USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=21 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 17 MET CE :methyl 141:sc= -0.492 (180deg=-0.779) USER MOD Set 1.2: A 77 MET CE :methyl -146:sc= -4.85! (180deg=-6.81!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -139:sc= 1.17 (180deg=0) USER MOD Set 2.2: B 101 SER OG : rot -94:sc= 0.273 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0414 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 117:sc= -2.65! USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= -0.122 (180deg=-0.802) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -49:sc= 0.986 USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 0.00161 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.18) 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 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.2!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00473 USER MOD Single : A 70 GLN : amide:sc= -11.9! C(o=-12!,f=-10!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -100:sc= 1.25 USER MOD Single : A 81 SER OG : rot 180:sc= 0.079 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.944 X(o=-0.94,f=-0.77) USER MOD Single : B 102 THR OG1 : rot -24:sc= -1.72 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.858 11.667 -18.011 1.00 0.00 N ATOM 2 CA MET A 1 -5.332 11.772 -18.201 1.00 0.00 C ATOM 3 C MET A 1 -6.035 10.457 -17.861 1.00 0.00 C ATOM 4 O MET A 1 -5.386 9.423 -17.688 1.00 0.00 O ATOM 5 CB MET A 1 -5.615 12.166 -19.656 1.00 0.00 C ATOM 6 CG MET A 1 -5.910 13.647 -19.843 1.00 0.00 C ATOM 7 SD MET A 1 -7.103 13.957 -21.158 1.00 0.00 S ATOM 8 CE MET A 1 -6.008 14.195 -22.555 1.00 0.00 C ATOM 0 H1 MET A 1 -3.372 12.197 -18.763 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.598 12.063 -17.085 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.573 10.668 -18.053 1.00 0.00 H new ATOM 0 HA MET A 1 -5.722 12.533 -17.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.756 11.896 -20.270 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.463 11.587 -20.021 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.291 14.058 -18.908 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.982 14.173 -20.068 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.598 14.397 -23.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.346 15.038 -22.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.413 13.295 -22.709 1.00 0.00 H new ATOM 20 N LYS A 2 -7.368 10.511 -17.767 1.00 0.00 N ATOM 21 CA LYS A 2 -8.182 9.336 -17.445 1.00 0.00 C ATOM 22 C LYS A 2 -7.852 8.802 -16.049 1.00 0.00 C ATOM 23 O LYS A 2 -6.985 7.941 -15.891 1.00 0.00 O ATOM 24 CB LYS A 2 -7.983 8.236 -18.494 1.00 0.00 C ATOM 25 CG LYS A 2 -9.064 7.163 -18.467 1.00 0.00 C ATOM 26 CD LYS A 2 -9.512 6.781 -19.870 1.00 0.00 C ATOM 27 CE LYS A 2 -10.720 7.592 -20.315 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.730 6.752 -21.021 1.00 0.00 N ATOM 0 H LYS A 2 -7.909 11.364 -17.911 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.228 9.643 -17.454 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.959 8.690 -19.484 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.012 7.766 -18.335 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.687 6.279 -17.952 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.920 7.523 -17.897 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.691 6.937 -20.570 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.756 5.719 -19.898 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.182 8.060 -19.446 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.393 8.396 -20.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.536 7.344 -21.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.298 6.325 -21.