USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 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 37 LYS NZ :NH3+ 159:sc= 0.0473 (180deg=0) USER MOD Set 1.2: B 101 SER OG : rot 46:sc= 0.355 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0 (180deg=-0.147) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.23) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 139:sc= 0.717 (180deg=0.0681) USER MOD Single : A 14 GLN : amide:sc= -0.558 X(o=-0.56,f=-1) USER MOD Single : A 15 ASN : amide:sc= 0.158 X(o=0.16,f=-0.22) USER MOD Single : A 17 MET CE :methyl -117:sc= -0.163 (180deg=-1.48) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.072) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0049 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc=-0.00989 (180deg=-0.191) USER MOD Single : A 56 GLN : amide:sc= -0.483 K(o=-0.48,f=-3.7!) USER MOD Single : A 59 SER OG : rot -22:sc= 1.16 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00697 USER MOD Single : A 70 GLN : amide:sc= -6.27! C(o=-6.3!,f=-12!) USER MOD Single : A 77 MET CE :methyl -136:sc= -2.92! (180deg=-4.92!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -93:sc= 0.389 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -2.42 K(o=-2.4,f=-3.8!) USER MOD Single : B 102 THR OG1 : rot 180:sc=0.000786 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.436 3.143 -20.697 1.00 0.00 N ATOM 2 CA MET A 1 -3.749 4.294 -19.805 1.00 0.00 C ATOM 3 C MET A 1 -5.129 4.872 -20.113 1.00 0.00 C ATOM 4 O MET A 1 -5.397 5.303 -21.236 1.00 0.00 O ATOM 5 CB MET A 1 -2.664 5.372 -19.972 1.00 0.00 C ATOM 6 CG MET A 1 -2.370 5.746 -21.419 1.00 0.00 C ATOM 7 SD MET A 1 -1.375 7.243 -21.562 1.00 0.00 S ATOM 8 CE MET A 1 -0.438 6.889 -23.048 1.00 0.00 C ATOM 0 H1 MET A 1 -2.432 2.890 -20.597 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.027 2.329 -20.433 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.630 3.406 -21.684 1.00 0.00 H new ATOM 0 HA MET A 1 -3.763 3.946 -18.772 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.972 6.268 -19.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.744 5.020 -19.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.849 4.921 -21.905 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.310 5.887 -21.952 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.226 7.725 -23.268 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.154 5.986 -22.899 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.123 6.740 -23.883 1.00 0.00 H new ATOM 20 N LYS A 2 -6.004 4.869 -19.107 1.00 0.00 N ATOM 21 CA LYS A 2 -7.362 5.388 -19.262 1.00 0.00 C ATOM 22 C LYS A 2 -7.975 5.738 -17.904 1.00 0.00 C ATOM 23 O LYS A 2 -9.152 5.465 -17.658 1.00 0.00 O ATOM 24 CB LYS A 2 -8.241 4.362 -19.987 1.00 0.00 C ATOM 25 CG LYS A 2 -9.286 4.990 -20.899 1.00 0.00 C ATOM 26 CD LYS A 2 -10.644 4.318 -20.740 1.00 0.00 C ATOM 27 CE LYS A 2 -11.675 5.262 -20.133 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.685 5.200 -18.644 1.00 0.00 N ATOM 0 H LYS A 2 -5.795 4.512 -18.175 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.311 6.299 -19.858 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.604 3.703 -20.578 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.744 3.739 -19.247 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.376 6.052 -20.673 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.959 4.911 -21.936 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.995 3.973 -21.713 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.541 3.436 -20.107 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.463 6.283 -20.451 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.665 5.009 -20.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.424 5.832 -18.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.879 4.225 -18.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.759 5.499 -18.278 1.00 0.00 H new ATOM 42 N GLU A 3 -7.169 6.347 -17.029 1.00 0.00 N ATOM 43 CA GLU A 3 -7.619 6.745 -15.694 1.00 0.00 C ATOM 44 C GLU A 3 -8.042 5.534 -14.858 1.00 0.00 C ATOM 45 O GLU A 3 -9.160 5.030 -14.997 1.00 0.00 O ATOM 46 CB GLU A 3 -8.772 7.745 -15.791 1.00 0.00 C ATOM 47 CG GLU A 3 -8.505 8.892 -16.754 1.00 0.00 C ATOM 48 CD GLU A 3 -9.294 10.142 -16.413 1.00 0.00 C ATOM 49 OE1 GLU A 3 -9.340 10.512 -15.219 1.00 0.00 O ATOM 50 OE2 GLU A 3 -9.864 10.753 -17.341 1.00 0.00 O ATOM 0 H GLU A 3 -6.194 6.576 -17.225 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.776 7.222 -15.193 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.673 7.219 -16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.972 8.153 -14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.441 9.126 -16.746 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.754 8.576 -17.767 1.00 0.00 H new ATOM 57 N PRO A 4 -7.148 5.050 -13.972 1.00 0.00 N ATOM 58 CA PRO A 4 -7.430 3.894 -13.108 1.00 0.00 C ATOM 59 C PRO A 4 -8.514 4.179 -12.063 1.00 0.00 C ATOM 60 O PRO A 4 -9.139 5.242 -12.076 1.00 0.00 O ATOM 61 CB PRO A 4 -6.086 3.623 -12.425 1.00 0.00 C ATOM 62 CG PRO A 4 -5.362 4.924 -12.473 1.00 0.00 C ATOM 63 CD PRO A 4 -5.793 5.590 -13.748 1.00 0.00 C ATOM 0 HA PRO A 4 -7.814 3.050 -13.681 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.226 3.286 -11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.530 2.842 -12.943 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.609 5.540 -11.608 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.283 4.771 -12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.804 6.676 -13.651 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.123 5.350 -14.574 1.00 0.00 H new ATOM 71 N GLU A 5 -8.731 3.219 -11.162 1.00 0.00 N ATOM 72 CA GLU A 5 -9.738 3.355 -10.113 1.00 0.00 C ATOM 73 C GLU A 5 -9.092 3.354 -8.733 1.00 0.00 C ATOM 74 O GLU A 5 -8.864 2.300 -8.136 1.00 0.00 O ATOM 75 CB GLU A 5 -10.763 2.225 -10.217 1.00 0.00 C ATOM 76 CG GLU A 5 -11.957 2.391 -9.289 1.00 0.00 C ATOM 77 CD GLU A 5 -12.668 1.081 -9.015 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.151 0.281 -8.204 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.741 0.852 -9.611 1.00 0.00 O ATOM 0 H GLU A 5 -8.220 2.337 -11.140 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.246 4.310 -10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.120 2.164 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.270 1.279 -9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.622 2.823 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.661 3.097 -9.731 1.00 0.00 H new ATOM 86 N ILE A 6 -8.803 4.548 -8.235 1.00 0.00 N ATOM 87 CA ILE A 6 -8.184 4.709 -6.925 1.00 0.00 C ATOM 88 C ILE A 6 -9.251 4.852 -5.838 1.00 0.00 C ATOM 89 O ILE A 6 -10.208 5.613 -5.997 1.00 0.00 O ATOM 90 CB ILE A 6 -7.260 5.944 -6.904 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.202 5.843 -8.007 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.596 6.103 -5.543 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.889 7.170 -8.664 1.00 0.00 C ATOM 0 H ILE A 6 -8.988 5.425 -8.721 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.589 3.818 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.872 6.827 -7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.286 5.430 -7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.546 5.142 -8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.950 6.981 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.362 6.225 -4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.001 5.217 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.132 7.025 -9.435 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.795 7.575 -9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.514 7.868 -7.915 1.00 0.00 H new ATOM 105 N ILE A 7 -9.078 4.117 -4.737 1.00 0.00 N ATOM 106 CA ILE A 7 -10.027 4.163 -3.624 1.00 0.00 C ATOM 107 C ILE A 7 -9.322 3.935 -2.288 1.00 0.00 C ATOM 108 O ILE A 7 -8.340 3.192 -2.212 1.00 0.00 O ATOM 109 CB ILE A 7 -11.153 3.112 -3.778 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.566 1.701 -3.889 1.00 0.00 C ATOM 111 CG2 ILE A 7 -12.022 3.426 -4.989 1.00 0.00 C ATOM 112 CD1 ILE A 7 -11.302 0.676 -3.055 1.00 0.00 C ATOM 0 H ILE A 7 -8.291 3.484 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.470 5.159 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.780 3.153 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.584 1.389 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.521 1.725 -3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.807 2.675 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.474 4.410 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.408 3.418 -5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.833 -0.300 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.262 0.965 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.342 0.623 -3.377 1.00 0.00 H new ATOM 124 N THR A 8 -9.831 4.576 -1.237 1.00 0.00 N ATOM 125 CA THR A 8 -9.254 4.443 0.098 1.00 0.00 C ATOM 126 C THR A 8 -10.204 3.696 1.031 1.00 0.00 C ATOM 127 O THR A 8 -11.362 4.087 1.195 1.00 0.00 O ATOM 128 CB THR A 8 -8.926 5.823 0.681 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.452 6.696 -0.330 1.00 0.00 O ATOM 130 CG2 THR A 8 -7.880 5.780 1.775 1.00 0.00 C ATOM 0 H THR A 8 -10.642 5.193 -1.285 1.00 0.00 H new ATOM 0 HA THR A 8 -8.332 3.868 0.010 1.00 0.00 H new ATOM 0 HB THR A 8 -9.862 6.183 1.109 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.250 7.571 0.062 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.696 6.790 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.236 5.155 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.954 5.364 1.377 1.00 0.00 H new ATOM 138 N VAL A 9 -9.708 2.619 1.637 1.00 0.00 N ATOM 139 CA VAL A 9 -10.512 1.814 2.553 1.00 0.00 C ATOM 140 C VAL A 9 -10.184 2.132 4.010 1.00 0.00 C ATOM 141 O VAL A 9 -9.015 2.251 4.382 1.00 0.00 O ATOM 142 CB VAL A 9 -10.312 0.302 2.312 1.00 0.00 C ATOM 143 CG1 VAL A 9 -11.023 -0.130 1.038 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.831 -0.052 2.254 1.00 0.00 C ATOM 0 H VAL A 9 -8.753 2.284 1.510 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.553 2.070 2.354 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.750 -0.238 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.873 -1.198 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.089 0.077 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.617 0.421 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.719 -1.123 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.357 0.497 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.355 0.217 3.197 1.00 0.00 H new ATOM 154 N THR A 10 -11.225 2.265 4.828 1.00 0.00 N ATOM 155 CA THR A 10 -11.058 2.565 6.247 1.00 0.00 C ATOM 156 C THR A 10 -11.272 1.309 7.090 1.00 0.00 C ATOM 157 O THR A 10 -12.409 0.938 7.390 1.00 0.00 O ATOM 158 CB THR A 10 -12.035 3.664 6.679 1.00 0.00 C ATOM 159 OG1 THR A 10 -12.180 4.644 5.662 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.611 4.376 7.945 1.00 0.00 C ATOM 0 H THR A 10 -12.196 2.169 4.531 1.00 0.00 H new ATOM 0 HA THR A 10 -10.039 2.920 6.405 1.00 0.00 H new ATOM 0 HB THR A 10 -12.978 3.151 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.809 5.334 