USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 312 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.602 K(o=-0.6,f=-3.6!) USER MOD Single : A 9 HIS : no HE2:sc= -6.33! C(o=-6.3!,f=-7.7!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.867 K(o=-0.87,f=-2.4!) USER MOD Single : A 19 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.4) USER MOD Single : A 23 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.805 K(o=-0.8,f=-3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= -0.13 (180deg=-0.585) USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= -0.0505 (180deg=-0.221) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.577 27.544 -17.922 1.00 0.00 N ATOM 2 CA ALA A 1 -32.109 26.706 -16.787 1.00 0.00 C ATOM 3 C ALA A 1 -33.245 26.419 -15.813 1.00 0.00 C ATOM 4 O ALA A 1 -33.683 27.301 -15.075 1.00 0.00 O ATOM 5 CB ALA A 1 -30.956 27.391 -16.069 1.00 0.00 C ATOM 0 H1 ALA A 1 -31.784 27.725 -18.570 1.00 0.00 H new ATOM 0 H2 ALA A 1 -33.335 27.046 -18.432 1.00 0.00 H new ATOM 0 H3 ALA A 1 -32.940 28.448 -17.559 1.00 0.00 H new ATOM 0 HA ALA A 1 -31.760 25.754 -17.188 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -30.622 26.768 -15.240 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.131 27.541 -16.766 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -31.288 28.356 -15.687 1.00 0.00 H new ATOM 13 N ILE A 2 -33.720 25.177 -15.815 1.00 0.00 N ATOM 14 CA ILE A 2 -34.806 24.771 -14.931 1.00 0.00 C ATOM 15 C ILE A 2 -34.286 24.470 -13.529 1.00 0.00 C ATOM 16 O ILE A 2 -33.095 24.235 -13.336 1.00 0.00 O ATOM 17 CB ILE A 2 -35.540 23.527 -15.471 1.00 0.00 C ATOM 18 CG1 ILE A 2 -35.783 23.656 -16.979 1.00 0.00 C ATOM 19 CG2 ILE A 2 -36.857 23.326 -14.733 1.00 0.00 C ATOM 20 CD1 ILE A 2 -35.097 22.581 -17.794 1.00 0.00 C ATOM 0 H ILE A 2 -33.369 24.434 -16.420 1.00 0.00 H new ATOM 0 HA ILE A 2 -35.507 25.605 -14.888 1.00 0.00 H new ATOM 0 HB ILE A 2 -34.910 22.654 -15.300 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -36.855 23.618 -17.171 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -35.434 24.633 -17.313 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -37.363 22.444 -15.126 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -36.661 23.189 -13.670 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -37.491 24.201 -14.875 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -35.312 22.734 -18.852 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -34.020 22.632 -17.631 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -35.464 21.602 -17.487 1.00 0.00 H new ATOM 32 N GLY A 3 -35.187 24.482 -12.552 1.00 0.00 N ATOM 33 CA GLY A 3 -34.797 24.209 -11.181 1.00 0.00 C ATOM 34 C GLY A 3 -34.727 22.726 -10.867 1.00 0.00 C ATOM 35 O GLY A 3 -34.491 22.340 -9.723 1.00 0.00 O ATOM 0 H GLY A 3 -36.180 24.676 -12.685 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -33.824 24.661 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -35.508 24.684 -10.506 1.00 0.00 H new ATOM 39 N ASN A 4 -34.936 21.888 -11.881 1.00 0.00 N ATOM 40 CA ASN A 4 -34.894 20.442 -11.697 1.00 0.00 C ATOM 41 C ASN A 4 -33.813 19.807 -12.569 1.00 0.00 C ATOM 42 O ASN A 4 -33.266 18.758 -12.227 1.00 0.00 O ATOM 43 CB ASN A 4 -36.260 19.828 -12.021 1.00 0.00 C ATOM 44 CG ASN A 4 -36.959 19.289 -10.788 1.00 0.00 C ATOM 45 OD1 ASN A 4 -36.403 18.476 -10.051 1.00 0.00 O ATOM 46 ND2 ASN A 4 -38.186 19.743 -10.558 1.00 0.00 N ATOM 0 H ASN A 4 -35.136 22.187 -12.836 1.00 0.00 H new ATOM 0 HA ASN A 4 -34.650 20.241 -10.654 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -36.891 20.581 -12.493 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -36.131 19.022 -12.744 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -38.706 19.417 -9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -38.608 20.417 -11.196 1.00 0.00 H new ATOM 53 N MET A 5 -33.515 20.444 -13.699 1.00 0.00 N ATOM 54 CA MET A 5 -32.509 19.947 -14.627 1.00 0.00 C ATOM 55 C MET A 5 -31.245 19.490 -13.898 1.00 0.00 C ATOM 56 O MET A 5 -30.488 20.308 -13.373 1.00 0.00 O ATOM 57 CB MET A 5 -32.156 21.029 -15.650 1.00 0.00 C ATOM 58 CG MET A 5 -32.055 20.509 -17.074 1.00 0.00 C ATOM 59 SD MET A 5 -30.688 19.354 -17.293 1.00 0.00 S ATOM 60 CE MET A 5 -30.879 18.926 -19.023 1.00 0.00 C ATOM 0 H MET A 5 -33.962 21.312 -13.993 1.00 0.00 H new ATOM 0 HA MET A 5 -32.931 19.083 -15.141 1.00 0.00 H new ATOM 0 HB2 MET A 5 -32.911 21.814 -15.611 1.00 0.00 H new ATOM 0 HB3 MET A 5 -31.207 21.486 -15.371 1.00 0.00 H new ATOM 0 HG2 MET A 5 -32.989 20.017 -17.344 1.00 0.00 H new ATOM 0 HG3 MET A 5 -31.929 21.350 -17.756 1.00 0.00 H new ATOM 0 HE1 MET A 5 -30.103 18.216 -19.310 1.00 0.00 H new ATOM 0 HE2 MET A 5 -31.859 18.476 -19.180 1.00 0.00 H new ATOM 0 HE3 MET A 5 -30.791 19.826 -19.632 1.00 0.00 H new ATOM 70 N GLU A 6 -31.026 18.179 -13.873 1.00 0.00 N ATOM 71 CA GLU