USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 GLN :FLIP amide:sc= -1.46 F(o=-8.7!,f=-3.8) USER MOD Set 1.2: B 1 MET CE :methyl -157:sc= -2.3 (180deg=-2.3) USER MOD Set 2.1: A 20 GLN : amide:sc= -0.165 K(o=-3.8,f=-6.3!) USER MOD Set 2.2: A 23 GLN : amide:sc= -3.67! C(o=-3.8!,f=-6.7!) USER MOD Set 3.1: A 15 SER OG : rot -117:sc= -3.55! USER MOD Set 3.2: A 18 THR OG1 : rot 112:sc= -0.993! USER MOD Single : A 1 MET CE :methyl -153:sc= -3.64! (180deg=-4.83!) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.577 (180deg=0.535) USER MOD Single : A 4 ASN : amide:sc= -3.27! C(o=-3.3!,f=-18!) USER MOD Single : A 5 LYS NZ :NH3+ -107:sc= -0.117 (180deg=-0.932) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.728 X(o=-0.73,f=-0.47) USER MOD Single : A 25 GLN : amide:sc= -4! C(o=-4!,f=-7!) USER MOD Single : A 27 MET CE :methyl -172:sc= -11.1! (180deg=-11.7!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 50:sc= -10.2! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -136:sc= 0.861 (180deg=-0.83) USER MOD Single : B 4 ASN :FLIP amide:sc= -0.0434 F(o=-0.85,f=-0.043) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.41) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= -2.88! USER MOD Single : B 20 GLN : amide:sc= -0.421 K(o=-0.42,f=-4.1!) USER MOD Single : B 21 ASN : amide:sc= -0.0025 K(o=-0.0025,f=-1.6!) USER MOD Single : B 23 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.5!) USER MOD Single : B 25 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.2!) USER MOD Single : B 27 MET CE :methyl -134:sc= -12! (180deg=-16.3!) USER MOD Single : B 41 TYR OH : rot 130:sc= -0.0992 USER MOD Single : B 43 SER OG : rot -165:sc= -5.8! USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.014 6.990 -2.820 1.00 0.00 N ATOM 2 CA MET A 1 -1.520 8.030 -3.761 1.00 0.00 C ATOM 3 C MET A 1 -2.999 7.777 -4.067 1.00 0.00 C ATOM 4 O MET A 1 -3.468 6.656 -4.056 1.00 0.00 O ATOM 5 CB MET A 1 -0.651 7.873 -5.020 1.00 0.00 C ATOM 6 CG MET A 1 -1.312 8.534 -6.235 1.00 0.00 C ATOM 7 SD MET A 1 -0.270 9.891 -6.829 1.00 0.00 S ATOM 8 CE MET A 1 0.572 8.974 -8.143 1.00 0.00 C ATOM 0 H1 MET A 1 -0.041 7.223 -2.536 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.623 6.959 -1.977 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.025 6.062 -3.290 1.00 0.00 H new ATOM 0 HA MET A 1 -1.456 9.040 -3.356 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.328 8.320 -4.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.487 6.815 -5.223 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.457 7.800 -7.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.299 8.911 -5.965 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.552 9.415 -8.324 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.693 7.934 -7.841 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.021 9.020 -9.056 1.00 0.00 H new ATOM 20 N GLU A 2 -3.733 8.815 -4.348 1.00 0.00 N ATOM 21 CA GLU A 2 -5.168 8.657 -4.674 1.00 0.00 C ATOM 22 C GLU A 2 -5.402 9.286 -6.048 1.00 0.00 C ATOM 23 O GLU A 2 -5.602 10.476 -6.181 1.00 0.00 O ATOM 24 CB GLU A 2 -5.905 9.412 -3.561 1.00 0.00 C ATOM 25 CG GLU A 2 -7.298 9.803 -4.032 1.00 0.00 C ATOM 26 CD GLU A 2 -7.933 10.762 -3.024 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.665 10.614 -1.844 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.679 11.629 -3.451 1.00 0.00 O ATOM 0 H GLU A 2 -3.392 9.776 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.512 7.624 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.975 8.787 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.343 10.303 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.241 10.276 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.918 8.913 -4.142 1.00 0.00 H new ATOM 35 N VAL A 3 -5.326 8.495 -7.077 1.00 0.00 N ATOM 36 CA VAL A 3 -5.498 9.038 -8.451 1.00 0.00 C ATOM 37 C VAL A 3 -6.923 8.794 -8.959 1.00 0.00 C ATOM 38 O VAL A 3 -7.657 7.988 -8.421 1.00 0.00 O ATOM 39 CB VAL A 3 -4.479 8.272 -9.284 1.00 0.00 C ATOM 40 CG1 VAL A 3 -3.138 8.229 -8.542 1.00 0.00 C ATOM 41 CG2 VAL A 3 -4.985 6.850 -9.518 1.00 0.00 C ATOM 0 H VAL A 3 -5.151 7.491 -7.027 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.346 10.116 -8.498 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.341 8.771 -10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.409 7.681 -9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.781 9.245 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.269 7.730 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.258 6.299 -10.114 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.122 6.350 -8.559 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.937 6.885 -10.048 1.00 0.00 H new ATOM 51 N ASN A 4 -7.320 9.492 -9.989 1.00 0.00 N ATOM 52 CA ASN A 4 -8.698 9.310 -10.529 1.00 0.00 C ATOM 53 C ASN A 4 -8.683 8.364 -11.739 1.00 0.00 C ATOM 54 O ASN A 4 -7.641 8.021 -12.261 1.00 0.00 O ATOM 55 CB ASN A 4 -9.149 10.713 -10.943 1.00 0.00 C ATOM 56 CG ASN A 4 -8.266 11.225 -12.080 1.00 0.00 C ATOM 57 OD1 ASN A 4 -8.432 10.835 -13.219 1.00 0.00 O ATOM 58 ND2 ASN A 4 -7.326 12.091 -11.818 1.00 0.00 N ATOM 0 H ASN A 4 -6.749 10.180 -10.480 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.371 8.865 -9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.191 10.691 -11.261 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.090 11.390 -10.091 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.731 12.440 -12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.186 12.419 -10.862 1.00 0.00 H new ATOM 65 N LYS A 5 -9.836 7.928 -12.171 1.00 0.00 N ATOM 66 CA LYS A 5 -9.924 6.988 -13.322 1.00 0.00 C ATOM 67 C LYS A 5 -8.863 7.255 -14.393 1.00 0.00 C ATOM 68 O LYS A 5 -8.391 6.340 -15.036 1.00 0.00 O ATOM 69 CB LYS A 5 -11.338 7.148 -13.901 1.00 0.00 C ATOM 70 CG LYS A 5 -11.985 8.505 -13.559 1.00 0.00 C ATOM 71 CD LYS A 5 -11.043 9.653 -13.907 1.00 0.00 C ATOM 72 CE LYS A 5 -11.855 10.932 -14.127 1.00 0.00 C ATOM 73 NZ LYS A 5 -12.519 11.203 -12.819 1.00 0.00 N ATOM 0 H LYS A 5 -10.735 8.189 -11.766 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.736 5.969 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.295 7.036 -14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.971 6.345 -13.523 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.920 8.616 -14.107 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.232 8.539 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.321 9.802 -13.104 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.475 9.411 -14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.212 11.761 -14.421 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.589 10.801 -14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.533 10.986 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.090 10.607 -12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.397 12.205 -12.569 1.00 0.00 H new ATOM 87 N LYS A 6 -8.477 8.474 -14.599 1.00 0.00 N ATOM 88 CA LYS A 6 -7.445 8.739 -15.636 1.00 0.00 C ATOM 89 C LYS A 6 -6.069 8.477 -15.053 1.00 0.00 C ATOM 90 O LYS A 6 -5.348 7.603 -15.490 1.00 0.00 O ATOM 91 CB LYS A 6 -7.589 10.218 -15.995 1.00 0.00 C ATOM 92 CG LYS A 6 -9.047 10.540 -16.307 1.00 0.00 C ATOM 93 CD LYS A 6 -9.098 11.593 -17.417 1.00 0.00 C ATOM 94 CE LYS A 6 -10.550 11.974 -17.696 1.00 0.00 C ATOM 95 NZ LYS A 6 -10.476 13.294 -18.382 1.00 0.00 N ATOM 0 H LYS A 6 -8.825 9.294 -14.102 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.568 8.102 -16.512 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.240 10.837 -15.168 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.964 10.454 -16.856 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.573 9.638 -16.619 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.550 10.910 -15.414 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.530 12.475 -17.121 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.633 11.204 -18.323 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.040 11.230 -18.324 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.125 12.041 -16.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.437 13.623 -18.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.011 13.984 -17.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.928 13.198 -19.261 1.00 0.00 H new ATOM 109 N GLN A 7 -5.703 9.230 -14.060 1.00 0.00 N ATOM 110 CA GLN A 7 -4.376 9.027 -13.440 1.00 0.00 C ATOM 111 C GLN A 7 -4.200 7.554 -13.076 1.00 0.00 C ATOM 112 O GLN A 7 -3.115 7.032 -13.137 1.00 0.00 O ATOM 113 CB GLN A 7 -4.374 9.914 -12.198 1.00 0.00 C ATOM 114 CG GLN A 7 -4.410 11.381 -12.623 1.00 0.00 C ATOM 115 CD GLN A 7 -3.146 11.713 -13.416 1.00 0.00 C ATOM 116 OE1 GLN A 7 -1.996 11.252 -13.008 1.00 0.00 O flip ATOM 117 NE2 GLN A 7 -3.206 12.396 -14.419 1.00 0.00 N flip ATOM 0 H GLN A 7 -6.267 9.976 -13.653 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.553 9.286 -14.107 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.236 9.684 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.484 9.719 -11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.294 11.573 -13.231 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.481 12.023 -11.745 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.105 12.756 -14.738 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.357 12.609 -14.942 1.00 0.00 H new ATOM 126 N LEU A 8 -5.262 6.879 -12.713 1.00 0.00 N ATOM 127 CA LEU A 8 -5.141 5.426 -12.372 1.00 0.00 C ATOM 128 C LEU A 8 -4.897 4.623 -13.647 1.00 0.00 C ATOM 129 O LEU A 8 -3.905 3.933 -13.775 1.00 0.00 O ATOM 130 CB LEU A 8 -6.480 5.020 -11.745 1.00 0.00 C ATOM 131 CG LEU A 8 -6.646 3.494 -11.836 1.00 0.00 C ATOM 132 CD1 LEU A 8 -5.396 2.803 -11.280 1.00 0.00 C ATOM 133 CD2 LEU A 8 -7.868 3.064 -11.024 1.00 0.00 C ATOM 0 H LEU A 8 -6.202 7.267 -12.638 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.312 5.239 -11.689 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.518 5.339 -10.704 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.301 5.517 -12.261 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.782 3.209 -12.879 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.518 1.722 -11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.524 3.106 -11.860 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.256 3.089 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.986 