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.346 5.141 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.543 3.657 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.638 4.843 7.791 1.00 0.00 H new ATOM 168 N LEU A 11 -10.174 0.655 7.463 1.00 0.00 N ATOM 169 CA LEU A 11 -10.238 -0.565 8.267 1.00 0.00 C ATOM 170 C LEU A 11 -9.451 -0.403 9.567 1.00 0.00 C ATOM 171 O LEU A 11 -8.627 0.505 9.694 1.00 0.00 O ATOM 172 CB LEU A 11 -9.694 -1.757 7.471 1.00 0.00 C ATOM 173 CG LEU A 11 -10.312 -1.950 6.083 1.00 0.00 C ATOM 174 CD1 LEU A 11 -9.344 -2.680 5.163 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.628 -2.707 6.184 1.00 0.00 C ATOM 0 H LEU A 11 -9.228 0.949 7.221 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.283 -0.751 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.617 -1.637 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.854 -2.665 8.052 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.514 -0.967 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.801 -2.808 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.428 -2.098 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.109 -3.658 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.052 -2.834 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.452 -3.685 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.325 -2.144 6.805 1.00 0.00 H new ATOM 187 N LYS A 12 -9.707 -1.291 10.527 1.00 0.00 N ATOM 188 CA LYS A 12 -9.020 -1.247 11.816 1.00 0.00 C ATOM 189 C LYS A 12 -8.032 -2.405 11.946 1.00 0.00 C ATOM 190 O LYS A 12 -8.312 -3.524 11.514 1.00 0.00 O ATOM 191 CB LYS A 12 -10.028 -1.290 12.967 1.00 0.00 C ATOM 192 CG LYS A 12 -10.837 -0.011 13.119 1.00 0.00 C ATOM 193 CD LYS A 12 -11.829 -0.110 14.270 1.00 0.00 C ATOM 194 CE LYS A 12 -12.654 1.162 14.409 1.00 0.00 C ATOM 195 NZ LYS A 12 -13.524 1.138 15.620 1.00 0.00 N ATOM 0 H LYS A 12 -10.384 -2.048 10.436 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.466 -0.309 11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.711 -2.125 12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.495 -1.485 13.898 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.163 0.829 13.290 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.373 0.194 12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.493 -0.959 14.107 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.292 -0.299 15.199 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.987 2.022 14.460 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.273 1.291 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.067 2.023 15.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.179 0.333 15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.933 1.042 16.470 1.00 0.00 H new ATOM 209 N LYS A 13 -6.876 -2.125 12.546 1.00 0.00 N ATOM 210 CA LYS A 13 -5.843 -3.141 12.737 1.00 0.00 C ATOM 211 C LYS A 13 -6.189 -4.060 13.906 1.00 0.00 C ATOM 212 O LYS A 13 -6.167 -3.640 15.065 1.00 0.00 O ATOM 213 CB LYS A 13 -4.484 -2.480 12.982 1.00 0.00 C ATOM 214 CG LYS A 13 -3.819 -1.957 11.719 1.00 0.00 C ATOM 215 CD LYS A 13 -3.033 -0.680 11.983 1.00 0.00 C ATOM 216 CE LYS A 13 -1.882 -0.915 12.954 1.00 0.00 C ATOM 217 NZ LYS A 13 -2.176 -0.385 14.317 1.00 0.00 N ATOM 0 H LYS A 13 -6.632 -1.203 12.908 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.791 -3.741 11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.613 -1.654 13.682 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.820 -3.201 13.459 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.151 -2.719 11.317 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.578 -1.767 10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.642 -0.293 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.701 0.081 12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.676 -1.983 13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.981 -0.439 12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.836 -1.059 15.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.695 0.528 14.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.202 -0.254 14.425 1.00 0.00 H new ATOM 231 N GLN A 14 -6.503 -5.317 13.594 1.00 0.00 N ATOM 232 CA GLN A 14 -6.848 -6.299 14.623 1.00 0.00 C ATOM 233 C GLN A 14 -5.587 -6.913 15.235 1.00 0.00 C ATOM 234 O GLN A 14 -5.496 -7.086 16.452 1.00 0.00 O ATOM 235 CB GLN A 14 -7.759 -7.402 14.055 1.00 0.00 C ATOM 236 CG GLN A 14 -7.305 -7.981 12.719 1.00 0.00 C ATOM 237 CD GLN A 14 -8.262 -7.673 11.577 1.00 0.00 C ATOM 238 OE1 GLN A 14 -8.540 -8.535 10.742 1.00 0.00 O ATOM 239 NE2 GLN A 14 -8.772 -6.446 11.531 1.00 0.00 N ATOM 0 H GLN A 14 -6.526 -5.679 12.641 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.395 -5.777 15.408 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.823 -8.211 14.783 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.765 -6.998 13.937 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.319 -7.586 12.475 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.200 -9.062 12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.517 -5.761 12.242 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.419 -6.190 10.785 1.00 0.00 H new ATOM 248 N ASN A 15 -4.616 -7.235 14.379 1.00 0.00 N ATOM 249 CA ASN A 15 -3.351 -7.824 14.816 1.00 0.00 C ATOM 250 C ASN A 15 -2.328 -7.822 13.674 1.00 0.00 C ATOM 251 O ASN A 15 -1.552 -8.767 13.518 1.00 0.00 O ATOM 252 CB ASN A 15 -3.576 -9.254 15.329 1.00 0.00 C ATOM 253 CG ASN A 15 -4.312 -10.131 14.329 1.00 0.00 C ATOM 254 OD1 ASN A 15 -5.536 -10.243 14.374 1.00 0.00 O ATOM 255 ND2 ASN A 15 -3.570 -10.760 13.422 1.00 0.00 N ATOM 0 H ASN A 15 -4.684 -7.096 13.371 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.955 -7.218 15.631 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.612 -9.707 15.562 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.144 -9.216 16.259 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.014 -11.363 12.729 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.557 -10.640 13.419 1.00 0.00 H new ATOM 262 N GLY A 16 -2.342 -6.752 12.872 1.00 0.00 N ATOM 263 CA GLY A 16 -1.425 -6.641 11.749 1.00 0.00 C ATOM 264 C GLY A 16 -2.150 -6.667 10.415 1.00 0.00 C ATOM 265 O GLY A 16 -3.367 -6.869 10.370 1.00 0.00 O ATOM 0 H GLY A 16 -2.975 -5.960 12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.858 -5.714 11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.706 -7.459 11.786 1.00 0.00 H new ATOM 269 N MET A 17 -1.410 -6.458 9.327 1.00 0.00 N ATOM 270 CA MET A 17 -2.001 -6.453 7.991 1.00 0.00 C ATOM 271 C MET A 17 -1.695 -7.749 7.243 1.00 0.00 C ATOM 272 O MET A 17 -2.590 -8.355 6.654 1.00 0.00 O ATOM 273 CB MET A 17 -1.503 -5.245 7.192 1.00 0.00 C ATOM 274 CG MET A 17 -2.390 -4.020 7.351 1.00 0.00 C ATOM 275 SD MET A 17 -2.139 -2.801 6.047 1.00 0.00 S ATOM 276 CE MET A 17 -0.564 -2.099 6.533 1.00 0.00 C ATOM 0 H MET A 17 -0.404 -6.291 9.345 1.00 0.00 H new ATOM 0 HA MET A 17 -3.083 -6.379 8.104 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.491 -4.998 7.511 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.448 -5.512 6.137 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.435 -4.332 7.355 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.192 -3.557 8.318 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.693 -1.042 6.767 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.188 -2.622 7.412 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.149 -2.205 5.716 1.00 0.00 H new ATOM 286 N GLY A 18 -0.432 -8.171 7.274 1.00 0.00 N ATOM 287 CA GLY A 18 -0.041 -9.395 6.598 1.00 0.00 C ATOM 288 C GLY A 18 -0.188 -9.307 5.090 1.00 0.00 C ATOM 289 O GLY A 18 -1.181 -9.772 4.531 1.00 0.00 O ATOM 0 H GLY A 18 0.326 -7.687 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.995 -9.626 6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.648 -10.220 6.970 1.00 0.00 H new ATOM 293 N LEU A 19 0.804 -8.709 4.432 1.00 0.00 N ATOM 294 CA LEU A 19 0.792 -8.563 2.974 1.00 0.00 C ATOM 295 C LEU A 19 2.202 -8.298 2.441 1.00 0.00 C ATOM 296 O LEU A 19 3.161 -8.226 3.209 1.00 0.00 O ATOM 297 CB LEU A 19 -0.159 -7.436 2.557 1.00 0.00 C ATOM 298 CG LEU A 19 0.174 -6.063 3.135 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.935 -5.228 2.114 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.092 -5.347 3.583 1.00 0.00 C ATOM 0 H LEU A 19 1.629 -8.316 4.885 1.00 0.00 H new ATOM 0 HA LEU A 19 0.435 -9.498 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.159 -7.365 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.171 -7.705 2.859 1.00 0.00 H new ATOM 0 HG LEU A 19 0.811 -6.201 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.165 -4.252 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.862 -5.735 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.323 -5.098 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.832 -4.370 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.758 -5.218 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.593 -5.939 4.349 1.00 0.00 H new ATOM 312 N SER A 20 2.323 -8.156 1.123 1.00 0.00 N ATOM 313 CA SER A 20 3.618 -7.904 0.493 1.00 0.00 C ATOM 314 C SER A 20 3.532 -6.763 -0.517 1.00 0.00 C ATOM 315 O SER A 20 2.505 -6.579 -1.173 1.00 0.00 O ATOM 316 CB SER A 20 4.126 -9.173 -0.194 1.00 0.00 C ATOM 317 OG SER A 20 4.490 -10.156 0.759 1.00 0.00 O ATOM 0 H SER A 20 1.541 -8.211 0.470 1.00 0.00 H new ATOM 0 HA SER A 20 4.319 -7.612 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.353 -9.569 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.985 -8.933 -0.820 1.00 0.00 H new ATOM 0 HG SER A 20 4.810 -10.958 0.296 1.00 0.00 H new ATOM 323 N ILE A 21 4.620 -5.997 -0.635 1.00 0.00 N ATOM 324 CA ILE A 21 4.664 -4.867 -1.562 1.00 0.00 C ATOM 325 C ILE A 21 6.037 -4.728 -2.225 1.00 0.00 C ATOM 326 O ILE A 21 7.054 -5.142 -1.663 1.00 0.00 O ATOM 327 CB ILE A 21 4.307 -3.542 -0.852 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.106 -3.387 0.445 1.00 0.00 C ATOM 329 CG2 ILE A 21 2.813 -3.480 -0.569 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.509 -2.874 0.225 1.00 0.00 C ATOM 0 H ILE A 21 5.478 -6.139 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 21 3.922 -5.072 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 21 4.571 -2.717 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.577 -2.704 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.154 -4.351 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.576 -2.541 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.262 -3.540 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.529 -4.315 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.019 -2.788 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.054 -3.568 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.468 -1.896 -0.253 1.00 0.00 H new ATOM 342 N VAL A 22 6.055 -4.141 -3.427 1.00 0.00 N ATOM 343 CA VAL A 22 7.299 -3.944 -4.172 1.00 0.00 C ATOM 344 C VAL A 22 7.370 -2.541 -4.781 1.00 0.00 C ATOM 345 O VAL A 22 6.390 -2.045 -5.340 1.00 0.00 O ATOM 346 CB VAL A 22 7.457 -4.992 -5.297 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.803 -4.845 -5.996 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.291 -6.401 -4.749 1.00 0.00 C ATOM 0 H VAL A 22 5.222 -3.795 