A 6 -29.857 17.608 -13.214 1.00 0.00 C ATOM 72 C GLU A 6 -29.795 18.024 -11.747 1.00 0.00 C ATOM 73 O GLU A 6 -28.718 18.285 -11.210 1.00 0.00 O ATOM 74 CB GLU A 6 -28.579 18.041 -13.936 1.00 0.00 C ATOM 75 CG GLU A 6 -27.316 17.409 -13.370 1.00 0.00 C ATOM 76 CD GLU A 6 -26.220 17.268 -14.407 1.00 0.00 C ATOM 77 OE1 GLU A 6 -26.307 16.345 -15.243 1.00 0.00 O ATOM 78 OE2 GLU A 6 -25.273 18.082 -14.382 1.00 0.00 O ATOM 0 H GLU A 6 -31.644 17.491 -14.303 1.00 0.00 H new ATOM 0 HA GLU A 6 -29.942 16.522 -13.257 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -28.663 17.783 -14.992 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -28.489 19.126 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -26.951 18.015 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -27.556 16.426 -12.965 1.00 0.00 H new ATOM 85 N GLN A 7 -30.955 18.081 -11.104 1.00 0.00 N ATOM 86 CA GLN A 7 -31.031 18.464 -9.698 1.00 0.00 C ATOM 87 C GLN A 7 -30.753 17.270 -8.785 1.00 0.00 C ATOM 88 O GLN A 7 -29.944 17.365 -7.864 1.00 0.00 O ATOM 89 CB GLN A 7 -32.401 19.064 -9.380 1.00 0.00 C ATOM 90 CG GLN A 7 -32.398 19.969 -8.161 1.00 0.00 C ATOM 91 CD GLN A 7 -31.572 21.225 -8.366 1.00 0.00 C ATOM 92 OE1 GLN A 7 -30.346 21.168 -8.457 1.00 0.00 O ATOM 93 NE2 GLN A 7 -32.244 22.368 -8.441 1.00 0.00 N ATOM 0 H GLN A 7 -31.856 17.867 -11.533 1.00 0.00 H new ATOM 0 HA GLN A 7 -30.265 19.218 -9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -32.749 19.631 -10.243 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -33.115 18.256 -9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -33.423 20.249 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -32.008 19.418 -7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -33.261 22.368 -8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -31.743 23.246 -8.579 1.00 0.00 H new ATOM 102 N PRO A 8 -31.419 16.124 -9.026 1.00 0.00 N ATOM 103 CA PRO A 8 -31.228 14.921 -8.216 1.00 0.00 C ATOM 104 C PRO A 8 -29.997 14.126 -8.657 1.00 0.00 C ATOM 105 O PRO A 8 -29.033 14.699 -9.162 1.00 0.00 O ATOM 106 CB PRO A 8 -32.521 14.145 -8.471 1.00 0.00 C ATOM 107 CG PRO A 8 -32.905 14.500 -9.866 1.00 0.00 C ATOM 108 CD PRO A 8 -32.405 15.906 -10.106 1.00 0.00 C ATOM 0 HA PRO A 8 -31.049 15.135 -7.162 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -32.366 13.071 -8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -33.299 14.427 -7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -32.462 13.804 -10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -33.986 14.445 -9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -31.947 16.004 -11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -33.217 16.632 -10.058 1.00 0.00 H new ATOM 116 N HIS A 9 -30.029 12.808 -8.462 1.00 0.00 N ATOM 117 CA HIS A 9 -28.911 11.947 -8.839 1.00 0.00 C ATOM 118 C HIS A 9 -27.724 12.158 -7.904 1.00 0.00 C ATOM 119 O HIS A 9 -26.727 12.774 -8.276 1.00 0.00 O ATOM 120 CB HIS A 9 -28.479 12.202 -10.291 1.00 0.00 C ATOM 121 CG HIS A 9 -29.581 12.688 -11.185 1.00 0.00 C ATOM 122 ND1 HIS A 9 -29.739 14.012 -11.532 1.00 0.00 N ATOM 123 CD2 HIS A 9 -30.583 12.017 -11.803 1.00 0.00 C ATOM 124 CE1 HIS A 9 -30.789 14.138 -12.321 1.00 0.00 C ATOM 125 NE2 HIS A 9 -31.318 12.943 -12.502 1.00 0.00 N ATOM 0 H HIS A 9 -30.818 12.314 -8.045 1.00 0.00 H new ATOM 0 HA HIS A 9 -29.250 10.915 -8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -27.673 12.936 -10.295 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -28.072 11.279 -10.704 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -29.137 14.777 -11.226 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -30.769 10.954 -11.755 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -31.153 15.062 -12.746 1.00 0.00 H new ATOM 134 N MET A 10 -27.842 11.643 -6.684 1.00 0.00 N ATOM 135 CA MET A 10 -26.780 11.776 -5.693 1.00 0.00 C ATOM 136 C MET A 10 -26.581 10.467 -4.934 1.00 0.00 C ATOM 137 O MET A 10 -26.515 10.453 -3.705 1.00 0.00 O ATOM 138 CB MET A 10 -27.107 12.904 -4.713 1.00 0.00 C ATOM 139 CG MET A 10 -27.529 14.197 -5.393 1.00 0.00 C ATOM 140 SD MET A 10 -26.128 15.144 -6.017 1.00 0.00 S ATOM 141 CE MET A 10 -26.652 16.814 -5.634 1.00 0.00 C ATOM 0 H MET A 10 -28.661 11.130 -6.358 1.00 0.00 H new ATOM 0 HA MET A 10 -25.855 12.017 -6.216 1.00 0.00 H new ATOM 0 HB2 MET A 10 -27.905 12.576 -4.047 1.00 0.00 H new ATOM 0 HB3 MET A 10 -26.233 13.099 -4.091 1.00 0.00 H new ATOM 0 HG2 MET A 10 -28.202 13.966 -6.218 1.00 0.00 H new ATOM 0 HG3 MET A 10 -28.090 14.808 -4.686 1.00 0.00 H new ATOM 0 HE1 MET A 10 -25.888 17.519 -5.961 1.00 0.00 H new ATOM 0 HE2 MET A 10 -27.588 17.029 -6.150 1.00 0.00 H new ATOM 0 HE3 MET A 10 -26.800 16.911 -4.558 1.00 0.00 H new ATOM 151 N ASP A 11 -26.485 9.368 -5.677 1.00 0.00 N ATOM 152 CA ASP A 11 -26.295 8.053 -5.075 1.00 0.00 C ATOM 153 C ASP A 11 -27.468 7.696 -4.168 1.00 