1.982 -11.089 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.732 3.353 -9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.759 3.550 -11.422 1.00 0.00 H new ATOM 145 N ALA A 9 -5.782 4.716 -14.606 1.00 0.00 N ATOM 146 CA ALA A 9 -5.554 3.958 -15.865 1.00 0.00 C ATOM 147 C ALA A 9 -4.230 4.439 -16.453 1.00 0.00 C ATOM 148 O ALA A 9 -3.498 3.692 -17.073 1.00 0.00 O ATOM 149 CB ALA A 9 -6.737 4.289 -16.777 1.00 0.00 C ATOM 0 H ALA A 9 -6.636 5.273 -14.572 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.493 2.879 -15.725 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.626 3.759 -17.723 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.665 3.981 -16.295 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.763 5.363 -16.963 1.00 0.00 H new ATOM 155 N ASP A 10 -3.900 5.683 -16.209 1.00 0.00 N ATOM 156 CA ASP A 10 -2.599 6.224 -16.692 1.00 0.00 C ATOM 157 C ASP A 10 -1.497 5.663 -15.800 1.00 0.00 C ATOM 158 O ASP A 10 -0.471 5.202 -16.262 1.00 0.00 O ATOM 159 CB ASP A 10 -2.705 7.738 -16.520 1.00 0.00 C ATOM 160 CG ASP A 10 -3.648 8.309 -17.581 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.359 7.531 -18.194 1.00 0.00 O ATOM 162 OD2 ASP A 10 -3.640 9.516 -17.762 1.00 0.00 O ATOM 0 H ASP A 10 -4.479 6.346 -15.694 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.376 5.961 -17.726 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.076 7.976 -15.523 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.719 8.195 -16.611 1.00 0.00 H new ATOM 167 N ILE A 11 -1.729 5.676 -14.516 1.00 0.00 N ATOM 168 CA ILE A 11 -0.735 5.122 -13.562 1.00 0.00 C ATOM 169 C ILE A 11 -0.417 3.701 -13.982 1.00 0.00 C ATOM 170 O ILE A 11 0.697 3.239 -13.862 1.00 0.00 O ATOM 171 CB ILE A 11 -1.448 5.182 -12.191 1.00 0.00 C ATOM 172 CG1 ILE A 11 -0.921 6.353 -11.421 1.00 0.00 C ATOM 173 CG2 ILE A 11 -1.189 3.950 -11.338 1.00 0.00 C ATOM 174 CD1 ILE A 11 -1.648 6.435 -10.089 1.00 0.00 C ATOM 0 H ILE A 11 -2.574 6.051 -14.086 1.00 0.00 H new ATOM 0 HA ILE A 11 0.211 5.662 -13.528 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.516 5.255 -12.396 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.151 6.245 -11.259 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.067 7.273 -11.987 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.714 4.048 -10.388 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.548 3.063 -11.861 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.119 3.854 -11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.271 7.285 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.716 6.561 -10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.479 5.518 -9.525 1.00 0.00 H new ATOM 186 N PHE A 12 -1.391 2.999 -14.478 1.00 0.00 N ATOM 187 CA PHE A 12 -1.141 1.606 -14.909 1.00 0.00 C ATOM 188 C PHE A 12 -1.054 1.543 -16.431 1.00 0.00 C ATOM 189 O PHE A 12 -1.029 0.479 -17.019 1.00 0.00 O ATOM 190 CB PHE A 12 -2.344 0.804 -14.411 1.00 0.00 C ATOM 191 CG PHE A 12 -2.354 0.706 -12.897 1.00 0.00 C ATOM 192 CD1 PHE A 12 -1.388 1.346 -12.114 1.00 0.00 C ATOM 193 CD2 PHE A 12 -3.347 -0.051 -12.281 1.00 0.00 C ATOM 194 CE1 PHE A 12 -1.427 1.222 -10.716 1.00 0.00 C ATOM 195 CE2 PHE A 12 -3.391 -0.174 -10.892 1.00 0.00 C ATOM 196 CZ PHE A 12 -2.431 0.462 -10.106 1.00 0.00 C ATOM 0 H PHE A 12 -2.347 3.331 -14.603 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.204 1.214 -14.512 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.265 1.276 -14.753 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.320 -0.197 -14.842 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.614 1.934 -12.584 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.091 -0.548 -12.885 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.681 1.714 -10.110 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.168 -0.761 -10.426 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.462 0.368 -9.031 1.00 0.00 H new ATOM 206 N GLY A 13 -1.018 2.674 -17.077 1.00 0.00 N ATOM 207 CA GLY A 13 -0.946 2.675 -18.561 1.00 0.00 C ATOM 208 C GLY A 13 -2.082 1.812 -19.103 1.00 0.00 C ATOM 209 O GLY A 13 -2.056 1.369 -20.234 1.00 0.00 O ATOM 0 H GLY A 13 -1.035 3.596 -16.641 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.028 3.692 -18.943 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.016 2.286 -18.894 1.00 0.00 H new ATOM 213 N ALA A 14 -3.086 1.577 -18.301 1.00 0.00 N ATOM 214 CA ALA A 14 -4.231 0.752 -18.766 1.00 0.00 C ATOM 215 C ALA A 14 -5.246 1.646 -19.460 1.00 0.00 C ATOM 216 O ALA A 14 -5.019 2.821 -19.665 1.00 0.00 O ATOM 217 CB ALA A 14 -4.866 0.163 -17.497 1.00 0.00 C ATOM 0 H ALA A 14 -3.160 1.922 -17.344 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.914 -0.024 -19.463 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.719 -0.458 -17.771 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.130 -0.444 -16.970 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.200 0.972 -16.848 1.00 0.00 H new ATOM 223 N SER A 15 -6.381 1.110 -19.776 1.00 0.00 N ATOM 224 CA SER A 15 -7.435 1.937 -20.402 1.00 0.00 C ATOM 225 C SER A 15 -8.521 2.142 -19.363 1.00 0.00 C ATOM 226 O SER A 15 -8.946 1.220 -18.700 1.00 0.00 O ATOM 227 CB SER A 15 -7.941 1.140 -21.590 1.00 0.00 C ATOM 228 OG SER A 15 -7.900 -0.246 -21.279 1.00 0.00 O ATOM 0 H SER A 15 -6.626 0.131 -19.627 1.00 0.00 H new ATOM 0 HA SER A 15 -7.088 2.915 -20.737 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.960 1.439 -21.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.328 1.346 -22.468 1.00 0.00 H new ATOM 0 HG SER A 15 -7.278 -0.699 -21.886 1.00 0.00 H new ATOM 234 N ILE A 16 -8.943 3.342 -19.181 1.00 0.00 N ATOM 235 CA ILE A 16 -9.970 3.595 -18.137 1.00 0.00 C ATOM 236 C ILE A 16 -11.127 2.611 -18.275 1.00 0.00 C ATOM 237 O ILE A 16 -11.736 2.223 -17.298 1.00 0.00 O ATOM 238 CB ILE A 16 -10.429 5.035 -18.332 1.00 0.00 C ATOM 239 CG1 ILE A 16 -9.198 5.926 -18.600 1.00 0.00 C ATOM 240 CG2 ILE A 16 -11.143 5.474 -17.057 1.00 0.00 C ATOM 241 CD1 ILE A 16 -9.387 7.324 -18.007 1.00 0.00 C ATOM 0 H ILE A 16 -8.630 4.162 -19.701 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.568 3.454 -17.134 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.107 5.121 -19.181 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.310 5.463 -18.170 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.029 6.004 -19.674 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.484 6.503 -17.167 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.000 4.825 -16.878 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.456 5.407 -16.214 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.503 7.929 -18.212 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.261 7.795 -18.457 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.531 7.246 -16.929 1.00 0.00 H new ATOM 253 N ARG A 17 -11.423 2.170 -19.464 1.00 0.00 N ATOM 254 CA ARG A 17 -12.519 1.182 -19.609 1.00 0.00 C ATOM 255 C ARG A 17 -12.151 -0.026 -18.746 1.00 0.00 C ATOM 256 O ARG A 17 -12.997 -0.694 -18.185 1.00 0.00 O ATOM 257 CB ARG A 17 -12.572 0.875 -21.111 1.00 0.00 C ATOM 258 CG ARG A 17 -11.943 -0.477 -21.426 1.00 0.00 C ATOM 259 CD ARG A 17 -10.435 -0.329 -21.333 1.00 0.00 C ATOM 260 NE ARG A 17 -9.973 -0.240 -22.747 1.00 0.00 N ATOM 261 CZ ARG A 17 -9.409 -1.268 -23.318 1.00 0.00 C ATOM 262 NH1 ARG A 17 -9.705 -2.476 -22.928 1.00 0.00 N ATOM 263 NH2 ARG A 17 -8.550 -1.086 -24.283 1.00 0.00 N ATOM 0 H ARG A 17 -10.960 2.447 -20.329 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.502 1.518 -19.279 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.608 0.883 -21.449 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.051 1.658 -21.662 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.295 -1.233 -20.724 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.232 -0.808 -22.423 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.159 0.563 -20.770 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.985 -1.180 -20.823 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.098 0.627 -23.270 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.379 -2.618 -22.175 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.263 -3.279 -23.376 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.320 -0.141 -24.590 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.108 -1.889 -24.731 1.00 0.00 H new ATOM 277 N THR A 18 -10.874 -0.257 -18.596 1.00 0.00 N ATOM 278 CA THR A 18 -10.404 -1.364 -17.721 1.00 0.00 C ATOM 279 C THR A 18 -10.636 -0.910 -16.290 1.00 0.00 C ATOM 280 O THR A 18 -11.046 -1.671 -15.435 1.00 0.00 O ATOM 281 CB THR A 18 -8.908 -1.520 -18.015 1.00 0.00 C ATOM 282 OG1 THR A 18 -8.729 -1.915 -19.367 1.00 0.00 O ATOM 283 CG2 THR A 18 -8.296 -2.576 -17.091 1.00 0.00 C ATOM 0 H THR A 18 -10.133 0.279 -19.047 1.00 0.00 H new ATOM 0 HA THR A 18 -10.915 -2.313 -17.884 1.00 0.00 H new ATOM 0 HB THR A 18 -8.412 -0.565 -17.842 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.303 -1.187 -19.867 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.233 -2.678 -17.309 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.426 -2.270 -16.053 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.793 -3.533 -17.252 1.00 0.00 H new ATOM 291 N ILE A 19 -10.418 0.355 -16.039 1.00 0.00 N ATOM 292 CA ILE A 19 -10.670 0.891 -14.684 1.00 0.00 C ATOM 293 C ILE A 19 -12.171 0.828 -14.423 1.00 0.00 C ATOM 294 O ILE A 19 -12.619 0.589 -13.320 1.00 0.00 O ATOM 295 CB ILE A 19 -10.197 2.342 -14.720 1.00 0.00 C ATOM 296 CG1 ILE A 19 -8.742 2.399 -15.186 1.00 0.00 C ATOM 297 CG2 ILE A 19 -10.307 2.941 -13.320 1.00 0.00 C ATOM 298 CD1 ILE A 19 -7.890 1.504 -14.291 1.00 0.00 C ATOM 0 H ILE A 19 -10.076 1.034 -16.719 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.156 0.334 -13.901 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.818 2.910 -15.413 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.667 2.072 -16.223 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.376 3.425 -15.148 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.970 3.977 -13.340 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.345 2.903 -12.988 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.685 2.371 -12.630 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.852 1.542 -14.621 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.956 