1.00 0.00 H new ATOM 0 HA ASP A 36 28.123 -5.652 -14.141 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.613 -7.353 -15.345 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.965 -7.834 -14.992 1.00 0.00 H new ATOM 564 N THR A 37 29.047 -3.638 -16.247 1.00 0.00 N ATOM 565 CA THR A 37 30.015 -2.603 -16.586 1.00 0.00 C ATOM 566 C THR A 37 29.477 -1.200 -16.338 1.00 0.00 C ATOM 567 O THR A 37 28.263 -0.997 -16.306 1.00 0.00 O ATOM 568 CB THR A 37 30.549 -2.752 -18.014 1.00 0.00 C ATOM 569 OG1 THR A 37 29.651 -2.142 -18.917 1.00 0.00 O ATOM 570 CG2 THR A 37 30.742 -4.219 -18.411 1.00 0.00 C ATOM 0 H THR A 37 28.104 -3.442 -16.582 1.00 0.00 H new ATOM 0 HA THR A 37 30.858 -2.746 -15.910 1.00 0.00 H new ATOM 0 HB THR A 37 31.524 -2.266 -18.052 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.992 -2.235 -19.831 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.122 -4.273 -19.431 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.455 -4.689 -17.733 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.787 -4.741 -18.351 1.00 0.00 H new ATOM 578 N VAL A 38 30.375 -0.227 -16.161 1.00 0.00 N ATOM 579 CA VAL A 38 29.948 1.139 -15.885 1.00 0.00 C ATOM 580 C VAL A 38 29.316 1.815 -17.092 1.00 0.00 C ATOM 581 O VAL A 38 28.511 2.727 -16.937 1.00 0.00 O ATOM 582 CB VAL A 38 31.079 1.982 -15.276 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.039 1.118 -14.460 1.00 0.00 C ATOM 584 CG2 VAL A 38 31.882 2.730 -16.338 1.00 0.00 C ATOM 0 H VAL A 38 31.385 -0.360 -16.204 1.00 0.00 H new ATOM 0 HA VAL A 38 29.162 1.067 -15.133 1.00 0.00 H new ATOM 0 HB VAL A 38 30.592 2.709 -14.626 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.827 1.745 -14.043 1.00 0.00 H new ATOM 0 HG12 VAL A 38 31.494 0.634 -13.650 1.00 0.00 H new ATOM 0 HG13 VAL A 38 32.482 0.358 -15.104 1.00 0.00 H new ATOM 0 HG21 VAL A 38 32.669 3.311 -15.857 1.00 0.00 H new ATOM 0 HG22 VAL A 38 32.329 2.014 -17.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 31.222 3.400 -16.889 1.00 0.00 H new ATOM 594 N ALA A 39 29.676 1.371 -18.295 1.00 0.00 N ATOM 595 CA ALA A 39 29.116 1.922 -19.516 1.00 0.00 C ATOM 596 C ALA A 39 27.642 1.539 -19.622 1.00 0.00 C ATOM 597 O ALA A 39 26.837 2.313 -20.139 1.00 0.00 O ATOM 598 CB ALA A 39 29.897 1.386 -20.715 1.00 0.00 C ATOM 0 H ALA A 39 30.357 0.627 -18.445 1.00 0.00 H new ATOM 0 HA ALA A 39 29.192 3.009 -19.501 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.480 1.797 -21.634 1.00 0.00 H new ATOM 0 HB2 ALA A 39 30.943 1.679 -20.628 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.826 0.299 -20.739 1.00 0.00 H new ATOM 604 N GLY A 40 27.287 0.348 -19.130 1.00 0.00 N ATOM 605 CA GLY A 40 25.910 -0.113 -19.132 1.00 0.00 C ATOM 606 C GLY A 40 25.154 0.429 -17.925 1.00 0.00 C ATOM 607 O GLY A 40 23.950 0.662 -18.005 1.00 0.00 O ATOM 0 H GLY A 40 27.947 -0.314 -18.723 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.416 0.207 -20.049 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.887 -1.203 -19.121 1.00 0.00 H new ATOM 611 N ALA A 41 25.856 0.636 -16.808 1.00 0.00 N ATOM 612 CA ALA A 41 25.239 1.128 -15.586 1.00 0.00 C ATOM 613 C ALA A 41 24.909 2.612 -15.703 1.00 0.00 C ATOM 614 O ALA A 41 23.885 3.061 -15.187 1.00 0.00 O ATOM 615 CB ALA A 41 26.193 0.873 -14.425 1.00 0.00 C ATOM 0 H ALA A 41 26.859 0.467 -16.731 1.00 0.00 H new ATOM 0 HA ALA A 41 24.301 0.602 -15.411 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.746 1.236 -13.500 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.385 -0.197 -14.340 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.132 1.397 -14.604 1.00 0.00 H new ATOM 621 N LEU A 42 25.768 3.380 -16.381 1.00 0.00 N ATOM 622 CA LEU A 42 25.503 4.787 -16.621 1.00 0.00 C ATOM 623 C LEU A 42 24.391 4.928 -17.657 1.00 0.00 C ATOM 624 O LEU A 42 23.562 5.827 -17.549 1.00 0.00 O ATOM 625 CB LEU A 42 26.779 5.475 -17.116 1.00 0.00 C ATOM 626 CG LEU A 42 27.806 5.639 -15.990 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.136 6.092 -16.587 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.344 6.691 -14.981 1.00 0.00 C ATOM 0 H LEU A 42 26.649 3.044 -16.770 1.00 0.00 H new ATOM 0 HA LEU A 42 25.185 5.262 -15.693 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.217 4.891 -17.926 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.529 6.453 -17.527 1.00 0.00 H new ATOM 0 HG LEU A 42 27.916 4.681 -15.482 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.871 6.210 -15.791 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.489 5.345 -17.298 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.999 7.044 -17.099 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.089 6.790 -14.191 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.221 7.649 -15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.393 6.385 -14.546 1.00 0.00 H new ATOM 640 N ALA A 43 24.361 4.045 -18.657 1.00 0.00 N ATOM 641 CA ALA A 43 23.331 4.088 -19.680 1.00 0.00 C ATOM 642 C ALA A 43 21.965 3.745 -19.083 1.00 0.00 C ATOM 643 O ALA A 43 20.934 4.126 -19.641 1.00 0.00 O ATOM 644 CB ALA A 43 23.691 3.105 -20.794 1.00 0.00 C ATOM 0 H ALA A 43 25.041 3.294 -18.775 1.00 0.00 H new ATOM 0 HA ALA A 43 23.273 5.096 -20.091 1.00 0.00 H new ATOM 0 HB1 ALA A 43 22.922 3.132 -21.566 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.651 3.383 -21.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.757 2.098 -20.383 1.00 0.00 H new ATOM 650 N ARG A 44 21.952 3.035 -17.951 1.00 0.00 N ATOM 651 CA ARG A 44 20.719 2.658 -17.279 1.00 0.00 C ATOM 652 C ARG A 44 20.232 3.743 -16.324 1.00 0.00 C ATOM 653 O ARG A 44 19.059 4.103 -16.361 1.00 0.00 O ATOM 654 CB ARG A 44 20.929 1.336 -16.531 1.00 0.00 C ATOM 655 CG ARG A 44 20.816 0.142 -17.481 1.00 0.00 C ATOM 656 CD ARG A 44 19.395 0.036 -18.035 1.00 0.00 C ATOM 657 NE ARG A 44 19.175 -1.263 -18.680 1.00 0.00 N ATOM 658 CZ ARG A 44 18.143 -2.066 -18.403 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.231 -1.719 -17.499 1.00 0.00 N ATOM 660 NH2 ARG A 44 18.025 -3.231 -19.034 1.00 0.00 N ATOM 0 H ARG A 44 22.797 2.709 -17.481 1.00 0.00 H new ATOM 0 HA ARG A 44 19.945 2.532 -18.036 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.910 1.335 -16.056 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.190 1.243 -15.736 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.526 0.253 -18.301 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.078 -0.776 -16.955 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.676 0.171 -17.227 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.221 0.837 -18.754 1.00 0.00 H new ATOM 0 HE ARG A 44 19.849 -1.571 -19.381 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.314 -0.830 -17.007 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.449 -2.342 -17.298 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.721 -3.509 -19.726 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.239 -3.847 -18.825 1.00 0.00 H new ATOM 674 N VAL A 45 21.115 4.269 -15.467 1.00 0.00 N ATOM 675 CA VAL A 45 20.693 5.245 -14.467 1.00 0.00 C ATOM 676 C VAL A 45 20.468 6.638 -15.056 1.00 0.00 C ATOM 677 O VAL A 45 19.677 7.413 -14.519 1.00 0.00 O ATOM 678 CB VAL A 45 21.661 5.263 -13.280 1.00 0.00 C ATOM 679 CG1 VAL A 45 22.939 6.042 -13.593 1.00 0.00 C ATOM 680 CG2 VAL A 45 20.978 5.918 -12.081 1.00 0.00 C ATOM 0 H VAL A 45 22.108 4.038 -15.448 1.00 0.00 H new ATOM 0 HA VAL A 45 19.719 4.925 -14.095 1.00 0.00 H new ATOM 0 HB VAL A 45 21.932 4.230 -13.063 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.596 6.028 -12.723 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.448 5.581 -14.439 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.685 7.073 -13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.664 5.932 -11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.695 6.939 -12.336 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.086 5.350 -11.815 1.00 0.00 H new ATOM 690 N GLU A 46 21.152 6.967 -16.156 1.00 0.00 N ATOM 691 CA GLU A 46 20.968 8.258 -16.803 1.00 0.00 C ATOM 692 C GLU A 46 19.665 8.290 -17.604 1.00 0.00 C ATOM 693 O GLU A 46 19.203 9.363 -17.988 1.00 0.00 O ATOM 694 CB GLU A 46 22.167 8.573 -17.701 1.00 0.00 C ATOM 695 CG GLU A 46 23.446 8.758 -16.877 1.00 0.00 C ATOM 696 CD GLU A 46 23.399 10.006 -15.992 1.00 0.00 C ATOM 697 OE1 GLU A 46 22.469 10.822 -16.182 1.00 0.00 O ATOM 698 OE2 GLU A 46 24.298 10.129 -15.133 1.00 0.00 O ATOM 0 H GLU A 46 21.832 6.358 -16.610 1.00 0.00 H new ATOM 0 HA GLU A 46 20.901 9.024 -16.030 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.308 7.765 -18.419 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.967 9.478 -18.274 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.601 7.879 -16.252 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.301 8.826 -17.550 