0.00 C ATOM 154 O ASP A 11 -27.295 7.034 -3.145 1.00 0.00 O ATOM 155 CB ASP A 11 -24.989 8.017 -4.279 1.00 0.00 C ATOM 156 CG ASP A 11 -24.496 6.604 -4.039 1.00 0.00 C ATOM 157 OD1 ASP A 11 -25.338 5.685 -3.975 1.00 0.00 O ATOM 158 OD2 ASP A 11 -23.267 6.417 -3.917 1.00 0.00 O ATOM 0 H ASP A 11 -26.536 9.362 -6.696 1.00 0.00 H new ATOM 0 HA ASP A 11 -26.243 7.317 -5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -24.225 8.579 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -25.137 8.515 -3.321 1.00 0.00 H new ATOM 163 N SER A 12 -28.660 8.140 -4.551 1.00 0.00 N ATOM 164 CA SER A 12 -29.863 7.867 -3.773 1.00 0.00 C ATOM 165 C SER A 12 -29.754 8.466 -2.373 1.00 0.00 C ATOM 166 O SER A 12 -29.765 7.745 -1.374 1.00 0.00 O ATOM 167 CB SER A 12 -30.106 6.360 -3.681 1.00 0.00 C ATOM 168 OG SER A 12 -30.721 5.868 -4.860 1.00 0.00 O ATOM 0 H SER A 12 -28.819 8.690 -5.395 1.00 0.00 H new ATOM 0 HA SER A 12 -30.708 8.332 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 12 -29.159 5.845 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 12 -30.738 6.143 -2.820 1.00 0.00 H new ATOM 0 HG SER A 12 -30.864 4.902 -4.776 1.00 0.00 H new ATOM 174 N ARG A 13 -29.649 9.790 -2.308 1.00 0.00 N ATOM 175 CA ARG A 13 -29.538 10.485 -1.032 1.00 0.00 C ATOM 176 C ARG A 13 -28.304 10.021 -0.264 1.00 0.00 C ATOM 177 O ARG A 13 -28.418 9.377 0.779 1.00 0.00 O ATOM 178 CB ARG A 13 -30.796 10.254 -0.192 1.00 0.00 C ATOM 179 CG ARG A 13 -31.873 11.304 -0.405 1.00 0.00 C ATOM 180 CD ARG A 13 -32.898 10.850 -1.434 1.00 0.00 C ATOM 181 NE ARG A 13 -33.850 11.907 -1.761 1.00 0.00 N ATOM 182 CZ ARG A 13 -33.538 12.992 -2.466 1.00 0.00 C ATOM 183 NH1 ARG A 13 -32.303 13.167 -2.918 1.00 0.00 N ATOM 184 NH2 ARG A 13 -34.467 13.905 -2.720 1.00 0.00 N ATOM 0 H ARG A 13 -29.639 10.402 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 13 -29.436 11.551 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -31.206 9.272 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -30.520 10.238 0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -32.373 11.511 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -31.414 12.236 -0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -32.384 10.531 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -33.436 9.983 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 13 -34.810 11.808 -1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -31.586 12.468 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -32.071 14.001 -3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -35.418 13.775 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -34.230 14.737 -3.260 1.00 0.00 H new ATOM 198 N ILE A 14 -27.127 10.362 -0.788 1.00 0.00 N ATOM 199 CA ILE A 14 -25.859 9.995 -0.164 1.00 0.00 C ATOM 200 C ILE A 14 -25.810 8.508 0.205 1.00 0.00 C ATOM 201 O ILE A 14 -26.803 7.791 0.082 1.00 0.00 O ATOM 202 CB ILE A 14 -25.592 10.878 1.077 1.00 0.00 C ATOM 203 CG1 ILE A 14 -24.101 10.893 1.420 1.00 0.00 C ATOM 204 CG2 ILE A 14 -26.415 10.423 2.278 1.00 0.00 C ATOM 205 CD1 ILE A 14 -23.600 12.246 1.876 1.00 0.00 C ATOM 0 H ILE A 14 -27.027 10.897 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.070 10.170 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 14 -25.902 11.893 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -23.909 10.160 2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.532 10.580 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -26.201 11.067 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -27.476 10.483 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -26.157 9.394 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -22.536 12.183 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -23.760 12.979 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -24.143 12.553 2.770 1.00 0.00 H new ATOM 217 N GLY A 15 -24.643 8.048 0.651 1.00 0.00 N ATOM 218 CA GLY A 15 -24.488 6.656 1.024 1.00 0.00 C ATOM 219 C GLY A 15 -23.403 5.951 0.234 1.00 0.00 C ATOM 220 O GLY A 15 -23.345 4.723 0.215 1.00 0.00 O ATOM 0 H GLY A 15 -23.803 8.617 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -24.255 6.594 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -25.435 6.137 0.874 1.00 0.00 H new ATOM 224 N TRP A 16 -22.543 6.724 -0.421 1.00 0.00 N ATOM 225 CA TRP A 16 -21.457 6.155 -1.214 1.00 0.00 C ATOM 226 C TRP A 16 -20.685 5.120 -0.403 1.00 0.00 C ATOM 227 O TRP A 16 -20.310 4.062 -0.912 1.00 0.00 O ATOM 228 CB TRP A 16 -20.506 7.244 -1.726 1.00 0.00 C ATOM 229 CG TRP A 16 -20.109 8.249 -0.687 1.00 0.00 C ATOM 230 CD1 TRP A 16 -20.901 9.214 -0.141 1.00 0.00 C ATOM 231 CD2 TRP A 16 -18.818 8.399 -0.084 1.00 0.00 C ATOM 232 NE1 TRP A 16 -20.189 9.950 0.774 1.00 0.00 N ATOM 233 CE2 TRP A 16 -18.906 9.470 0.826 1.00 0.00 C ATOM 234 CE3 TRP A 16 -17.599 7.730 -0.221 1.00 0.00 C ATOM 235 CZ2 TRP A 16 -17.822 9.885 1.593 1.00 0.00 C ATOM 236 CZ3 TRP A 16 -16.522 8.143 0.540 1.00 0.00 C ATOM 237 CH2 TRP A 16 -16.641 9.212 1.438 1.00 0.00 C ATOM 0 H TRP A 16 -22.576 7.743 -0.419 1.00 0.00 H new ATOM 0 HA TRP A 16 -21.903 5.664 -2.079 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -19.607 6.770 -2.120 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -20.982 7.765 -2.557 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -21.939 9.377 -0.392 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -20.555 10.727 1.325 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -17.500 6.904 -0.