1.851 -13.260 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.252 0.478 -14.352 1.00 0.00 H new ATOM 310 N GLN A 20 -12.952 1.009 -15.456 1.00 0.00 N ATOM 311 CA GLN A 20 -14.423 0.928 -15.299 1.00 0.00 C ATOM 312 C GLN A 20 -14.773 -0.527 -15.036 1.00 0.00 C ATOM 313 O GLN A 20 -15.765 -0.846 -14.411 1.00 0.00 O ATOM 314 CB GLN A 20 -15.002 1.398 -16.634 1.00 0.00 C ATOM 315 CG GLN A 20 -14.602 2.854 -16.881 1.00 0.00 C ATOM 316 CD GLN A 20 -15.600 3.782 -16.187 1.00 0.00 C ATOM 317 OE1 GLN A 20 -16.629 3.340 -15.712 1.00 0.00 O ATOM 318 NE2 GLN A 20 -15.339 5.058 -16.107 1.00 0.00 N ATOM 0 H GLN A 20 -12.628 1.210 -16.402 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.813 1.533 -14.480 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.635 0.767 -17.444 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.088 1.305 -16.624 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.596 3.035 -16.502 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.581 3.060 -17.951 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.476 5.428 -16.505 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.998 5.685 -15.646 1.00 0.00 H new ATOM 327 N ASN A 21 -13.931 -1.414 -15.495 1.00 0.00 N ATOM 328 CA ASN A 21 -14.174 -2.856 -15.255 1.00 0.00 C ATOM 329 C ASN A 21 -13.588 -3.225 -13.901 1.00 0.00 C ATOM 330 O ASN A 21 -13.969 -4.198 -13.281 1.00 0.00 O ATOM 331 CB ASN A 21 -13.449 -3.585 -16.382 1.00 0.00 C ATOM 332 CG ASN A 21 -14.326 -3.592 -17.635 1.00 0.00 C ATOM 333 OD1 ASN A 21 -15.455 -4.041 -17.598 1.00 0.00 O ATOM 334 ND2 ASN A 21 -13.852 -3.113 -18.752 1.00 0.00 N ATOM 0 H ASN A 21 -13.087 -1.197 -16.025 1.00 0.00 H new ATOM 0 HA ASN A 21 -15.232 -3.117 -15.244 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.499 -3.095 -16.594 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.220 -4.607 -16.080 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.429 -3.115 -19.593 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.905 -2.736 -18.784 1.00 0.00 H new ATOM 341 N TRP A 22 -12.674 -2.428 -13.435 1.00 0.00 N ATOM 342 CA TRP A 22 -12.060 -2.685 -12.116 1.00 0.00 C ATOM 343 C TRP A 22 -13.035 -2.265 -11.022 1.00 0.00 C ATOM 344 O TRP A 22 -13.328 -3.013 -10.110 1.00 0.00 O ATOM 345 CB TRP A 22 -10.817 -1.803 -12.103 1.00 0.00 C ATOM 346 CG TRP A 22 -9.773 -2.407 -12.979 1.00 0.00 C ATOM 347 CD1 TRP A 22 -9.925 -3.530 -13.712 1.00 0.00 C ATOM 348 CD2 TRP A 22 -8.415 -1.953 -13.197 1.00 0.00 C ATOM 349 NE1 TRP A 22 -8.739 -3.793 -14.368 1.00 0.00 N ATOM 350 CE2 TRP A 22 -7.778 -2.845 -14.087 1.00 0.00 C ATOM 351 CE3 TRP A 22 -7.686 -0.860 -12.715 1.00 0.00 C ATOM 352 CZ2 TRP A 22 -6.453 -2.659 -14.483 1.00 0.00 C ATOM 353 CZ3 TRP A 22 -6.357 -0.666 -13.109 1.00 0.00 C ATOM 354 CH2 TRP A 22 -5.741 -1.566 -13.994 1.00 0.00 C ATOM 0 H TRP A 22 -12.325 -1.601 -13.920 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.816 -3.734 -11.946 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.065 -0.801 -12.452 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.440 -1.702 -11.085 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.825 -4.124 -13.775 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.592 -4.591 -14.985 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.152 -0.162 -12.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.984 -3.356 -15.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.802 0.180 -12.731 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.716 -1.411 -14.295 1.00 0.00 H new ATOM 365 N GLN A 23 -13.532 -1.062 -11.107 1.00 0.00 N ATOM 366 CA GLN A 23 -14.483 -0.569 -10.074 1.00 0.00 C ATOM 367 C GLN A 23 -15.641 -1.551 -9.926 1.00 0.00 C ATOM 368 O GLN A 23 -16.356 -1.534 -8.945 1.00 0.00 O ATOM 369 CB GLN A 23 -14.982 0.779 -10.598 1.00 0.00 C ATOM 370 CG GLN A 23 -15.384 0.643 -12.066 1.00 0.00 C ATOM 371 CD GLN A 23 -16.898 0.812 -12.197 1.00 0.00 C ATOM 372 OE1 GLN A 23 -17.620 0.698 -11.228 1.00 0.00 O ATOM 373 NE2 GLN A 23 -17.412 1.082 -13.366 1.00 0.00 N ATOM 0 H GLN A 23 -13.319 -0.397 -11.851 1.00 0.00 H new ATOM 0 HA GLN A 23 -14.017 -0.471 -9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.833 1.117 -10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.202 1.533 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.870 1.394 -12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.082 -0.332 -12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.805 1.178 -14.180 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.421 1.197 -13.465 1.00 0.00 H new ATOM 382 N GLU A 24 -15.836 -2.414 -10.887 1.00 0.00 N ATOM 383 CA GLU A 24 -16.956 -3.384 -10.766 1.00 0.00 C ATOM 384 C GLU A 24 -16.418 -4.806 -10.657 1.00 0.00 C ATOM 385 O GLU A 24 -17.152 -5.767 -10.770 1.00 0.00 O ATOM 386 CB GLU A 24 -17.782 -3.211 -12.040 1.00 0.00 C ATOM 387 CG GLU A 24 -18.572 -1.904 -11.962 1.00 0.00 C ATOM 388 CD GLU A 24 -20.070 -2.214 -11.943 1.00 0.00 C ATOM 389 OE1 GLU A 24 -20.428 -3.284 -11.478 1.00 0.00 O ATOM 390 OE2 GLU A 24 -20.834 -1.377 -12.396 1.00 0.00 O ATOM 0 H GLU A 24 -15.277 -2.488 -11.737 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.555 -3.207 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -17.128 -3.201 -12.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.463 -4.053 -12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.293 -1.351 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.332 -1.270 -12.815 1.00 0.00 H new ATOM 397 N GLN A 25 -15.147 -4.951 -10.428 1.00 0.00 N ATOM 398 CA GLN A 25 -14.577 -6.311 -10.300 1.00 0.00 C ATOM 399 C GLN A 25 -14.221 -6.575 -8.827 1.00 0.00 C ATOM 400 O GLN A 25 -13.955 -7.694 -8.436 1.00 0.00 O ATOM 401 CB GLN A 25 -13.347 -6.304 -11.224 1.00 0.00 C ATOM 402 CG GLN A 25 -12.114 -6.788 -10.470 1.00 0.00 C ATOM 403 CD GLN A 25 -10.899 -6.779 -11.400 1.00 0.00 C ATOM 404 OE1 GLN A 25 -10.350 -5.735 -11.690 1.00 0.00 O ATOM 405 NE2 GLN A 25 -10.455 -7.907 -11.882 1.00 0.00 N ATOM 0 H GLN A 25 -14.480 -4.186 -10.324 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.262 -7.109 -10.587 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.529 -6.945 -12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.176 -5.297 -11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.928 -6.146 -9.609 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.283 -7.795 -10.087 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.917 -8.783 -11.638 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.646 -7.913 -12.503 1.00 0.00 H new ATOM 414 N GLY A 26 -14.230 -5.553 -8.008 1.00 0.00 N ATOM 415 CA GLY A 26 -13.907 -5.755 -6.563 1.00 0.00 C ATOM 416 C GLY A 26 -12.637 -4.993 -6.190 1.00 0.00 C ATOM 417 O GLY A 26 -11.787 -5.507 -5.489 1.00 0.00 O ATOM 0 H GLY A 26 -14.446 -4.593 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.738 -5.413 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.775 -6.817 -6.358 1.00 0.00 H new ATOM 421 N MET A 27 -12.476 -3.786 -6.656 1.00 0.00 N ATOM 422 CA MET A 27 -11.227 -3.037 -6.319 1.00 0.00 C ATOM 423 C MET A 27 -11.432 -2.030 -5.181 1.00 0.00 C ATOM 424 O MET A 27 -12.544 -1.673 -4.844 1.00 0.00 O ATOM 425 CB MET A 27 -10.847 -2.319 -7.608 1.00 0.00 C ATOM 426 CG MET A 27 -11.546 -0.968 -7.674 1.00 0.00 C ATOM 427 SD MET A 27 -11.513 -0.391 -9.372 1.00 0.00 S ATOM 428 CE MET A 27 -10.557 1.086 -9.079 1.00 0.00 C ATOM 0 H MET A 27 -13.142 -3.289 -7.247 1.00 0.00 H new ATOM 0 HA MET A 27 -10.450 -3.714 -5.964 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.767 -2.182 -7.653 1.00 0.00 H new ATOM 0 HB3 MET A 27 -11.128 -2.926 -8.469 1.00 0.00 H new ATOM 0 HG2 MET A 27 -12.575 -1.056 -7.324 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.048 -0.252 -7.021 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.530 1.688 -9.987 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.015 1.662 -8.275 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.541 0.811 -8.795 1.00 0.00 H new ATOM 438 N PRO A 28 -10.318 -1.605 -4.646 1.00 0.00 N ATOM 439 CA PRO A 28 -10.303 -0.623 -3.547 1.00 0.00 C ATOM 440 C PRO A 28 -10.228 0.812 -4.090 1.00 0.00 C ATOM 441 O PRO A 28 -9.208 1.478 -3.984 1.00 0.00 O ATOM 442 CB PRO A 28 -9.020 -0.968 -2.802 1.00 0.00 C ATOM 443 CG PRO A 28 -8.124 -1.624 -3.815 1.00 0.00 C ATOM 444 CD PRO A 28 -8.964 -2.017 -5.009 1.00 0.00 C ATOM 0 HA PRO A 28 -11.198 -0.665 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.554 -0.073 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.221 -1.637 -1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.330 -0.942 -4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.643 -2.502 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.625 -1.517 -5.916 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.911 -3.089 -5.198 1.00 0.00 H new ATOM 452 N VAL A 29 -11.299 1.313 -4.639 1.00 0.00 N ATOM 453 CA VAL A 29 -11.252 2.723 -5.134 1.00 0.00 C ATOM 454 C VAL A 29 -11.135 3.635 -3.911 1.00 0.00 C ATOM 455 O VAL A 29 -11.190 3.180 -2.785 1.00 0.00 O ATOM 456 CB VAL A 29 -12.513 3.007 -5.989 1.00 0.00 C ATOM 457 CG1 VAL A 29 -13.409 1.788 -6.123 1.00 0.00 C ATOM 458 CG2 VAL A 29 -13.304 4.149 -5.392 1.00 0.00 C ATOM 0 H VAL A 29 -12.185 0.825 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.394 2.906 -5.780 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.165 3.275 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.278 2.040 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.855 0.980 -6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.738 1.468 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.187 4.338 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.612 3.888 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.684 5.045 -5.363 1.00 0.00 H new ATOM 468 N LEU A 30 -10.942 4.899 -4.109 1.00 0.00 N ATOM 469 CA LEU A 30 -10.787 5.804 -2.948 1.00 0.00 C ATOM 470 C LEU A 30 -12.123 6.411 -2.533 1.00 0.00 C ATOM 471 O LEU A 30 -12.630 6.128 -1.469 1.00 0.00 O ATOM 472 CB LEU A 30 -9.823 6.882 -3.452 1.00 0.00 C ATOM 473 CG LEU A 30 -8.474 6.783 -2.730 1.00 0.00 C ATOM 474 CD1 LEU A 30 -8.560 7.537 -1.407 1.00 0.00 C ATOM 475 CD2 LEU A 30 -8.119 5.313 -2.472 1.00 0.00 C ATOM 0 H LEU A 30 -10.885 5.347 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.417 5.288 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.675 