1.00 0.00 H new ATOM 705 N ASP A 47 19.070 7.120 -17.855 1.00 0.00 N ATOM 706 CA ASP A 47 17.789 7.034 -18.541 1.00 0.00 C ATOM 707 C ASP A 47 16.681 7.442 -17.564 1.00 0.00 C ATOM 708 O ASP A 47 15.575 7.778 -17.981 1.00 0.00 O ATOM 709 CB ASP A 47 17.586 5.590 -19.012 1.00 0.00 C ATOM 710 CG ASP A 47 16.392 5.456 -19.953 1.00 0.00 C ATOM 711 OD1 ASP A 47 15.883 4.319 -20.071 1.00 0.00 O ATOM 712 OD2 ASP A 47 16.000 6.483 -20.551 1.00 0.00 O ATOM 0 H ASP A 47 19.463 6.217 -17.589 1.00 0.00 H new ATOM 0 HA ASP A 47 17.763 7.699 -19.404 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.487 5.244 -19.519 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.439 4.944 -18.146 1.00 0.00 H new ATOM 717 N GLY A 48 16.973 7.408 -16.259 1.00 0.00 N ATOM 718 CA GLY A 48 16.027 7.807 -15.228 1.00 0.00 C ATOM 719 C GLY A 48 14.913 6.775 -15.060 1.00 0.00 C ATOM 720 O GLY A 48 14.984 5.673 -15.601 1.00 0.00 O ATOM 0 H GLY A 48 17.875 7.102 -15.894 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.552 7.935 -14.281 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.593 8.773 -15.485 1.00 0.00 H new ATOM 724 N GLY A 49 13.879 7.143 -14.297 1.00 0.00 N ATOM 725 CA GLY A 49 12.749 6.264 -14.023 1.00 0.00 C ATOM 726 C GLY A 49 13.099 5.216 -12.971 1.00 0.00 C ATOM 727 O GLY A 49 12.252 4.403 -12.603 1.00 0.00 O ATOM 0 H GLY A 49 13.806 8.059 -13.854 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.901 6.856 -13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.440 5.768 -14.943 1.00 0.00 H new ATOM 731 N ILE A 50 14.344 5.232 -12.480 1.00 0.00 N ATOM 732 CA ILE A 50 14.815 4.290 -11.474 1.00 0.00 C ATOM 733 C ILE A 50 14.807 4.959 -10.101 1.00 0.00 C ATOM 734 O ILE A 50 15.129 6.142 -9.983 1.00 0.00 O ATOM 735 CB ILE A 50 16.210 3.790 -11.863 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.124 3.023 -13.188 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.787 2.892 -10.766 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.509 2.847 -13.807 1.00 0.00 C ATOM 0 H ILE A 50 15.052 5.905 -12.775 1.00 0.00 H new ATOM 0 HA ILE A 50 14.152 3.426 -11.422 1.00 0.00 H new ATOM 0 HB ILE A 50 16.874 4.646 -11.983 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.670 2.047 -13.019 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.477 3.559 -13.882 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.778 2.547 -11.062 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.861 3.456 -9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.133 2.032 -10.618 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.421 2.300 -14.746 1.00 0.00 H new ATOM 0 HD12 ILE A 50 17.950 3.826 -13.997 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.146 2.289 -13.121 1.00 0.00 H new ATOM 750 N ASP A 51 14.436 4.204 -9.066 1.00 0.00 N ATOM 751 CA ASP A 51 14.299 4.742 -7.721 1.00 0.00 C ATOM 752 C ASP A 51 15.595 4.592 -6.924 1.00 0.00 C ATOM 753 O ASP A 51 15.911 5.452 -6.105 1.00 0.00 O ATOM 754 CB ASP A 51 13.161 4.014 -7.000 1.00 0.00 C ATOM 755 CG ASP A 51 11.832 4.121 -7.742 1.00 0.00 C ATOM 756 OD1 ASP A 51 11.701 5.041 -8.578 1.00 0.00 O ATOM 757 OD2 ASP A 51 10.959 3.269 -7.460 1.00 0.00 O ATOM 0 H ASP A 51 14.224 3.209 -9.140 1.00 0.00 H new ATOM 0 HA ASP A 51 14.075 5.806 -7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.424 2.963 -6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.048 4.428 -5.998 1.00 0.00 H new ATOM 762 N ALA A 52 16.341 3.507 -7.157 1.00 0.00 N ATOM 763 CA ALA A 52 17.583 3.232 -6.446 1.00 0.00 C ATOM 764 C ALA A 52 18.432 2.233 -7.237 1.00 0.00 C ATOM 765 O ALA A 52 17.977 1.694 -8.245 1.00 0.00 O ATOM 766 CB ALA A 52 17.254 2.664 -5.061 1.00 0.00 C ATOM 0 H ALA A 52 16.096 2.796 -7.846 1.00 0.00 H new ATOM 0 HA ALA A 52 18.150 4.156 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.179 2.456 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.664 3.390 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.684 1.742 -5.172 1.00 0.00 H new ATOM 772 N ALA A 53 19.665 1.984 -6.787 1.00 0.00 N ATOM 773 CA ALA A 53 20.545 1.038 -7.463 1.00 0.00 C ATOM 774 C ALA A 53 21.469 0.320 -6.475 1.00 0.00 C ATOM 775 O ALA A 53 21.578 0.715 -5.315 1.00 0.00 O ATOM 776 CB ALA A 53 21.355 1.777 -8.528 1.00 0.00 C ATOM 0 H ALA A 53 20.071 2.424 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 53 19.933 0.272 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 53 22.015 1.074 -9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.677 2.228 -9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.952 2.557 -8.055 1.00 0.00 H new ATOM 782 N ILE A 54 22.134 -0.739 -6.946 1.00 0.00 N ATOM 783 CA ILE A 54 23.067 -1.523 -6.145 1.00 0.00 C ATOM 784 C ILE A 54 24.372 -1.703 -6.922 1.00 0.00 C ATOM 785 O ILE A 54 24.339 -1.850 -8.141 1.00 0.00 O ATOM 786 CB ILE A 54 22.445 -2.873 -5.763 1.00 0.00 C ATOM 787 CG1 ILE A 54 21.023 -2.668 -5.214 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.331 -3.570 -4.724 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.392 -3.989 -4.771 1.00 0.00 C ATOM 0 H ILE A 54 22.036 -1.076 -7.904 1.00 0.00 H new ATOM 0 HA ILE A 54 23.287 -0.995 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 54 22.379 -3.503 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.054 -1.979 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.400 -2.206 -5.980 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.889 -4.529 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.324 -3.734 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.412 -2.944 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.388 -3.803 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.337 -4.669 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.001 -4.438 -3.986 1.00 0.00 H new ATOM 801 N LEU A 55 25.520 -1.685 -6.230 1.00 0.00 N ATOM 802 CA LEU A 55 26.823 -1.671 -6.884 1.00 0.00 C ATOM 803 C LEU A 55 27.848 -2.537 -6.152 1.00 0.00 C ATOM 804 O LEU A 55 28.059 -2.378 -4.952 1.00 0.00 O ATOM 805 CB LEU A 55 27.305 -0.218 -6.951 1.00 0.00 C ATOM 806 CG LEU A 55 28.669 -0.092 -7.639 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.585 -0.508 -9.107 1.00 0.00 C ATOM 808 CD2 LEU A 55 29.118 1.364 -7.579 1.00 0.00 C ATOM 0 H LEU A 55 25.565 -1.680 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 55 26.720 -2.092 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.571 0.382 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.370 0.188 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 55 29.376 -0.744 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.567 -0.409 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.256 -1.545 -9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.872 0.133 -9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.088 1.466 -8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.388 1.991 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.200 1.677 -6.538 1.00 0.00 H new ATOM 820 N ASP A 56 28.493 -3.452 -6.878 1.00 0.00 N ATOM 821 CA ASP A 56 29.590 -4.255 -6.349 1.00 0.00 C ATOM 822 C ASP A 56 30.859 -3.396 -6.365 1.00 0.00 C ATOM 823 O ASP A 56 31.022 -2.552 -7.246 1.00 0.00 O ATOM 824 CB ASP A 56 29.748 -5.499 -7.234 1.00 0.00 C ATOM 825 CG ASP A 56 30.694 -6.545 -6.644 1.00 0.00 C ATOM 826 OD1 ASP A 56 31.303 -6.265 -5.589 1.00 0.00 O ATOM 827 OD2 ASP A 56 30.796 -7.626 -7.262 1.00 0.00 O ATOM 0 H ASP A 56 28.267 -3.655 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 56 29.397 -4.579 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.769 -5.952 -7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 56 30.119 -5.195 -8.213 1.00 0.00 H new ATOM 832 N VAL A 57 31.757 -3.606 -5.398 1.00 0.00 N ATOM 833 CA VAL A 57 32.986 -2.825 -5.300 1.00 0.00 C ATOM 834 C VAL A 57 33.824 -3.010 -6.563 1.00 0.00 C ATOM 835 O VAL A 57 34.548 -2.100 -6.962 1.00 0.00 O ATOM 836 CB VAL A 57 33.772 -3.267 -4.060 1.00 0.00 C ATOM 837 CG1 VAL A 57 35.096 -2.505 -3.960 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.961 -3.003 -2.795 1.00 0.00 C ATOM 0 H VAL A 57 31.652 -4.314 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 57 32.740 -1.767 -5.204 1.00 0.00 H new ATOM 0 HB VAL A 57 33.972 -4.334 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.639 -2.833 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.697 -2.702 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.896 -1.436 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.532 -3.322 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.745 -1.937 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.025 -3.561 -2.840 1.00 0.00 H new ATOM 848 N ASN A 58 33.721 -4.187 -7.187 1.00 0.00 N ATOM 849 CA ASN A 58 34.440 -4.497 -8.413 1.00 0.00 C ATOM 850 C ASN A 58 33.478 -5.062 -9.453 1.00 0.00 C ATOM 