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -17.910 10.709 2.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -15.574 7.634 0.441 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -15.782 9.511 2.020 1.00 0.00 H new ATOM 248 N LEU A 17 -20.475 5.427 0.871 1.00 0.00 N ATOM 249 CA LEU A 17 -19.773 4.521 1.774 1.00 0.00 C ATOM 250 C LEU A 17 -20.653 3.326 2.108 1.00 0.00 C ATOM 251 O LEU A 17 -20.172 2.262 2.499 1.00 0.00 O ATOM 252 CB LEU A 17 -19.373 5.246 3.060 1.00 0.00 C ATOM 253 CG LEU A 17 -18.284 6.303 2.888 1.00 0.00 C ATOM 254 CD1 LEU A 17 -18.584 7.526 3.739 1.00 0.00 C ATOM 255 CD2 LEU A 17 -16.921 5.727 3.239 1.00 0.00 C ATOM 0 H LEU A 17 -20.781 6.298 1.304 1.00 0.00 H new ATOM 0 HA LEU A 17 -18.870 4.171 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -20.258 5.722 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -19.031 4.508 3.785 1.00 0.00 H new ATOM 0 HG LEU A 17 -18.268 6.611 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -17.796 8.267 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -19.540 7.953 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -18.631 7.236 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -16.158 6.494 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -16.925 5.389 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -16.702 4.884 2.583 1.00 0.00 H new ATOM 267 N HIS A 18 -21.952 3.525 1.943 1.00 0.00 N ATOM 268 CA HIS A 18 -22.944 2.508 2.207 1.00 0.00 C ATOM 269 C HIS A 18 -23.285 1.737 0.935 1.00 0.00 C ATOM 270 O HIS A 18 -24.339 1.108 0.840 1.00 0.00 O ATOM 271 CB HIS A 18 -24.191 3.176 2.762 1.00 0.00 C ATOM 272 CG HIS A 18 -23.936 4.026 3.969 1.00 0.00 C ATOM 273 ND1 HIS A 18 -23.042 5.080 3.975 1.00 0.00 N ATOM 274 CD2 HIS A 18 -24.465 3.978 5.214 1.00 0.00 C ATOM 275 CE1 HIS A 18 -23.033 5.638 5.171 1.00 0.00 C ATOM 276 NE2 HIS A 18 -23.886 4.990 5.941 1.00 0.00 N ATOM 0 H HIS A 18 -22.345 4.408 1.618 1.00 0.00 H new ATOM 0 HA HIS A 18 -22.546 1.798 2.932 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -24.639 3.793 1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -24.920 2.407 3.018 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -25.204 3.275 5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -22.429 6.482 5.469 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -24.084 5.205 6.918 1.00 0.00 H new ATOM 285 N ASN A 19 -22.386 1.798 -0.038 1.00 0.00 N ATOM 286 CA ASN A 19 -22.578 1.115 -1.310 1.00 0.00 C ATOM 287 C ASN A 19 -21.335 0.312 -1.673 1.00 0.00 C ATOM 288 O ASN A 19 -21.426 -0.851 -2.066 1.00 0.00 O ATOM 289 CB ASN A 19 -22.887 2.133 -2.410 1.00 0.00 C ATOM 290 CG ASN A 19 -23.102 1.484 -3.763 1.00 0.00 C ATOM 291 OD1 ASN A 19 -23.386 0.291 -3.855 1.00 0.00 O ATOM 292 ND2 ASN A 19 -22.967 2.274 -4.822 1.00 0.00 N ATOM 0 H ASN A 19 -21.511 2.317 0.031 1.00 0.00 H new ATOM 0 HA ASN A 19 -23.420 0.429 -1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -23.778 2.698 -2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -22.066 2.847 -2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -23.100 1.896 -5.760 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -22.730 3.258 -4.697 1.00 0.00 H new ATOM 299 N LEU A 20 -20.172 0.941 -1.532 1.00 0.00 N ATOM 300 CA LEU A 20 -18.908 0.284 -1.839 1.00 0.00 C ATOM 301 C LEU A 20 -18.643 -0.864 -0.868 1.00 0.00 C ATOM 302 O LEU A 20 -17.911 -1.801 -1.188 1.00 0.00 O ATOM 303 CB LEU A 20 -17.758 1.293 -1.778 1.00 0.00 C ATOM 304 CG LEU A 20 -17.641 2.058 -0.459 1.00 0.00 C ATOM 305 CD1 LEU A 20 -16.675 1.354 0.482 1.00 0.00 C ATOM 306 CD2 LEU A 20 -17.193 3.490 -0.712 1.00 0.00 C ATOM 0 H LEU A 20 -20.080 1.904 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.973 -0.123 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.821 0.766 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.881 2.012 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.623 2.083 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.604 1.912 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -17.037 0.347 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.691 1.298 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.115 4.020 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.221 3.485 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.921 