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.062 6.000 -20.384 1.00 0.00 H new ATOM 42 N GLU A 3 -8.554 9.323 -15.043 1.00 0.00 N ATOM 43 CA GLU A 3 -8.346 8.909 -13.656 1.00 0.00 C ATOM 44 C GLU A 3 -8.837 7.478 -13.432 1.00 0.00 C ATOM 45 O GLU A 3 -10.028 7.194 -13.586 1.00 0.00 O ATOM 46 CB GLU A 3 -9.078 9.858 -12.704 1.00 0.00 C ATOM 47 CG GLU A 3 -8.505 11.267 -12.679 1.00 0.00 C ATOM 48 CD GLU A 3 -7.283 11.393 -11.786 1.00 0.00 C ATOM 49 OE1 GLU A 3 -7.269 10.772 -10.701 1.00 0.00 O ATOM 50 OE2 GLU A 3 -6.342 12.116 -12.171 1.00 0.00 O ATOM 0 H GLU A 3 -9.274 10.035 -15.164 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.276 8.946 -13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.128 9.908 -12.992 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.044 9.444 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.239 11.564 -13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.273 11.960 -12.335 1.00 0.00 H new ATOM 57 N PRO A 4 -7.920 6.555 -13.071 1.00 0.00 N ATOM 58 CA PRO A 4 -8.258 5.142 -12.830 1.00 0.00 C ATOM 59 C PRO A 4 -9.204 4.957 -11.640 1.00 0.00 C ATOM 60 O PRO A 4 -9.841 5.908 -11.184 1.00 0.00 O ATOM 61 CB PRO A 4 -6.896 4.487 -12.545 1.00 0.00 C ATOM 62 CG PRO A 4 -5.884 5.446 -13.070 1.00 0.00 C ATOM 63 CD PRO A 4 -6.483 6.807 -12.880 1.00 0.00 C ATOM 0 HA PRO A 4 -8.786 4.704 -13.677 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.758 4.314 -11.478 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -6.814 3.518 -13.038 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.941 5.354 -12.532 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.671 5.255 -14.122 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.270 7.209 -11.889 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.097 7.524 -13.605 1.00 0.00 H new ATOM 71 N GLU A 5 -9.290 3.723 -11.141 1.00 0.00 N ATOM 72 CA GLU A 5 -10.158 3.411 -10.010 1.00 0.00 C ATOM 73 C GLU A 5 -9.360 3.332 -8.714 1.00 0.00 C ATOM 74 O GLU A 5 -8.924 2.257 -8.296 1.00 0.00 O ATOM 75 CB GLU A 5 -10.904 2.097 -10.249 1.00 0.00 C ATOM 76 CG GLU A 5 -11.869 1.732 -9.129 1.00 0.00 C ATOM 77 CD GLU A 5 -12.938 0.751 -9.572 1.00 0.00 C ATOM 78 OE1 GLU A 5 -13.909 1.185 -10.227 1.00 0.00 O ATOM 79 OE2 GLU A 5 -12.804 -0.452 -9.264 1.00 0.00 O ATOM 0 H GLU A 5 -8.768 2.925 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.887 4.216 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.457 2.168 -11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.178 1.293 -10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.309 1.302 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.346 2.639 -8.756 1.00 0.00 H new ATOM 86 N ILE A 6 -9.181 4.484 -8.085 1.00 0.00 N ATOM 87 CA ILE A 6 -8.445 4.572 -6.830 1.00 0.00 C ATOM 88 C ILE A 6 -9.404 4.556 -5.640 1.00 0.00 C ATOM 89 O ILE A 6 -10.358 5.335 -5.591 1.00 0.00 O ATOM 90 CB ILE A 6 -7.590 5.854 -6.782 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.697 5.943 -8.023 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.752 5.895 -5.510 1.00 0.00 C ATOM 93 CD1 ILE A 6 -7.328 6.710 -9.165 1.00 0.00 C ATOM 0 H ILE A 6 -9.538 5.377 -8.425 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.787 3.705 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.258 6.716 -6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.756 6.421 -7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.457 4.935 -8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.156 6.808 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.409 5.877 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.090 5.029 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.641 6.734 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.255 6.220 -9.464 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.543 7.729 -8.844 1.00 0.00 H new ATOM 105 N ILE A 7 -9.145 3.662 -4.687 1.00 0.00 N ATOM 106 CA ILE A 7 -9.984 3.537 -3.495 1.00 0.00 C ATOM 107 C ILE A 7 -9.140 3.234 -2.261 1.00 0.00 C ATOM 108 O ILE A 7 -8.040 2.695 -2.372 1.00 0.00 O ATOM 109 CB ILE A 7 -11.044 2.425 -3.656 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.370 1.076 -3.926 1.00 0.00 C ATOM 111 CG2 ILE A 7 -12.021 2.769 -4.772 1.00 0.00 C ATOM 112 CD1 ILE A 7 -11.177 -0.106 -3.439 1.00 0.00 C ATOM 0 H ILE A 7 -8.359 3.012 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.490 4.494 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.605 2.349 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.198 0.972 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.393 1.063 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.759 1.972 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.527 3.706 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.478 