851 O ASN A 58 32.624 -5.889 -9.135 1.00 0.00 O ATOM 852 CB ASN A 58 35.575 -5.484 -8.119 1.00 0.00 C ATOM 853 CG ASN A 58 36.638 -4.888 -7.203 1.00 0.00 C ATOM 854 OD1 ASN A 58 36.993 -3.719 -7.324 1.00 0.00 O ATOM 855 ND2 ASN A 58 37.157 -5.687 -6.280 1.00 0.00 N ATOM 0 H ASN A 58 33.133 -4.950 -6.850 1.00 0.00 H new ATOM 0 HA ASN A 58 34.878 -3.584 -8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 58 35.163 -6.381 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.038 -5.792 -9.057 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.873 -5.335 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.840 -6.654 -6.206 1.00 0.00 H new ATOM 862 N LEU A 59 33.624 -4.608 -10.698 1.00 0.00 N ATOM 863 CA LEU A 59 32.788 -5.024 -11.812 1.00 0.00 C ATOM 864 C LEU A 59 33.584 -5.976 -12.705 1.00 0.00 C ATOM 865 O LEU A 59 34.615 -6.502 -12.287 1.00 0.00 O ATOM 866 CB LEU A 59 32.329 -3.774 -12.573 1.00 0.00 C ATOM 867 CG LEU A 59 30.968 -3.287 -12.063 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.981 -3.051 -10.555 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.624 -1.974 -12.755 1.00 0.00 C ATOM 0 H LEU A 59 34.340 -3.930 -10.960 1.00 0.00 H new ATOM 0 HA LEU A 59 31.903 -5.556 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.069 -2.982 -12.458 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.264 -3.996 -13.638 1.00 0.00 H new ATOM 0 HG LEU A 59 30.229 -4.057 -12.285 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.999 -2.707 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.226 -3.982 -10.043 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.728 -2.296 -10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.657 -1.618 -12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.390 -1.232 -12.529 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.579 -2.132 -13.833 1.00 0.00 H new ATOM 881 N ARG A 60 33.102 -6.201 -13.933 1.00 0.00 N ATOM 882 CA ARG A 60 33.740 -7.112 -14.872 1.00 0.00 C ATOM 883 C ARG A 60 35.231 -6.803 -14.982 1.00 0.00 C ATOM 884 O ARG A 60 35.628 -5.638 -15.008 1.00 0.00 O ATOM 885 CB ARG A 60 33.048 -6.976 -16.232 1.00 0.00 C ATOM 886 CG ARG A 60 33.359 -8.167 -17.137 1.00 0.00 C ATOM 887 CD ARG A 60 32.586 -9.388 -16.642 1.00 0.00 C ATOM 888 NE ARG A 60 32.853 -10.566 -17.473 1.00 0.00 N ATOM 889 CZ ARG A 60 32.635 -11.820 -17.061 1.00 0.00 C ATOM 890 NH1 ARG A 60 32.130 -12.063 -15.855 1.00 0.00 N ATOM 891 NH2 ARG A 60 32.926 -12.838 -17.864 1.00 0.00 N ATOM 0 H ARG A 60 32.260 -5.754 -14.297 1.00 0.00 H new ATOM 0 HA ARG A 60 33.643 -8.139 -14.520 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.970 -6.898 -16.088 1.00 0.00 H new ATOM 0 HB3 ARG A 60 33.372 -6.055 -16.716 1.00 0.00 H new ATOM 0 HG2 ARG A 60 33.082 -7.939 -18.166 1.00 0.00 H new ATOM 0 HG3 ARG A 60 34.429 -8.373 -17.133 1.00 0.00 H new ATOM 0 HD2 ARG A 60 32.862 -9.600 -15.609 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.518 -9.171 -16.649 1.00 0.00 H new ATOM 0 HE ARG A 60 33.224 -10.422 -18.412 1.00 0.00 H new ATOM 0 HH11 ARG A 60 31.904 -11.288 -15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 60 31.969 -13.024 -15.554 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.314 -12.662 -18.791 1.00 0.00 H new ATOM 0 HH22 ARG A 60 32.761 -13.796 -17.554 1.00 0.00 H new ATOM 905 N GLY A 61 36.054 -7.849 -15.049 1.00 0.00 N ATOM 906 CA GLY A 61 37.503 -7.699 -15.131 1.00 0.00 C ATOM 907 C GLY A 61 38.124 -7.427 -13.761 1.00 0.00 C ATOM 908 O GLY A 61 39.341 -7.269 -13.662 1.00 0.00 O ATOM 0 H GLY A 61 35.736 -8.818 -15.048 1.00 0.00 H new ATOM 0 HA2 GLY A 61 37.939 -8.604 -15.554 1.00 0.00 H new ATOM 0 HA3 GLY A 61 37.746 -6.881 -15.809 1.00 0.00 H new ATOM 912 N GLY A 62 37.301 -7.372 -12.708 1.00 0.00 N ATOM 913 CA GLY A 62 37.777 -7.148 -11.347 1.00 0.00 C ATOM 914 C GLY A 62 38.125 -5.677 -11.096 1.00 0.00 C ATOM 915 O GLY A 62 38.653 -5.341 -10.036 1.00 0.00 O ATOM 0 H GLY A 62 36.289 -7.482 -12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.012 -7.466 -10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.657 -7.765 -11.164 1.00 0.00 H new ATOM 919 N GLU A 63 37.838 -4.802 -12.061 1.00 0.00 N ATOM 920 CA GLU A 63 38.132 -3.380 -11.950 1.00 0.00 C ATOM 921 C GLU A 63 37.147 -2.705 -10.994 1.00 0.00 C ATOM 922 O GLU A 63 35.951 -2.992 -11.034 1.00 0.00 O ATOM 923 CB GLU A 63 38.091 -2.758 -13.356 1.00 0.00 C ATOM 924 CG GLU A 63 38.287 -1.236 -13.362 1.00 0.00 C ATOM 925 CD GLU A 63 39.694 -0.811 -12.945 1.00 0.00 C ATOM 926 OE1 GLU A 63 40.452 -1.679 -12.457 1.00 0.00 O ATOM 927 OE2 GLU A 63 40.003 0.387 -13.120 1.00 0.00 O ATOM 0 H GLU A 63 37.394 -5.064 -12.941 1.00 0.00 H new ATOM 0 HA GLU A 63 39.128 -3.231 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 63 38.865 -3.218 -13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.134 -2.994 -13.821 1.00 0.00 H new ATOM 0 HG2 GLU A 63 38.079 -0.853 -14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 63 37.562 -0.780 -12.689 1.00 0.00 H new ATOM 934 N LYS A 64 37.648 -1.809 -10.137 1.00 0.00 N ATOM 935 CA LYS A 64 36.814 -1.111 -9.160 1.00 0.00 C ATOM 936 C LYS A 64 35.873 -0.136 -9.859 1.00 0.00 C ATOM 937 O LYS A 64 36.112 0.244 -11.003 1.00 0.00 O ATOM 938 CB LYS A 64 37.684 -0.403 -8.112 1.00 0.00 C ATOM 939 CG LYS A 64 38.365 0.877 -8.623 1.00 0.00 C ATOM 940 CD LYS A 64 39.435 0.619 -9.686 1.00 0.00 C ATOM 941 CE LYS A 64 40.528 -0.307 -9.151 1.00 0.00 C ATOM 942 NZ LYS A 64 41.585 -0.518 -10.160 1.00 0.00 N ATOM 0 H LYS A 64 38.634 -1.551 -10.103 1.00 0.00 H new ATOM 0 HA LYS A 64 36.201 -1.845 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 64 37.065 -0.153 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.450 -1.095 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 64 37.607 1.542 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.820 1.398 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.976 0.173 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 64 39.876 1.565 -10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.963 0.122 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.092 -1.266 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 42.347 -1.094 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 41.185 -1.010 -10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.969 0.401 -10.458 1.00 0.00 H new ATOM 956 N SER A 65 34.802 0.275 -9.173 1.00 0.00 N ATOM 957 CA SER A 65 33.811 1.147 -9.784 1.00 0.00 C ATOM 958 C SER A 65 33.139 2.058 -8.758 1.00 0.00 C ATOM 959 O SER A 65 32.604 1.585 -7.755 1.00 0.00 O ATOM 960 CB SER A 65 32.763 0.285 -10.489 1.00 0.00 C ATOM 961 OG SER A 65 31.873 1.093 -11.225 1.00 0.00 O ATOM 0 H SER A 65 34.606 0.018 -8.206 1.00 0.00 H new ATOM 0 HA SER A 65 34.317 1.793 -10.502 1.00 0.00 H new ATOM 0 HB2 SER A 65 33.255 -0.424 -11.155 1.00 0.00 H new ATOM 0 HB3 SER A 65 32.210 -0.299 -9.754 1.00 0.00 H new ATOM 0 HG SER A 65 31.049 0.594 -11.402 1.00 0.00 H new ATOM 967 N THR A 66 33.172 3.366 -9.030 1.00 0.00 N ATOM 968 CA THR A 66 32.398 4.373 -8.313 1.00 0.00 C ATOM 969 C THR A 66 31.717 5.437 -9.193 1.00 0.00 C ATOM 970 O THR A 66 31.126 6.364 -8.639 1.00 0.00 O ATOM 971 CB THR A 66 33.218 5.025 -7.196 1.00 0.00 C ATOM 972 OG1 THR A 66 33.930 6.127 -7.726 1.00 0.00 O ATOM 973 CG2 THR A 66 34.210 4.069 -6.548 1.00 0.00 C ATOM 0 H THR A 66 33.752 3.759 -9.772 1.00 0.00 H new ATOM 0 HA THR A 66 31.575 3.810 -7.873 1.00 0.00 H new ATOM 0 HB THR A 66 32.514 5.338 -6.425 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.456 6.549 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.760 4.591 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.672 3.226 -6.114 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.909 3.705 -7.301 1.00 0.00 H new ATOM 981 N PRO A 67 31.772 5.355 -10.536 1.00 0.00 N ATOM 982 CA PRO A 67 31.259 6.409 -11.398 1.00 0.00 C ATOM 983 C PRO A 67 29.746 6.526 -11.265 1.00 0.00 C ATOM 984 O PRO A 67 29.192 7.607 -11.445 1.00 0.00 O ATOM 985 CB PRO A 67 31.651 6.000 -12.822 1.00 0.00 C ATOM 986 CG PRO A 67 31.813 4.484 -12.744 1.00 0.00 C ATOM 987 CD PRO A 67 32.298 4.261 -11.324 1.00 0.00 C ATOM 0 HA PRO A 67 31.669 7.383 -11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 67 30.884 6.282 -13.543 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.576 6.484 -13.135 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.872 3.968 -12.934 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.531 4.117 -13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.948 3.303 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.387 4.242 -11.284 1.00 0.00 H new ATOM 995 N VAL A 68 29.078 5.411 -10.950 1.00 0.00 N ATOM 996 CA VAL A 68 27.634 5.406 -10.783 1.00 0.00 C ATOM 997 C VAL A 68 27.219 5.746 -9.362 1.00 0.00 C ATOM 998 O