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 22 8.113 -4.064 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 22 6.672 -4.815 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.888 -5.594 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.879 -3.849 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.606 -4.986 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.406 -7.122 -5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.048 -6.587 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.300 -6.506 -4.308 1.00 0.00 H new ATOM 358 N ALA A 23 8.542 -1.913 -4.666 1.00 0.00 N ATOM 359 CA ALA A 23 8.761 -0.569 -5.200 1.00 0.00 C ATOM 360 C ALA A 23 9.164 -0.622 -6.674 1.00 0.00 C ATOM 361 O ALA A 23 10.063 -1.376 -7.050 1.00 0.00 O ATOM 362 CB ALA A 23 9.829 0.153 -4.390 1.00 0.00 C ATOM 0 H ALA A 23 9.357 -2.317 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 23 7.824 -0.018 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.982 1.152 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.507 0.231 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.763 -0.406 -4.440 1.00 0.00 H new ATOM 368 N ALA A 24 8.496 0.182 -7.505 1.00 0.00 N ATOM 369 CA ALA A 24 8.792 0.222 -8.937 1.00 0.00 C ATOM 370 C ALA A 24 8.856 1.659 -9.454 1.00 0.00 C ATOM 371 O ALA A 24 8.081 2.517 -9.026 1.00 0.00 O ATOM 372 CB ALA A 24 7.755 -0.573 -9.718 1.00 0.00 C ATOM 0 H ALA A 24 7.749 0.812 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 24 9.772 -0.232 -9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.991 -0.532 -10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.764 -1.610 -9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.766 -0.146 -9.549 1.00 0.00 H new ATOM 378 N LYS A 25 9.784 1.908 -10.379 1.00 0.00 N ATOM 379 CA LYS A 25 9.959 3.238 -10.967 1.00 0.00 C ATOM 380 C LYS A 25 9.796 3.189 -12.487 1.00 0.00 C ATOM 381 O LYS A 25 9.547 2.126 -13.062 1.00 0.00 O ATOM 382 CB LYS A 25 11.338 3.803 -10.605 1.00 0.00 C ATOM 383 CG LYS A 25 11.294 5.220 -10.052 1.00 0.00 C ATOM 384 CD LYS A 25 12.432 6.069 -10.597 1.00 0.00 C ATOM 385 CE LYS A 25 12.828 7.166 -9.620 1.00 0.00 C ATOM 386 NZ LYS A 25 13.890 8.052 -10.174 1.00 0.00 N ATOM 0 H LYS A 25 10.428 1.204 -10.739 1.00 0.00 H new ATOM 0 HA LYS A 25 9.189 3.892 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.806 3.150 -9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.971 3.788 -11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.340 5.682 -10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.351 5.189 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.294 5.435 -10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.132 6.516 -11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.951 7.764 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.180 6.715 -8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.130 8.785 -9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.737 7.487 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.546 8.503 -11.046 1.00 0.00 H new ATOM 400 N GLY A 26 9.943 4.346 -13.135 1.00 0.00 N ATOM 401 CA GLY A 26 9.815 4.417 -14.578 1.00 0.00 C ATOM 402 C GLY A 26 10.390 5.703 -15.124 1.00 0.00 C ATOM 403 O GLY A 26 11.418 6.184 -14.637 1.00 0.00 O ATOM 0 H GLY A 26 10.149 5.236 -12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.326 3.568 -15.032 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.763 4.341 -14.855 1.00 0.00 H new ATOM 407 N ALA A 27 9.727 6.271 -16.122 1.00 0.00 N ATOM 408 CA ALA A 27 10.182 7.520 -16.713 1.00 0.00 C ATOM 409 C ALA A 27 9.307 8.682 -16.256 1.00 0.00 C ATOM 410 O ALA A 27 8.096 8.526 -16.079 1.00 0.00 O ATOM 411 CB ALA A 27 10.202 7.426 -18.232 1.00 0.00 C ATOM 0 H ALA A 27 8.877 5.889 -16.537 1.00 0.00 H new ATOM 0 HA ALA A 27 11.201 7.705 -16.372 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.546 8.372 -18.651 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.877 6.627 -18.538 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.197 7.212 -18.597 1.00 0.00 H new ATOM 417 N GLY A 28 9.930 9.842 -16.046 1.00 0.00 N ATOM 418 CA GLY A 28 9.193 11.009 -15.588 1.00 0.00 C ATOM 419 C GLY A 28 8.579 10.783 -14.218 1.00 0.00 C ATOM 420 O GLY A 28 7.488 11.277 -13.927 1.00 0.00 O ATOM 0 H GLY A 28 10.929 9.993 -16.185 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.861 11.869 -15.550 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.407 11.247 -16.304 1.00 0.00 H new ATOM 424 N GLN A 29 9.281 10.017 -13.381 1.00 0.00 N ATOM 425 CA GLN A 29 8.807 9.703 -12.042 1.00 0.00 C ATOM 426 C GLN A 29 9.880 10.005 -11.003 1.00 0.00 C ATOM 427 O GLN A 29 10.851 9.258 -10.866 1.00 0.00 O ATOM 428 CB GLN A 29 8.405 8.231 -11.958 1.00 0.00 C ATOM 429 CG GLN A 29 7.333 7.950 -10.917 1.00 0.00 C ATOM 430 CD GLN A 29 6.044 7.439 -11.530 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.957 7.922 -11.211 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.156 6.456 -12.417 1.00 0.00 N ATOM 0 H GLN A 29 10.184 9.603 -13.613 1.00 0.00 H new ATOM 0 HA GLN A 29 7.937 10.326 -11.834 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.046 7.905 -12.934 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.288 7.635 -11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.708 7.216 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.128 8.862 -10.357 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.076 6.084 -12.653 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.322 6.073 -12.862 1.00 0.00 H new ATOM 441 N ASP A 30 9.695 11.100 -10.271 1.00 0.00 N ATOM 442 CA ASP A 30 10.644 11.501 -9.235 1.00 0.00 C ATOM 443 C ASP A 30 10.251 10.931 -7.867 1.00 0.00 C ATOM 444 O ASP A 30 10.690 11.427 -6.828 1.00 0.00 O ATOM 445 CB ASP A 30 10.733 13.028 -9.166 1.00 0.00 C ATOM 446 CG ASP A 30 12.123 13.509 -8.802 1.00 0.00 C ATOM 447 OD1 ASP A 30 12.988 13.561 -9.701 1.00 0.00 O ATOM 448 OD2 ASP A 30 12.346 13.834 -7.617 1.00 0.00 O ATOM 0 H ASP A 30 8.897 11.726 -10.376 1.00 0.00 H new ATOM 0 HA ASP A 30 11.621 11.096 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.446 13.450 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.019 13.398 -8.430 1.00 0.00 H new ATOM 453 N LYS A 31 9.426 9.883 -7.877 1.00 0.00 N ATOM 454 CA LYS A 31 8.974 9.244 -6.646 1.00 0.00 C ATOM 455 C LYS A 31 8.977 7.722 -6.793 1.00 0.00 C ATOM 456 O LYS A 31 9.522 7.186 -7.762 1.00 0.00 O ATOM 457 CB LYS A 31 7.567 9.736 -6.280 1.00 0.00 C ATOM 458 CG LYS A 31 7.353 11.226 -6.515 1.00 0.00 C ATOM 459 CD LYS A 31 8.046 12.069 -5.453 1.00 0.00 C ATOM 460 CE LYS A 31 8.550 13.388 -6.023 1.00 0.00 C ATOM 461 NZ LYS A 31 7.767 14.553 -5.519 1.00 0.00 N ATOM 0 H LYS A 31 9.058 9.459 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 31 9.664 9.514 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.835 9.177 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.376 9.513 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.733 11.497 -7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.285 11.445 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.353 12.267 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.883 11.510 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.600 13.517 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.494 13.357 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.144 15.430 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.769 14.444 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.841 14.599 -4.483 1.00 0.00 H new ATOM 475 N LEU A 32 8.369 7.027 -5.827 1.00 0.00 N ATOM 476 CA LEU A 32 8.304 5.568 -5.855 1.00 0.00 C ATOM 477 C LEU A 32 6.949 5.072 -5.350 1.00 0.00 C ATOM 478 O LEU A 32 6.476 5.498 -4.294 1.00 0.00 O ATOM 479 CB LEU A 32 9.431 4.970 -5.005 1.00 0.00 C ATOM 480 CG LEU A 32 10.069 3.695 -5.565 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.553 3.915 -6.992 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.219 3.244 -4.674 1.00 0.00 C ATOM 0 H LEU A 32 7.916 7.453 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 32 8.426 5.243 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.210 5.723 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.038 4.754 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 32 9.313 2.910 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.002 2.997 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.709 4.192 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.294 4.714 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.663 2.337 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.974 4.029 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.844 3.043 -3.670 1.00 0.00 H new ATOM 494 N GLY A 33 6.330 4.170 -6.114 1.00 0.00 N ATOM 495 CA GLY A 33 5.034 3.629 -5.735 1.00 0.00 C ATOM 496 C GLY A 33 5.142 2.296 -5.015 1.00 0.00 C ATOM 497 O GLY A 33 5.906 1.422 -5.429 1.00 0.00 O ATOM 0 H GLY A 33 6.705 3.805 -6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.521 4.344 -5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.421 3.506 -6.628 1.00 0.00 H new ATOM 501 N ILE A 34 4.372 2.140 -3.938 1.00 0.00 N ATOM 502 CA ILE A 34 4.381 0.902 -3.160 1.00 0.00 C ATOM 503 C ILE A 34 3.329 -0.074 -3.686 1.00 0.00 C ATOM 504 O ILE A 34 2.213 -0.143 -3.169 1.00 0.00 O ATOM 505 CB ILE A 34 4.127 1.174 -1.660 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.006 2.328 -1.167 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.382 -0.079 -0.832 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.491 2.079 -1.332 1.00 0.00 C ATOM 0 H ILE A 34 3.735 2.854 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 34 5.371 0.459 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 34 3.081 1.457 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.737 3.235 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.793 2.511 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.197 0.136 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.715 -0.875 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.417 -0.396 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.048 2.940 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.776 1.191 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.719 1.927 -2.387 1.00 0.00 H new ATOM 520 N TYR A 35 3.694 -0.824 -4.724 1.00 0.00 N ATOM 521 CA TYR A 35 2.785 -1.796 -5.332 1.00 0.00 C ATOM 522 C TYR A 35 2.621 -3.033 -4.449 1.00 0.00 C ATOM 523 O TYR A 35 3.435 -3.281 -3.564 1.00 0.00 O ATOM 524 CB TYR A 35 3.303 -2.206 -6.712 1.00 0.00 C ATOM 525 CG TYR A 35 3.516 -1.038 -7.648 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.462 -0.518 -8.388 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.768 -0.451 -7.786 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.650 0.549 -9.244 1.00 0.00 C ATOM 529 CE2 TYR A 35 4.964 0.617 -8.641 1.00 0.00 C ATOM 530 CZ TYR A 35 3.902 1.115 -9.366 1.00 0.00 C ATOM 531 OH TYR A 35 4.093 2.177 -10.220 1.00 0.00 O ATOM 0 H TYR A 35 4.614 -0.778 -5.163 1.00 0.00 H new ATOM 0 HA TYR A 35 1.808 -1.323 -5.436 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.244 -2.742 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.595 -2.900 -7.165 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.479 -0.955 -8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.601 -0.835 -7.216 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.821 0.939 -9.815 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.944 1.059 -8.741 1.00 0.00 H new ATOM 0 HH TYR A 35 5.031 2.458 -10.188 1.00 0.00 H new ATOM 541 N VAL A 36 1.563 -3.806 -4.702 1.00 0.00 N ATOM 542 CA VAL A 36 1.293 -5.022 -3.930 1.00 0.00 C ATOM 543 C VAL A 36 1.809 -6.265 -4.655 1.00 0.00 C ATOM 544 O VAL A 36 1.599 -6.423 -5.859 1.00 0.00 O ATOM 545 CB VAL A 36 -0.217 -5.202 -3.649 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.457 -6.361 -2.689 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.828 -3.921 -3.099 1.00 0.00 C ATOM 0 H VAL A 36 0.880 -3.613 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 36 1.819 -4.907 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.705 -5.433 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.526 -6.467 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.070 -7.282 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.054 -6.164 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.890 -4.076 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.330 -3.651 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.702 -3.117 -3.824 1.00 0.00 H new ATOM 557 N LYS A 37 2.477 -7.144 -3.910 1.00 0.00 N ATOM 558 CA LYS A 37 3.022 -8.381 -4.469 1.00 0.00 C ATOM 559 C LYS A 37 2.188 -9.592 -4.047 1.00 0.00 C ATOM 560 O LYS A 37 1.988 -10.517 -4.835 1.00 0.00 O ATOM 561 CB LYS A 37 4.474 -8.571 -4.026 1.00 0.00 C ATOM 562 CG LYS A 37 5.371 -9.145 -5.112 1.00 0.00 C ATOM 563 CD LYS A 37 6.687 -9.648 -4.542 1.00 0.00 C ATOM 564 CE LYS A 37 6.688 -11.161 -4.377 1.00 0.00 C ATOM 565 NZ LYS A 37 8.052 -11.694 -4.097 1.00 0.00 N ATOM 0 H LYS A 37 2.655 -7.022 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 37 2.986 -8.301 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.876 -7.610 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.497 -9.232 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.856 -9.963 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.568 -8.381 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.505 -9.353 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.869 -9.177 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.017 -11.437 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.297 -11.624 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.974 -12.630 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.581 -11.779 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.554 -11.045 -3.457 1.00 0.00 H new ATOM 579 N SER A 38 1.707 -9.584 -2.800 1.00 0.00 N ATOM 580 CA SER A 38 0.897 -10.685 -2.280 1.00 0.00 C ATOM 581 C SER A 38 0.197 -10.283 -0.980 1.00 0.00 C ATOM 582 O SER A 38 0.463 -9.215 -0.427 1.00 0.00 O ATOM 583 CB SER A 38 1.768 -11.925 -2.047 1.00 0.00 C ATOM 584 OG SER A 38 0.972 -13.090 -1.920 1.00 0.00 O ATOM 0 H SER A 38 1.865 -8.828 -2.134 1.00 0.00 H new ATOM 0 HA SER A 38 0.134 -10.922 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.465 -12.045 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.366 -11.789 -1.146 1.00 0.00 H new ATOM 0 HG SER A 38 1.551 -13.867 -1.774 1.00 0.00 H new ATOM 590 N VAL A 39 -0.693 -11.150 -0.494 1.00 0.00 N ATOM 591 CA VAL A 39 -1.425 -10.891 0.743 1.00 0.00 C ATOM 592 C VAL A 39 -1.358 -12.098 1.674 1.00 0.00 C ATOM 593 O VAL A 39 -1.685 -13.217 1.277 1.00 0.00 O ATOM 594 CB VAL A 39 -2.906 -10.544 0.474 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.588 -10.069 1.751 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.022 -9.491 -0.621 1.00 0.00 C ATOM 0 H VAL A 39 -0.923 -12.038 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.948 -10.033 1.217 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.411 -11.448 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.630 -9.830 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.542 -10.857 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.080 -9.180 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.073 -9.261 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.499 -8.586 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.577 -9.872 -1.540 1.00 0.00 H new ATOM 606 N VAL A 40 -0.930 -11.863 2.912 1.00 0.00 N ATOM 607 CA VAL A 40 -0.816 -12.932 3.902 1.00 0.00 C ATOM 608 C VAL A 40 -2.186 -13.302 4.469 1.00 0.00 C ATOM 609 O VAL A 40 -3.057 -12.445 4.631 1.00 0.00 O ATOM 610 CB VAL A 40 0.127 -12.535 5.060 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.376 -13.715 5.987 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.445 -11.994 4.523 1.00 0.00 C ATOM 0 H VAL A 40 -0.656 -10.942 3.254 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.394 -13.796 3.389 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.361 -11.747 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.043 -13.410 6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.571 -14.054 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.835 -14.528 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.093 -11.721 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.933 -12.759 3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.254 -11.114 3.909 1.00 0.00 H new ATOM 622 N LYS A 41 -2.366 -14.588 4.764 1.00 0.00 N ATOM 623 CA LYS A 41 -3.627 -15.090 5.309 1.00 0.00 C ATOM 624 C LYS A 41 -3.865 -14.572 6.725 1.00 0.00 C ATOM 625 O LYS A 41 -2.918 -14.323 7.474 1.00 0.00 O ATOM 626 CB LYS A 41 -3.631 -16.620 5.319 1.00 0.00 C ATOM 627 CG LYS A 41 -3.464 -17.240 3.941 1.00 0.00 C ATOM 628 CD LYS A 41 -4.808 -17.573 3.307 1.00 0.00 C ATOM 629 CE LYS A 41 -4.744 -18.863 2.501 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.575 -20.063 3.370 1.00 0.00 N ATOM 0 H LYS A 41 -1.652 -15.304 4.634 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.430 -14.728 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.828 -16.972 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.567 -16.969 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.918 -16.552 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.864 -18.147 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.565 -17.667 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.118 -16.753 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.656 -18.968 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.915 -18.808 1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.870 -20.913 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.576 -20.154 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.161 -19.959 4.223 1.00 0.00 H new ATOM 644 N GLY A 42 -5.138 -14.421 7.085 1.00 0.00 N ATOM 645 CA GLY A 42 -5.490 -13.936 8.410 1.00 0.00 C ATOM 646 C GLY A 42 -5.112 -12.480 8.627 1.00 0.00 C ATOM 647 O GLY A 42 -5.000 -12.029 9.769 1.00 0.00 O ATOM 0 H GLY A 42 -5.934 -14.626 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.563 -14.054 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.993 -14.551 9.160 1.00 0.00 H new ATOM 651 N GLY A 43 -4.921 -11.742 7.532 1.00 0.00 N ATOM 652 CA GLY A 43 -4.563 -10.340 7.630 1.00 0.00 C ATOM 653 C GLY A 43 -5.777 -9.429 7.590 1.00 0.00 C ATOM 654 O GLY A 43 -6.833 -9.816 7.087 1.00 0.00 O ATOM 0 H GLY A 43 -5.009 -12.094 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.016 -10.171 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.891 -10.081 6.812 1.00 0.00 H new ATOM 658 N ALA A 44 -5.624 -8.216 8.121 1.00 0.00 N ATOM 659 CA ALA A 44 -6.715 -7.236 8.148 1.00 0.00 C ATOM 660 C ALA A 44 -7.303 -7.000 6.755 1.00 0.00 C ATOM 661 O ALA A 44 -8.509 -6.794 6.610 1.00 0.00 O ATOM 662 CB ALA A 44 -6.225 -5.922 8.739 1.00 0.00 C ATOM 0 H ALA A 44 -4.754 -7.886 8.540 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.508 -7.642 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.043 -5.202 8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.871 -6.090 9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.409 -5.531 8.131 1.00 0.00 H new ATOM 668 N ALA A 45 -6.446 -7.031 5.733 1.00 0.00 N ATOM 669 CA ALA A 45 -6.884 -6.823 4.355 1.00 0.00 C ATOM 670 C ALA A 45 -7.381 -8.123 3.724 1.00 0.00 C ATOM 671 O ALA A 45 -8.285 -8.107 2.887 1.00 0.00 O ATOM 672 CB ALA A 45 -5.752 -6.237 3.524 1.00 0.00 C ATOM 0 H ALA A 45 -5.445 -7.198 5.835 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.716 -6.119 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.093 -6.087 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.447 -5.281 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.905 -6.923 3.528 1.00 0.00 H new ATOM 678 N ASP A 46 -6.784 -9.247 4.124 1.00 0.00 N ATOM 679 CA ASP A 46 -7.170 -10.551 3.589 1.00 0.00 C ATOM 680 C ASP A 46 -8.522 -10.999 4.141 1.00 0.00 C ATOM 681 O ASP A 46 -9.374 -11.481 3.394 1.00 0.00 O ATOM 682 CB ASP A 46 -6.101 -11.598 3.912 1.00 0.00 C ATOM 683 CG ASP A 46 -6.131 -12.769 2.947 1.00 0.00 C ATOM 684 OD1 ASP A 46 -5.948 -12.543 1.731 1.00 0.00 O ATOM 685 OD2 ASP A 46 -6.337 -13.911 3.408 1.00 0.00 O ATOM 0 H ASP A 46 -6.034 -9.279 4.814 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.259 -10.453 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.117 -11.130 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.249 -11.964 4.928 1.00 0.00 H new ATOM 690 N VAL A 47 -8.712 -10.839 5.450 1.00 0.00 N ATOM 691 CA VAL A 47 -9.964 -11.231 6.099 1.00 0.00 C ATOM 692 C VAL A 47 -11.127 -10.360 5.624 1.00 0.00 C ATOM 693 O VAL A 47 -12.208 -10.869 5.321 1.00 0.00 O ATOM 694 CB VAL A 47 -9.862 -11.147 7.638 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.147 -11.643 8.293 1.00 0.00 C ATOM 696 CG2 VAL A 47 -8.664 -11.938 8.143 1.00 0.00 C ATOM 0 H VAL A 47 -8.017 -10.441 6.082 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.151 -12.267 5.818 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.721 -10.101 7.911 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.053 -11.575 9.377 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -11.985 -11.029 7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.323 -12.680 8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.612 -11.865 9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.771 -12.984 7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.751 -11.533 7.708 1.00 0.00 H new ATOM 706 N ASP A 48 -10.901 -9.048 5.558 1.00 0.00 N ATOM 707 CA ASP A 48 -11.934 -8.114 5.115 1.00 0.00 C ATOM 708 C ASP A 48 -12.150 -8.217 3.605 1.00 0.00 C ATOM 709 O ASP A 48 -13.281 -8.119 3.125 1.00 0.00 O ATOM 710 CB ASP A 48 -11.555 -6.679 5.493 1.00 0.00 C ATOM 711 CG ASP A 48 -12.714 -5.712 5.337 1.00 0.00 C ATOM 712 OD1 ASP A 48 -12.879 -5.154 4.231 1.00 0.00 O ATOM 713 OD2 ASP A 48 -13.456 -5.511 6.321 1.00 0.00 O ATOM 0 H ASP A 48 -10.014 -8.609 5.805 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.865 -8.378 5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.206 -6.659 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.724 -6.349 4.869 1.00 0.00 H new ATOM 718 N GLY A 49 -11.059 -8.416 2.863 1.00 0.00 N ATOM 719 CA GLY A 49 -11.148 -8.531 1.419 1.00 0.00 C ATOM 720 C GLY A 49 -11.320 -7.185 0.734 1.00 0.00 C ATOM 721 O GLY A 49 -12.440 -6.795 0.401 1.00 0.00 O ATOM 0 H GLY A 49 -10.115 -8.499 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.247 -9.014 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.988 -9.176 1.161 1.00 0.00 H new ATOM 725 N ARG A 50 -10.210 -6.477 0.520 1.00 0.00 N ATOM 726 CA ARG A 50 -10.249 -5.168 -0.134 1.00 0.00 C ATOM 727 C ARG A 50 -9.182 -5.058 -1.223 1.00 0.00 C ATOM 728 O ARG A 50 -9.504 -4.873 -2.397 1.00 0.00 O ATOM 729 CB ARG A 50 -10.063 -4.045 0.894 1.00 0.00 C ATOM 730 CG ARG A 50 -11.237 -3.887 1.848 1.00 0.00 C ATOM 731 CD ARG A 50 -12.479 -3.375 1.131 1.00 0.00 C ATOM 732 NE ARG A 50 -13.616 -4.285 1.280 1.00 0.00 N ATOM 733 CZ ARG A 50 -14.682 -4.291 0.476 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.779 -3.422 -0.528 1.00 0.00 N ATOM 735 NH2 ARG A 50 -15.661 -5.165 0.679 1.00 0.00 N ATOM 0 H ARG A 50 -9.276 -6.786 0.789 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.228 -5.064 -0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.160 -4.240 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.906 -3.104 0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.457 -4.846 2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.967 -3.196 2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.746 -2.394 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.257 -3.243 0.072 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.592 -4.957 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.035 -2.743 -0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.598 -3.435 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.598 -5.831 1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.476 -5.170 0.065 1.00 0.00 H new ATOM 749 N LEU A 51 -7.913 -5.166 -0.825 1.00 0.00 N ATOM 750 CA LEU A 51 -6.800 -5.070 -1.771 1.00 0.00 C ATOM 751 C LEU A 51 -6.298 -6.455 -2.182 1.00 0.00 C ATOM 752 O LEU A 51 -6.478 -7.434 -1.453 1.00 0.00 O ATOM 753 CB LEU A 51 -5.651 -4.256 -1.166 1.00 0.00 C ATOM 754 CG LEU A 51 -5.215 -4.680 0.240 1.00 0.00 C ATOM 755 CD1 LEU A 51 -3.709 -4.895 0.292 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.644 -3.641 1.266 1.00 0.00 C ATOM 0 H LEU A 51 -7.631 -5.320 0.143 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.167 -4.562 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.790 -4.324 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.948 -3.208 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.703 -5.624 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.419 -5.196 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.428 -5.676 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.200 -3.968 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.326 -3.958 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.184 -2.682 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.729 -3.538 1.248 1.00 0.00 H new ATOM 768 N ALA A 52 -5.667 -6.526 -3.356 1.00 0.00 N ATOM 769 CA ALA A 52 -5.135 -7.786 -3.876 1.00 0.00 C ATOM 770 C ALA A 52 -3.726 -7.608 -4.441 1.00 0.00 C ATOM 771 O ALA A 52 -3.221 -6.487 -4.536 1.00 0.00 O ATOM 772 CB ALA A 52 -6.062 -8.345 -4.946 1.00 0.00 C ATOM 0 H ALA A 52 -5.512 -5.723 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.076 -8.491 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.656 -9.283 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.048 -8.524 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.147 -7.629 -5.764 1.00 0.00 H new ATOM 778 N ALA A 53 -3.099 -8.724 -4.817 1.00 0.00 N ATOM 779 CA ALA A 53 -1.749 -8.698 -5.376 1.00 0.00 C ATOM 780 C ALA A 53 -1.738 -8.070 -6.769 1.00 0.00 C ATOM 781 O ALA A 53 -2.642 -8.303 -7.574 1.00 0.00 O ATOM 782 CB ALA A 53 -1.170 -10.105 -5.425 1.00 0.00 C ATOM 0 H ALA A 53 -3.506 -9.657 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.128 -8.083 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.164 -10.070 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.129 -10.517 -4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.801 -10.737 -6.050 1.00 0.00 H new ATOM 788 N GLY A 54 -0.708 -7.272 -7.046 1.00 0.00 N ATOM 789 CA GLY A 54 -0.596 -6.617 -8.339 1.00 0.00 C ATOM 790 C GLY A 54 -1.344 -5.297 -8.388 1.00 0.00 C ATOM 791 O GLY A 54 -1.962 -4.966 -9.400 1.00 0.00 O ATOM 0 H GLY A 54 0.052 -7.068 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.456 -6.443 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.983 -7.279 -9.113 1.00 0.00 H new ATOM 795 N ASP A 55 -1.286 -4.542 -7.290 1.00 0.00 N ATOM 796 CA ASP A 55 -1.961 -3.251 -7.207 1.00 0.00 C ATOM 797 C ASP A 55 -0.963 -2.130 -6.914 1.00 0.00 C ATOM 798 O ASP A 55 0.234 -2.382 -6.762 1.00 0.00 O ATOM 799 CB ASP A 55 -3.048 -3.294 -6.125 1.00 0.00 C ATOM 800 CG ASP A 55 -4.416 -3.669 -6.671 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.496 -4.144 -7.825 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.413 -3.486 -5.939 1.00 0.00 O ATOM 0 H ASP A 55 -0.777 -4.805 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.428 -3.045 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.760 -4.012 -5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.111 -2.319 -5.642 1.00 0.00 H new ATOM 807 N GLN A 56 -1.458 -0.891 -6.843 1.00 0.00 N ATOM 808 CA GLN A 56 -0.600 0.265 -6.576 1.00 0.00 C ATOM 809 C GLN A 56 -1.099 1.065 -5.368 1.00 0.00 C ATOM 810 O GLN A 56 -2.303 1.258 -5.197 1.00 0.00 O ATOM 811 CB GLN A 56 -0.538 1.168 -7.812 1.00 0.00 C ATOM 812 CG GLN A 56 0.420 2.342 -7.670 1.00 0.00 C ATOM 813 CD GLN A 56 -0.288 3.669 -7.455 1.00 0.00 C ATOM 814 OE1 GLN A 56 -1.506 3.775 -7.612 1.00 0.00 O ATOM 815 NE2 GLN A 56 0.477 4.691 -7.094 1.00 0.00 N ATOM 0 H GLN A 56 -2.445 -0.664 -6.966 1.00 0.00 H new ATOM 0 HA GLN A 56 0.399 -0.104 -6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.239 0.570 -8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.537 1.550 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.091 2.156 -6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.039 2.408 -8.565 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.481 4.559 -6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.061 5.609 -6.935 1.00 0.00 H new ATOM 824 N LEU A 57 -0.159 1.533 -4.539 1.00 0.00 N ATOM 825 CA LEU A 57 -0.494 2.316 -3.348 1.00 0.00 C ATOM 826 C LEU A 57 -0.141 3.792 -3.543 1.00 0.00 C ATOM 827 O LEU A 57 0.820 4.123 -4.241 1.00 0.00 O ATOM 828 CB LEU A 57 0.242 1.761 -2.124 1.00 0.00 C ATOM 829 CG LEU A 57 -0.406 2.081 -0.775 1.00 0.00 C ATOM 830 CD1 LEU A 57 -1.611 1.185 -0.532 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.607 1.933 0.351 1.00 0.00 C ATOM 0 H LEU A 57 0.841 1.382 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.569 2.239 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.318 0.678 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.259 2.153 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.749 3.115 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.057 1.429 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.346 1.341 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.295 0.142 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.129 2.164 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.981 0.909 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.438 2.619 0.186 1.00 0.00 H new ATOM 843 N LEU A 58 -0.926 4.675 -2.919 1.00 0.00 N ATOM 844 CA LEU A 58 -0.702 6.118 -3.023 1.00 0.00 C ATOM 845 C LEU A 58 -0.600 6.768 -1.641 1.00 0.00 C ATOM 846 O LEU A 58 0.412 7.392 -1.315 1.00 0.00 O ATOM 847 CB LEU A 58 -1.838 6.776 -3.814 1.00 0.00 C ATOM 848 CG LEU A 58 -1.414 7.502 -5.095 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.595 7.635 -6.046 1.00 0.00 C ATOM 850 CD2 LEU A 58 -0.837 8.874 -4.769 1.00 0.00 C ATOM 0 H LEU A 58 -1.722 4.415 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 58 0.243 6.268 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.567 6.009 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.345 7.489 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.639 6.911 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.277 8.153 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.966 6.644 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.389 8.204 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.542 9.373 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.590 9.473 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.034 8.758 -4.124 1.00 0.00 H new ATOM 862 N SER A 59 -1.661 6.634 -0.840 1.00 0.00 N ATOM 863 CA SER A 59 -1.691 7.225 0.496 1.00 0.00 C ATOM 864 C SER A 59 -2.008 6.185 1.568 1.00 0.00 C ATOM 865 O SER A 59 -2.804 5.267 1.347 1.00 0.00 O ATOM 866 CB SER A 59 -2.723 8.356 0.551 1.00 0.00 C ATOM 867 OG SER A 59 -2.164 9.527 1.120 1.00 0.00 O ATOM 0 H SER A 59 -2.506 6.123 -1.094 1.00 0.00 H new ATOM 0 HA SER A 59 -0.698 7.626 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.084 8.573 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.585 8.038 1.138 1.00 0.00 H new ATOM 0 HG SER A 59 -1.384 9.287 1.662 1.00 0.00 H new ATOM 873 N VAL A 60 -1.381 6.346 2.732 1.00 0.00 N ATOM 874 CA VAL A 60 -1.589 5.440 3.855 1.00 0.00 C ATOM 875 C VAL A 60 -1.800 6.225 5.143 1.00 0.00 C ATOM 876 O VAL A 60 -0.960 7.044 5.524 1.00 0.00 O ATOM 877 CB VAL A 60 -0.397 4.482 4.051 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.699 3.475 5.153 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.057 3.774 2.748 1.00 0.00 C ATOM 0 H VAL A 60 -0.721 7.101 2.920 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.477 4.851 3.624 1.00 0.00 H new ATOM 0 HB VAL A 60 0.471 5.068 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.153 2.806 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.886 4.004 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.580 2.893 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.787 3.103 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.919 3.199 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.206 4.512 1.990 1.00 0.00 H new ATOM 889 N ASP A 61 -2.926 5.972 5.806 1.00 0.00 N ATOM 890 CA ASP A 61 -3.256 6.657 7.054 1.00 0.00 C ATOM 891 C ASP A 61 -3.320 8.173 6.842 1.00 0.00 C ATOM 892 O ASP A 61 -2.981 8.951 7.736 1.00 0.00 O ATOM 893 CB ASP A 61 -2.225 6.311 8.135 1.00 0.00 C ATOM 894 CG ASP A 61 -2.861 6.042 9.485 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.918 5.379 9.522 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.298 6.488 10.507 1.00 0.00 O ATOM 0 H ASP A 61 -3.626 5.297 5.500 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.238 6.319 7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.658 5.433 7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.514 7.132 8.230 1.00 0.00 H new ATOM 901 N GLY A 62 -3.755 8.584 5.650 1.00 0.00 N ATOM 902 CA GLY A 62 -3.855 9.999 5.335 1.00 0.00 C ATOM 903 C GLY A 62 -2.500 10.670 5.169 1.00 0.00 C ATOM 904 O GLY A 62 -2.387 11.888 5.319 1.00 0.00 O ATOM 0 H GLY A 62 -4.040 7.959 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.429 10.121 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.409 10.503 6.127 1.00 0.00 H new ATOM 908 N ARG A 63 -1.469 9.884 4.850 1.00 0.00 N ATOM 909 CA ARG A 63 -0.127 10.425 4.658 1.00 0.00 C ATOM 910 C ARG A 63 0.292 10.291 3.201 1.00 0.00 C ATOM 911 O ARG A 63 0.110 9.235 2.591 1.00 0.00 O ATOM 912 CB ARG A 63 0.890 9.705 5.550 1.00 0.00 C ATOM 913 