6.771 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.256 7.869 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.696 7.224 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.604 7.471 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.797 8.583 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.341 7.096 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.159 5.255 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.890 4.856 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.055 4.782 -3.422 1.00 0.00 H new ATOM 606 N LEU A 40 -12.115 7.807 -6.851 1.00 0.00 N ATOM 607 CA LEU A 40 -10.641 7.906 -6.867 1.00 0.00 C ATOM 608 C LEU A 40 -10.079 6.508 -6.793 1.00 0.00 C ATOM 609 O LEU A 40 -10.811 5.538 -6.771 1.00 0.00 O ATOM 610 CB LEU A 40 -10.267 8.699 -5.617 1.00 0.00 C ATOM 611 CG LEU A 40 -10.222 10.174 -5.960 1.00 0.00 C ATOM 612 CD1 LEU A 40 -8.985 10.436 -6.821 1.00 0.00 C ATOM 613 CD2 LEU A 40 -11.506 10.547 -6.712 1.00 0.00 C ATOM 0 HA LEU A 40 -10.253 8.390 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.995 8.519 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.298 8.371 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.159 10.784 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.937 11.494 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.090 10.156 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.045 9.844 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.485 11.607 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.576 9.958 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.370 10.341 -6.080 1.00 0.00 H new ATOM 625 N TYR A 41 -8.801 6.375 -6.772 1.00 0.00 N ATOM 626 CA TYR A 41 -8.238 5.016 -6.723 1.00 0.00 C ATOM 627 C TYR A 41 -6.945 4.983 -5.928 1.00 0.00 C ATOM 628 O TYR A 41 -5.983 5.641 -6.267 1.00 0.00 O ATOM 629 CB TYR A 41 -7.981 4.695 -8.182 1.00 0.00 C ATOM 630 CG TYR A 41 -9.295 4.694 -8.921 1.00 0.00 C ATOM 631 CD1 TYR A 41 -10.283 3.782 -8.555 1.00 0.00 C ATOM 632 CD2 TYR A 41 -9.522 5.577 -9.985 1.00 0.00 C ATOM 633 CE1 TYR A 41 -11.494 3.735 -9.252 1.00 0.00 C ATOM 634 CE2 TYR A 41 -10.738 5.536 -10.672 1.00 0.00 C ATOM 635 CZ TYR A 41 -11.719 4.616 -10.313 1.00 0.00 C ATOM 636 OH TYR A 41 -12.905 4.570 -11.018 1.00 0.00 O ATOM 0 H TYR A 41 -8.124 7.138 -6.786 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.900 4.301 -6.234 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.305 5.431 -8.616 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.496 3.723 -8.274 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.112 3.108 -7.729 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.760 6.286 -10.273 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.253 3.020 -8.971 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.918 6.222 -11.486 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.894 5.253 -11.721 1.00 0.00 H new ATOM 646 N ASP A 42 -6.900 4.205 -4.882 1.00 0.00 N ATOM 647 CA ASP A 42 -5.639 4.129 -4.105 1.00 0.00 C ATOM 648 C ASP A 42 -4.554 3.580 -5.025 1.00 0.00 C ATOM 649 O ASP A 42 -4.302 2.393 -5.059 1.00 0.00 O ATOM 650 CB ASP A 42 -5.924 3.161 -2.963 1.00 0.00 C ATOM 651 CG ASP A 42 -5.432 3.763 -1.645 1.00 0.00 C ATOM 652 OD1 ASP A 42 -4.282 4.166 -1.594 1.00 0.00 O ATOM 653 OD2 ASP A 42 -6.216 3.812 -0.711 1.00 0.00 O ATOM 0 H ASP A 42 -7.669 3.629 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.307 5.093 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.993 2.957 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.427 2.209 -3.147 1.00 0.00 H new ATOM 658 N SER A 43 -3.945 4.443 -5.792 1.00 0.00 N ATOM 659 CA SER A 43 -2.891 4.007 -6.753 1.00 0.00 C ATOM 660 C SER A 43 -2.099 2.827 -6.207 1.00 0.00 C ATOM 661 O SER A 43 -1.655 1.982 -6.951 1.00 0.00 O ATOM 662 CB SER A 43 -1.979 5.217 -6.923 1.00 0.00 C ATOM 663 OG SER A 43 -2.349 6.217 -5.992 1.00 0.00 O ATOM 0 H SER A 43 -4.136 5.445 -5.794 1.00 0.00 H new ATOM 0 HA SER A 43 -3.327 3.678 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.939 4.928 -6.769 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.055 5.604 -7.939 1.00 0.00 H new ATOM 0 HG SER A 43 -2.424 5.821 -5.099 1.00 0.00 H new ATOM 669 N ALA A 44 -1.929 2.749 -4.920 1.00 0.00 N ATOM 670 CA ALA A 44 -1.162 1.597 -4.364 1.00 0.00 C ATOM 671 C ALA A 44 -2.104 0.446 -4.056 1.00 0.00 C ATOM 672 O ALA A 44 -1.921 -0.663 -4.516 1.00 0.00 O ATOM 673 CB ALA A 44 -0.512 2.091 -3.082 1.00 0.00 C ATOM 0 H ALA A 44 -2.280 3.419 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.417 1.239 -5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.065 1.283 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.150 2.927 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.284 2.418 -2.385 1.00 0.00 H new ATOM 679 N ALA A 45 -3.127 0.700 -3.299 1.00 0.00 N ATOM 680 CA ALA A 45 -4.080 -0.387 -2.997 1.00 0.00 C ATOM 681 C ALA A 45 -4.655 -0.863 -4.317 1.00 0.00 C ATOM 682 O ALA A 45 -5.116 -1.980 -4.453 1.00 0.00 O ATOM 683 CB ALA A 45 -5.163 0.243 -2.125 1.00 0.00 C ATOM 0 H ALA A 45 -3.341 1.605 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.629 -1.237 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.905 -0.512 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.713 0.639 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.646 1.052 -2.673 1.00 0.00 H new ATOM 689 N VAL A 46 -4.617 -0.006 -5.298 1.00 0.00 N ATOM 690 CA VAL A 46 -5.144 -0.379 -6.629 1.00 0.00 C ATOM 691 C VAL A 46 -4.213 -1.380 -7.310 1.00 0.00 C ATOM 692 O VAL A 46 -4.648 -2.174 -8.111 1.00 0.00 O ATOM 693 CB VAL A 46 -5.190 0.914 -7.443 1.00 0.00 C ATOM 694 CG1 VAL A 46 -5.593 0.589 -8.883 1.00 0.00 C ATOM 695 CG2 VAL A 46 -6.216 1.869 -6.840 1.00 0.00 C ATOM 0 H VAL A 46 -4.241 0.940 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.127 -0.844 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.206 1.384 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.627 1.508 -9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.863 -0.092 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.576 0.119 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.244 2.789 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.200 1.401 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.937 2.101 -5.812 1.00 0.00 H new ATOM 705 N ILE A 47 -2.935 -1.354 -7.015 1.00 0.00 N ATOM 706 CA ILE A 47 -2.030 -2.337 -7.699 1.00 0.00 C ATOM 707 C ILE A 47 -1.988 -3.659 -6.966 1.00 0.00 C ATOM 708 O ILE A 47 -2.228 -4.694 -7.549 1.00 0.00 O ATOM 709 CB ILE A 47 -0.620 -1.763 -7.798 1.00 0.00 C ATOM 710 CG1 ILE A 47 -0.389 -0.590 -6.849 1.00 0.00 C ATOM 711 CG2 ILE A 47 -0.426 -1.300 -9.223 1.00 0.00 C ATOM 712 CD1 ILE A 47 0.927 0.110 -7.209 1.00 0.00 C ATOM 0 H ILE A 47 -2.489 -0.719 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.428 -2.516 -8.698 1.00 0.00 H new ATOM 0 HB ILE A 47 0.094 -2.537 -7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.218 0.115 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.355 -0.944 -5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.574 -0.881 -9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.544 -2.146 -9.900 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.168 -0.538 -9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.091 0.947 -6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.752 -0.597 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.875 0.478 -8.234 1.00 0.00 H new ATOM 724 N LYS A 48 -1.688 -3.652 -5.703 1.00 0.00 N ATOM 725 CA LYS A 48 -1.650 -4.934 -4.967 1.00 0.00 C ATOM 726 C LYS A 48 -2.884 -5.753 -5.380 1.00 0.00 C ATOM 727 O LYS A 48 -2.854 -6.966 -5.497 1.00 0.00 O ATOM 728 CB LYS A 48 -1.699 -4.521 -3.488 1.00 0.00 C ATOM 729 CG LYS A 48 -2.292 -5.652 -2.645 1.00 0.00 C ATOM 730 CD LYS A 48 -2.091 -5.338 -1.159 1.00 0.00 C ATOM 731 CE LYS A 48 -3.016 -4.189 -0.747 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.683 -4.659 0.500 1.00 0.00 N ATOM 0 H LYS A 48 -1.469 -2.821 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.773 -5.549 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.696 -4.282 -3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.300 -3.619 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.354 -5.765 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.812 -6.598 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.303 -6.222 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.052 -5.067 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.453 -3.272 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.746 -3.971 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.334 -3.924 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.217 -5.529 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.964 -4.852 1.226 1.00 0.00 H new ATOM 746 N TRP A 49 -3.956 -5.058 -5.645 1.00 0.00 N ATOM 747 CA TRP A 49 -5.219 -5.714 -6.089 1.00 0.00 C ATOM 748 C TRP A 49 -5.227 -5.872 -7.620 1.00 0.00 C ATOM 749 O TRP A 49 -5.868 -6.756 -8.153 1.00 0.00 O ATOM 750 CB TRP A 49 -6.304 -4.749 -5.613 1.00 0.00 C ATOM 751 CG TRP A 49 -7.571 -4.940 -6.380 1.00 0.00 C ATOM 752 CD1 TRP A 49 -8.682 -5.549 -5.905 1.00 0.00 C ATOM 753 CD2 TRP A 49 -7.885 -4.510 -7.732 1.00 0.00 C ATOM 754 NE1 TRP A 49 -9.667 -5.505 -6.878 1.00 0.00 N ATOM 755 CE2 TRP A 49 -9.221 -4.873 -8.022 1.00 0.00 C ATOM 756 CE3 TRP A 49 -7.148 -3.842 -8.725 1.00 0.00 C ATOM 757 CZ2 TRP A 49 -9.803 -4.577 -9.252 1.00 0.00 C ATOM 758 CZ3 TRP A 49 -7.732 -3.549 -9.964 1.00 0.00 C ATOM 759 CH2 TRP A 49 -9.059 -3.914 -10.222 1.00 0.00 C ATOM 0 H TRP A 49 -4.011 -4.042 -5.571 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.356 -6.719 -5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.492 -4.904 -4.551 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.957 -3.722 -5.728 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.784 -5.996 -4.927 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.604 -5.891 -6.764 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.126 -3.553 -8.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.826 -4.861 -9.