VAL A 68 26.206 6.408 -9.169 1.00 0.00 O ATOM 999 CB VAL A 68 27.051 4.058 -11.229 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.594 3.678 -12.602 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.380 2.938 -10.246 1.00 0.00 C ATOM 0 H VAL A 68 29.521 4.504 -10.807 1.00 0.00 H new ATOM 0 HA VAL A 68 27.224 6.189 -11.421 1.00 0.00 H new ATOM 0 HB VAL A 68 25.968 4.177 -11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 68 27.173 2.720 -12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 68 27.318 4.443 -13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.680 3.598 -12.554 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.948 2.003 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.462 2.830 -10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.966 3.180 -9.267 1.00 0.00 H new ATOM 1011 N ALA A 69 27.985 5.311 -8.361 1.00 0.00 N ATOM 1012 CA ALA A 69 27.617 5.562 -6.976 1.00 0.00 C ATOM 1013 C ALA A 69 27.636 7.063 -6.694 1.00 0.00 C ATOM 1014 O ALA A 69 26.884 7.553 -5.854 1.00 0.00 O ATOM 1015 CB ALA A 69 28.591 4.827 -6.062 1.00 0.00 C ATOM 0 H ALA A 69 28.853 4.790 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 69 26.608 5.196 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.322 5.010 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.545 3.757 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.603 5.188 -6.244 1.00 0.00 H new ATOM 1021 N GLU A 70 28.499 7.790 -7.407 1.00 0.00 N ATOM 1022 CA GLU A 70 28.559 9.240 -7.321 1.00 0.00 C ATOM 1023 C GLU A 70 27.416 9.870 -8.122 1.00 0.00 C ATOM 1024 O GLU A 70 26.985 10.979 -7.818 1.00 0.00 O ATOM 1025 CB GLU A 70 29.909 9.717 -7.859 1.00 0.00 C ATOM 1026 CG GLU A 70 31.069 9.227 -6.981 1.00 0.00 C ATOM 1027 CD GLU A 70 31.120 9.932 -5.624 1.00 0.00 C ATOM 1028 OE1 GLU A 70 31.997 9.546 -4.819 1.00 0.00 O ATOM 1029 OE2 GLU A 70 30.292 10.841 -5.398 1.00 0.00 O ATOM 0 H GLU A 70 29.172 7.385 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 70 28.453 9.546 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.044 9.355 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.920 10.806 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 70 30.972 8.153 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.010 9.389 -7.506 1.00 0.00 H new ATOM 1036 N ALA A 71 26.928 9.157 -9.145 1.00 0.00 N ATOM 1037 CA ALA A 71 25.816 9.627 -9.961 1.00 0.00 C ATOM 1038 C ALA A 71 24.482 9.386 -9.252 1.00 0.00 C ATOM 1039 O ALA A 71 23.546 10.165 -9.424 1.00 0.00 O ATOM 1040 CB ALA A 71 25.844 8.912 -11.310 1.00 0.00 C ATOM 0 H ALA A 71 27.293 8.246 -9.424 1.00 0.00 H new ATOM 0 HA ALA A 71 25.918 10.701 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 71 25.014 9.261 -11.924 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.785 9.127 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.754 7.837 -11.154 1.00 0.00 H new ATOM 1046 N LEU A 72 24.383 8.313 -8.454 1.00 0.00 N ATOM 1047 CA LEU A 72 23.200 8.064 -7.640 1.00 0.00 C ATOM 1048 C LEU A 72 23.105 9.158 -6.579 1.00 0.00 C ATOM 1049 O LEU A 72 22.007 9.584 -6.225 1.00 0.00 O ATOM 1050 CB LEU A 72 23.322 6.682 -6.976 1.00 0.00 C ATOM 1051 CG LEU A 72 22.735 5.531 -7.809 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.222 5.670 -7.931 1.00 0.00 C ATOM 1053 CD2 LEU A 72 23.325 5.439 -9.209 1.00 0.00 C ATOM 0 H LEU A 72 25.113 7.607 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 72 22.301 8.076 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.375 6.476 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.819 6.710 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 72 22.996 4.619 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.828 4.845 -8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 72 20.773 5.650 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.982 6.615 -8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.867 4.606 -9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 72 23.130 6.366 -9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 72 24.401 5.279 -9.141 1.00 0.00 H new ATOM 1065 N ALA A 73 24.254 9.619 -6.073 1.00 0.00 N ATOM 1066 CA ALA A 73 24.284 10.693 -5.092 1.00 0.00 C ATOM 1067 C ALA A 73 23.970 12.038 -5.753 1.00 0.00 C ATOM 1068 O ALA A 73 23.413 12.927 -5.110 1.00 0.00 O ATOM 1069 CB ALA A 73 25.663 10.722 -4.430 1.00 0.00 C ATOM 0 H ALA A 73 25.173 9.260 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 73 23.522 10.514 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.696 11.524 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.850 9.768 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.427 10.895 -5.188 1.00 0.00 H new ATOM 1075 N ALA A 74 24.322 12.190 -7.034 1.00 0.00 N ATOM 1076 CA ALA A 74 24.062 13.420 -7.770 1.00 0.00 C ATOM 1077 C ALA A 74 22.583 13.522 -8.140 1.00 0.00 C ATOM 1078 O ALA A 74 22.018 14.618 -8.162 1.00 0.00 O ATOM 1079 CB ALA A 74 24.914 13.426 -9.035 1.00 0.00 C ATOM 0 H ALA A 74 24.791 11.468 -7.581 1.00 0.00 H new ATOM 0 HA ALA A 74 24.317 14.275 -7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.728 14.343 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.968 13.374 -8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.655 12.565 -9.652 1.00 0.00 H new ATOM 1085 N ARG A 75 21.959 12.376 -8.427 1.00 0.00 N ATOM 1086 CA ARG A 75 20.545 12.303 -8.774 1.00 0.00 C ATOM 1087 C ARG A 75 19.669 12.227 -7.528 1.00 0.00 C ATOM 1088 O ARG A 75 18.449 12.118 -7.636 1.00 0.00 O ATOM 1089 CB ARG A 75 20.318 11.102 -9.692 1.00 0.00 C ATOM 1090 CG ARG A 75 20.864 11.416 -11.087 1.00 0.00 C ATOM 1091 CD ARG A 75 20.759 10.184 -11.986 1.00 0.00 C ATOM 1092 NE ARG A 75 20.836 10.564 -13.401 1.00 0.00 N ATOM 1093 CZ ARG A 75 19.779 10.964 -14.118 1.00 0.00 C ATOM 1094 NH1 ARG A 75 18.568 11.020 -13.567 1.00 0.00 N ATOM 1095 NH2 ARG A 75 19.929 11.309 -15.392 1.00 0.00 N ATOM 0 H ARG A 75 22.427 11.470 -8.424 1.00 0.00 H new ATOM 0 HA ARG A 75 20.259 13.213 -9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.814 10.221 -9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.254 10.871 -9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.306 12.244 -11.526 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.904 11.735 -11.015 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.561 9.485 -11.748 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.819 9.667 -11.794 1.00 0.00 H new ATOM 0 HE ARG A 75 21.744 10.521 -13.863 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.440 10.757 -12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.769 11.326 -14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.851 11.269 -15.826 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.122 11.613 -15.936 1.00 0.00 H new ATOM 1109 N ASP A 76 20.290 12.285 -6.345 1.00 0.00 N ATOM 1110 CA ASP A 76 19.590 12.231 -5.071 1.00 0.00 C ATOM 1111 C ASP A 76 18.698 10.987 -4.980 1.00 0.00 C ATOM 1112 O ASP A 76 17.529 11.077 -4.597 1.00 0.00 O ATOM 1113 CB ASP A 76 18.830 13.541 -4.845 1.00 0.00 C ATOM 1114 CG ASP A 76 18.113 13.574 -3.494 1.00 0.00 C ATOM 1115 OD1 ASP A 76 17.131 14.344 -3.389 1.00 0.00 O ATOM 1116 OD2 ASP A 76 18.551 12.841 -2.582 1.00 0.00 O ATOM 0 H ASP A 76 21.302 12.372 -6.251 1.00 0.00 H new ATOM 0 HA ASP A 76 20.313 12.132 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.527 14.377 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.101 13.677 -5.644 1.00 0.00 H new ATOM 1121 N ILE A 77 19.254 9.825 -5.337 1.00 0.00 N ATOM 1122 CA ILE A 77 18.554 8.550 -5.238 1.00 0.00 C ATOM 1123 C ILE A 77 19.395 7.578 -4.407 1.00 0.00 C ATOM 1124 O ILE A 77 20.619 7.588 -4.523 1.00 0.00 O ATOM 1125 CB ILE A 77 18.243 7.975 -6.627 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.216 8.488 -7.696 1.00 0.00 C ATOM 1127 CG2 ILE A 77 16.827 8.387 -7.021 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.890 7.897 -9.071 1.00 0.00 C ATOM 0 H ILE A 77 20.203 9.747 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 77 17.597 8.706 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 77 18.343 6.891 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.167 9.576 -7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.237 8.227 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.592 7.985 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.118 7.996 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.758 9.475 -7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.596 8.279 -9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.964 6.810 -9.027 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.877 8.181 -9.358 1.00 0.00 H new ATOM 1140 N PRO A 78 18.762 6.741 -3.571 1.00 0.00 N ATOM 1141 CA PRO A 78 19.451 5.842 -2.667 1.00 0.00 C ATOM 1142 C PRO A 78 20.277 4.796 -3.410 1.00 