3.992 -1.349 1.00 0.00 H new ATOM 318 N GLY A 21 -19.240 -0.786 0.318 1.00 0.00 N ATOM 319 CA GLY A 21 -19.051 -1.827 1.311 1.00 0.00 C ATOM 320 C GLY A 21 -19.596 -3.168 0.859 1.00 0.00 C ATOM 321 O GLY A 21 -19.031 -4.214 1.176 1.00 0.00 O ATOM 0 H GLY A 21 -19.850 -0.022 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.988 -1.926 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -19.542 -1.533 2.239 1.00 0.00 H new ATOM 325 N ASP A 22 -20.699 -3.137 0.115 1.00 0.00 N ATOM 326 CA ASP A 22 -21.321 -4.360 -0.380 1.00 0.00 C ATOM 327 C ASP A 22 -20.876 -4.656 -1.809 1.00 0.00 C ATOM 328 O ASP A 22 -20.789 -5.815 -2.214 1.00 0.00 O ATOM 329 CB ASP A 22 -22.846 -4.242 -0.320 1.00 0.00 C ATOM 330 CG ASP A 22 -23.426 -4.898 0.917 1.00 0.00 C ATOM 331 OD1 ASP A 22 -22.968 -6.002 1.274 1.00 0.00 O ATOM 332 OD2 ASP A 22 -24.341 -4.305 1.530 1.00 0.00 O ATOM 0 H ASP A 22 -21.179 -2.279 -0.157 1.00 0.00 H new ATOM 0 HA ASP A 22 -21.003 -5.185 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.128 -3.189 -0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.279 -4.701 -1.209 1.00 0.00 H new ATOM 337 N GLN A 23 -20.596 -3.602 -2.568 1.00 0.00 N ATOM 338 CA GLN A 23 -20.161 -3.749 -3.952 1.00 0.00 C ATOM 339 C GLN A 23 -18.753 -4.330 -4.020 1.00 0.00 C ATOM 340 O GLN A 23 -18.393 -4.998 -4.991 1.00 0.00 O ATOM 341 CB GLN A 23 -20.201 -2.398 -4.667 1.00 0.00 C ATOM 342 CG GLN A 23 -21.609 -1.886 -4.922 1.00 0.00 C ATOM 343 CD GLN A 23 -22.245 -2.517 -6.145 1.00 0.00 C ATOM 344 OE1 GLN A 23 -22.542 -3.711 -6.158 1.00 0.00 O ATOM 345 NE2 GLN A 23 -22.459 -1.715 -7.182 1.00 0.00 N ATOM 0 H GLN A 23 -20.663 -2.636 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.844 -4.437 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -19.659 -1.664 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -19.677 -2.484 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -22.229 -2.089 -4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.581 -0.804 -5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.197 -0.731 -7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.885 -2.083 -8.032 1.00 0.00 H new ATOM 354 N ILE A 24 -17.958 -4.071 -2.988 1.00 0.00 N ATOM 355 CA ILE A 24 -16.588 -4.566 -2.932 1.00 0.00 C ATOM 356 C ILE A 24 -16.554 -6.092 -2.956 1.00 0.00 C ATOM 357 O ILE A 24 -15.766 -6.692 -3.688 1.00 0.00 O ATOM 358 CB ILE A 24 -15.862 -4.059 -1.670 1.00 0.00 C ATOM 359 CG1 ILE A 24 -14.405 -4.523 -1.668 1.00 0.00 C ATOM 360 CG2 ILE A 24 -16.579 -4.536 -0.416 1.00 0.00 C ATOM 361 CD1 ILE A 24 -13.622 -4.050 -0.464 1.00 0.00 C ATOM 0 H ILE A 24 -18.240 -3.520 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.073 -4.184 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 24 -15.874 -2.969 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.379 -5.612 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.916 -4.163 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -16.053 -4.169 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -17.600 -4.155 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -16.598 -5.626 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.598 -4.416 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.617 -2.960 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.087 -4.432 0.445 1.00 0.00 H new ATOM 373 N GLY A 25 -17.411 -6.715 -2.154 1.00 0.00 N ATOM 374 CA GLY A 25 -17.457 -8.164 -2.104 1.00 0.00 C ATOM 375 C GLY A 25 -16.379 -8.749 -1.214 1.00 0.00 C ATOM 376 O GLY A 25 -15.198 -8.446 -1.378 1.00 0.00 O ATOM 0 H GLY A 25 -18.074 -6.243 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.435 -8.481 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.347 -8.563 -3.112 1.00 0.00 H new ATOM 380 N LYS A 26 -16.787 -9.593 -0.273 1.00 0.00 N ATOM 381 CA LYS A 26 -15.849 -10.226 0.647 1.00 0.00 C ATOM 382 C LYS A 26 -15.471 -11.624 0.153 1.00 0.00 C ATOM 383 O LYS A 26 -16.309 -12.526 0.132 1.00 0.00 O ATOM 384 CB LYS A 26 -16.440 -10.313 2.061 1.00 0.00 C ATOM 385 CG LYS A 26 -17.959 -10.233 2.116 1.00 0.00 C ATOM 386 CD LYS A 26 -18.469 -10.307 3.546 1.00 0.00 C ATOM 387 CE LYS A 26 -19.603 -9.324 3.787 1.00 0.00 C ATOM 388 NZ LYS A 26 -20.451 -9.726 4.943 1.00 0.00 N ATOM 0 H LYS A 26 -17.762 -9.855 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.951 -9.609 0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.121 -11.250 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.024 -9.507 2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -18.292 -9.302 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -18.389 -11.047 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -18.813 -11.319 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.652 -10.097 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.191 -8.331 3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -20.220 -9.255 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -21.212 -9.030 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.866 -10.662 4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.868 -9.767 5.803 1.00 0.00 H new ATOM 402 N PRO A 27 -14.204 -11.824 -0.255 1.00 0.00 N ATOM 403 CA PRO A 27 -13.730 -13.121 -0.752 1.00 0.00 C ATOM 404 C PRO A 27 -13.681 -14.186 0.339 1.00 0.00 C ATOM 405 O PRO A 27 -13.732 -15.383 0.052 1.00 0.00 O ATOM 406 CB PRO A 27 -12.319 -12.816 -1.262 1.00 0.00 C ATOM 407 CG PRO A 27 -11.890 -11.613 -0.500 1.00 0.00 C ATOM 408 CD PRO A 27 -13.136 -10.805 -0.270 1.00 0.00 C ATOM 0 HA PRO A 27 -14.396 -13.527 -1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.646 -13.655 -1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.319 -12.625 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.427 -11.894 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.150 -11.040 -1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.091 -10.256 0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.291 -10.071 -1.061 1.00 0.00 H new ATOM 416 N TYR A 28 -13.581 -13.749 1.591 1.00 0.00 N ATOM 417 CA TYR A 28 -13.526 -14.673 2.718 1.00 0.00 C ATOM 418 C TYR A 28 -13.929 -13.979 4.017 1.00 0.00 C ATOM 419 O TYR A 28 -13.331 -14.211 5.067 1.00 0.00 O ATOM 420 CB TYR A 28 -12.121 -15.273 2.848 1.00 0.00 C ATOM 421 CG TYR A 28 -11.102 -14.341 3.468 1.00 0.00 C ATOM 422 CD1 TYR A 28 -10.993 -13.019 3.053 1.00 0.00 C ATOM 423 CD2 TYR A 28 -10.245 -14.784 4.469 1.00 0.00 C ATOM 424 CE1 TYR A 28 -10.063 -12.167 3.618 1.00 0.00 C ATOM 425 CE2 TYR A 28 -9.312 -13.938 5.037 1.00 0.00 C ATOM 426 CZ TYR A 28 -9.225 -12.631 4.608 1.00 0.00 C ATOM 427 OH TYR A 28 -8.298 -11.785 5.172 1.00 0.00 O ATOM 0 H TYR A 28 -13.537 -12.763 1.850 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.236 -15.478 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -12.180 -16.180 3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.772 -15.569 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.646 -12.651 2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.310 -15.807 4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.994 -11.142 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.654 -14.299 5.814 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.787 -12.268 5.855 1.00 0.00 H new ATOM 437 N ASN A 29 -14.950 -13.130 3.935 1.00 0.00 N ATOM 438 CA ASN A 29 -15.441 -12.404 5.098 1.00 0.00 C ATOM 439 C ASN A 29 -14.336 -11.541 5.711 1.00 0.00 C ATOM 440 O ASN A 29 -14.250 -10.344 5.435 1.00 0.00 O ATOM 441 CB ASN A 29 -15.994 -13.390 6.131 1.00 0.00 C ATOM 442 CG ASN A 29 -16.309 -12.737 7.464 1.00 0.00 C ATOM 443 OD1 ASN A 29 -16.373 -11.511 7.569 1.00 0.00 O ATOM 444 ND2 ASN A 29 -16.509 -13.555 8.491 1.00 0.00 N ATOM 0 H ASN A 29 -15.454 -12.929 3.071 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.244 -11.739 4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.899 -13.852 5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.270 -14.189 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.725 -13.174 9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.446 -14.564 8.359 1.00 0.00 H new ATOM 451 N SER A 30 -13.497 -12.153 6.543 1.00 0.00 N ATOM 452 CA SER A 30 -12.404 -11.437 7.189 1.00 0.00 C ATOM 453 C SER A 30 -11.570 -12.381 8.050 1.00 0.00 C ATOM 454 O SER A 30 -11.235 -12.064 9.192 1.00 0.00 O ATOM 455 CB SER A 30 -12.951 -10.293 8.046 1.00 0.00 C ATOM 456 OG SER A 30 -12.015 -9.234 8.142 1.00 0.00 O ATOM 0 H SER A 30 -13.554 -13.142 6.785 1.00 0.00 H new ATOM 0 HA SER A 30 -11.763 -11.023 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.880 -9.923 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.189 -10.663 9.043 1.00 0.00 H new ATOM 0 HG SER A 30 -12.389 -8.515 8.693 1.00 0.00 H new ATOM 462 N SER A 31 -11.235 -13.541 7.494 1.00 0.00 N ATOM 463 CA SER A 31 -10.439 -14.531 8.211 1.00 0.00 C ATOM 464 C SER A 31 -11.166 -15.011 9.464 1.00 0.00 C ATOM 465 O SER A 31 -10.874 -14.563 10.573 1.00 0.00 O ATOM 466 CB SER A 31 -9.077 -13.945 8.590 1.00 0.00 C ATOM 467 OG SER A 31 -8.284 -14.900 9.275 1.00 0.00 O ATOM 0 H SER A 31 -11.502 -13.818 6.550 1.00 0.00 H new ATOM 0 HA SER A 31 -10.288 -15.385 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.557 -13.614 7.691 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.218 -13.066 9.219 1.00 0.00 H new ATOM 0 HG SER A 31 -7.418 -14.502 9.505 1.00 0.00 H new ATOM 473 N GLY A 32 -12.115 -15.922 9.279 1.00 0.00 N ATOM 474 CA GLY A 32 -12.869 -16.445 10.402 1.00 0.00 C ATOM 475 C GLY A 32 -13.414 -17.834 10.139 1.00 0.00 C ATOM 476 O GLY A 32 -14.608 -18.083 10.307 1.00 0.00 O ATOM 0 H GLY A 32 -12.375 -16.307 8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.230 -16.470 11.284 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.695 -15.770 10.626 