2.876 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.642 -1.029 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.327 -0.025 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.145 -0.117 -3.941 1.00 0.00 H new ATOM 124 N THR A 8 -9.662 3.574 -1.087 1.00 0.00 N ATOM 125 CA THR A 8 -8.947 3.329 0.160 1.00 0.00 C ATOM 126 C THR A 8 -9.730 2.385 1.069 1.00 0.00 C ATOM 127 O THR A 8 -10.913 2.600 1.338 1.00 0.00 O ATOM 128 CB THR A 8 -8.658 4.647 0.882 1.00 0.00 C ATOM 129 OG1 THR A 8 -7.827 4.428 2.008 1.00 0.00 O ATOM 130 CG2 THR A 8 -9.901 5.366 1.362 1.00 0.00 C ATOM 0 H THR A 8 -10.573 4.018 -0.973 1.00 0.00 H new ATOM 0 HA THR A 8 -7.999 2.851 -0.087 1.00 0.00 H new ATOM 0 HB THR A 8 -8.167 5.275 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.976 4.898 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.616 6.291 1.864 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.539 5.598 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.444 4.728 2.059 1.00 0.00 H new ATOM 138 N VAL A 9 -9.054 1.340 1.540 1.00 0.00 N ATOM 139 CA VAL A 9 -9.674 0.359 2.422 1.00 0.00 C ATOM 140 C VAL A 9 -9.551 0.793 3.880 1.00 0.00 C ATOM 141 O VAL A 9 -8.562 0.491 4.550 1.00 0.00 O ATOM 142 CB VAL A 9 -9.042 -1.038 2.249 1.00 0.00 C ATOM 143 CG1 VAL A 9 -9.841 -2.084 3.013 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.942 -1.400 0.772 1.00 0.00 C ATOM 0 H VAL A 9 -8.075 1.152 1.324 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.727 0.299 2.148 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.033 -1.015 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.380 -3.063 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.853 -1.830 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.863 -2.109 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.494 -2.388 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.939 -1.406 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.322 -0.665 0.259 1.00 0.00 H new ATOM 154 N THR A 10 -10.562 1.512 4.360 1.00 0.00 N ATOM 155 CA THR A 10 -10.573 1.999 5.734 1.00 0.00 C ATOM 156 C THR A 10 -11.036 0.905 6.698 1.00 0.00 C ATOM 157 O THR A 10 -12.225 0.584 6.763 1.00 0.00 O ATOM 158 CB THR A 10 -11.477 3.230 5.848 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.108 4.213 4.894 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.439 3.881 7.213 1.00 0.00 C ATOM 0 H THR A 10 -11.385 1.770 3.816 1.00 0.00 H new ATOM 0 HA THR A 10 -9.556 2.281 6.007 1.00 0.00 H new ATOM 0 HB THR A 10 -12.487 2.861 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.698 4.991 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.102 4.746 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.766 3.165 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.421 4.202 7.435 1.00 0.00 H new ATOM 168 N LEU A 11 -10.086 0.335 7.441 1.00 0.00 N ATOM 169 CA LEU A 11 -10.388 -0.727 8.403 1.00 0.00 C ATOM 170 C LEU A 11 -9.587 -0.544 9.695 1.00 0.00 C ATOM 171 O LEU A 11 -8.775 0.373 9.807 1.00 0.00 O ATOM 172 CB LEU A 11 -10.078 -2.099 7.793 1.00 0.00 C ATOM 173 CG LEU A 11 -10.899 -2.461 6.555 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.340 -3.710 5.891 1.00 0.00 C ATOM 175 CD2 LEU A 11 -12.364 -2.658 6.925 1.00 0.00 C ATOM 0 H LEU A 11 -9.100 0.591 7.395 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.450 -0.670 8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.021 -2.132 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.241 -2.862 8.554 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.833 -1.637 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.937 -3.953 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.307 -3.531 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.375 -4.542 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.933 -2.915 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.450 -3.463 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.758 -1.737 7.354 1.00 0.00 H new ATOM 187 N LYS A 12 -9.819 -1.428 10.666 1.00 0.00 N ATOM 188 CA LYS A 12 -9.112 -1.368 11.944 1.00 0.00 C ATOM 189 C LYS A 12 -8.020 -2.434 12.007 1.00 0.00 C ATOM 190 O LYS A 12 -8.117 -3.471 11.349 1.00 0.00 O ATOM 191 CB LYS A 12 -10.095 -1.552 13.104 1.00 0.00 C ATOM 192 CG