CG ARG A 63 0.485 9.626 7.013 1.00 0.00 C ATOM 914 CD ARG A 63 1.525 8.885 7.844 1.00 0.00 C ATOM 915 NE ARG A 63 1.299 7.439 7.842 1.00 0.00 N ATOM 916 CZ ARG A 63 1.830 6.595 6.953 1.00 0.00 C ATOM 917 NH1 ARG A 63 2.634 7.039 5.989 1.00 0.00 N ATOM 918 NH2 ARG A 63 1.557 5.298 7.031 1.00 0.00 N ATOM 0 H ARG A 63 -1.540 8.875 4.720 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.149 11.479 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.039 8.694 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.849 10.218 5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.352 10.633 7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.477 9.120 7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.520 9.097 7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.500 9.254 8.869 1.00 0.00 H new ATOM 0 HE ARG A 63 0.696 7.050 8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.851 8.034 5.923 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.033 6.385 5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.944 4.949 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.960 4.650 6.354 1.00 0.00 H new ATOM 932 N SER A 64 0.858 11.362 2.652 1.00 0.00 N ATOM 933 CA SER A 64 1.310 11.362 1.266 1.00 0.00 C ATOM 934 C SER A 64 2.697 10.736 1.162 1.00 0.00 C ATOM 935 O SER A 64 3.711 11.437 1.199 1.00 0.00 O ATOM 936 CB SER A 64 1.331 12.788 0.707 1.00 0.00 C ATOM 937 OG SER A 64 0.103 13.106 0.073 1.00 0.00 O ATOM 0 H SER A 64 1.014 12.240 3.146 1.00 0.00 H new ATOM 0 HA SER A 64 0.611 10.769 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.521 13.496 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.149 12.890 -0.006 1.00 0.00 H new ATOM 0 HG SER A 64 0.141 14.022 -0.274 1.00 0.00 H new ATOM 943 N LEU A 65 2.737 9.412 1.034 1.00 0.00 N ATOM 944 CA LEU A 65 4.005 8.694 0.926 1.00 0.00 C ATOM 945 C LEU A 65 4.440 8.574 -0.534 1.00 0.00 C ATOM 946 O LEU A 65 4.696 7.476 -1.035 1.00 0.00 O ATOM 947 CB LEU A 65 3.897 7.306 1.571 1.00 0.00 C ATOM 948 CG LEU A 65 2.809 6.398 0.992 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.348 4.992 0.774 1.00 0.00 C ATOM 950 CD2 LEU A 65 1.596 6.374 1.908 1.00 0.00 C ATOM 0 H LEU A 65 1.910 8.816 1.003 1.00 0.00 H new ATOM 0 HA LEU A 65 4.764 9.265 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.858 6.802 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.712 7.433 2.638 1.00 0.00 H new ATOM 0 HG LEU A 65 2.501 6.798 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.561 4.360 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.186 5.028 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.684 4.579 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.831 5.724 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.888 5.997 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.198 7.383 2.011 1.00 0.00 H new ATOM 962 N VAL A 66 4.524 9.718 -1.212 1.00 0.00 N ATOM 963 CA VAL A 66 4.930 9.754 -2.608 1.00 0.00 C ATOM 964 C VAL A 66 6.382 10.203 -2.734 1.00 0.00 C ATOM 965 O VAL A 66 6.692 11.396 -2.671 1.00 0.00 O ATOM 966 CB VAL A 66 4.010 10.678 -3.429 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.538 10.857 -4.844 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.598 10.116 -3.445 1.00 0.00 C ATOM 0 H VAL A 66 4.315 10.632 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 66 4.842 8.744 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 66 3.992 11.661 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.870 11.513 -5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.534 11.299 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.589 9.887 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.951 10.773 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.607 9.123 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.222 10.048 -2.424 1.00 0.00 H new ATOM 978 N GLY A 67 7.263 9.225 -2.901 1.00 0.00 N ATOM 979 CA GLY A 67 8.686 9.502 -3.027 1.00 0.00 C ATOM 980 C GLY A 67 9.489 8.984 -1.846 1.00 0.00 C ATOM 981 O GLY A 67 10.494 9.584 -1.461 1.00 0.00 O ATOM 0 H GLY A 67 7.017 8.236 -2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.061 9.047 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.836 10.578 -3.120 1.00 0.00 H new ATOM 985 N LEU A 68 9.046 7.866 -1.269 1.00 0.00 N ATOM 986 CA LEU A 68 9.726 7.264 -0.127 1.00 0.00 C ATOM 987 C LEU A 68 10.238 5.870 -0.473 1.00 0.00 C ATOM 988 O LEU A 68 9.783 5.252 -1.438 1.00 0.00 O ATOM 989 CB LEU A 68 8.776 7.186 1.072 1.00 0.00 C ATOM 990 CG LEU A 68 8.642 8.476 1.881 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.591 8.312 2.968 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.983 8.872 2.486 1.00 0.00 C ATOM 0 H LEU A 68 8.216 7.359 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 68 10.579 7.892 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.788 6.896 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.120 6.393 1.737 1.00 0.00 H new ATOM 0 HG LEU A 68 8.323 9.273 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.507 9.239 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.629 8.077 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.883 7.502 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.867 9.793 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.334 8.078 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.709 9.030 1.689 1.00 0.00 H new ATOM 1004 N SER A 69 11.180 5.376 0.328 1.00 0.00 N ATOM 1005 CA SER A 69 11.748 4.048 0.116 1.00 0.00 C ATOM 1006 C SER A 69 10.854 2.985 0.741 1.00 0.00 C ATOM 1007 O SER A 69 10.134 3.262 1.702 1.00 0.00 O ATOM 1008 CB SER A 69 13.155 3.962 0.718 1.00 0.00 C ATOM 1009 OG SER A 69 13.759 5.243 0.804 1.00 0.00 O ATOM 0 H SER A 69 11.565 5.876 1.129 1.00 0.00 H new ATOM 0 HA SER A 69 11.814 3.872 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.101 3.516 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.775 3.306 0.107 1.00 0.00 H new ATOM 0 HG SER A 69 14.654 5.157 1.193 1.00 0.00 H new ATOM 1015 N GLN A 70 10.900 1.771 0.193 1.00 0.00 N ATOM 1016 CA GLN A 70 10.088 0.667 0.704 1.00 0.00 C ATOM 1017 C GLN A 70 10.173 0.563 2.225 1.00 0.00 C ATOM 1018 O GLN A 70 9.163 0.342 2.892 1.00 0.00 O ATOM 1019 CB GLN A 70 10.522 -0.658 0.080 1.00 0.00 C ATOM 1020 CG GLN A 70 9.396 -1.668 -0.013 1.00 0.00 C ATOM 1021 CD GLN A 70 8.866 -1.806 -1.423 1.00 0.00 C ATOM 1022 OE1 GLN A 70 9.349 -2.626 -2.200 1.00 0.00 O ATOM 1023 NE2 GLN A 70 7.869 -0.994 -1.761 1.00 0.00 N ATOM 0 H GLN A 70 11.490 1.527 -0.603 1.00 0.00 H new ATOM 0 HA GLN A 70 9.054 0.876 0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.917 -0.470 -0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.335 -1.082 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.751 -2.638 0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.585 -1.367 0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.500 -0.329 -1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.473 -1.036 -2.700 1.00 0.00 H new ATOM 1032 N GLU A 71 11.380 0.722 2.767 1.00 0.00 N ATOM 1033 CA GLU A 71 11.587 0.646 4.211 1.00 0.00 C ATOM 1034 C GLU A 71 10.738 1.684 4.942 1.00 0.00 C ATOM 1035 O GLU A 71 10.028 1.353 5.891 1.00 0.00 O ATOM 1036 CB GLU A 71 13.064 0.851 4.550 1.00 0.00 C ATOM 1037 CG GLU A 71 13.953 -0.314 4.146 1.00 0.00 C ATOM 1038 CD GLU A 71 14.420 -1.129 5.336 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.454 -0.766 5.936 1.00 0.00 O ATOM 1040 OE2 GLU A 71 13.750 -2.129 5.668 1.00 0.00 O ATOM 0 H GLU A 71 12.227 0.904 2.229 1.00 0.00 H new ATOM 0 HA GLU A 71 11.280 -0.346 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.419 1.755 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.162 1.015 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.408 -0.961 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.821 0.066 3.607 1.00 0.00 H new ATOM 1047 N ARG A 72 10.807 2.936 4.492 1.00 0.00 N ATOM 1048 CA ARG A 72 10.032 4.011 5.107 1.00 0.00 C ATOM 1049 C ARG A 72 8.540 3.844 4.817 1.00 0.00 C ATOM 1050 O ARG A 72 7.699 4.144 5.666 1.00 0.00 O ATOM 1051 CB ARG A 72 10.513 5.375 4.602 1.00 0.00 C ATOM 1052 CG ARG A 72 11.939 5.710 5.008 1.00 0.00 C ATOM 1053 CD ARG A 72 12.020 6.115 6.472 1.00 0.00 C ATOM 1054 NE ARG A 72 12.324 7.538 6.637 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.733 8.089 7.784 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.877 7.345 8.877 1.00 0.00 N ATOM 1057 NH2 ARG A 72 12.993 9.390 7.839 1.00 0.00 N ATOM 0 H ARG A 72 11.389 3.230 3.707 1.00 0.00 H new ATOM 0 HA ARG A 72 10.183 3.959 6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.440 5.396 3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.846 6.149 4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.581 4.847 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.316 6.520 4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.073 5.888 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.787 5.521 6.969 1.00 0.00 H new ATOM 0 HE ARG A 72 12.217 8.147 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.675 6.346 8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.190 7.774 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.881 9.968 7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.305 9.811 8.714 1.00 0.00 H new ATOM 1071 N ALA A 73 8.217 3.367 3.614 1.00 0.00 N ATOM 1072 CA ALA A 73 6.828 3.165 3.216 1.00 0.00 C ATOM 1073 C ALA A 73 6.169 2.043 4.019 1.00 0.00 C ATOM 1074 O ALA A 73 5.159 2.268 4.690 1.00 0.00 O ATOM 1075 CB ALA A 73 6.736 2.876 1.723 1.00 0.00 C ATOM 0 H ALA A 73 8.900 3.114 2.900 1.00 0.00 H new ATOM 0 HA ALA A 73 6.287 4.087 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.693 2.728 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.145 3.717 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.305 1.975 1.491 1.00 0.00 H new ATOM 1081 N ALA A 74 6.744 0.837 3.953 1.00 0.00 N ATOM 1082 CA ALA A 74 6.198 -0.309 4.682 1.00 0.00 C ATOM 1083 C ALA A 74 6.197 -0.058 6.189 1.00 0.00 C ATOM 1084 O ALA A 74 5.199 -0.310 6.866 1.00 0.00 O ATOM 1085 CB ALA A 74 6.978 -1.576 4.354 1.00 0.00 C ATOM 0 H ALA A 74 7.580 0.632 3.406 1.00 0.00 H new ATOM 0 HA ALA A 74 5.165 -0.444 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.556 -2.416 4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.914 -1.776 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.022 -1.444 4.637 1.00 0.00 H new ATOM 1091 N GLU A 75 7.318 0.447 6.706 1.00 0.00 N ATOM 1092 CA GLU A 75 7.440 0.738 8.132 1.00 0.00 C ATOM 1093 C GLU A 75 6.324 1.674 8.596 1.00 0.00 C ATOM 1094 O GLU A 75 5.645 1.395 9.580 1.00 0.00 O ATOM 1095 CB GLU A 75 8.807 1.361 8.434 1.00 0.00 C ATOM 1096 CG GLU A 75 9.053 1.616 9.912 1.00 0.00 C ATOM 1097 CD GLU A 75 9.706 0.438 10.608 1.00 0.00 C ATOM 1098 OE1 GLU A 75 8.977 -0.497 11.002 1.00 0.00 O ATOM 1099 OE2 GLU A 75 10.946 0.450 10.759 1.00 0.00 O ATOM 0 H GLU A 75 8.152 0.662 6.159 1.00 0.00 H new ATOM 0 HA GLU A 75 7.350 -0.201 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.588 0.702 8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.894 2.303 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.687 2.496 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.105 1.841 10.400 1.00 0.00 H new ATOM 1106 