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.157 -3.040 -10.723 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.506 -3.680 -11.177 1.00 0.00 H new ATOM 770 N TYR A 50 -4.510 -5.034 -8.334 1.00 0.00 N ATOM 771 CA TYR A 50 -4.473 -5.161 -9.823 1.00 0.00 C ATOM 772 C TYR A 50 -3.365 -6.145 -10.217 1.00 0.00 C ATOM 773 O TYR A 50 -3.489 -6.904 -11.156 1.00 0.00 O ATOM 774 CB TYR A 50 -4.175 -3.737 -10.336 1.00 0.00 C ATOM 775 CG TYR A 50 -3.296 -3.773 -11.571 1.00 0.00 C ATOM 776 CD1 TYR A 50 -1.896 -3.825 -11.449 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.888 -3.765 -12.836 1.00 0.00 C ATOM 778 CE1 TYR A 50 -1.096 -3.870 -12.602 1.00 0.00 C ATOM 779 CE2 TYR A 50 -3.094 -3.813 -13.985 1.00 0.00 C ATOM 780 CZ TYR A 50 -1.697 -3.867 -13.869 1.00 0.00 C ATOM 781 OH TYR A 50 -0.913 -3.914 -15.004 1.00 0.00 O ATOM 0 H TYR A 50 -3.952 -4.272 -7.950 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.402 -5.543 -10.247 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.110 -3.227 -10.567 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.683 -3.161 -9.553 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.437 -3.830 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.963 -3.722 -12.927 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.020 -3.907 -12.513 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.555 -3.809 -14.961 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.487 -3.906 -15.798 1.00 0.00 H new ATOM 791 N ALA A 51 -2.288 -6.147 -9.491 1.00 0.00 N ATOM 792 CA ALA A 51 -1.183 -7.080 -9.807 1.00 0.00 C ATOM 793 C ALA A 51 -1.649 -8.503 -9.534 1.00 0.00 C ATOM 794 O ALA A 51 -1.122 -9.459 -10.067 1.00 0.00 O ATOM 795 CB ALA A 51 -0.062 -6.695 -8.844 1.00 0.00 C ATOM 0 H ALA A 51 -2.126 -5.539 -8.688 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.859 -7.027 -10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.800 -7.341 -9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.224 -5.657 -9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.408 -6.812 -7.817 1.00 0.00 H new ATOM 1092 N MET B 1 1.468 6.710 -17.122 1.00 0.00 N ATOM 1093 CA MET B 1 2.046 7.990 -16.623 1.00 0.00 C ATOM 1094 C MET B 1 3.542 7.817 -16.337 1.00 0.00 C ATOM 1095 O MET B 1 4.073 6.726 -16.374 1.00 0.00 O ATOM 1096 CB MET B 1 1.267 8.302 -15.322 1.00 0.00 C ATOM 1097 CG MET B 1 2.177 8.187 -14.099 1.00 0.00 C ATOM 1098 SD MET B 1 1.189 8.015 -12.597 1.00 0.00 S ATOM 1099 CE MET B 1 -0.008 9.324 -12.932 1.00 0.00 C ATOM 0 H1 MET B 1 0.844 6.903 -17.932 1.00 0.00 H new ATOM 0 H2 MET B 1 2.236 6.075 -17.420 1.00 0.00 H new ATOM 0 H3 MET B 1 0.920 6.257 -16.363 1.00 0.00 H new ATOM 0 HA MET B 1 1.957 8.798 -17.349 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.849 9.307 -15.376 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.428 7.613 -15.222 1.00 0.00 H new ATOM 0 HG2 MET B 1 2.838 7.327 -14.208 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.812 9.070 -14.026 1.00 0.00 H new ATOM 0 HE1 MET B 1 -0.446 9.665 -11.994 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.493 10.158 -13.423 1.00 0.00 H new ATOM 0 HE3 MET B 1 -0.795 8.940 -13.581 1.00 0.00 H new ATOM 1111 N GLU B 2 4.200 8.886 -16.000 1.00 0.00 N ATOM 1112 CA GLU B 2 5.638 8.808 -15.647 1.00 0.00 C ATOM 1113 C GLU B 2 5.892 9.725 -14.462 1.00 0.00 C ATOM 1114 O GLU B 2 6.151 10.903 -14.607 1.00 0.00 O ATOM 1115 CB GLU B 2 6.438 9.278 -16.857 1.00 0.00 C ATOM 1116 CG GLU B 2 5.715 10.390 -17.602 1.00 0.00 C ATOM 1117 CD GLU B 2 6.156 11.750 -17.058 1.00 0.00 C ATOM 1118 OE1 GLU B 2 7.353 11.970 -16.968 1.00 0.00 O ATOM 1119 OE2 GLU B 2 5.291 12.549 -16.742 1.00 0.00 O ATOM 0 H GLU B 2 3.797 9.822 -15.954 1.00 0.00 H new ATOM 0 HA GLU B 2 5.931 7.792 -15.382 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.417 9.632 -16.533 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.609 8.438 -17.530 1.00 0.00 H new ATOM 0 HG2 GLU B 2 5.932 10.327 -18.668 1.00 0.00 H new ATOM 0 HG3 GLU B 2 4.637 10.275 -17.489 1.00 0.00 H new ATOM 1126 N VAL B 3 5.794 9.187 -13.294 1.00 0.00 N ATOM 1127 CA VAL B 3 5.998 10.002 -12.070 1.00 0.00 C ATOM 1128 C VAL B 3 7.480 10.013 -11.694 1.00 0.00 C ATOM 1129 O VAL B 3 8.275 9.278 -12.245 1.00 0.00 O ATOM 1130 CB VAL B 3 5.177 9.287 -10.995 1.00 0.00 C ATOM 1131 CG1 VAL B 3 3.778 8.944 -11.529 1.00 0.00 C ATOM 1132 CG2 VAL B 3 5.892 7.997 -10.599 1.00 0.00 C ATOM 0 H VAL B 3 5.579 8.204 -13.126 1.00 0.00 H new ATOM 0 HA VAL B 3 5.694 11.041 -12.198 1.00 0.00 H new ATOM 0 HB VAL B 3 5.074 9.943 -10.131 1.00 0.00 H new ATOM 0 HG11 VAL B 3 3.207 8.436 -10.752 1.00 0.00 H new ATOM 0 HG12 VAL B 3 3.264 9.861 -11.817 1.00 0.00 H new ATOM 0 HG13 VAL B 3 3.870 8.292 -12.397 1.00 0.00 H new ATOM 0 HG21 VAL B 3 5.313 7.481 -9.833 1.00 0.00 H new ATOM 0 HG22 VAL B 3 5.992 7.354 -11.473 1.00 0.00 H new ATOM 0 HG23 VAL B 3 6.881 8.235 -10.208 1.00 0.00 H new ATOM 1142 N ASN B 4 7.861 10.841 -10.763 1.00 0.00 N ATOM 1143 CA ASN B 4 9.293 10.894 -10.359 1.00 0.00 C ATOM 1144 C ASN B 4 9.552 9.896 -9.232 1.00 0.00 C ATOM 1145 O ASN B 4 8.740 9.040 -8.955 1.00 0.00 O ATOM 1146 CB ASN B 4 9.521 12.327 -9.875 1.00 0.00 C ATOM 1147 CG ASN B 4 8.822 13.308 -10.818 1.00 0.00 C ATOM 1148 OD1 ASN B 4 7.588 13.657 -10.577 1.00 0.00 O flip ATOM 1149 ND2 ASN B 4 9.405 13.761 -11.784 1.00 0.00 N flip ATOM 0 H ASN B 4 7.244 11.483 -10.265 1.00 0.00 H new ATOM 0 HA ASN B 4 9.965 10.635 -11.177 1.00 0.00 H new ATOM 0 HB2 ASN B 4 9.136 12.444 -8.862 1.00 0.00 H new ATOM 0 HB3 ASN B 4 10.589 12.543 -9.837 1.00 0.00 H new ATOM 0 HD21 ASN B 4 10.370 13.488 -11.972 1.00 0.00 H new ATOM 0 HD22 ASN B 4 8.929 14.414 -12.407 1.00 0.00 H new ATOM 1156 N LYS B 5 10.682 9.992 -8.592 1.00 0.00 N ATOM 1157 CA LYS B 5 11.001 9.034 -7.493 1.00 0.00 C ATOM 1158 C LYS B 5 10.015 9.166 -6.331 1.00 0.00 C ATOM 1159 O LYS B 5 9.784 8.222 -5.601 1.00 0.00 O ATOM 1160 CB LYS B 5 12.411 9.399 -7.038 1.00 0.00 C ATOM 1161 CG LYS B 5 12.944 8.285 -6.139 1.00 0.00 C ATOM 1162 CD LYS B 5 13.868 7.378 -6.949 1.00 0.00 C ATOM 1163 CE LYS B 5 14.806 6.625 -6.004 1.00 0.00 C ATOM 1164 NZ LYS B 5 16.176 6.893 -6.526 1.00 0.00 N ATOM 0 H LYS B 5 11.400 10.691 -8.780 1.00 0.00 H new ATOM 0 HA LYS B 5 10.931 8.002 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS B 5 13.063 9.532 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.400 10.346 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS B 5 13.484 8.712 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.116 7.706 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.279 6.671 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS B 5 14.448 7.971 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS B 5 14.699 6.977 -4.978 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.587 5.557 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 16.876 6.409 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 16.251 6.541 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 16.359 7.917 -6.512 1.00 0.00 H new ATOM 1178 N LYS B 6 9.430 10.315 -6.141 1.00 0.00 N ATOM 1179 CA LYS B 6 8.467 10.463 -5.015 1.00 0.00 C ATOM 1180 C LYS B 6 7.095 9.971 -5.445 1.00 0.00 C ATOM 1181 O LYS B 6 6.603 8.966 -4.973 1.00 0.00 O ATOM 1182 CB LYS B 6 8.416 11.957 -4.708 1.00 0.00 C ATOM 1183 CG LYS B 6 9.831 12.501 -4.546 1.00 0.00 C ATOM 1184 CD LYS B 6 9.869 13.453 -3.349 1.00 0.00 C ATOM 1185 CE LYS B 6 11.187 13.273 -2.591 1.00 0.00 C ATOM 1186 NZ LYS B 6 11.516 14.626 -2.058 1.00 0.00 N ATOM 0 H LYS B 6 9.574 11.150 -6.709 1.00 0.00 H new ATOM 0 HA LYS B 6 8.769 9.884 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS B 6 7.904 12.485 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS B 6 7.843 12.131 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS B 6 10.534 11.681 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS B 6 10.139 13.024 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS B 6 9.771 14.484 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS B 6 9.027 13.254 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS B 6 11.082 12.547 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS B 6 11.974 12.907 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 12.408 14.582 -1.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 11.617 15.295 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 10.753 14.946 -1.428 1.00 0.00 H new ATOM 1200 N GLN B 7 6.475 10.672 -6.344 1.00 0.00 N ATOM 1201 CA GLN B 7 5.135 10.241 -6.813 1.00 0.00 C ATOM 1202 C GLN B 7 5.157 8.739 -7.094 1.00 0.00 C ATOM 1203 O GLN B 7 4.215 8.034 -6.804 1.00 0.00 O ATOM 1204 CB GLN B 7 4.891 11.035 -8.098 1.00 0.00 C ATOM 1205 CG GLN B 7 4.653 12.510 -7.759 1.00 0.00 C ATOM 1206 CD GLN B 7 3.656 12.621 -6.605 1.00 0.00 C ATOM 1207 OE1 GLN B 7 3.885 13.341 -5.654 1.00 0.00 O ATOM 1208 NE2 GLN B 7 2.550 11.929 -6.646 1.00 0.00 N ATOM 0 H GLN B 7 6.836 11.523 -6.774 1.00 0.00 H new ATOM 0 HA GLN B 7 4.349 10.421 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN B 7 5.749 10.939 -8.764 1.00 0.00 H new ATOM 0 HB3 GLN B 7 4.029 10.630 -8.628 1.00 0.00 H new ATOM 0 HG2 GLN B 7 5.594 12.986 -7.486 1.00 0.00 H new ATOM 0 HG3 GLN B 7 4.271 13.037 -8.634 1.00 0.00 H new ATOM 0 HE21 GLN B 7 2.356 11.324 -7.444 1.00 0.00 H new ATOM 0 HE22 GLN B 7 1.879 11.993 -5.880 1.00 0.00 H new ATOM 1217 N LEU B 8 6.238 8.246 -7.641 1.00 0.00 N ATOM 1218 CA LEU B 8 6.339 6.788 -7.939 1.00 0.00 C ATOM 1219 C LEU B 8 6.118 5.991 -6.664 1.00 0.00 C ATOM 1220 O LEU B 8 5.237 5.161 -6.583 1.00 0.00 O ATOM 1221 CB LEU B 8 7.765 6.594 -8.468 1.00 0.00 C ATOM 1222 CG LEU B 8 8.237 5.154 -8.236 1.00 0.00 C ATOM 1223 CD1 LEU B 8 7.116 4.171 -8.579 1.00 0.00 C ATOM 1224 CD2 LEU B 8 9.447 4.869 -9.129 1.00 0.00 C ATOM 0 H LEU B 8 7.059 8.795 -7.895 1.00 0.00 H new ATOM 0 HA LEU B 8 5.595 6.449 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.798 6.826 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.441 7.289 -7.969 1.00 0.00 H new ATOM 0 HG LEU B 8 8.510 5.033 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU B 8 7.462 3.151 -8.411 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.251 4.370 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.835 4.291 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU B 8 9.786 3.846 -8.967 1.00 0.00 H new ATOM 0 HD22 LEU B 8 9.166 4.997 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.252 5.561 -8.882 1.00 0.00 H new ATOM 1236 N ALA B 9 6.899 6.244 -5.657 1.00 0.00 N ATOM 1237 CA ALA B 9 6.695 5.488 -4.393 1.00 0.00 C ATOM 1238 C ALA B 9 5.239 5.663 -3.964 