LYS A 12 -9.907 -0.544 14.229 1.00 0.00 C ATOM 193 CD LYS A 12 -11.064 -0.586 15.217 1.00 0.00 C ATOM 194 CE LYS A 12 -12.356 -0.072 14.596 1.00 0.00 C ATOM 195 NZ LYS A 12 -13.259 -1.180 14.172 1.00 0.00 N ATOM 0 H LYS A 12 -10.490 -2.193 10.591 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.644 -0.388 12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.113 -1.472 12.723 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.984 -2.559 13.507 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.973 -0.751 14.752 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.822 0.459 13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.209 -1.609 15.564 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.817 0.015 16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.875 0.562 15.315 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.119 0.551 13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.700 -0.939 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.709 -2.056 14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.999 -1.318 14.889 1.00 0.00 H new ATOM 209 N LYS A 13 -6.980 -2.171 12.797 1.00 0.00 N ATOM 210 CA LYS A 13 -5.866 -3.107 12.942 1.00 0.00 C ATOM 211 C LYS A 13 -6.333 -4.429 13.552 1.00 0.00 C ATOM 212 O LYS A 13 -6.518 -4.535 14.765 1.00 0.00 O ATOM 213 CB LYS A 13 -4.759 -2.488 13.804 1.00 0.00 C ATOM 214 CG LYS A 13 -3.546 -3.389 13.990 1.00 0.00 C ATOM 215 CD LYS A 13 -2.351 -2.905 13.179 1.00 0.00 C ATOM 216 CE LYS A 13 -1.305 -2.241 14.063 1.00 0.00 C ATOM 217 NZ LYS A 13 0.082 -2.461 13.560 1.00 0.00 N ATOM 0 H LYS A 13 -6.886 -1.317 13.347 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.468 -3.314 11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.437 -1.552 13.348 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.170 -2.241 14.783 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.278 -3.424 15.046 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.800 -4.406 13.691 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.902 -3.748 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.688 -2.199 12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.504 -1.171 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.388 -2.632 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.760 -1.991 14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.284 -3.481 13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.171 -2.065 12.603 1.00 0.00 H new ATOM 231 N GLN A 14 -6.517 -5.435 12.698 1.00 0.00 N ATOM 232 CA GLN A 14 -6.957 -6.754 13.143 1.00 0.00 C ATOM 233 C GLN A 14 -5.764 -7.704 13.256 1.00 0.00 C ATOM 234 O GLN A 14 -5.509 -8.510 12.359 1.00 0.00 O ATOM 235 CB GLN A 14 -8.000 -7.320 12.174 1.00 0.00 C ATOM 236 CG GLN A 14 -9.064 -8.172 12.849 1.00 0.00 C ATOM 237 CD GLN A 14 -8.966 -9.638 12.470 1.00 0.00 C ATOM 238 OE1 GLN A 14 -9.797 -10.156 11.725 1.00 0.00 O ATOM 239 NE2 GLN A 14 -7.944 -10.315 12.983 1.00 0.00 N ATOM 0 H GLN A 14 -6.367 -5.360 11.692 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.414 -6.655 14.128 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.485 -6.494 11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.493 -7.920 11.418 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.971 -8.073 13.931 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.051 -7.796 12.578 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.278 -9.846 13.597 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.826 -11.304 12.763 1.00 0.00 H new ATOM 248 N ASN A 15 -5.030 -7.591 14.366 1.00 0.00 N ATOM 249 CA ASN A 15 -3.852 -8.425 14.612 1.00 0.00 C ATOM 250 C ASN A 15 -2.832 -8.288 13.475 1.00 0.00 C ATOM 251 O ASN A 15 -2.156 -9.254 13.112 1.00 0.00 O ATOM 252 CB ASN A 15 -4.256 -9.893 14.790 1.00 0.00 C ATOM 253 CG ASN A 15 -4.589 -10.231 16.232 1.00 0.00 C ATOM 254 OD1 ASN A 15 -5.754 -10.407 16.586 1.00 0.00 O ATOM 255 ND2 ASN A 15 -3.565 -10.322 17.076 1.00 0.00 N ATOM 0 H ASN A 15 -5.233 -6.926 15.112 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.384 -8.078 15.533 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.119 -10.108 14.161 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.444 -10.535 14.448 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.731 -10.545 18.057 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.614 -10.169 16.742 1.00 0.00 H new ATOM 262 N GLY A 16 -2.725 -7.078 12.921 1.00 0.00 N ATOM 263 CA GLY A 16 -1.788 -6.831 11.839 1.00 0.00 C ATOM 264 C GLY A 16 -2.457 -6.833 10.475 1.00 0.00 C ATOM 265 O GLY A 16 -3.559 -7.363 10.317 1.00 0.00 O ATOM 0 H GLY A 16 -3.273 -6.266 13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.300 -5.870 11.999 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.008 -7.592 11.858 1.00 0.00 H new ATOM 269 N MET A 17 -1.789 -6.238 9.487 1.00 0.00 N ATOM 270 CA MET A 17 -2.324 -6.172 8.129 1.00 0.00 C ATOM 271 C MET A 17 -2.149 -7.507 7.406 1.00 0.00 C ATOM 272 O MET A 17 -3.036 -7.939 6.666 1.00 0.00 O ATOM 273 CB MET A 17 -1.643 -5.051 7.338 1.00 0.00 C ATOM 274 CG MET A 17 -2.329 -3.703 7.485 1.00 0.00 C ATOM 275 SD MET A 17 -1.578 -2.429 6.454 1.00 0.00 S ATOM 276 CE MET A 17 -0.042 -2.144 7.330 1.00 0.00 C ATOM 0 H MET A 17 -0.877 -5.795 9.602 1.00 0.00 H new ATOM 0 HA MET A 17 -3.390 -5.957 8.198 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.608 -4.961 7.668 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.619 -5.324 6.283 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.382 -3.804 7.222 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.290 -3.391 8.529 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.764 -1.993 6.612 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.140 -1.258 7.957 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.186 -3.007 7.955 1.00 0.00 H new ATOM 286 N GLY A 18 -1.006 -8.157 7.629 1.00 0.00 N ATOM 287 CA GLY A 18 -0.736 -9.438 6.999 1.00 0.00 C ATOM 288 C GLY A 18 -0.672 -9.350 5.487 1.00 0.00 C ATOM 289 O GLY A 18 -1.561 -9.845 4.795 1.00 0.00 O ATOM 0 H GLY A 18 -0.261 -7.816 8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.209 -9.830 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.512 -10.148 7.284 1.00 0.00 H new ATOM 293 N LEU A 19 0.383 -8.719 4.975 1.00 0.00 N ATOM 294 CA LEU A 19 0.571 -8.567 3.530 1.00 0.00 C ATOM 295 C LEU A 19 2.030 -8.254 3.197 1.00 0.00 C ATOM 296 O LEU A 19 2.861 -8.100 4.091 1.00 0.00 O ATOM 297 CB LEU A 19 -0.340 -7.465 2.987 1.00 0.00 C ATOM 298 CG LEU A 19 0.003 -6.057 3.468 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.895 -5.349 2.460 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.263 -5.254 3.728 1.00 0.00 C ATOM 0 H LEU A 19 1.124 -8.303 5.540 1.00 0.00 H new ATOM 0 HA LEU A 19 0.306 -9.511 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.298 -7.482 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.368 -7.690 3.270 1.00 0.00 H new ATOM 0 HG LEU A 19 0.550 -6.140 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.128 -4.347 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.819 -5.913 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.378 -5.279 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.996 -4.254 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.842 -5.180 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.859 -5.752 4.493 1.00 0.00 H new ATOM 312 N SER A 20 2.331 -8.161 1.904 1.00 0.00 N ATOM 313 CA SER A 20 3.684 -7.866 1.444 1.00 0.00 C ATOM 314 C SER A 20 3.660 -6.812 0.341 1.00 0.00 C ATOM 315 O SER A 20 2.916 -6.942 -0.630 1.00 0.00 O ATOM 316 CB SER A 20 4.355 -9.145 0.935 1.00 0.00 C ATOM 317 OG SER A 20 5.336 -9.608 1.848 1.00 0.00 O ATOM 0 H SER A 20 1.652 -8.287 1.154 1.00 0.00 H new ATOM 0 HA SER A 20 4.257 -7.473 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.602 -9.918 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.817 -8.956 -0.034 1.00 0.00 H new ATOM 0 HG SER A 20 5.922 -8.865 2.104 1.00 0.00 H new ATOM 323 N ILE A 21 4.474 -5.767 0.498 1.00 0.00 N ATOM 324 CA ILE A 21 4.536 -4.691 -0.491 1.00 0.00 C ATOM 325 C ILE A 21 5.950 -4.519 -1.045 1.00 0.00 C ATOM 326 O ILE A 21 6.935 -4.851 -0.381 1.00 0.00 O ATOM 327 CB ILE A 21 4.043 -3.346 0.092 1.00 0.00 C ATOM 328 CG1 ILE A 21 4.794 -2.997 1.382 1.00 0.00 C ATOM 329 CG2 ILE A 21 2.544 -3.401 0.348 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.175 -2.434 1.142 1.00 0.00 C ATOM 0 H ILE A 21 5.096 -5.643 1.297 1.00 0.00 H new ATOM 0 HA ILE A 21 3.871 -4.982 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 