N LEU A 76 6.136 2.781 7.877 1.00 0.00 N ATOM 1107 CA LEU A 76 5.094 3.749 8.222 1.00 0.00 C ATOM 1108 C LEU A 76 3.699 3.122 8.138 1.00 0.00 C ATOM 1109 O LEU A 76 2.845 3.384 8.986 1.00 0.00 O ATOM 1110 CB LEU A 76 5.165 4.965 7.292 1.00 0.00 C ATOM 1111 CG LEU A 76 6.010 6.142 7.794 1.00 0.00 C ATOM 1112 CD1 LEU A 76 6.112 7.218 6.720 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.417 6.719 9.072 1.00 0.00 C ATOM 0 H LEU A 76 6.688 3.029 7.056 1.00 0.00 H new ATOM 0 HA LEU A 76 5.269 4.067 9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.563 4.640 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.151 5.321 7.113 1.00 0.00 H new ATOM 0 HG LEU A 76 7.013 5.777 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.715 8.047 7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.580 6.800 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.114 7.579 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.030 7.553 9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.403 7.069 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.392 5.948 9.842 1.00 0.00 H new ATOM 1125 N MET A 77 3.473 2.301 7.111 1.00 0.00 N ATOM 1126 CA MET A 77 2.177 1.643 6.918 1.00 0.00 C ATOM 1127 C MET A 77 1.806 0.786 8.128 1.00 0.00 C ATOM 1128 O MET A 77 0.701 0.902 8.657 1.00 0.00 O ATOM 1129 CB MET A 77 2.190 0.786 5.652 1.00 0.00 C ATOM 1130 CG MET A 77 2.159 1.591 4.363 1.00 0.00 C ATOM 1131 SD MET A 77 3.002 0.754 3.005 1.00 0.00 S ATOM 1132 CE MET A 77 1.987 -0.712 2.830 1.00 0.00 C ATOM 0 H MET A 77 4.169 2.075 6.400 1.00 0.00 H new ATOM 0 HA MET A 77 1.424 2.423 6.808 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.083 0.161 5.657 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.331 0.115 5.670 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.123 1.780 4.082 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.626 2.561 4.533 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.627 -1.586 2.711 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.368 -0.834 3.719 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.347 -0.609 1.954 1.00 0.00 H new ATOM 1142 N THR A 78 2.735 -0.058 8.577 1.00 0.00 N ATOM 1143 CA THR A 78 2.487 -0.901 9.745 1.00 0.00 C ATOM 1144 C THR A 78 2.437 -0.041 11.009 1.00 0.00 C ATOM 1145 O THR A 78 1.769 -0.388 11.984 1.00 0.00 O ATOM 1146 CB THR A 78 3.565 -1.983 9.882 1.00 0.00 C ATOM 1147 OG1 THR A 78 3.281 -2.840 10.975 1.00 0.00 O ATOM 1148 CG2 THR A 78 4.965 -1.435 10.083 1.00 0.00 C ATOM 0 H THR A 78 3.656 -0.175 8.155 1.00 0.00 H new ATOM 0 HA THR A 78 1.526 -1.397 9.612 1.00 0.00 H new ATOM 0 HB THR A 78 3.542 -2.521 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.979 -3.524 11.044 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.670 -2.262 10.171 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.239 -0.814 9.230 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.994 -0.835 10.993 1.00 0.00 H new ATOM 1156 N ARG A 79 3.151 1.088 10.975 1.00 0.00 N ATOM 1157 CA ARG A 79 3.205 2.014 12.107 1.00 0.00 C ATOM 1158 C ARG A 79 1.998 2.964 12.125 1.00 0.00 C ATOM 1159 O ARG A 79 2.152 4.166 12.357 1.00 0.00 O ATOM 1160 CB ARG A 79 4.501 2.833 12.054 1.00 0.00 C ATOM 1161 CG ARG A 79 5.758 2.026 12.338 1.00 0.00 C ATOM 1162 CD ARG A 79 5.914 1.752 13.822 1.00 0.00 C ATOM 1163 NE ARG A 79 6.587 2.847 14.523 1.00 0.00 N ATOM 1164 CZ ARG A 79 6.470 3.078 15.834 1.00 0.00 C ATOM 1165 NH1 ARG A 79 5.719 2.288 16.596 1.00 0.00 N ATOM 1166 NH2 ARG A 79 7.112 4.103 16.386 1.00 0.00 N ATOM 0 H ARG A 79 3.703 1.383 10.169 1.00 0.00 H new ATOM 0 HA ARG A 79 3.180 1.419 13.020 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.590 3.289 11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.434 3.647 12.776 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.717 1.082 11.794 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.631 2.567 11.972 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.931 1.591 14.264 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.481 0.832 13.961 1.00 0.00 H new ATOM 0 HE ARG A 79 7.181 3.471 13.978 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.226 1.497 16.181 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.636 2.473 17.596 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.693 4.712 15.809 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.024 4.281 17.386 1.00 0.00 H new ATOM 1180 N THR A 80 0.801 2.428 11.885 1.00 0.00 N ATOM 1181 CA THR A 80 -0.416 3.241 11.880 1.00 0.00 C ATOM 1182 C THR A 80 -1.197 3.080 13.187 1.00 0.00 C ATOM 1183 O THR A 80 -0.878 2.221 14.013 1.00 0.00 O ATOM 1184 CB THR A 80 -1.305 2.860 10.693 1.00 0.00 C ATOM 1185 OG1 THR A 80 -1.304 1.456 10.492 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.879 3.516 9.399 1.00 0.00 C ATOM 0 H THR A 80 0.648 1.438 11.692 1.00 0.00 H new ATOM 0 HA THR A 80 -0.118 4.285 11.786 1.00 0.00 H new ATOM 0 HB THR A 80 -2.303 3.215 10.950 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.607 1.219 9.846 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.548 3.206 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.922 4.600 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.141 3.216 9.157 1.00 0.00 H new ATOM 1194 N SER A 81 -2.226 3.910 13.366 1.00 0.00 N ATOM 1195 CA SER A 81 -3.057 3.860 14.568 1.00 0.00 C ATOM 1196 C SER A 81 -4.166 2.814 14.414 1.00 0.00 C ATOM 1197 O SER A 81 -4.125 1.988 13.500 1.00 0.00 O ATOM 1198 CB SER A 81 -3.661 5.243 14.851 1.00 0.00 C ATOM 1199 OG SER A 81 -2.668 6.254 14.815 1.00 0.00 O ATOM 0 H SER A 81 -2.503 4.625 12.693 1.00 0.00 H new ATOM 0 HA SER A 81 -2.430 3.572 15.412 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.434 5.463 14.115 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.144 5.239 15.828 1.00 0.00 H new ATOM 0 HG SER A 81 -3.080 7.124 14.997 1.00 0.00 H new ATOM 1205 N SER A 82 -5.157 2.852 15.310 1.00 0.00 N ATOM 1206 CA SER A 82 -6.273 1.904 15.261 1.00 0.00 C ATOM 1207 C SER A 82 -6.957 1.935 13.892 1.00 0.00 C ATOM 1208 O SER A 82 -7.275 0.888 13.327 1.00 0.00 O ATOM 1209 CB SER A 82 -7.295 2.216 16.361 1.00 0.00 C ATOM 1210 OG SER A 82 -7.860 1.027 16.888 1.00 0.00 O ATOM 0 H SER A 82 -5.209 3.526 16.074 1.00 0.00 H new ATOM 0 HA SER A 82 -5.870 0.905 15.426 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.812 2.778 17.161 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.085 2.850 15.958 1.00 0.00 H new ATOM 0 HG SER A 82 -8.507 1.255 17.588 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.170 3.140 13.363 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.805 3.308 12.058 1.00 0.00 C ATOM 1218 C VAL A 83 -6.752 3.399 10.954 1.00 0.00 C ATOM 1219 O VAL A 83 -5.708 4.025 11.136 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.694 4.571 12.018 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.460 4.655 10.704 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.652 4.589 13.200 1.00 0.00 C ATOM 0 H VAL A 83 -6.911 4.015 13.820 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.434 2.434 11.892 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.046 5.444 12.088 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.079 5.553 10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.755 4.697 9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.095 3.776 10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.270 5.486 13.154 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.291 3.707 13.164 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.083 4.587 14.130 1.00 0.00 H new ATOM 1232 N VAL A 84 -7.033 2.767 9.814 1.00 0.00 N ATOM 1233 CA VAL A 84 -6.109 2.774 8.682 1.00 0.00 C ATOM 1234 C VAL A 84 -6.822 3.158 7.387 1.00 0.00 C ATOM 1235 O VAL A 84 -7.907 2.651 7.093 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.435 1.399 8.482 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.371 1.481 7.397 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.833 0.889 9.785 1.00 0.00 C ATOM 0 H VAL A 84 -7.893 2.244 9.651 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.345 3.516 8.916 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.200 0.690 8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.906 0.504 7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.831 1.790 6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.612 2.209 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.365 -0.081 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.084 1.596 10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.619 0.786 10.533 1.00 0.00 H new ATOM 1248 N THR A 85 -6.200 4.050 6.616 1.00 0.00 N ATOM 1249 CA THR A 85 -6.767 4.496 5.345 1.00 0.00 C ATOM 1250 C THR A 85 -5.799 4.228 4.194 1.00 0.00 C ATOM 1251 O THR A 85 -4.965 5.072 3.857 1.00 0.00 O ATOM 1252 CB THR A 85 -7.124 5.987 5.403 1.00 0.00 C ATOM 1253 OG1 THR A 85 -6.327 6.666 6.362 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.577 6.235 5.750 1.00 0.00 C ATOM 0 H THR A 85 -5.304 4.477 6.850 1.00 0.00 H new ATOM 0 HA THR A 85 -7.680 3.928 5.167 1.00 0.00 H new ATOM 0 HB THR A 85 -6.933 6.369 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.572 7.615 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.767 7.308 5.776 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.215 5.771 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.796 5.804 6.727 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.916 3.042 3.597 1.00 0.00 N ATOM 1263 CA LEU A 86 -5.056 2.651 2.481 1.00 0.00 C ATOM 1264 C LEU A 86 -5.725 2.959 1.144 1.00 0.00 C ATOM 1265 O LEU A 86 -6.804 2.441 0.846 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.725 1.157 2.557 1.00 0.00 C ATOM 1267 CG LEU A 86 -4.012 0.703 3.833 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -4.212 -0.790 4.046 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.529 1.042 3.767 1.00 0.00 C ATOM 0 H LEU A 86 -6.599 2.335 3.868 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.133 3.227 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.652 0.592 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.102 0.897 1.701 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.445 1.234 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.700 -1.099 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.277 -1.005 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.803 -1.337 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.039 0.712 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.078 0.538 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.407 2.120 3.659 1.00 0.00 H new ATOM 1281 N GLU A 87 -5.073 3.796 0.342 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.594 4.171 -0.969 1.00 0.00 C ATOM 1283 C GLU A 87 -4.925 3.341 -2.063 1.00 0.00 C ATOM 1284 O GLU A 87 -3.783 3.604 -2.447 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.372 5.666 -1.212 1.00 0.00 C ATOM 1286 CG GLU A 87 -5.904 6.166 -2.545 1.00 0.00 C ATOM 1287 CD GLU A 87 -5.695 7.659 -2.729 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -4.537 8.116 -2.618 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -6.689 8.370 -2.983 1.00 0.00 O ATOM 0 H GLU A 87 -4.180 4.229 0.578 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.665 3.970 