0.00 C ATOM 1143 O PRO A 78 20.009 4.486 -4.568 1.00 0.00 O ATOM 1144 CB PRO A 78 18.363 5.176 -1.820 1.00 0.00 C ATOM 1145 CG PRO A 78 17.121 6.040 -2.024 1.00 0.00 C ATOM 1146 CD PRO A 78 17.326 6.630 -3.414 1.00 0.00 C ATOM 0 HA PRO A 78 20.162 6.394 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.187 4.149 -2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.649 5.138 -0.769 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.207 5.449 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.044 6.818 -1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.894 5.988 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.844 7.603 -3.504 1.00 0.00 H new ATOM 1154 N PHE A 79 21.290 4.251 -2.731 1.00 0.00 N ATOM 1155 CA PHE A 79 22.141 3.224 -3.303 1.00 0.00 C ATOM 1156 C PHE A 79 22.721 2.283 -2.248 1.00 0.00 C ATOM 1157 O PHE A 79 22.926 2.688 -1.104 1.00 0.00 O ATOM 1158 CB PHE A 79 23.239 3.852 -4.174 1.00 0.00 C ATOM 1159 CG PHE A 79 24.034 4.952 -3.501 1.00 0.00 C ATOM 1160 CD1 PHE A 79 25.338 4.699 -3.052 1.00 0.00 C ATOM 1161 CD2 PHE A 79 23.477 6.228 -3.334 1.00 0.00 C ATOM 1162 CE1 PHE A 79 26.081 5.723 -2.446 1.00 0.00 C ATOM 1163 CE2 PHE A 79 24.215 7.246 -2.722 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.518 6.995 -2.276 1.00 0.00 C ATOM 0 H PHE A 79 21.536 4.512 -1.776 1.00 0.00 H new ATOM 0 HA PHE A 79 21.513 2.605 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 79 23.927 3.067 -4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.780 4.255 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 79 25.770 3.717 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 79 22.473 6.426 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 79 27.089 5.531 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 79 23.780 8.226 -2.593 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.088 7.780 -1.802 1.00 0.00 H new ATOM 1174 N VAL A 80 22.985 1.033 -2.640 1.00 0.00 N ATOM 1175 CA VAL A 80 23.589 0.030 -1.764 1.00 0.00 C ATOM 1176 C VAL A 80 24.846 -0.526 -2.418 1.00 0.00 C ATOM 1177 O VAL A 80 24.931 -0.595 -3.641 1.00 0.00 O ATOM 1178 CB VAL A 80 22.594 -1.108 -1.481 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.182 -2.127 -0.510 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.314 -0.600 -0.847 1.00 0.00 C ATOM 0 H VAL A 80 22.784 0.689 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 80 23.852 0.500 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 80 22.385 -1.561 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.455 -2.919 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.088 -2.556 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.423 -1.635 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.641 -1.438 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.546 -0.109 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.834 0.112 -1.518 1.00 0.00 H new ATOM 1190 N PHE A 81 25.823 -0.927 -1.604 1.00 0.00 N ATOM 1191 CA PHE A 81 26.999 -1.624 -2.101 1.00 0.00 C ATOM 1192 C PHE A 81 26.921 -3.138 -1.939 1.00 0.00 C ATOM 1193 O PHE A 81 26.083 -3.641 -1.192 1.00 0.00 O ATOM 1194 CB PHE A 81 28.284 -1.023 -1.538 1.00 0.00 C ATOM 1195 CG PHE A 81 28.710 0.244 -2.239 1.00 0.00 C ATOM 1196 CD1 PHE A 81 29.575 0.178 -3.341 1.00 0.00 C ATOM 1197 CD2 PHE A 81 28.245 1.487 -1.787 1.00 0.00 C ATOM 1198 CE1 PHE A 81 29.998 1.354 -3.975 1.00 0.00 C ATOM 1199 CE2 PHE A 81 28.654 2.661 -2.435 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.535 2.595 -3.522 1.00 0.00 C ATOM 0 H PHE A 81 25.818 -0.778 -0.595 1.00 0.00 H new ATOM 0 HA PHE A 81 27.022 -1.466 -3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.144 -0.813 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.085 -1.759 -1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 81 29.916 -0.781 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 81 27.574 1.540 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 81 30.680 1.303 -4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 81 28.289 3.619 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.857 3.502 -4.011 1.00 0.00 H new ATOM 1210 N ALA A 82 27.790 -3.870 -2.632 1.00 0.00 N ATOM 1211 CA ALA A 82 27.845 -5.312 -2.515 1.00 0.00 C ATOM 1212 C ALA A 82 29.285 -5.763 -2.309 1.00 0.00 C ATOM 1213 O ALA A 82 30.207 -5.222 -2.919 1.00 0.00 O ATOM 1214 CB ALA A 82 27.222 -5.961 -3.751 1.00 0.00 C ATOM 0 H ALA A 82 28.469 -3.477 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 82 27.269 -5.629 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.268 -7.046 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.182 -5.648 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.772 -5.652 -4.640 1.00 0.00 H new ATOM 1220 N THR A 83 29.474 -6.762 -1.444 1.00 0.00 N ATOM 1221 CA THR A 83 30.790 -7.292 -1.102 1.00 0.00 C ATOM 1222 C THR A 83 30.663 -8.807 -0.939 1.00 0.00 C ATOM 1223 O THR A 83 29.572 -9.361 -1.058 1.00 0.00 O ATOM 1224 CB THR A 83 31.284 -6.650 0.199 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.312 -6.785 1.210 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.580 -5.164 -0.017 1.00 0.00 C ATOM 0 H THR A 83 28.708 -7.228 -0.958 1.00 0.00 H new ATOM 0 HA THR A 83 31.511 -7.065 -1.887 1.00 0.00 H new ATOM 0 HB THR A 83 32.198 -7.159 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.640 -6.372 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.930 -4.723 0.917 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.349 -5.054 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.672 -4.655 -0.341 1.00 0.00 H new ATOM 1234 N GLY A 84 31.783 -9.485 -0.669 1.00 0.00 N ATOM 1235 CA GLY A 84 31.790 -10.923 -0.458 1.00 0.00 C ATOM 1236 C GLY A 84 32.806 -11.304 0.611 1.00 0.00 C ATOM 1237 O GLY A 84 33.171 -10.477 1.447 1.00 0.00 O ATOM 0 H GLY A 84 32.702 -9.049 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 84 30.797 -11.257 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.029 -11.432 -1.392 1.00 0.00 H new ATOM 1241 N GLY A 85 33.266 -12.560 0.585 1.00 0.00 N ATOM 1242 CA GLY A 85 34.323 -13.028 1.475 1.00 0.00 C ATOM 1243 C GLY A 85 35.667 -12.408 1.091 1.00 0.00 C ATOM 1244 O GLY A 85 36.677 -12.642 1.753 1.00 0.00 O ATOM 0 H GLY A 85 32.915 -13.275 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 85 34.079 -12.769 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 85 34.391 -14.115 1.427 1.00 0.00 H new ATOM 1248 N SER A 86 35.670 -11.618 0.017 1.00 0.00 N ATOM 1249 CA SER A 86 36.835 -10.900 -0.469 1.00 0.00 C ATOM 1250 C SER A 86 36.363 -9.631 -1.172 1.00 0.00 C ATOM 1251 O SER A 86 35.160 -9.428 -1.346 1.00 0.00 O ATOM 1252 CB SER A 86 37.628 -11.794 -1.421 1.00 0.00 C ATOM 1253 OG SER A 86 36.854 -12.087 -2.568 1.00 0.00 O ATOM 0 H SER A 86 34.837 -11.460 -0.550 1.00 0.00 H new ATOM 0 HA SER A 86 37.490 -10.626 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 86 38.553 -11.297 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 86 37.909 -12.718 -0.916 1.00 0.00 H new ATOM 0 HG SER A 86 37.370 -12.659 -3.174 1.00 0.00 H new ATOM 1259 N ASP A 87 37.307 -8.775 -1.579 1.00 0.00 N ATOM 1260 CA ASP A 87 36.993 -7.517 -2.246 1.00 0.00 C ATOM 1261 C ASP A 87 36.090 -6.595 -1.420 1.00 0.00 C ATOM 1262 O ASP A 87 35.519 -5.640 -1.947 1.00 0.00 O ATOM 1263 CB ASP A 87 36.451 -7.764 -3.660 1.00 0.00 C ATOM 1264 CG ASP A 87 37.519 -8.318 -4.606 1.00 0.00 C ATOM 1265 OD1 ASP A 87 37.164 -8.529 -5.791 1.00 0.00 O ATOM 1266 OD2 ASP A 87 38.665 -8.524 -4.147 1.00 0.00 O ATOM 0 H ASP A 87 38.306 -8.939 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 87 37.932 -6.972 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 87 35.617 -8.463 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 87 36.060 -6.830 -4.065 1.00 0.00 H new ATOM 1271 N ASP A 88 35.958 -6.877 -0.119 1.00 0.00 N ATOM 1272 CA ASP A 88 35.150 -6.076 0.792 1.00 0.00 C ATOM 1273 C ASP A 88 35.849 -4.771 1.189 1.00 0.00 C ATOM 1274 O ASP A 88 35.412 -4.087 2.112 1.00 0.00 O ATOM 1275 CB ASP A 88 34.747 -6.899 2.021 1.00 0.00 C ATOM 1276 CG ASP A 88 35.938 -7.556 2.732 1.00 0.00 C ATOM 1277 OD1 ASP A 88 37.093 -7.242 2.364 1.00 0.00 O ATOM 1278 OD2 ASP A 88 35.672 -8.372 3.641 1.00 0.00 O ATOM 0 H ASP A 88 36.413 -7.673 0.329 1.00 0.00 H new ATOM 0 HA ASP A 88 34.241 -5.790 0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.224 -6.253 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 88 34.043 -7.673 1.716 1.00 0.00 H new ATOM 1283 N SER A 89 36.936 -4.433 0.490 1.00 0.00 N ATOM 1284 CA SER A 89 37.726 -3.236 0.744 1.00 0.00 C ATOM 1285 C SER A 89 37.056 -1.988 0.167 1.00 0.00 C ATOM 1286 O SER A 89 37.720 -1.148 -0.444 1.00 0.00 O ATOM 1287 CB SER A 89 39.130 -3.431 0.170 1.00 0.00 C ATOM 1288 OG SER A 89 39.058 -3.631 -1.227 1.00 0.00 O ATOM 