21 4.247 -2.563 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.209 -2.273 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.877 -3.892 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.210 -2.448 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.022 -3.596 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.325 -4.198 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.648 -2.210 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.777 -3.165 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.098 -1.520 0.552 1.00 0.00 H new ATOM 342 N VAL A 22 6.040 -4.004 -2.274 1.00 0.00 N ATOM 343 CA VAL A 22 7.329 -3.792 -2.931 1.00 0.00 C ATOM 344 C VAL A 22 7.328 -2.497 -3.750 1.00 0.00 C ATOM 345 O VAL A 22 6.301 -2.103 -4.307 1.00 0.00 O ATOM 346 CB VAL A 22 7.686 -4.977 -3.857 1.00 0.00 C ATOM 347 CG1 VAL A 22 9.073 -4.796 -4.458 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.598 -6.297 -3.105 1.00 0.00 C ATOM 0 H VAL A 22 5.234 -3.726 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 22 8.079 -3.715 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 22 6.961 -4.998 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.302 -5.642 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.100 -3.875 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.812 -4.741 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.853 -7.116 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.294 -6.285 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.583 -6.436 -2.732 1.00 0.00 H new ATOM 358 N ALA A 23 8.490 -1.841 -3.818 1.00 0.00 N ATOM 359 CA ALA A 23 8.632 -0.591 -4.566 1.00 0.00 C ATOM 360 C ALA A 23 9.423 -0.806 -5.857 1.00 0.00 C ATOM 361 O ALA A 23 10.323 -1.647 -5.908 1.00 0.00 O ATOM 362 CB ALA A 23 9.307 0.466 -3.703 1.00 0.00 C ATOM 0 H ALA A 23 9.347 -2.156 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 23 7.635 -0.244 -4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.406 1.391 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.704 0.650 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.295 0.115 -3.405 1.00 0.00 H new ATOM 368 N ALA A 24 9.084 -0.039 -6.896 1.00 0.00 N ATOM 369 CA ALA A 24 9.763 -0.146 -8.187 1.00 0.00 C ATOM 370 C ALA A 24 9.780 1.192 -8.928 1.00 0.00 C ATOM 371 O ALA A 24 8.919 2.046 -8.706 1.00 0.00 O ATOM 372 CB ALA A 24 9.096 -1.213 -9.045 1.00 0.00 C ATOM 0 H ALA A 24 8.344 0.662 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 24 10.797 -0.433 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.610 -1.283 -10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.147 -2.175 -8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.053 -0.946 -9.212 1.00 0.00 H new ATOM 378 N LYS A 25 10.764 1.359 -9.815 1.00 0.00 N ATOM 379 CA LYS A 25 10.899 2.586 -10.603 1.00 0.00 C ATOM 380 C LYS A 25 10.817 2.281 -12.101 1.00 0.00 C ATOM 381 O LYS A 25 10.669 1.123 -12.499 1.00 0.00 O ATOM 382 CB LYS A 25 12.227 3.285 -10.280 1.00 0.00 C ATOM 383 CG LYS A 25 12.068 4.755 -9.919 1.00 0.00 C ATOM 384 CD LYS A 25 13.402 5.395 -9.561 1.00 0.00 C ATOM 385 CE LYS A 25 13.257 6.896 -9.348 1.00 0.00 C ATOM 386 NZ LYS A 25 14.446 7.486 -8.669 1.00 0.00 N ATOM 0 H LYS A 25 11.480 0.658 -10.006 1.00 0.00 H new ATOM 0 HA LYS A 25 10.076 3.251 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.709 2.766 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.892 3.200 -11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.622 5.289 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.381 4.851 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.798 4.934 -8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.123 5.207 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.111 7.385 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.366 7.092 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.588 8.461 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.292 7.490 -7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.289 6.919 -8.890 1.00 0.00 H new ATOM 400 N GLY A 26 10.916 3.324 -12.929 1.00 0.00 N ATOM 401 CA GLY A 26 10.854 3.140 -14.366 1.00 0.00 C ATOM 402 C GLY A 26 11.384 4.343 -15.112 1.00 0.00 C ATOM 403 O GLY A 26 12.339 4.984 -14.666 1.00 0.00 O