1.00 0.00 C ATOM 1239 O ALA B 9 4.663 4.826 -3.301 1.00 0.00 O ATOM 1240 CB ALA B 9 7.652 6.109 -3.379 1.00 0.00 C ATOM 0 H ALA B 9 7.656 6.927 -5.650 1.00 0.00 H new ATOM 0 HA ALA B 9 6.891 4.420 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA B 9 7.552 5.596 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.676 6.010 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA B 9 7.412 7.165 -3.252 1.00 0.00 H new ATOM 1246 N ASP B 10 4.636 6.750 -4.370 1.00 0.00 N ATOM 1247 CA ASP B 10 3.205 6.998 -4.028 1.00 0.00 C ATOM 1248 C ASP B 10 2.310 6.132 -4.913 1.00 0.00 C ATOM 1249 O ASP B 10 1.313 5.595 -4.472 1.00 0.00 O ATOM 1250 CB ASP B 10 2.968 8.475 -4.334 1.00 0.00 C ATOM 1251 CG ASP B 10 2.027 9.074 -3.288 1.00 0.00 C ATOM 1252 OD1 ASP B 10 1.597 8.338 -2.414 1.00 0.00 O ATOM 1253 OD2 ASP B 10 1.749 10.259 -3.379 1.00 0.00 O ATOM 0 H ASP B 10 5.077 7.481 -4.928 1.00 0.00 H new ATOM 0 HA ASP B 10 2.980 6.757 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP B 10 3.916 9.013 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.538 8.586 -5.330 1.00 0.00 H new ATOM 1258 N ILE B 11 2.669 5.981 -6.160 1.00 0.00 N ATOM 1259 CA ILE B 11 1.849 5.135 -7.075 1.00 0.00 C ATOM 1260 C ILE B 11 1.579 3.796 -6.406 1.00 0.00 C ATOM 1261 O ILE B 11 0.507 3.234 -6.510 1.00 0.00 O ATOM 1262 CB ILE B 11 2.721 4.913 -8.309 1.00 0.00 C ATOM 1263 CG1 ILE B 11 3.068 6.249 -8.965 1.00 0.00 C ATOM 1264 CG2 ILE B 11 1.974 4.035 -9.308 1.00 0.00 C ATOM 1265 CD1 ILE B 11 1.902 6.739 -9.825 1.00 0.00 C ATOM 0 H ILE B 11 3.493 6.406 -6.584 1.00 0.00 H new ATOM 0 HA ILE B 11 0.894 5.599 -7.323 1.00 0.00 H new ATOM 0 HB ILE B 11 3.644 4.421 -8.003 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.299 6.989 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE B 11 3.961 6.138 -9.580 1.00 0.00 H new ATOM 0 HG21 ILE B 11 2.596 3.876 -10.189 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.745 3.074 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.047 4.527 -9.602 1.00 0.00 H new ATOM 0 HD11 ILE B 11 2.165 7.691 -10.285 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.691 6.006 -10.603 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.019 6.869 -9.200 1.00 0.00 H new ATOM 1277 N PHE B 12 2.557 3.282 -5.720 1.00 0.00 N ATOM 1278 CA PHE B 12 2.381 1.978 -5.040 1.00 0.00 C ATOM 1279 C PHE B 12 2.245 2.191 -3.536 1.00 0.00 C ATOM 1280 O PHE B 12 2.267 1.253 -2.764 1.00 0.00 O ATOM 1281 CB PHE B 12 3.664 1.198 -5.321 1.00 0.00 C ATOM 1282 CG PHE B 12 3.961 1.163 -6.801 1.00 0.00 C ATOM 1283 CD1 PHE B 12 4.469 2.296 -7.451 1.00 0.00 C ATOM 1284 CD2 PHE B 12 3.772 -0.024 -7.514 1.00 0.00 C ATOM 1285 CE1 PHE B 12 4.773 2.241 -8.815 1.00 0.00 C ATOM 1286 CE2 PHE B 12 4.085 -0.081 -8.870 1.00 0.00 C ATOM 1287 CZ PHE B 12 4.582 1.050 -9.526 1.00 0.00 C ATOM 0 H PHE B 12 3.474 3.713 -5.602 1.00 0.00 H new ATOM 0 HA PHE B 12 1.491 1.456 -5.391 1.00 0.00 H new ATOM 0 HB2 PHE B 12 4.497 1.658 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE B 12 3.566 0.181 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE B 12 4.626 3.211 -6.899 1.00 0.00 H new ATOM 0 HD2 PHE B 12 3.383 -0.898 -7.013 1.00 0.00 H new ATOM 0 HE1 PHE B 12 5.155 3.116 -9.319 1.00 0.00 H new ATOM 0 HE2 PHE B 12 3.943 -1.002 -9.417 1.00 0.00 H new ATOM 0 HZ PHE B 12 4.818 1.005 -10.579 1.00 0.00 H new ATOM 1297 N GLY B 13 2.143 3.418 -3.106 1.00 0.00 N ATOM 1298 CA GLY B 13 2.048 3.674 -1.647 1.00 0.00 C ATOM 1299 C GLY B 13 3.317 3.129 -1.000 1.00 0.00 C ATOM 1300 O GLY B 13 3.385 2.916 0.194 1.00 0.00 O ATOM 0 H GLY B 13 2.122 4.247 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.946 4.741 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.166 3.188 -1.230 1.00 0.00 H new ATOM 1304 N ALA B 14 4.327 2.895 -1.797 1.00 0.00 N ATOM 1305 CA ALA B 14 5.600 2.358 -1.257 1.00 0.00 C ATOM 1306 C ALA B 14 6.405 3.477 -0.607 1.00 0.00 C ATOM 1307 O ALA B 14 5.911 4.559 -0.362 1.00 0.00 O ATOM 1308 CB ALA B 14 6.358 1.825 -2.481 1.00 0.00 C ATOM 0 H ALA B 14 4.319 3.056 -2.804 1.00 0.00 H new ATOM 0 HA ALA B 14 5.432 1.589 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA B 14 7.314 1.409 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.767 1.047 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA B 14 6.532 2.639 -3.184 1.00 0.00 H new ATOM 1314 N SER B 15 7.655 3.230 -0.365 1.00 0.00 N ATOM 1315 CA SER B 15 8.523 4.274 0.226 1.00 0.00 C ATOM 1316 C SER B 15 9.632 4.576 -0.769 1.00 0.00 C ATOM 1317 O SER B 15 10.184 3.683 -1.379 1.00 0.00 O ATOM 1318 CB SER B 15 9.084 3.666 1.505 1.00 0.00 C ATOM 1319 OG SER B 15 8.066 3.635 2.497 1.00 0.00 O ATOM 0 H SER B 15 8.117 2.340 -0.553 1.00 0.00 H new ATOM 0 HA SER B 15 7.998 5.204 0.446 1.00 0.00 H new ATOM 0 HB2 SER B 15 9.450 2.658 1.312 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.933 4.251 1.857 1.00 0.00 H new ATOM 0 HG SER B 15 8.424 3.243 3.321 1.00 0.00 H new ATOM 1325 N ILE B 16 9.944 5.816 -0.968 1.00 0.00 N ATOM 1326 CA ILE B 16 11.007 6.136 -1.962 1.00 0.00 C ATOM 1327 C ILE B 16 12.196 5.211 -1.741 1.00 0.00 C ATOM 1328 O ILE B 16 12.755 4.660 -2.670 1.00 0.00 O ATOM 1329 CB ILE B 16 11.458 7.584 -1.746 1.00 0.00 C ATOM 1330 CG1 ILE B 16 10.312 8.484 -1.277 1.00 0.00 C ATOM 1331 CG2 ILE B 16 11.979 8.106 -3.075 1.00 0.00 C ATOM 1332 CD1 ILE B 16 9.210 8.518 -2.326 1.00 0.00 C ATOM 0 H ILE B 16 9.521 6.616 -0.497 1.00 0.00 H new ATOM 0 HA ILE B 16 10.623 6.006 -2.974 1.00 0.00 H new ATOM 0 HB ILE B 16 12.224 7.599 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE B 16 9.914 8.116 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE B 16 10.683 9.493 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE B 16 12.309 9.138 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE B 16 12.818 7.492 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE B 16 11.184 8.063 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE B 16 8.400 9.161 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE B 16 9.610 8.908 -3.262 1.00 0.00 H new ATOM 0 HD13 ILE B 16 8.829 7.509 -2.487 1.00 0.00 H new ATOM 1344 N ARG B 17 12.578 5.030 -0.512 1.00 0.00 N ATOM 1345 CA ARG B 17 13.718 4.137 -0.217 1.00 0.00 C ATOM 1346 C ARG B 17 13.489 2.809 -0.939 1.00 0.00 C ATOM 1347 O ARG B 17 14.416 2.154 -1.376 1.00 0.00 O ATOM 1348 CB ARG B 17 13.705 4.023 1.311 1.00 0.00 C ATOM 1349 CG ARG B 17 13.224 2.651 1.756 1.00 0.00 C ATOM 1350 CD ARG B 17 11.734 2.556 1.486 1.00 0.00 C ATOM 1351 NE ARG B 17 11.115 2.274 2.812 1.00 0.00 N ATOM 1352 CZ ARG B 17 11.346 1.133 3.406 1.00 0.00 C ATOM 1353 NH1 ARG B 17 10.794 0.039 2.957 1.00 0.00 N ATOM 1354 NH2 ARG B 17 12.131 1.086 4.448 1.00 0.00 N ATOM 0 H ARG B 17 12.145 5.466 0.302 1.00 0.00 H new ATOM 0 HA ARG B 17 14.691 4.492 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG B 17 14.707 4.204 1.700 1.00 0.00 H new ATOM 0 HB3 ARG B 17 13.056 4.792 1.730 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.758 1.869 1.217 1.00 0.00 H new ATOM 0 HG3 ARG B 17 13.428 2.503 2.817 1.00 0.00 H new ATOM 0 HD2 ARG B 17 11.351 3.484 1.062 1.00 0.00 H new ATOM 0 HD3 ARG B 17 11.513 1.763 0.771 1.00 0.00 H new ATOM 0 HE ARG B 17 10.513 2.969 3.254 1.00 0.00 H new ATOM 0 HH11 ARG B 17 10.182 0.074 2.142 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.975 -0.851 3.421 1.00 0.00 H new ATOM 0 HH21 ARG B 17 12.564 1.940 4.799 1.00 0.00 H new ATOM 0 HH22 ARG B 17 12.311 0.195 4.911 1.00 0.00 H new ATOM 1368 N THR B 18 12.248 2.438 -1.115 1.00 0.00 N ATOM 1369 CA THR B 18 11.956 1.186 -1.865 1.00 0.00 C ATOM 1370 C THR B 18 12.169 1.493 -3.338 1.00 0.00 C ATOM 1371 O THR B 18 12.751 0.720 -4.073 1.00 0.00 O ATOM 1372 CB THR B 18 10.492 0.830 -1.596 1.00 0.00 C ATOM 1373 OG1 THR B 18 10.304 0.559 -0.216 1.00 0.00 O ATOM 1374 CG2 THR B 18 10.128 -0.415 -2.405 1.00 0.00 C ATOM 0 H THR B 18 11.431 2.945 -0.774 1.00 0.00 H new ATOM 0 HA THR B 18 12.593 0.353 -1.567 1.00 0.00 H new ATOM 0 HB THR B 18 9.857 1.667 -1.886 1.00 0.00 H new ATOM 0 HG1 THR B 18 9.364 0.334 -0.052 1.00 0.00 H new ATOM 0 HG21 THR B 18 9.086 -0.677 -2.220 1.00 0.00 H new ATOM 0 HG22 THR B 18 10.269 -0.213 -3.467 1.00 0.00 H new ATOM 0 HG23 THR B 18 10.769 -1.244 -2.105 1.00 0.00 H new ATOM 1382 N ILE B 19 11.726 2.647 -3.768 1.00 0.00 N ATOM 1383 CA ILE B 19 11.939 3.026 -5.186 1.00 0.00 C ATOM 1384 C ILE B 19 13.436 2.957 -5.478 1.00 0.00 C ATOM 1385 O ILE B 19 13.857 2.687 -6.585 1.00 0.00 O ATOM 1386 CB ILE B 19 11.432 4.461 -5.314 1.00 0.00 C ATOM 1387 CG1 ILE B 19 9.976 4.538 -4.855 1.00 0.00 C ATOM 1388 CG2 ILE B 19 11.516 4.893 -6.777 1.00 0.00 C ATOM 1389 CD1 ILE B 19 9.162 3.479 -5.594 1.00 0.00 C ATOM 0 H ILE B 19 11.231 3.334 -3.200 1.00 0.00 H new ATOM 0 HA ILE B 19 11.421 2.370 -5.885 1.00 0.00 H new ATOM 0 HB ILE B 19 12.043 5.117 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE B 19 9.912 4.378 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE B 19 9.571 5.530 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE B 19 11.155 5.917 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE B 19 12.551 4.839 -7.113 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.901 4.232 -7.388 1.00 0.00 H new ATOM 0 HD11 ILE B 19 8.122 3.529 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE B 19 9.218 3.661 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.564 2.491 -5.372 1.00 0.00 H new ATOM 1401 N GLN B 20 14.241 3.168 -4.469 1.00 0.00 N ATOM 1402 CA GLN B 20 15.711 3.083 -4.655 1.00 0.00 C ATOM 1403 C GLN B 20 16.065 1.614 -4.821 1.00 0.00 C ATOM 1404 O GLN B 20 16.977 1.252 -5.538 1.00 0.00 O ATOM 1405 CB GLN B 20 16.315 3.653 -3.370 1.00 0.00 C ATOM 1406 CG GLN B 20 15.854 5.101 -3.188 1.00 0.00 C ATOM 1407 CD GLN B 20 17.071 6.028 -3.176 1.00 0.00 C ATOM 1408 OE1 GLN B 20 18.194 5.576 -3.287 1.00 0.00 O ATOM 1409 NE2 GLN B 20 16.896 7.315 -3.042 1.00 0.00 N ATOM 0 H GLN B 20 13.937 3.396 -3.522 1.00 0.00 H new ATOM 0 HA GLN B 20 16.079 3.628 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN B 20 16.008 3.052 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.403 3.610 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN B 20 15.178 5.382 -3.995 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.298 5.202 -2.256 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.954 7.695 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.701 