0 H SER A 89 37.294 -4.997 -0.281 1.00 0.00 H new ATOM 0 HA SER A 89 37.798 -3.081 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.746 -2.559 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.610 -4.287 0.644 1.00 0.00 H new ATOM 0 HG SER A 89 39.961 -3.753 -1.587 1.00 0.00 H new ATOM 1294 N VAL A 90 35.738 -1.855 0.355 1.00 0.00 N ATOM 1295 CA VAL A 90 34.994 -0.698 -0.128 1.00 0.00 C ATOM 1296 C VAL A 90 35.600 0.577 0.466 1.00 0.00 C ATOM 1297 O VAL A 90 36.063 0.585 1.608 1.00 0.00 O ATOM 1298 CB VAL A 90 33.503 -0.855 0.219 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.292 -1.118 1.709 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.722 0.396 -0.179 1.00 0.00 C ATOM 0 H VAL A 90 35.165 -2.544 0.843 1.00 0.00 H new ATOM 0 HA VAL A 90 35.066 -0.625 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 90 33.136 -1.714 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.226 -1.223 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.808 -2.035 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.691 -0.284 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.670 0.264 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 90 33.119 1.259 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.819 0.559 -1.252 1.00 0.00 H new ATOM 1310 N ASP A 91 35.601 1.655 -0.322 1.00 0.00 N ATOM 1311 CA ASP A 91 36.300 2.891 0.012 1.00 0.00 C ATOM 1312 C ASP A 91 35.599 3.578 1.184 1.00 0.00 C ATOM 1313 O ASP A 91 34.399 3.396 1.387 1.00 0.00 O ATOM 1314 CB ASP A 91 36.285 3.802 -1.221 1.00 0.00 C ATOM 1315 CG ASP A 91 37.274 4.959 -1.094 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.189 5.875 -1.942 1.00 0.00 O ATOM 1317 OD2 ASP A 91 38.101 4.922 -0.157 1.00 0.00 O ATOM 0 H ASP A 91 35.112 1.691 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 91 37.329 2.678 0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.526 3.215 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 91 35.280 4.199 -1.365 1.00 0.00 H new ATOM 1322 N SER A 92 36.350 4.377 1.949 1.00 0.00 N ATOM 1323 CA SER A 92 35.810 5.117 3.083 1.00 0.00 C ATOM 1324 C SER A 92 34.806 6.161 2.604 1.00 0.00 C ATOM 1325 O SER A 92 34.031 6.692 3.399 1.00 0.00 O ATOM 1326 CB SER A 92 36.951 5.783 3.845 1.00 0.00 C ATOM 1327 OG SER A 92 37.566 6.761 3.030 1.00 0.00 O ATOM 0 H SER A 92 37.347 4.526 1.796 1.00 0.00 H new ATOM 0 HA SER A 92 35.292 4.427 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.571 6.243 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.684 5.035 4.147 1.00 0.00 H new ATOM 0 HG SER A 92 38.297 7.187 3.525 1.00 0.00 H new ATOM 1333 N ARG A 93 34.821 6.450 1.296 1.00 0.00 N ATOM 1334 CA ARG A 93 33.860 7.334 0.653 1.00 0.00 C ATOM 1335 C ARG A 93 32.452 6.740 0.727 1.00 0.00 C ATOM 1336 O ARG A 93 31.474 7.458 0.534 1.00 0.00 O ATOM 1337 CB ARG A 93 34.313 7.525 -0.803 1.00 0.00 C ATOM 1338 CG ARG A 93 33.279 8.228 -1.689 1.00 0.00 C ATOM 1339 CD ARG A 93 32.968 9.641 -1.207 1.00 0.00 C ATOM 1340 NE ARG A 93 32.032 10.295 -2.129 1.00 0.00 N ATOM 1341 CZ ARG A 93 31.100 11.178 -1.764 1.00 0.00 C ATOM 1342 NH1 ARG A 93 30.977 11.548 -0.492 1.00 0.00 N ATOM 1343 NH2 ARG A 93 30.287 11.692 -2.680 1.00 0.00 N ATOM 0 H ARG A 93 35.514 6.067 0.652 1.00 0.00 H new ATOM 0 HA ARG A 93 33.822 8.299 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 93 35.237 8.102 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.542 6.550 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 93 33.650 8.269 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 93 32.360 7.642 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.539 9.606 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 93 33.888 10.221 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 93 32.098 10.058 -3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 93 31.599 11.156 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 93 30.261 12.224 -0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 93 30.377 11.412 -3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 93 29.573 12.367 -2.407 1.00 0.00 H new ATOM 1357 N PHE A 94 32.347 5.439 1.004 1.00 0.00 N ATOM 1358 CA PHE A 94 31.067 4.745 0.979 1.00 0.00 C ATOM 1359 C PHE A 94 30.878 3.851 2.205 1.00 0.00 C ATOM 1360 O PHE A 94 29.922 3.082 2.257 1.00 0.00 O ATOM 1361 CB PHE A 94 30.962 3.923 -0.304 1.00 0.00 C ATOM 1362 CG PHE A 94 31.140 4.744 -1.560 1.00 0.00 C ATOM 1363 CD1 PHE A 94 30.137 5.639 -1.968 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.312 4.613 -2.319 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.307 6.391 -3.141 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.482 5.375 -3.483 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.479 6.263 -3.896 1.00 0.00 C ATOM 0 H PHE A 94 33.140 4.846 1.249 1.00 0.00 H new ATOM 0 HA PHE A 94 30.273 5.492 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.715 3.135 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.989 3.433 -0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 94 29.237 5.748 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 94 33.084 3.925 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 94 29.531 7.070 -3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.388 5.278 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 94 31.610 6.847 -4.795 1.00 0.00 H new ATOM 1377 N ARG A 95 31.771 3.939 3.198 1.00 0.00 N ATOM 1378 CA ARG A 95 31.636 3.147 4.416 1.00 0.00 C ATOM 1379 C ARG A 95 30.423 3.583 5.236 1.00 0.00 C ATOM 1380 O ARG A 95 29.981 2.847 6.114 1.00 0.00 O ATOM 1381 CB ARG A 95 32.916 3.259 5.251 1.00 0.00 C ATOM 1382 CG ARG A 95 34.018 2.346 4.701 1.00 0.00 C ATOM 1383 CD ARG A 95 33.682 0.866 4.896 1.00 0.00 C ATOM 1384 NE ARG A 95 33.537 0.534 6.320 1.00 0.00 N ATOM 1385 CZ ARG A 95 34.535 0.090 7.087 1.00 0.00 C ATOM 1386 NH1 ARG A 95 35.756 -0.076 6.585 1.00 0.00 N ATOM 1387 NH2 ARG A 95 34.312 -0.192 8.369 1.00 0.00 N ATOM 0 H ARG A 95 32.589 4.548 3.178 1.00 0.00 H new ATOM 0 HA ARG A 95 31.481 2.106 4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 95 33.263 4.292 5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.703 2.993 6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 95 34.162 2.549 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 95 34.960 2.573 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 95 32.758 0.628 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 95 34.467 0.252 4.455 1.00 0.00 H new ATOM 0 HE ARG A 95 32.618 0.650 6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 95 35.937 0.137 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 95 36.511 -0.416 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 95 33.380 -0.069 8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 95 35.074 -0.531 8.956 1.00 0.00 H new ATOM 1401 N ASP A 96 29.883 4.771 4.952 1.00 0.00 N ATOM 1402 CA ASP A 96 28.673 5.254 5.609 1.00 0.00 C ATOM 1403 C ASP A 96 27.406 4.687 4.963 1.00 0.00 C ATOM 1404 O ASP A 96 26.312 4.832 5.511 1.00 0.00 O ATOM 1405 CB ASP A 96 28.654 6.785 5.611 1.00 0.00 C ATOM 1406 CG ASP A 96 29.760 7.384 6.482 1.00 0.00 C ATOM 1407 OD1 ASP A 96 30.469 6.602 7.151 1.00 0.00 O ATOM 1408 OD2 ASP A 96 29.883 8.630 6.472 1.00 0.00 O ATOM 0 H ASP A 96 30.271 5.418 4.265 1.00 0.00 H new ATOM 0 HA ASP A 96 28.686 4.901 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.764 7.148 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 96 27.685 7.133 5.970 1.00 0.00 H new ATOM 1413 N ARG A 97 27.555 4.042 3.798 1.00 0.00 N ATOM 1414 CA ARG A 97 26.439 3.452 3.070 1.00 0.00 C ATOM 1415 C ARG A 97 26.188 2.027 3.561 1.00 0.00 C ATOM 1416 O ARG A 97 27.099 1.388 4.086 1.00 0.00 O ATOM 1417 CB ARG A 97 26.760 3.431 1.572 1.00 0.00 C ATOM 1418 CG ARG A 97 27.053 4.832 1.030 1.00 0.00 C ATOM 1419 CD ARG A 97 25.867 5.774 1.244 1.00 0.00 C ATOM 1420 NE ARG A 97 24.628 5.194 0.714 1.00 0.00 N ATOM 1421 CZ ARG A 97 23.413 5.462 1.196 1.00 0.00 C ATOM 1422 NH1 ARG A 97 23.248 6.356 2.167 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.356 4.823 0.706 1.00 0.00 N ATOM 0 H ARG A 97 28.457 3.918 3.339 1.00 0.00 H new ATOM 0 HA ARG A 97 25.544 4.050 3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.621 2.786 1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.920 2.999 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 97 27.935 5.238 1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 97 27.284 4.771 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.750 5.980 2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 97 26.064 6.728 0.755 1.00 0.00 H new ATOM 0 HE ARG A 97 24.700 4.546 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 97 24.056 6.846 2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.314 6.552 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.476 