1.00 0.00 H new ATOM 480 N LEU A 33 -12.537 -18.744 9.724 1.00 0.00 N ATOM 481 CA LEU A 33 -12.920 -20.104 9.436 1.00 0.00 C ATOM 482 C LEU A 33 -13.503 -20.780 10.675 1.00 0.00 C ATOM 483 O LEU A 33 -12.792 -21.033 11.647 1.00 0.00 O ATOM 484 CB LEU A 33 -11.711 -20.894 8.922 1.00 0.00 C ATOM 485 CG LEU A 33 -10.372 -20.148 8.845 1.00 0.00 C ATOM 486 CD1 LEU A 33 -9.222 -21.135 8.724 1.00 0.00 C ATOM 487 CD2 LEU A 33 -10.367 -19.180 7.671 1.00 0.00 C ATOM 0 H LEU A 33 -11.546 -18.550 9.581 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.689 -20.087 8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.577 -21.764 9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.949 -21.267 7.926 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.243 -19.576 9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.279 -20.590 8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.213 -21.792 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.348 -21.732 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.410 -18.660 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.518 -19.732 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.170 -18.453 7.795 1.00 0.00 H new ATOM 499 N GLY A 34 -14.800 -21.068 10.631 1.00 0.00 N ATOM 500 CA GLY A 34 -15.455 -21.711 11.755 1.00 0.00 C ATOM 501 C GLY A 34 -16.907 -22.040 11.470 1.00 0.00 C ATOM 502 O GLY A 34 -17.390 -23.112 11.833 1.00 0.00 O ATOM 0 H GLY A 34 -15.409 -20.868 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.921 -22.627 12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.398 -21.059 12.626 1.00 0.00 H new ATOM 506 N GLY A 35 -17.604 -21.115 10.818 1.00 0.00 N ATOM 507 CA GLY A 35 -19.002 -21.332 10.494 1.00 0.00 C ATOM 508 C GLY A 35 -19.857 -21.551 11.729 1.00 0.00 C ATOM 509 O GLY A 35 -20.125 -22.694 12.104 1.00 0.00 O ATOM 0 H GLY A 35 -17.226 -20.220 10.508 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -19.381 -20.473 9.941 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -19.089 -22.197 9.837 1.00 0.00 H new ATOM 513 N PRO A 36 -20.305 -20.468 12.386 1.00 0.00 N ATOM 514 CA PRO A 36 -21.139 -20.563 13.589 1.00 0.00 C ATOM 515 C PRO A 36 -22.523 -21.131 13.292 1.00 0.00 C ATOM 516 O PRO A 36 -23.078 -21.887 14.087 1.00 0.00 O ATOM 517 CB PRO A 36 -21.246 -19.111 14.067 1.00 0.00 C ATOM 518 CG PRO A 36 -21.009 -18.290 12.846 1.00 0.00 C ATOM 519 CD PRO A 36 -20.034 -19.067 12.008 1.00 0.00 C ATOM 0 HA PRO A 36 -20.708 -21.237 14.329 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -22.227 -18.907 14.497 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -20.508 -18.893 14.839 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.939 -18.119 12.304 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -20.607 -17.311 13.106 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -20.195 -18.899 10.943 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -19.004 -18.784 12.223 1.00 0.00 H new ATOM 527 N SER A 37 -23.073 -20.760 12.139 1.00 0.00 N ATOM 528 CA SER A 37 -24.391 -21.236 11.737 1.00 0.00 C ATOM 529 C SER A 37 -24.417 -22.758 11.658 1.00 0.00 C ATOM 530 O SER A 37 -25.387 -23.396 12.068 1.00 0.00 O ATOM 531 CB SER A 37 -24.782 -20.635 10.385 1.00 0.00 C ATOM 532 OG SER A 37 -26.177 -20.395 10.318 1.00 0.00 O ATOM 0 H SER A 37 -22.627 -20.133 11.469 1.00 0.00 H new ATOM 0 HA SER A 37 -25.112 -20.917 12.490 1.00 0.00 H new ATOM 0 HB2 SER A 37 -24.241 -19.702 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 37 -24.487 -21.312 9.583 1.00 0.00 H new ATOM 0 HG SER A 37 -26.401 -20.009 9.445 1.00 0.00 H new ATOM 538 N ILE A 38 -23.342 -23.337 11.130 1.00 0.00 N ATOM 539 CA ILE A 38 -23.238 -24.783 10.999 1.00 0.00 C ATOM 540 C ILE A 38 -23.043 -25.445 12.359 1.00 0.00 C ATOM 541 O ILE A 38 -23.875 -26.238 12.801 1.00 0.00 O ATOM 542 CB ILE A 38 -22.075 -25.180 10.074 1.00 0.00 C ATOM 543 CG1 ILE A 38 -22.156 -24.413 8.753 1.00 0.00 C ATOM 544 CG2 ILE A 38 -22.081 -26.682 9.822 1.00 0.00 C ATOM 545 CD1 ILE A 38 -20.840 -23.799 8.330 1.00 0.00 C ATOM 0 H ILE A 38 -22.530 -22.824 10.786 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.174 -25.130 10.561 1.00 0.00 H new ATOM 0 HB ILE A 38 -21.138 -24.919 10.567 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -22.501 -25.089 7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -22.903 -23.624 8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -21.251 -26.944 9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -21.975 -27.210 10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -23.021 -26.968 9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -20.972 -23.271 7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -20.503 -23.098 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -20.095 -24.585 8.205 1.00 0.00 H new ATOM 557 N LYS A 39 -21.938 -25.114 13.020 1.00 0.00 N ATOM 558 CA LYS A 