7.941 -3.031 1.00 0.00 H new ATOM 1418 N ASN B 21 15.308 0.762 -4.185 1.00 0.00 N ATOM 1419 CA ASN B 21 15.553 -0.691 -4.327 1.00 0.00 C ATOM 1420 C ASN B 21 14.961 -1.134 -5.660 1.00 0.00 C ATOM 1421 O ASN B 21 15.423 -2.062 -6.292 1.00 0.00 O ATOM 1422 CB ASN B 21 14.824 -1.343 -3.154 1.00 0.00 C ATOM 1423 CG ASN B 21 15.702 -1.267 -1.903 1.00 0.00 C ATOM 1424 OD1 ASN B 21 16.682 -0.550 -1.878 1.00 0.00 O ATOM 1425 ND2 ASN B 21 15.391 -1.985 -0.859 1.00 0.00 N ATOM 0 H ASN B 21 14.531 1.015 -3.574 1.00 0.00 H new ATOM 0 HA ASN B 21 16.609 -0.961 -4.316 1.00 0.00 H new ATOM 0 HB2 ASN B 21 13.874 -0.838 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN B 21 14.594 -2.383 -3.387 1.00 0.00 H new ATOM 0 HD21 ASN B 21 15.971 -1.944 -0.021 1.00 0.00 H new ATOM 0 HD22 ASN B 21 14.568 -2.587 -0.881 1.00 0.00 H new ATOM 1432 N TRP B 22 13.947 -0.438 -6.100 1.00 0.00 N ATOM 1433 CA TRP B 22 13.317 -0.765 -7.405 1.00 0.00 C ATOM 1434 C TRP B 22 14.294 -0.424 -8.523 1.00 0.00 C ATOM 1435 O TRP B 22 14.636 -1.247 -9.348 1.00 0.00 O ATOM 1436 CB TRP B 22 12.096 0.148 -7.490 1.00 0.00 C ATOM 1437 CG TRP B 22 11.039 -0.333 -6.556 1.00 0.00 C ATOM 1438 CD1 TRP B 22 11.239 -1.177 -5.521 1.00 0.00 C ATOM 1439 CD2 TRP B 22 9.620 -0.016 -6.562 1.00 0.00 C ATOM 1440 NE1 TRP B 22 10.030 -1.399 -4.888 1.00 0.00 N ATOM 1441 CE2 TRP B 22 9.002 -0.703 -5.494 1.00 0.00 C ATOM 1442 CE3 TRP B 22 8.816 0.794 -7.383 1.00 0.00 C ATOM 1443 CZ2 TRP B 22 7.634 -0.589 -5.251 1.00 0.00 C ATOM 1444 CZ3 TRP B 22 7.440 0.907 -7.136 1.00 0.00 C ATOM 1445 CH2 TRP B 22 6.856 0.215 -6.070 1.00 0.00 C ATOM 0 H TRP B 22 13.527 0.349 -5.605 1.00 0.00 H new ATOM 0 HA TRP B 22 13.048 -1.818 -7.495 1.00 0.00 H new ATOM 0 HB2 TRP B 22 12.377 1.171 -7.239 1.00 0.00 H new ATOM 0 HB3 TRP B 22 11.713 0.164 -8.510 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.187 -1.608 -5.235 1.00 0.00 H new ATOM 0 HE1 TRP B 22 9.912 -2.002 -4.074 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.260 1.332 -8.208 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.182 -1.124 -4.429 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 6.829 1.531 -7.771 1.00 0.00 H new ATOM 0 HH2 TRP B 22 5.796 0.307 -5.884 1.00 0.00 H new ATOM 1456 N GLN B 23 14.753 0.796 -8.539 1.00 0.00 N ATOM 1457 CA GLN B 23 15.716 1.219 -9.580 1.00 0.00 C ATOM 1458 C GLN B 23 16.871 0.222 -9.638 1.00 0.00 C ATOM 1459 O GLN B 23 17.552 0.094 -10.637 1.00 0.00 O ATOM 1460 CB GLN B 23 16.209 2.585 -9.109 1.00 0.00 C ATOM 1461 CG GLN B 23 16.433 3.483 -10.320 1.00 0.00 C ATOM 1462 CD GLN B 23 17.791 4.177 -10.198 1.00 0.00 C ATOM 1463 OE1 GLN B 23 18.305 4.344 -9.110 1.00 0.00 O ATOM 1464 NE2 GLN B 23 18.398 4.590 -11.276 1.00 0.00 N ATOM 0 H GLN B 23 14.497 1.520 -7.868 1.00 0.00 H new ATOM 0 HA GLN B 23 15.277 1.264 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN B 23 15.479 3.036 -8.437 1.00 0.00 H new ATOM 0 HB3 GLN B 23 17.136 2.476 -8.546 1.00 0.00 H new ATOM 0 HG2 GLN B 23 16.396 2.893 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN B 23 15.638 4.226 -10.387 1.00 0.00 H new ATOM 0 HE21 GLN B 23 17.967 4.450 -12.190 1.00 0.00 H new ATOM 0 HE22 GLN B 23 19.304 5.053 -11.205 1.00 0.00 H new ATOM 1473 N GLU B 24 17.093 -0.487 -8.566 1.00 0.00 N ATOM 1474 CA GLU B 24 18.202 -1.480 -8.542 1.00 0.00 C ATOM 1475 C GLU B 24 17.650 -2.896 -8.719 1.00 0.00 C ATOM 1476 O GLU B 24 18.379 -3.867 -8.669 1.00 0.00 O ATOM 1477 CB GLU B 24 18.844 -1.318 -7.166 1.00 0.00 C ATOM 1478 CG GLU B 24 19.540 0.041 -7.087 1.00 0.00 C ATOM 1479 CD GLU B 24 21.037 -0.134 -7.348 1.00 0.00 C ATOM 1480 OE1 GLU B 24 21.388 -0.467 -8.468 1.00 0.00 O ATOM 1481 OE2 GLU B 24 21.807 0.068 -6.423 1.00 0.00 O ATOM 0 H GLU B 24 16.552 -0.421 -7.704 1.00 0.00 H new ATOM 0 HA GLU B 24 18.919 -1.321 -9.347 1.00 0.00 H new ATOM 0 HB2 GLU B 24 18.085 -1.396 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU B 24 19.563 -2.118 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU B 24 19.110 0.724 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.381 0.486 -6.105 1.00 0.00 H new ATOM 1488 N GLN B 25 16.370 -3.021 -8.933 1.00 0.00 N ATOM 1489 CA GLN B 25 15.772 -4.373 -9.122 1.00 0.00 C ATOM 1490 C GLN B 25 15.323 -4.535 -10.573 1.00 0.00 C ATOM 1491 O GLN B 25 14.480 -5.351 -10.890 1.00 0.00 O ATOM 1492 CB GLN B 25 14.575 -4.416 -8.175 1.00 0.00 C ATOM 1493 CG GLN B 25 15.063 -4.772 -6.772 1.00 0.00 C ATOM 1494 CD GLN B 25 13.907 -4.638 -5.779 1.00 0.00 C ATOM 1495 OE1 GLN B 25 14.091 -4.164 -4.675 1.00 0.00 O ATOM 1496 NE2 GLN B 25 12.713 -5.035 -6.127 1.00 0.00 N ATOM 0 H GLN B 25 15.711 -2.244 -8.985 1.00 0.00 H new ATOM 0 HA GLN B 25 16.476 -5.178 -8.911 1.00 0.00 H new ATOM 0 HB2 GLN B 25 14.069 -3.451 -8.164 1.00 0.00 H new ATOM 0 HB3 GLN B 25 13.849 -5.153 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN B 25 15.452 -5.790 -6.758 1.00 0.00 H new ATOM 0 HG3 GLN B 25 15.883 -4.114 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN B 25 12.558 -5.433 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN B 25 11.935 -4.947 -5.473 1.00 0.00 H new ATOM 1505 N GLY B 26 15.884 -3.757 -11.454 1.00 0.00 N ATOM 1506 CA GLY B 26 15.501 -3.850 -12.890 1.00 0.00 C ATOM 1507 C GLY B 26 14.147 -3.170 -13.099 1.00 0.00 C ATOM 1508 O GLY B 26 13.328 -3.623 -13.872 1.00 0.00 O ATOM 0 H GLY B 26 16.595 -3.057 -11.241 1.00 0.00 H new ATOM 0 HA2 GLY B 26 16.259 -3.374 -13.512 1.00 0.00 H new ATOM 0 HA3 GLY B 26 15.447 -4.895 -13.197 1.00 0.00 H new ATOM 1512 N MET B 27 13.905 -2.085 -12.414 1.00 0.00 N ATOM 1513 CA MET B 27 12.598 -1.380 -12.574 1.00 0.00 C ATOM 1514 C MET B 27 12.590 -0.555 -13.861 1.00 0.00 C ATOM 1515 O MET B 27 13.548 0.124 -14.175 1.00 0.00 O ATOM 1516 CB MET B 27 12.480 -0.473 -11.351 1.00 0.00 C ATOM 1517 CG MET B 27 11.021 -0.049 -11.170 1.00 0.00 C ATOM 1518 SD MET B 27 10.709 1.453 -12.126 1.00 0.00 S ATOM 1519 CE MET B 27 11.548 2.604 -11.012 1.00 0.00 C ATOM 0 H MET B 27 14.552 -1.657 -11.752 1.00 0.00 H new ATOM 0 HA MET B 27 11.763 -2.077 -12.644 1.00 0.00 H new ATOM 0 HB2 MET B 27 12.831 -0.996 -10.462 1.00 0.00 H new ATOM 0 HB3 MET B 27 13.113 0.406 -11.474 1.00 0.00 H new ATOM 0 HG2 MET B 27 10.355 -0.847 -11.499 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.810 0.128 -10.115 1.00 0.00 H new ATOM 0 HE1 MET B 27 10.920 3.480 -10.854 1.00 0.00 H new ATOM 0 HE2 MET B 27 11.735 2.114 -10.056 1.00 0.00 H new ATOM 0 HE3 MET B 27 12.496 2.912 -11.454 1.00 0.00 H new ATOM 1529 N PRO B 28 11.499 -0.651 -14.571 1.00 0.00 N ATOM 1530 CA PRO B 28 11.349 0.086 -15.849 1.00 0.00 C ATOM 1531 C PRO B 28 11.098 1.580 -15.606 1.00 0.00 C ATOM 1532 O PRO B 28 9.966 2.042 -15.574 1.00 0.00 O ATOM 1533 CB PRO B 28 10.133 -0.567 -16.495 1.00 0.00 C ATOM 1534 CG PRO B 28 9.344 -1.131 -15.358 1.00 0.00 C ATOM 1535 CD PRO B 28 10.315 -1.453 -14.253 1.00 0.00 C ATOM 0 HA PRO B 28 12.244 0.036 -16.469 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.548 0.160 -17.059 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.430 -1.348 -17.195 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.597 -0.414 -15.016 1.00 0.00 H new ATOM 0 HG3 PRO B 28 8.807 -2.027 -15.670 1.00 0.00 H new ATOM 0 HD2 PRO B 28 9.908 -1.192 -13.276 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.550 -2.517 -14.227 1.00 0.00 H new ATOM 1543 N VAL B 29 12.140 2.350 -15.453 1.00 0.00 N ATOM 1544 CA VAL B 29 11.947 3.807 -15.244 1.00 0.00 C ATOM 1545 C VAL B 29 11.870 4.502 -16.610 1.00 0.00 C ATOM 1546 O VAL B 29 12.476 4.076 -17.574 1.00 0.00 O ATOM 1547 CB VAL B 29 13.133 4.289 -14.394 1.00 0.00 C ATOM 1548 CG1 VAL B 29 13.667 3.174 -13.504 1.00 0.00 C ATOM 1549 CG2 VAL B 29 14.249 4.762 -15.280 1.00 0.00 C ATOM 0 H VAL B 29 13.110 2.033 -15.464 1.00 0.00 H new ATOM 0 HA VAL B 29 11.019 4.041 -14.723 1.00 0.00 H new ATOM 0 HB VAL B 29 12.773 5.106 -13.769 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.505 3.548 -12.916 1.00 0.00 H new ATOM 0 HG12 VAL B 29 12.877 2.833 -12.834 1.00 0.00 H new ATOM 0 HG13 VAL B 29 14.001 2.342 -14.124 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.083 5.101 -14.665 1.00 0.00 H new ATOM 0 HG22 VAL B 29 14.578 3.943 -15.919 1.00 0.00 H new ATOM 0 HG23 VAL B 29 13.897 5.586 -15.900 1.00 0.00 H new ATOM 1559 N LEU B 30 11.112 5.555 -16.697 1.00 0.00 N ATOM 1560 CA LEU B 30 10.958 6.280 -17.994 1.00 0.00 C ATOM 1561 C LEU B 30 12.301 6.454 -18.697 1.00 0.00 C ATOM 1562 O LEU B 30 12.600 5.805 -19.679 1.00 0.00 O ATOM 1563 CB LEU B 30 10.427 7.642 -17.586 1.00 0.00 C ATOM 1564 CG LEU B 30 8.942 7.774 -17.918 1.00 0.00 C ATOM 1565 CD1 LEU B 30 8.752 8.009 -19.415 1.00 0.00 C ATOM 1566 CD2 LEU B 30 8.186 6.511 -17.497 1.00 0.00 C ATOM 0 H LEU B 30 10.585 5.952 -15.919 1.00 0.00 H new ATOM 0 HA LEU B 30 10.310 5.742 -18.686 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.578 7.790 -16.517 1.00 0.00 H new ATOM 0 HB3 LEU B 30 10.988 8.423 -18.098 1.00 0.00 H new ATOM 0 HG LEU B 30 8.543 8.627 -17.369 1.00 0.00 H new ATOM 0 HD11 LEU B 30 7.689 8.101 -19.637 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.264 8.926 -19.707 1.00 0.00 H new ATOM 0 HD13 LEU B 30 9.167 7.168 -19.971 1.00 0.00 H new ATOM 0 HD21 LEU B 30 7.129 6.621 -17.740 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.593 5.650 -18.027 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.297 6.361 -16.423 1.00 0.00 H new ATOM 1697 N LEU B 40 12.692 9.038 -14.724 1.00 0.00 N ATOM 1698 CA LEU B 40 11.260 9.077 -14.324 1.00 0.00 C ATOM 1699 C LEU B 40 10.802 7.636 -14.148 1.00 0.00 C ATOM 1700 O LEU B 40 11.607 6.730 -14.136 1.00 0.00 O ATOM 1701 CB LEU B 40 10.517 9.742 -15.486 1.00 0.00 C ATOM 1702 CG LEU B 40 10.099 11.156 -15.101 1.00 0.00 C ATOM 1703 CD1 LEU B 40 9.061 11.093 -13.979 1.00 0.00 C ATOM 1704 CD2 LEU B 40 11.332 11.931 -14.633 1.00 0.00 C ATOM 0 HA LEU B 40 11.081 9.624 -13.398 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.157 9.771 -16.368 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.638 9.154 -15.750 1.00 0.00 H new ATOM 0 HG LEU B 40 9.660 11.661 -15.961 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.762 12.104 -13.703 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.188 10.537 -14.321 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.492 10.593 -13.112 1.00 0.00 H new ATOM 0 HD21 LEU B 40 11.041 