4.132 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.425 5.024 1.070 1.00 0.00 H new ATOM 1437 N PRO A 98 24.958 1.519 3.393 1.00 0.00 N ATOM 1438 CA PRO A 98 24.632 0.135 3.659 1.00 0.00 C ATOM 1439 C PRO A 98 25.306 -0.751 2.616 1.00 0.00 C ATOM 1440 O PRO A 98 25.644 -0.286 1.526 1.00 0.00 O ATOM 1441 CB PRO A 98 23.109 0.041 3.566 1.00 0.00 C ATOM 1442 CG PRO A 98 22.727 1.201 2.646 1.00 0.00 C ATOM 1443 CD PRO A 98 23.806 2.251 2.909 1.00 0.00 C ATOM 0 HA PRO A 98 24.979 -0.197 4.638 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.792 -0.917 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.642 0.137 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.715 0.894 1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.733 1.583 2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 98 24.046 2.801 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.470 2.982 3.644 1.00 0.00 H new ATOM 1451 N VAL A 99 25.508 -2.029 2.943 1.00 0.00 N ATOM 1452 CA VAL A 99 26.177 -2.948 2.034 1.00 0.00 C ATOM 1453 C VAL A 99 25.671 -4.367 2.258 1.00 0.00 C ATOM 1454 O VAL A 99 25.657 -4.867 3.382 1.00 0.00 O ATOM 1455 CB VAL A 99 27.696 -2.851 2.240 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.093 -3.013 3.709 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.432 -3.919 1.432 1.00 0.00 C ATOM 0 H VAL A 99 25.218 -2.445 3.828 1.00 0.00 H new ATOM 0 HA VAL A 99 25.952 -2.678 1.002 1.00 0.00 H new ATOM 0 HB VAL A 99 27.980 -1.855 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.176 -2.937 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.621 -2.230 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.765 -3.988 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.505 -3.825 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.101 -4.908 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.216 -3.787 0.372 1.00 0.00 H new ATOM 1467 N LEU A 100 25.259 -5.009 1.167 1.00 0.00 N ATOM 1468 CA LEU A 100 24.942 -6.428 1.156 1.00 0.00 C ATOM 1469 C LEU A 100 26.234 -7.215 0.933 1.00 0.00 C ATOM 1470 O LEU A 100 27.183 -6.688 0.362 1.00 0.00 O ATOM 1471 CB LEU A 100 23.923 -6.718 0.051 1.00 0.00 C ATOM 1472 CG LEU A 100 22.575 -6.047 0.333 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.643 -6.267 -0.852 1.00 0.00 C ATOM 1474 CD2 LEU A 100 21.928 -6.651 1.581 1.00 0.00 C ATOM 0 H LEU A 100 25.136 -4.553 0.263 1.00 0.00 H new ATOM 0 HA LEU A 100 24.503 -6.729 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.312 -6.366 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.781 -7.795 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 100 22.744 -4.982 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.683 -5.790 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.085 -5.832 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.493 -7.336 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 100 20.971 -6.163 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 100 21.767 -7.718 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.584 -6.503 2.439 1.00 0.00 H new ATOM 1486 N GLN A 101 26.277 -8.472 1.377 1.00 0.00 N ATOM 1487 CA GLN A 101 27.510 -9.249 1.337 1.00 0.00 C ATOM 1488 C GLN A 101 27.218 -10.695 0.907 1.00 0.00 C ATOM 1489 O GLN A 101 26.625 -10.914 -0.147 1.00 0.00 O ATOM 1490 CB GLN A 101 28.203 -9.139 2.698 1.00 0.00 C ATOM 1491 CG GLN A 101 29.668 -9.585 2.612 1.00 0.00 C ATOM 1492 CD GLN A 101 30.478 -9.094 3.807 1.00 0.00 C ATOM 1493 OE1 GLN A 101 29.920 -8.687 4.822 1.00 0.00 O ATOM 1494 NE2 GLN A 101 31.801 -9.134 3.692 1.00 0.00 N ATOM 0 H GLN A 101 25.475 -8.969 1.766 1.00 0.00 H new ATOM 0 HA GLN A 101 28.196 -8.853 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.154 -8.109 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 101 27.676 -9.753 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 101 29.715 -10.673 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.111 -9.205 1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.228 -9.479 2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.390 -8.820 4.463 1.00 0.00 H new ATOM 1503 N LYS A 102 27.633 -11.675 1.718 1.00 0.00 N ATOM 1504 CA LYS A 102 27.401 -13.096 1.467 1.00 0.00 C ATOM 1505 C LYS A 102 25.907 -13.378 1.279 1.00 0.00 C ATOM 1506 O LYS A 102 25.081 -12.536 1.619 1.00 0.00 O ATOM 1507 CB LYS A 102 28.030 -13.925 2.603 1.00 0.00 C ATOM 1508 CG LYS A 102 27.822 -13.331 4.006 1.00 0.00 C ATOM 1509 CD LYS A 102 26.356 -13.271 4.432 1.00 0.00 C ATOM 1510 CE LYS A 102 25.726 -14.663 4.457 1.00 0.00 C ATOM 1511 NZ LYS A 102 26.391 -15.539 5.438 1.00 0.00 N ATOM 0 H LYS A 102 28.148 -11.497 2.580 1.00 0.00 H new ATOM 0 HA LYS A 102 27.884 -13.392 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.609 -14.930 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.100 -14.023 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.378 -13.926 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.241 -12.325 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 102 26.281 -12.818 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 102 25.802 -12.631 3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 102 24.667 -14.580 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.791 -15.111 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 25.822 -16.398 5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.334 -15.802 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 26.488 -15.036 6.343 1.00 0.00 H new ATOM 1525 N PRO A 103 25.540 -14.556 0.745 1.00 0.00 N ATOM 1526 CA PRO A 103 24.161 -14.898 0.455 1.00 0.00 C ATOM 1527 C PRO A 103 23.250 -14.573 1.632 1.00 0.00 C ATOM 1528 O PRO A 103 23.371 -15.156 2.708 1.00 0.00 O ATOM 1529 CB PRO A 103 24.173 -16.386 0.107 1.00 0.00 C ATOM 1530 CG PRO A 103 25.579 -16.612 -0.445 1.00 0.00 C ATOM 1531 CD PRO A 103 26.436 -15.627 0.348 1.00 0.00 C ATOM 0 HA PRO A 103 23.760 -14.315 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.982 -17.005 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.408 -16.632 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.908 -17.640 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.626 -16.414 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.881 -16.108 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.257 -15.246 -0.259 1.00 0.00 H new ATOM 1539 N PHE A 104 22.340 -13.626 1.408 1.00 0.00 N ATOM 1540 CA PHE A 104 21.490 -13.053 2.438 1.00 0.00 C ATOM 1541 C PHE A 104 20.077 -13.624 2.489 1.00 0.00 C ATOM 1542 O PHE A 104 19.572 -14.136 1.489 1.00 0.00 O ATOM 1543 CB PHE A 104 21.507 -11.528 2.332 1.00 0.00 C ATOM 1544 CG PHE A 104 21.728 -11.042 0.917 1.00 0.00 C ATOM 1545 CD1 PHE A 104 22.987 -10.558 0.533 1.00 0.00 C ATOM 1546 CD2 PHE A 104 20.683 -11.099 -0.016 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.202 -10.145 -0.789 1.00 0.00 C ATOM 1548 CE2 PHE A 104 20.899 -10.674 -1.334 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.157 -10.199 -1.722 1.00 0.00 C ATOM 0 H PHE A 104 22.173 -13.230 0.483 1.00 0.00 H new ATOM 0 HA PHE A 104 21.916 -13.348 3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.562 -11.132 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.294 -11.132 2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.789 -10.504 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 104 19.713 -11.470 0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.175 -9.784 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.093 -10.713 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.323 -9.875 -2.739 1.00 0.00 H new ATOM 1559 N THR A 105 19.442 -13.525 3.659 1.00 0.00 N ATOM 1560 CA THR A 105 18.054 -13.932 3.841 1.00 0.00 C ATOM 1561 C THR A 105 17.075 -12.844 3.421 1.00 0.00 C ATOM 1562 O THR A 105 17.484 -11.745 3.044 1.00 0.00 O ATOM 1563 CB THR A 105 17.800 -14.395 5.277 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.523 -13.274 6.087 1.00 0.00 O ATOM 1565 CG2 THR A 105 19.005 -15.146 5.851 1.00 0.00 C ATOM 0 H THR A 105 19.879 -13.160 4.505 1.00 0.00 H new ATOM 0 HA THR A 105 17.878 -14.781 3.180 1.00 0.00 H new ATOM 0 HB THR A 105 16.950 -15.077 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.358 -13.568 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.786 -15.459 6.872 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.212 -16.024 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.876 -14.491 5.851 1.00 0.00 H new ATOM 1573 N MET A 106 15.778 -13.153 3.496 1.00 0.00 N ATOM 1574 CA MET A 106 14.740 -12.185 3.179 1.00 0.00 C ATOM 1575 C MET A 106 14.806 -10.999 4.150 1.00 0.00 C ATOM 1576 O MET A 106 14.401 -9.890 3.809 1.00 0.00 O ATOM 1577 CB MET A 106 13.386 -12.892 3.266 1.00 0.00 C ATOM 1578 CG MET A 106 12.198 -11.968 2.973 