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.849 6.228 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.304 5.877 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.409 5.630 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.968 5.939 -2.617 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.644 2.332 -2.549 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.127 1.447 -3.589 1.00 0.00 C ATOM 1298 C VAL A 88 -5.767 1.749 -4.947 1.00 0.00 C ATOM 1299 O VAL A 88 -6.912 2.199 -5.017 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.361 -0.037 -3.222 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -6.848 -0.363 -3.186 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -4.631 -0.957 -4.190 1.00 0.00 C ATOM 0 H VAL A 88 -6.589 2.107 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.055 1.628 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.955 -0.203 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.984 -1.413 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.340 0.263 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.286 -0.173 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.811 -1.995 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.997 -0.785 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.561 -0.751 -4.151 1.00 0.00 H new ATOM 1312 N ALA A 89 -5.016 1.500 -6.020 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.503 1.748 -7.374 1.00 0.00 C ATOM 1314 C ALA A 89 -5.841 0.445 -8.097 1.00 0.00 C ATOM 1315 O ALA A 89 -5.208 -0.588 -7.867 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.470 2.535 -8.168 1.00 0.00 C ATOM 0 H ALA A 89 -4.068 1.127 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.419 2.334 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.845 2.714 -9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.283 3.489 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.542 1.966 -8.222 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.842 0.509 -8.978 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.273 -0.655 -9.748 1.00 0.00 C ATOM 1324 C LYS A 90 -6.712 -0.598 -11.167 1.00 0.00 C ATOM 1325 O LYS A 90 -7.038 0.309 -11.936 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.804 -0.728 -9.793 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.364 -2.106 -9.475 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.051 -2.518 -8.046 1.00 0.00 C ATOM 1329 CE LYS A 90 -10.230 -2.261 -7.119 1.00 0.00 C ATOM 1330 NZ LYS A 90 -10.445 -3.383 -6.163 1.00 0.00 N ATOM 0 H LYS A 90 -7.370 1.359 -9.175 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.891 -1.550 -9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.213 -0.008 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.143 -0.428 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.443 -2.105 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.946 -2.838 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.791 -3.576 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.180 -1.967 -7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.059 -1.339 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.132 -2.113 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.257 -3.167 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.634 -4.258 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.594 -3.508 -5.578 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.863 -1.568 -11.503 1.00 0.00 N ATOM 1345 CA GLN A 91 -5.248 -1.635 -12.826 1.00 0.00 C ATOM 1346 C GLN A 91 -4.616 -3.008 -13.067 1.00 0.00 C ATOM 1347 O GLN A 91 -4.758 -3.918 -12.246 1.00 0.00 O ATOM 1348 CB GLN A 91 -4.191 -0.532 -12.969 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.946 -0.757 -12.122 1.00 0.00 C ATOM 1350 CD GLN A 91 -3.216 -0.623 -10.635 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -3.328 0.484 -10.111 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -3.324 -1.755 -9.947 1.00 0.00 N ATOM 0 H GLN A 91 -5.585 -2.321 -10.874 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.026 -1.484 -13.575 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.897 -0.457 -14.016 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.638 0.424 -12.694 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.547 -1.751 -12.326 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.179 -0.040 -12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.224 -2.652 -10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.507 -1.727 -8.944 1.00 0.00 H new ATOM 1361 N GLY A 92 -3.915 -3.151 -14.192 1.00 0.00 N ATOM 1362 CA GLY A 92 -3.271 -4.411 -14.514 1.00 0.00 C ATOM 1363 C GLY A 92 -3.033 -4.581 -16.001 1.00 0.00 C ATOM 1364 O GLY A 92 -3.884 -4.230 -16.822 1.00 0.00 O ATOM 0 H GLY A 92 -3.783 -2.414 -14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.318 -4.473 -13.988 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.889 -5.233 -14.152 1.00 0.00 H new ATOM 1368 N ALA A 93 -1.869 -5.124 -16.341 1.00 0.00 N ATOM 1369 CA ALA A 93 -1.497 -5.355 -17.735 1.00 0.00 C ATOM 1370 C ALA A 93 -1.306 -6.844 -18.016 1.00 0.00 C ATOM 1371 O ALA A 93 -1.577 -7.267 -19.160 1.00 0.00 O ATOM 1372 CB ALA A 93 -0.230 -4.586 -18.082 1.00 0.00 C ATOM 1373 OXT ALA A 93 -0.884 -7.576 -17.094 1.00 0.00 O ATOM 0 H ALA A 93 -1.162 -5.415 -15.666 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.311 -4.994 -18.363 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.033 -4.769 -19.124 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.399 -3.520 -17.933 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.585 -4.918 -17.438 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 13.172 -2.248 -5.613 1.00 0.00 N ATOM 1381 CA LEU B 99 12.554 -3.400 -6.332 1.00 0.00 C ATOM 1382 C LEU B 99 12.523 -4.668 -5.466 1.00 0.00 C ATOM 1383 O LEU B 99 12.611 -5.782 -5.985 1.00 0.00 O ATOM 1384 CB LEU B 99 13.353 -3.653 -7.620 1.00 0.00 C ATOM 1385 CG LEU B 99 12.528 -3.693 -8.915 1.00 0.00 C ATOM 1386 CD1 LEU B 99 11.389 -4.696 -8.800 1.00 0.00 C ATOM 1387 CD2 LEU B 99 11.992 -2.309 -9.255 1.00 0.00 C ATOM 0 HA LEU B 99 11.519 -3.153 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU B 99 14.109 -2.874 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU B 99 13.882 -4.600 -7.518 1.00 0.00 H new ATOM 0 HG LEU B 99 13.184 -4.014 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU B 99 10.819 -4.707 -9.729 1.00 0.00 H new ATOM 0 HD12 LEU B 99 11.797 -5.689 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU B 99 10.735 -4.411 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU B 99 11.411 -2.360 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU B 99 11.356 -1.956 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU B 99 12.825 -1.619 -9.390 1.00 0.00 H new ATOM 1401 N PHE B 100 12.389 -4.496 -4.146 1.00 0.00 N ATOM 1402 CA PHE B 100 12.337 -5.629 -3.222 1.00 0.00 C ATOM 1403 C PHE B 100 10.896 -5.903 -2.788 1.00 0.00 C ATOM 1404 O PHE B 100 9.989 -5.134 -3.111 1.00 0.00 O ATOM 1405 CB PHE B 100 13.217 -5.357 -1.995 1.00 0.00 C ATOM 1406 CG PHE B 100 14.453 -6.212 -1.937 1.00 0.00 C ATOM 1407 CD1 PHE B 100 14.374 -7.548 -1.575 1.00 0.00 C ATOM 1408 CD2 PHE B 100 15.696 -5.678 -2.240 1.00 0.00 C ATOM 1409 CE1 PHE B 100 15.509 -8.334 -1.518 1.00 0.00 C ATOM 1410 CE2 PHE B 100 16.835 -6.460 -2.184 1.00 0.00 C ATOM 1411 CZ PHE B 100 16.741 -7.790 -1.823 1.00 0.00 C ATOM 0 H PHE B 100 12.315 -3.583 -3.696 1.00 0.00 H new ATOM 0 HA PHE B 100 12.717 -6.511 -3.738 1.00 0.00 H new ATOM 0 HB2 PHE B 100 13.511 -4.308 -1.995 1.00 0.00 H new ATOM 0 HB3 PHE B 100 12.628 -5.523 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE B 100 13.414 -7.980 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE B 100 15.776 -4.639 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE B 100 15.433 -9.373 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE B 100 17.797 -6.031 -2.422 1.00 0.00 H new ATOM 0 HZ PHE B 100 17.629 -8.403 -1.779 1.00 0.00 H new ATOM 1421 N SER B 101 10.687 -7.000 -2.059 1.00 0.00 N ATOM 1422 CA SER B 101 9.350 -7.364 -1.593 1.00 0.00 C ATOM 1423 C SER B 101 9.318 -7.531 -0.074 1.00 0.00 C ATOM 1424 O SER B 101 9.707 -8.575 0.454 1.00 0.00 O ATOM 1425 CB SER B 101 8.882 -8.653 -2.278 1.00 0.00 C ATOM 1426 OG SER B 101 9.845 -9.686 -2.157 1.00 0.00 O ATOM 0 H SER B 101 11.423 -7.649 -1.780 1.00 0.00 H new ATOM 0 HA SER B 101 8.670 -6.554 -1.857 1.00 0.00 H new ATOM 0 HB2 SER B 101 7.940 -8.979 -1.837 1.00 0.00 H new ATOM 0 HB3 SER B 101 8.689 -8.456 -3.333 1.00 0.00 H new ATOM 0 HG SER B 101 10.166 -9.728 -1.232 1.00 0.00 H new ATOM 1432 N THR B 102 8.849 -6.496 0.619 1.00 0.00 N ATOM 1433 CA THR B 102 8.759 -6.523 2.077 1.00 0.00 C ATOM 1434 C THR B 102 7.380 -7.021 2.527 1.00 0.00 C ATOM 1435 O THR B 102 6.571 -7.452 1.702 1.00 0.00 O ATOM 1436 CB THR B 102 9.048 -5.127 2.648 1.00 0.00 C ATOM 1437 OG1 THR B 102 9.642 -5.226 3.931 1.00 0.00 O ATOM 1438 CG2 THR B 102 7.819 -4.248 2.781 1.00 0.00 C ATOM 0 H THR B 102 8.525 -5.627 0.194 1.00 0.00 H new ATOM 0 HA THR B 102 9.507 -7.217 2.460 1.00 0.00 H new ATOM 0 HB THR B 102 9.721 -4.663 1.927 1.00 0.00 H new ATOM 0 HG1 THR B 102 9.821 -4.327 4.279 1.00 0.00 H new ATOM 0 HG21 THR B 102 8.107 -3.280 3.191 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.365 -4.106 1.800 1.00 0.00 H new ATOM 0 HG23 THR B 102 7.101 -4.725 3.448 1.00 0.00 H new ATOM 1446 N GLU B 103 7.116 -6.948 3.833 1.00 0.00 N ATOM 1447 CA GLU B 103 5.834 -7.379 4.384 1.00 0.00 C ATOM 1448 C GLU B 103 5.391 -6.437 5.502 1.00 0.00 C ATOM 1449 O GLU B 103 6.077 -6.297 6.518 1.00 0.00 O ATOM 1450 CB GLU B 103 5.923 -8.825 4.897 1.00 0.00 C ATOM 1451 CG GLU B 103 4.727 -9.260 5.740 1.00 0.00 C ATOM 1452 CD GLU B 103 4.716 -10.748 6.046 1.00 0.00 C ATOM 1453 OE1 GLU B 103 5.135 -11.543 5.175 1.00 0.00 O ATOM 1454 OE2 GLU B 103 4.282 -11.121 7.156 1.00 0.00 O ATOM 0 H GLU B 103 7.774 -6.594 4.527 1.00 0.00 H new ATOM 0 HA GLU B 103 5.089 -7.345 3.589 1.00 0.00 H new ATOM 0 HB2 GLU B 103 6.017 -9.497 4.044 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.831 -8.934 5.490 1.00 0.00 H new ATOM 0 HG2 GLU B 103 4.731 -8.704 6.677 1.00 0.00 H new ATOM 0 HG3 GLU B 103 3.808 -8.997 5.217 1.00 0.00 H new ATOM 1461 N VAL B 104 4.245 -5.786 5.299 1.00 0.00 N ATOM 1462 CA VAL B 104 3.707 -4.847 6.281 1.00 0.00 C ATOM 1463 C VAL B 104 2.493 -5.435 7.011 1.00 0.00 C ATOM 1464 O VAL B 104 1.708 -6.174 6.374 1.00 0.00 O ATOM 1465 CB VAL B 104 3.327 -3.499 5.613 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.230 -3.691 4.576 1.00 0.00 C ATOM 1467 CG2 VAL B 104 2.908 -2.474 6.657 1.00 0.00 C ATOM 1468 OXT VAL B 104 2.345 -5.161 8.221 1.00 0.00 O ATOM 0 H VAL B 104 3.672 -5.893 4.462 1.00 0.00 H new ATOM 0 HA VAL B 104 4.491 -4.663 7.016 1.00 0.00 H new ATOM 0 HB VAL B 104 4.212 -3.121 5.101 1.00 0.00 H new ATOM 0 HG11 VAL B 104 1.984 -2.730 4.124 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.576 -4.377 3.803 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.343 -4.104 5.057 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.647 -1.538 6.163 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.044 -2.847 7.207 1.00 0.00 H new ATOM 0 HG23 VAL B 104 3.732 -2.301 7.349 1.00 0.00 H new TER 1478 VAL B 104