39 -21.632 -25.678 14.331 1.00 0.00 C ATOM 559 C LYS A 39 -22.841 -25.610 15.259 1.00 0.00 C ATOM 560 O LYS A 39 -23.002 -26.448 16.147 1.00 0.00 O ATOM 561 CB LYS A 39 -20.447 -24.944 14.960 1.00 0.00 C ATOM 562 CG LYS A 39 -19.869 -25.651 16.176 1.00 0.00 C ATOM 563 CD LYS A 39 -18.843 -24.785 16.888 1.00 0.00 C ATOM 564 CE LYS A 39 -18.221 -25.516 18.066 1.00 0.00 C ATOM 565 NZ LYS A 39 -17.695 -26.851 17.676 1.00 0.00 N ATOM 0 H LYS A 39 -21.240 -24.458 12.670 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.370 -26.727 14.191 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.663 -24.828 14.211 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -20.763 -23.942 15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -20.673 -25.906 16.866 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.405 -26.588 15.867 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.062 -24.492 16.186 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.318 -23.868 17.237 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.412 -24.914 18.480 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.965 -25.635 18.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.815 -27.043 18.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.399 -27.582 17.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.502 -26.863 16.654 1.00 0.00 H new ATOM 579 N ASP A 40 -23.690 -24.610 15.047 1.00 0.00 N ATOM 580 CA ASP A 40 -24.887 -24.441 15.863 1.00 0.00 C ATOM 581 C ASP A 40 -26.055 -25.232 15.284 1.00 0.00 C ATOM 582 O ASP A 40 -26.965 -25.633 16.008 1.00 0.00 O ATOM 583 CB ASP A 40 -25.256 -22.959 15.968 1.00 0.00 C ATOM 584 CG ASP A 40 -24.506 -22.254 17.081 1.00 0.00 C ATOM 585 OD1 ASP A 40 -23.261 -22.346 17.110 1.00 0.00 O ATOM 586 OD2 ASP A 40 -25.165 -21.609 17.925 1.00 0.00 O ATOM 0 H ASP A 40 -23.572 -23.906 14.319 1.00 0.00 H new ATOM 0 HA ASP A 40 -24.673 -24.823 16.861 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -25.041 -22.466 15.020 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -26.328 -22.866 16.140 1.00 0.00 H new ATOM 591 N LYS A 41 -26.015 -25.461 13.976 1.00 0.00 N ATOM 592 CA LYS A 41 -27.062 -26.214 13.302 1.00 0.00 C ATOM 593 C LYS A 41 -26.917 -27.704 13.595 1.00 0.00 C ATOM 594 O LYS A 41 -27.840 -28.486 13.365 1.00 0.00 O ATOM 595 CB LYS A 41 -27.008 -25.965 11.794 1.00 0.00 C ATOM 596 CG LYS A 41 -28.151 -26.611 11.030 1.00 0.00 C ATOM 597 CD LYS A 41 -29.486 -25.969 11.376 1.00 0.00 C ATOM 598 CE LYS A 41 -29.498 -24.487 11.033 1.00 0.00 C ATOM 599 NZ LYS A 41 -29.298 -23.635 12.239 1.00 0.00 N ATOM 0 H LYS A 41 -25.268 -25.135 13.363 1.00 0.00 H new ATOM 0 HA LYS A 41 -28.028 -25.877 13.678 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -27.021 -24.891 11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -26.063 -26.343 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.970 -26.522 9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -28.188 -27.676 11.260 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -30.285 -26.475 10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -29.689 -26.099 12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -28.714 -24.276 10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -30.447 -24.231 10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -29.946 -22.822 12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -29.493 -24.193 13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -28.316 -23.294 12.264 1.00 0.00 H new ATOM 613 N TYR A 42 -25.751 -28.090 14.111 1.00 0.00 N ATOM 614 CA TYR A 42 -25.486 -29.489 14.441 1.00 0.00 C ATOM 615 C TYR A 42 -24.591 -29.594 15.672 1.00 0.00 C ATOM 616 O TYR A 42 -23.355 -29.527 15.511 1.00 0.00 O ATOM 617 CB TYR A 42 -24.831 -30.211 13.259 1.00 0.00 C ATOM 618 CG TYR A 42 -25.264 -29.688 11.908 1.00 0.00 C ATOM 619 CD1 TYR A 42 -24.615 -28.609 11.326 1.00 0.00 C ATOM 620 CD2 TYR A 42 -26.322 -30.269 11.220 1.00 0.00 C ATOM 621 CE1 TYR A 42 -25.006 -28.122 10.095 1.00 0.00 C ATOM 622 CE2 TYR A 42 -26.718 -29.789 9.987 1.00 0.00 C ATOM 623 CZ TYR A 42 -26.058 -28.714 9.428 1.00 0.00 C ATOM 624 OH TYR A 42 -26.448 -28.232 8.201 1.00 0.00 O ATOM 625 OXT TYR A 42 -25.136 -29.742 16.787 1.00 1.00 O ATOM 0 H TYR A 42 -24.977 -27.456 14.309 1.00 0.00 H new ATOM 0 HA TYR A 42 -26.441 -29.967 14.659 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -23.748 -30.119 13.344 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -25.066 -31.274 13.319 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -23.790 -28.142 11.844 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -26.843 -31.109 11.656 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -24.490 -27.281 9.656 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -27.540 -30.253 9.463 1.00 0.00 H new ATOM 0 HH TYR A 42 -27.202 -28.761 7.866 1.00 0.00 H new TER 635 TYR A 42