1.00 0.00 C ATOM 1579 SD MET A 106 11.881 -11.651 1.214 1.00 0.00 S ATOM 1580 CE MET A 106 13.037 -10.292 0.909 1.00 0.00 C ATOM 0 H MET A 106 15.427 -14.069 3.775 1.00 0.00 H new ATOM 0 HA MET A 106 14.882 -11.792 2.172 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.373 -13.724 2.562 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.269 -13.317 4.263 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.302 -12.404 3.414 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.368 -11.014 3.473 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.866 -9.886 -0.088 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.882 -9.509 1.651 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.060 -10.662 0.980 1.00 0.00 H new ATOM 1590 N ASP A 107 15.319 -11.242 5.360 1.00 0.00 N ATOM 1591 CA ASP A 107 15.446 -10.207 6.373 1.00 0.00 C ATOM 1592 C ASP A 107 16.727 -9.407 6.120 1.00 0.00 C ATOM 1593 O ASP A 107 16.831 -8.257 6.540 1.00 0.00 O ATOM 1594 CB ASP A 107 15.515 -10.884 7.743 1.00 0.00 C ATOM 1595 CG ASP A 107 15.361 -9.892 8.899 1.00 0.00 C ATOM 1596 OD1 ASP A 107 15.766 -10.265 10.023 1.00 0.00 O ATOM 1597 OD2 ASP A 107 14.845 -8.779 8.650 1.00 0.00 O ATOM 0 H ASP A 107 15.654 -12.158 5.657 1.00 0.00 H new ATOM 0 HA ASP A 107 14.594 -9.529 6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.732 -11.639 7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.468 -11.404 7.840 1.00 0.00 H new ATOM 1602 N GLY A 108 17.705 -10.014 5.437 1.00 0.00 N ATOM 1603 CA GLY A 108 18.991 -9.375 5.200 1.00 0.00 C ATOM 1604 C GLY A 108 18.877 -8.260 4.166 1.00 0.00 C ATOM 1605 O GLY A 108 19.512 -7.216 4.311 1.00 0.00 O ATOM 0 H GLY A 108 17.623 -10.950 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.374 -8.968 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.711 -10.119 4.857 1.00 0.00 H new ATOM 1609 N VAL A 109 18.069 -8.467 3.125 1.00 0.00 N ATOM 1610 CA VAL A 109 17.831 -7.429 2.133 1.00 0.00 C ATOM 1611 C VAL A 109 16.878 -6.374 2.683 1.00 0.00 C ATOM 1612 O VAL A 109 16.955 -5.211 2.295 1.00 0.00 O ATOM 1613 CB VAL A 109 17.301 -8.040 0.830 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.216 -9.167 0.358 1.00 0.00 C ATOM 1615 CG2 VAL A 109 15.887 -8.590 1.014 1.00 0.00 C ATOM 0 H VAL A 109 17.573 -9.341 2.951 1.00 0.00 H new ATOM 0 HA VAL A 109 18.777 -6.937 1.907 1.00 0.00 H new ATOM 0 HB VAL A 109 17.279 -7.248 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.825 -9.589 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.217 -8.774 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.260 -9.944 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.537 -9.017 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 109 15.894 -9.363 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.219 -7.783 1.317 1.00 0.00 H new ATOM 1625 N ALA A 110 15.976 -6.772 3.588 1.00 0.00 N ATOM 1626 CA ALA A 110 15.062 -5.834 4.216 1.00 0.00 C ATOM 1627 C ALA A 110 15.838 -4.902 5.147 1.00 0.00 C ATOM 1628 O ALA A 110 15.390 -3.789 5.426 1.00 0.00 O ATOM 1629 CB ALA A 110 14.002 -6.616 4.990 1.00 0.00 C ATOM 0 H ALA A 110 15.866 -7.738 3.896 1.00 0.00 H new ATOM 0 HA ALA A 110 14.570 -5.225 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.311 -5.920 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.453 -7.261 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.485 -7.226 5.754 1.00 0.00 H new ATOM 1635 N LYS A 111 17.000 -5.355 5.631 1.00 0.00 N ATOM 1636 CA LYS A 111 17.852 -4.562 6.501 1.00 0.00 C ATOM 1637 C LYS A 111 18.528 -3.450 5.707 1.00 0.00 C ATOM 1638 O LYS A 111 18.628 -2.321 6.183 1.00 0.00 O ATOM 1639 CB LYS A 111 18.896 -5.497 7.116 1.00 0.00 C ATOM 1640 CG LYS A 111 19.764 -4.771 8.142 1.00 0.00 C ATOM 1641 CD LYS A 111 20.823 -5.751 8.655 1.00 0.00 C ATOM 1642 CE LYS A 111 21.574 -5.156 9.846 1.00 0.00 C ATOM 1643 NZ LYS A 111 22.291 -3.921 9.474 1.00 0.00 N ATOM 0 H LYS A 111 17.369 -6.283 5.426 1.00 0.00 H new ATOM 0 HA LYS A 111 17.261 -4.094 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.395 -6.339 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.528 -5.906 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.239 -3.901 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.152 -4.407 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.348 -6.687 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.526 -5.987 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.870 -4.941 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 111 22.284 -5.888 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 22.870 -3.601 10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 22.906 -4.109 8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.603 -3.181 9.227 1.00 0.00 H new ATOM 1657 N ALA A 112 18.989 -3.766 4.493 1.00 0.00 N ATOM 1658 CA ALA A 112 19.649 -2.787 3.640 1.00 0.00 C ATOM 1659 C ALA A 112 18.631 -1.815 3.047 1.00 0.00 C ATOM 1660 O ALA A 112 18.883 -0.613 2.999 1.00 0.00 O ATOM 1661 CB ALA A 112 20.396 -3.519 2.529 1.00 0.00 C ATOM 0 H ALA A 112 18.914 -4.697 4.083 1.00 0.00 H new ATOM 0 HA ALA A 112 20.356 -2.209 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 112 20.893 -2.793 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.140 -4.184 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.690 -4.103 1.939 1.00 0.00 H new ATOM 1667 N LEU A 113 17.483 -2.327 2.596 1.00 0.00 N ATOM 1668 CA LEU A 113 16.456 -1.497 1.984 1.00 0.00 C ATOM 1669 C LEU A 113 15.853 -0.551 3.026 1.00 0.00 C ATOM 1670 O LEU A 113 15.382 0.527 2.675 1.00 0.00 O ATOM 1671 CB LEU A 113 15.364 -2.403 1.391 1.00 0.00 C ATOM 1672 CG LEU A 113 15.598 -2.747 -0.087 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.247 -1.539 -0.946 1.00 0.00 C ATOM 1674 CD2 LEU A 113 17.046 -3.149 -0.380 1.00 0.00 C ATOM 0 H LEU A 113 17.246 -3.318 2.646 1.00 0.00 H new ATOM 0 HA LEU A 113 16.898 -0.896 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.314 -3.326 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.397 -1.910 1.494 1.00 0.00 H new ATOM 0 HG LEU A 113 14.961 -3.600 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.412 -1.779 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.200 -1.276 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.878 -0.696 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.152 -3.381 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 113 17.712 -2.326 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.307 -4.027 0.211 1.00 0.00 H new ATOM 1686 N ALA A 114 15.871 -0.943 4.304 1.00 0.00 N ATOM 1687 CA ALA A 114 15.399 -0.079 5.377 1.00 0.00 C ATOM 1688 C ALA A 114 16.437 1.001 5.682 1.00 0.00 C ATOM 1689 O ALA A 114 16.082 2.096 6.111 1.00 0.00 O ATOM 1690 CB ALA A 114 15.128 -0.921 6.624 1.00 0.00 C ATOM 0 H ALA A 114 16.208 -1.854 4.615 1.00 0.00 H new ATOM 0 HA ALA A 114 14.476 0.410 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.775 -0.276 7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.369 -1.670 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.047 -1.418 6.934 1.00 0.00 H new ATOM 1696 N ALA A 115 17.720 0.695 5.460 1.00 0.00 N ATOM 1697 CA ALA A 115 18.793 1.643 5.700 1.00 0.00 C ATOM 1698 C ALA A 115 18.798 2.745 4.634 1.00 0.00 C ATOM 1699 O ALA A 115 19.440 3.776 4.810 1.00 0.00 O ATOM 1700 CB ALA A 115 20.126 0.901 5.731 1.00 0.00 C ATOM 0 H ALA A 115 18.033 -0.211 5.112 1.00 0.00 H new ATOM 0 HA ALA A 115 18.635 2.126 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 115 20.933 1.611 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.111 0.159 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.287 0.403 4.775 1.00 0.00 H new ATOM 1706 N LEU A 116 18.079 2.534 3.525 1.00 0.00 N ATOM 1707 CA LEU A 116 17.911 3.566 2.514 1.00 0.00 C ATOM 1708 C LEU A 116 16.872 4.605 2.946 1.00 0.00 C ATOM 1709 O LEU A 116 16.787 5.676 2.344 1.00 0.00 O ATOM 1710 CB LEU A 116 17.493 2.926 1.185 1.00 0.00 C ATOM 1711 CG LEU A 116 18.529 1.921 0.679 1.00 0.00 C ATOM 1712 CD1 LEU A 116 18.068 1.374 -0.672 1.00 0.00 C ATOM 1713 CD2 LEU A 116 19.900 2.571 0.502 1.00 0.00 C ATOM 0 H LEU A 116 17.607 1.655 3.312 1.00 0.00 H new ATOM 0 HA LEU A 116 18.865 4.078 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.533 2.424 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.350 3.706 0.437 1.00 0.00 H new ATOM 0 HG LEU A 116 18.619 1.123 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.800 0.656 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 116 17.103 0.881 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.972 2.194 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.611 1.828 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.827 3.384 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.242 2.966 1.459 1.00 0.00 H new