12.944 -14.356 1.00 0.00 H new ATOM 0 HD22 LEU B 40 11.771 11.430 -13.770 1.00 0.00 H new ATOM 0 HD23 LEU B 40 12.064 11.972 -15.440 1.00 0.00 H new ATOM 1716 N TYR B 41 9.539 7.400 -14.004 1.00 0.00 N ATOM 1717 CA TYR B 41 9.086 5.994 -13.822 1.00 0.00 C ATOM 1718 C TYR B 41 7.728 5.782 -14.480 1.00 0.00 C ATOM 1719 O TYR B 41 6.752 6.396 -14.100 1.00 0.00 O ATOM 1720 CB TYR B 41 8.986 5.827 -12.308 1.00 0.00 C ATOM 1721 CG TYR B 41 10.322 6.152 -11.682 1.00 0.00 C ATOM 1722 CD1 TYR B 41 11.432 5.358 -11.975 1.00 0.00 C ATOM 1723 CD2 TYR B 41 10.455 7.240 -10.805 1.00 0.00 C ATOM 1724 CE1 TYR B 41 12.671 5.642 -11.398 1.00 0.00 C ATOM 1725 CE2 TYR B 41 11.697 7.521 -10.225 1.00 0.00 C ATOM 1726 CZ TYR B 41 12.804 6.721 -10.521 1.00 0.00 C ATOM 1727 OH TYR B 41 14.028 6.994 -9.944 1.00 0.00 O ATOM 0 H TYR B 41 8.803 8.106 -14.003 1.00 0.00 H new ATOM 0 HA TYR B 41 9.763 5.271 -14.277 1.00 0.00 H new ATOM 0 HB2 TYR B 41 8.214 6.485 -11.908 1.00 0.00 H new ATOM 0 HB3 TYR B 41 8.694 4.806 -12.061 1.00 0.00 H new ATOM 0 HD1 TYR B 41 11.332 4.521 -12.650 1.00 0.00 H new ATOM 0 HD2 TYR B 41 9.600 7.859 -10.578 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.528 5.027 -11.630 1.00 0.00 H new ATOM 0 HE2 TYR B 41 11.800 8.356 -9.548 1.00 0.00 H new ATOM 0 HH TYR B 41 14.242 7.943 -10.065 1.00 0.00 H new ATOM 1737 N ASP B 42 7.635 4.910 -15.454 1.00 0.00 N ATOM 1738 CA ASP B 42 6.292 4.704 -16.081 1.00 0.00 C ATOM 1739 C ASP B 42 5.408 3.988 -15.070 1.00 0.00 C ATOM 1740 O ASP B 42 5.397 2.775 -14.993 1.00 0.00 O ATOM 1741 CB ASP B 42 6.447 3.840 -17.348 1.00 0.00 C ATOM 1742 CG ASP B 42 7.900 3.761 -17.818 1.00 0.00 C ATOM 1743 OD1 ASP B 42 8.720 3.281 -17.058 1.00 0.00 O ATOM 1744 OD2 ASP B 42 8.165 4.180 -18.932 1.00 0.00 O ATOM 0 H ASP B 42 8.400 4.350 -15.831 1.00 0.00 H new ATOM 0 HA ASP B 42 5.846 5.659 -16.360 1.00 0.00 H new ATOM 0 HB2 ASP B 42 6.076 2.835 -17.148 1.00 0.00 H new ATOM 0 HB3 ASP B 42 5.831 4.254 -18.146 1.00 0.00 H new ATOM 1749 N SER B 43 4.689 4.735 -14.281 1.00 0.00 N ATOM 1750 CA SER B 43 3.813 4.119 -13.247 1.00 0.00 C ATOM 1751 C SER B 43 3.195 2.821 -13.762 1.00 0.00 C ATOM 1752 O SER B 43 2.934 1.911 -13.003 1.00 0.00 O ATOM 1753 CB SER B 43 2.736 5.164 -12.976 1.00 0.00 C ATOM 1754 OG SER B 43 3.350 6.338 -12.464 1.00 0.00 O ATOM 0 H SER B 43 4.671 5.754 -14.308 1.00 0.00 H new ATOM 0 HA SER B 43 4.365 3.856 -12.345 1.00 0.00 H new ATOM 0 HB2 SER B 43 2.193 5.392 -13.893 1.00 0.00 H new ATOM 0 HB3 SER B 43 2.008 4.778 -12.263 1.00 0.00 H new ATOM 0 HG SER B 43 2.666 6.920 -12.072 1.00 0.00 H new ATOM 1760 N ALA B 44 2.971 2.715 -15.045 1.00 0.00 N ATOM 1761 CA ALA B 44 2.378 1.456 -15.583 1.00 0.00 C ATOM 1762 C ALA B 44 3.483 0.435 -15.802 1.00 0.00 C ATOM 1763 O ALA B 44 3.362 -0.719 -15.452 1.00 0.00 O ATOM 1764 CB ALA B 44 1.730 1.823 -16.916 1.00 0.00 C ATOM 0 H ALA B 44 3.170 3.437 -15.737 1.00 0.00 H new ATOM 0 HA ALA B 44 1.648 1.025 -14.898 1.00 0.00 H new ATOM 0 HB1 ALA B 44 1.278 0.935 -17.357 1.00 0.00 H new ATOM 0 HB2 ALA B 44 0.961 2.578 -16.751 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.488 2.218 -17.592 1.00 0.00 H new ATOM 1770 N ALA B 45 4.573 0.860 -16.360 1.00 0.00 N ATOM 1771 CA ALA B 45 5.692 -0.083 -16.571 1.00 0.00 C ATOM 1772 C ALA B 45 6.291 -0.398 -15.208 1.00 0.00 C ATOM 1773 O ALA B 45 6.829 -1.462 -14.970 1.00 0.00 O ATOM 1774 CB ALA B 45 6.696 0.663 -17.455 1.00 0.00 C ATOM 0 H ALA B 45 4.737 1.815 -16.678 1.00 0.00 H new ATOM 0 HA ALA B 45 5.394 -1.020 -17.042 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.554 0.021 -17.652 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.220 0.933 -18.398 1.00 0.00 H new ATOM 0 HB3 ALA B 45 7.029 1.567 -16.945 1.00 0.00 H new ATOM 1780 N VAL B 46 6.179 0.539 -14.306 1.00 0.00 N ATOM 1781 CA VAL B 46 6.722 0.340 -12.941 1.00 0.00 C ATOM 1782 C VAL B 46 5.868 -0.673 -12.164 1.00 0.00 C ATOM 1783 O VAL B 46 6.286 -1.181 -11.147 1.00 0.00 O ATOM 1784 CB VAL B 46 6.671 1.730 -12.297 1.00 0.00 C ATOM 1785 CG1 VAL B 46 7.061 1.643 -10.821 1.00 0.00 C ATOM 1786 CG2 VAL B 46 7.655 2.659 -13.014 1.00 0.00 C ATOM 0 H VAL B 46 5.729 1.441 -14.463 1.00 0.00 H new ATOM 0 HA VAL B 46 7.734 -0.064 -12.947 1.00 0.00 H new ATOM 0 HB VAL B 46 5.656 2.119 -12.381 1.00 0.00 H new ATOM 0 HG11 VAL B 46 7.021 2.637 -10.375 1.00 0.00 H new ATOM 0 HG12 VAL B 46 6.368 0.983 -10.300 1.00 0.00 H new ATOM 0 HG13 VAL B 46 8.073 1.247 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.620 3.648 -12.557 1.00 0.00 H new ATOM 0 HG22 VAL B 46 8.664 2.256 -12.929 1.00 0.00 H new ATOM 0 HG23 VAL B 46 7.382 2.735 -14.067 1.00 0.00 H new ATOM 1796 N ILE B 47 4.685 -0.996 -12.636 1.00 0.00 N ATOM 1797 CA ILE B 47 3.857 -2.005 -11.892 1.00 0.00 C ATOM 1798 C ILE B 47 3.979 -3.373 -12.513 1.00 0.00 C ATOM 1799 O ILE B 47 4.326 -4.320 -11.853 1.00 0.00 O ATOM 1800 CB ILE B 47 2.393 -1.600 -11.951 1.00 0.00 C ATOM 1801 CG1 ILE B 47 2.071 -0.815 -13.215 1.00 0.00 C ATOM 1802 CG2 ILE B 47 2.057 -0.776 -10.729 1.00 0.00 C ATOM 1803 CD1 ILE B 47 0.701 -0.177 -13.053 1.00 0.00 C ATOM 0 H ILE B 47 4.264 -0.616 -13.484 1.00 0.00 H new ATOM 0 HA ILE B 47 4.217 -2.038 -10.864 1.00 0.00 H new ATOM 0 HB ILE B 47 1.789 -2.507 -11.970 1.00 0.00 H new ATOM 0 HG12 ILE B 47 2.827 -0.049 -13.388 1.00 0.00 H new ATOM 0 HG13 ILE B 47 2.081 -1.474 -14.083 1.00 0.00 H new ATOM 0 HG21 ILE B 47 1.008 -0.482 -10.765 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.237 -1.367 -9.831 1.00 0.00 H new ATOM 0 HG23 ILE B 47 2.683 0.116 -10.708 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.455 0.390 -13.951 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -0.047 -0.955 -12.899 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.711 0.492 -12.193 1.00 0.00 H new ATOM 1815 N LYS B 48 3.675 -3.501 -13.767 1.00 0.00 N ATOM 1816 CA LYS B 48 3.766 -4.834 -14.394 1.00 0.00 C ATOM 1817 C LYS B 48 5.081 -5.484 -13.928 1.00 0.00 C ATOM 1818 O LYS B 48 5.190 -6.685 -13.766 1.00 0.00 O ATOM 1819 CB LYS B 48 3.730 -4.546 -15.909 1.00 0.00 C ATOM 1820 CG LYS B 48 4.938 -5.171 -16.620 1.00 0.00 C ATOM 1821 CD LYS B 48 4.876 -4.843 -18.113 1.00 0.00 C ATOM 1822 CE LYS B 48 5.487 -3.461 -18.360 1.00 0.00 C ATOM 1823 NZ LYS B 48 5.546 -3.329 -19.842 1.00 0.00 N ATOM 0 H LYS B 48 3.370 -2.745 -14.380 1.00 0.00 H new ATOM 0 HA LYS B 48 2.967 -5.527 -14.130 1.00 0.00 H new ATOM 0 HB2 LYS B 48 2.808 -4.942 -16.336 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.722 -3.469 -16.077 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.864 -4.789 -16.191 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.941 -6.251 -16.474 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.416 -5.598 -18.684 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.842 -4.862 -18.457 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.877 -2.674 -17.917 1.00 0.00 H new ATOM 0 HE3 LYS B 48 6.479 -3.383 -17.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 5.954 -2.406 -20.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 6.139 -4.088 -20.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.586 -3.401 -20.235 1.00 0.00 H new ATOM 1837 N TRP B 49 6.061 -4.659 -13.674 1.00 0.00 N ATOM 1838 CA TRP B 49 7.379 -5.153 -13.185 1.00 0.00 C ATOM 1839 C TRP B 49 7.363 -5.263 -11.648 1.00 0.00 C ATOM 1840 O TRP B 49 8.059 -6.070 -11.073 1.00 0.00 O ATOM 1841 CB TRP B 49 8.368 -4.089 -13.673 1.00 0.00 C ATOM 1842 CG TRP B 49 9.578 -4.049 -12.799 1.00 0.00 C ATOM 1843 CD1 TRP B 49 10.774 -4.591 -13.110 1.00 0.00 C ATOM 1844 CD2 TRP B 49 9.731 -3.437 -11.489 1.00 0.00 C ATOM 1845 NE1 TRP B 49 11.658 -4.345 -12.075 1.00 0.00 N ATOM 1846 CE2 TRP B 49 11.060 -3.640 -11.050 1.00 0.00 C ATOM 1847 CE3 TRP B 49 8.853 -2.730 -10.646 1.00 0.00 C ATOM 1848 CZ2 TRP B 49 11.504 -3.158 -9.820 1.00 0.00 C ATOM 1849 CZ3 TRP B 49 9.298 -2.246 -9.407 1.00 0.00 C ATOM 1850 CH2 TRP B 49 10.622 -2.459 -8.997 1.00 0.00 C ATOM 0 H TRP B 49 6.002 -3.647 -13.787 1.00 0.00 H new ATOM 0 HA TRP B 49 7.639 -6.147 -13.550 1.00 0.00 H new ATOM 0 HB2 TRP B 49 8.663 -4.304 -14.700 1.00 0.00 H new ATOM 0 HB3 TRP B 49 7.885 -3.112 -13.678 1.00 0.00 H new ATOM 0 HD1 TRP B 49 11.003 -5.129 -14.018 1.00 0.00 H new ATOM 0 HE1 TRP B 49 12.632 -4.647 -12.070 1.00 0.00 H new ATOM 0 HE3 TRP B 49 7.832 -2.559 -10.955 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 12.524 -3.325 -9.507 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 8.617 -1.706 -8.765 1.00 0.00 H new ATOM 0 HH2 TRP B 49 10.959 -2.081 -8.043 1.00 0.00 H new ATOM 1861 N TYR B 50 6.561 -4.468 -10.984 1.00 0.00 N ATOM 1862 CA TYR B 50 6.479 -4.538 -9.490 1.00 0.00 C ATOM 1863 C TYR B 50 5.414 -5.568 -9.099 1.00 0.00 C ATOM 1864 O TYR B 50 5.534 -6.286 -8.128 1.00 0.00 O ATOM 1865 CB TYR B 50 6.075 -3.112 -9.072 1.00 0.00 C ATOM 1866 CG TYR B 50 5.160 -3.107 -7.859 1.00 0.00 C ATOM 1867 CD1 TYR B 50 3.835 -3.567 -7.956 1.00 0.00 C ATOM 1868 CD2 TYR B 50 5.637 -2.615 -6.640 1.00 0.00 C ATOM 1869 CE1 TYR B 50 2.998 -3.535 -6.832 1.00 0.00 C ATOM 1870 CE2 TYR B 50 4.801 -2.585 -5.519 1.00 0.00 C ATOM 1871 CZ TYR B 50 3.482 -3.044 -5.614 1.00 0.00 C ATOM 1872 OH TYR B 50 2.657 -3.011 -4.507 1.00 0.00 O ATOM 0 H TYR B 50 5.956 -3.769 -11.414 1.00 0.00 H new ATOM 0 HA TYR B 50 7.406 -4.847 -9.007 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.971 -2.532 -8.851 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.574 -2.619 -9.905 1.00 0.00 H new ATOM 0 HD1 TYR B 50 3.462 -3.945 -8.896 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.653 -2.257 -6.564 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.980 -3.889 -6.906 1.00 0.00 H new ATOM 0 HE2 TYR B 50 5.174 -2.207 -4.578 1.00 0.00 H new ATOM 0 HH TYR B 50 3.149 -2.643 -3.743 1.00 0.00 H new ATOM 1882 N ALA B 51 4.380 -5.651 -9.873 1.00 0.00 N ATOM 1883 CA ALA B 51 3.306 -6.621 -9.589 1.00 0.00 C ATOM 1884 C ALA B 51 3.855 -8.024 -9.777 1.00 0.00 C ATOM 1885 O ALA B 51 3.325 -8.987 -9.260 1.00 0.00 O ATOM 1886 CB ALA B 51 2.238 -6.317 -10.636 1.00 0.00 C ATOM 0 H ALA B 51 4.233 -5.078 -10.704 1.00 0.00 H new ATOM 0 HA ALA B 51 2.912 -6.553 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.394 -6.994 -10.502 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.899 -5.287 -10.522 1.00 0.00 H new ATOM 0 HB3 ALA B 51 2.657 -6.452 -11.633 1.00 0.00 H new