ATOM 0 H GLY A 26 11.038 4.290 -12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.430 2.258 -14.644 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.822 2.954 -14.664 1.00 0.00 H new ATOM 407 N ALA A 27 10.762 4.662 -16.242 1.00 0.00 N ATOM 408 CA ALA A 27 11.181 5.808 -17.032 1.00 0.00 C ATOM 409 C ALA A 27 10.178 6.950 -16.904 1.00 0.00 C ATOM 410 O ALA A 27 8.975 6.716 -16.758 1.00 0.00 O ATOM 411 CB ALA A 27 11.369 5.421 -18.493 1.00 0.00 C ATOM 0 H ALA A 27 9.971 4.145 -16.627 1.00 0.00 H new ATOM 0 HA ALA A 27 12.141 6.151 -16.645 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.682 6.295 -19.064 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.131 4.646 -18.569 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.428 5.045 -18.894 1.00 0.00 H new ATOM 417 N GLY A 28 10.683 8.185 -16.939 1.00 0.00 N ATOM 418 CA GLY A 28 9.817 9.347 -16.802 1.00 0.00 C ATOM 419 C GLY A 28 9.060 9.331 -15.485 1.00 0.00 C ATOM 420 O GLY A 28 7.956 9.867 -15.384 1.00 0.00 O ATOM 0 H GLY A 28 11.673 8.400 -17.059 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.415 10.256 -16.867 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.108 9.372 -17.629 1.00 0.00 H new ATOM 424 N GLN A 29 9.659 8.692 -14.479 1.00 0.00 N ATOM 425 CA GLN A 29 9.051 8.574 -13.163 1.00 0.00 C ATOM 426 C GLN A 29 10.123 8.563 -12.079 1.00 0.00 C ATOM 427 O GLN A 29 10.825 7.566 -11.899 1.00 0.00 O ATOM 428 CB GLN A 29 8.200 7.302 -13.102 1.00 0.00 C ATOM 429 CG GLN A 29 7.214 7.286 -11.945 1.00 0.00 C ATOM 430 CD GLN A 29 7.549 6.246 -10.891 1.00 0.00 C ATOM 431 OE1 GLN A 29 6.657 5.703 -10.240 1.00 0.00 O ATOM 432 NE2 GLN A 29 8.834 5.964 -10.709 1.00 0.00 N ATOM 0 H GLN A 29 10.573 8.246 -14.557 1.00 0.00 H new ATOM 0 HA GLN A 29 8.407 9.436 -12.988 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.651 7.196 -14.038 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.859 6.437 -13.019 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.192 8.272 -11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.213 7.094 -12.331 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.544 6.436 -11.269 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.111 5.275 -10.009 1.00 0.00 H new ATOM 441 N ASP A 30 10.246 9.680 -11.361 1.00 0.00 N ATOM 442 CA ASP A 30 11.237 9.800 -10.295 1.00 0.00 C ATOM 443 C ASP A 30 10.624 9.496 -8.925 1.00 0.00 C ATOM 444 O ASP A 30 11.090 10.001 -7.902 1.00 0.00 O ATOM 445 CB ASP A 30 11.856 11.201 -10.301 1.00 0.00 C ATOM 446 CG ASP A 30 13.242 11.220 -9.689 1.00 0.00 C ATOM 447 OD1 ASP A 30 14.121 10.481 -10.183 1.00 0.00 O ATOM 448 OD2 ASP A 30 13.450 11.970 -8.713 1.00 0.00 O ATOM 0 H ASP A 30 9.672 10.512 -11.499 1.00 0.00 H new ATOM 0 HA ASP A 30 12.020 9.065 -10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.909 11.568 -11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.209 11.884 -9.751 1.00 0.00 H new ATOM 453 N LYS A 31 9.586 8.659 -8.912 1.00 0.00 N ATOM 454 CA LYS A 31 8.918 8.276 -7.674 1.00 0.00 C ATOM 455 C LYS A 31 8.994 6.762 -7.475 1.00 0.00 C ATOM 456 O LYS A 31 9.775 6.085 -8.144 1.00 0.00 O ATOM 457 CB LYS A 31 7.456 8.737 -7.692 1.00 0.00 C ATOM 458 CG LYS A 31 7.275 10.182 -8.136 1.00 0.00 C ATOM 459 CD LYS A 31 6.718 10.268 -9.549 1.00 0.00 C ATOM 460 CE LYS A 31 5.966 11.571 -9.778 1.00 0.00 C ATOM 461 NZ LYS A 31 6.054 12.024 -11.195 1.00 0.00 N ATOM 0 H LYS A 31 9.190 8.233 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 31 9.426 8.762 -6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.888 8.088 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.034 8.617 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.602 10.693 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.233 10.700 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.534 10.187 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.050 9.426 -9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.919 11.439 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.371 12.343 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.529 12.914 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.051 12.175 -11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.644 11.299 -11.817 1.00 0.00 H new ATOM 475 N LEU A 32 8.184 6.234 -6.557 1.00 0.00 N ATOM 476 CA LEU A 32 8.170 4.800 -6.287 1.00 0.00 C ATOM 477 C LEU A 32 6.760 4.326 -5.944 1.00 0.00 C ATOM 478 O LEU A 32 6.127 4.851 -5.026 1.00 0.00 O ATOM 479 CB LEU A 32 9.131 4.463 -5.143 1.00 0.00 C ATOM 480 CG LEU A 32 10.202 3.421 -5.474 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.994 3.832 -6.709 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.130 3.224 -4.284 1.00 0.00 C ATOM 0 H LEU A 32 7.532 6.777 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 32 8.498 4.282 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.626 5.380 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.548 4.104 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 32 9.707 2.474 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.749 3.076 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.319 3.924 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.481 4.790 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.887 2.480 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.616 4.169 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.553 2.881 -3.425 1.00 0.00 H new ATOM 494 N GLY A 33 6.276 3.333 -6.690 1.00 0.00 N ATOM 495 CA GLY A 33 4.945 2.805 -6.454 1.00 0.00 C ATOM 496 C GLY A 33 4.941 1.671 -5.445 1.00 0.00 C ATOM 497 O GLY A 33 5.577 0.640 -5.663 1.00 0.00 O ATOM 0 H GLY A 33 6.784 2.886 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.297 3.606 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.526 2.451 -7.396 1.00 0.00 H new ATOM 501 N ILE A 34 4.222 1.861 -4.338 1.00 0.00 N ATOM 502 CA ILE A 34 4.138 0.843 -3.292 1.00 0.00 C ATOM 503 C ILE A 34 3.128 -0.244 -3.668 1.00 0.00 C ATOM 504 O ILE A 34 2.020 -0.293 -3.130 1.00 0.00 O ATOM 505 CB ILE A 34 3.747 1.459 -1.927 1.00 0.00 C ATOM 506 CG1 ILE A 34 4.560 2.728 -1.649 1.00 0.00 C ATOM 507 CG2 ILE A 34 3.940 0.446 -0.806 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.060 2.528 -1.732 1.00 0.00 C ATOM 0 H ILE A 34 3.690 2.709 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 34 5.129 0.398 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 34 2.692 1.731 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.266 3.499 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.307 3.099 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.660 0.898 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.313 -0.426 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.985 0.140 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.565 3.471 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.369 1.781 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.327 2.188 -2.732 1.00 0.00 H new ATOM 520 N TYR A 35 3.520 -1.109 -4.601 1.00 0.00 N ATOM 521 CA TYR A 35 2.657 -2.196 -5.061 1.00 0.00 C ATOM 522 C TYR A 35 2.502 -3.277 -3.991 1.00 0.00 C ATOM 523 O TYR A 35 3.230 -3.294 -2.997 1.00 0.00 O ATOM 524 CB TYR A 35 3.221 -2.820 -6.341 1.00 0.00 C ATOM 525 CG TYR A 35 3.474 -1.827 -7.455 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.422 -1.289 -8.186 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.767 -1.433 -7.778 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.651 -0.388 -9.207 1.00 0.00 C ATOM 529 CE2 TYR A 35 5.004 -0.534 -8.800 1.00 0.00 C ATOM 530 CZ TYR A 35 3.944 -0.013 -9.510 1.00 0.00 C ATOM 531 OH TYR A 35 4.177 0.882 -10.531 1.00 0.00 O ATOM 0 H TYR A 35 4.433 -1.078 -5.055 1.00 0.00 H new ATOM 0 HA TYR A 35 1.675 -1.771 -5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.155 -3.328 -6.103 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.526 -3.580 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.409 -1.580 -7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.600 -1.836 -7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.822 0.021 -9.766 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.015 -0.241 -9.041 1.00 0.00 H new ATOM 0 HH TYR A 35 5.141 1.040 -10.614 1.00 0.00 H new ATOM 541 N VAL A 36 1.549 -4.184 -4.212 1.00 0.00 N ATOM 542 CA VAL A 36 1.292 -5.279 -3.278 1.00 0.00 C ATOM 543 C VAL A 36 1.776 -6.612 -3.848 1.00 0.00 C ATOM 544 O VAL A 36 1.177 -7.155 -4.778 1.00 0.00 O ATOM 545 CB VAL A 36 -0.210 -5.394 -2.938 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.440 -6.451 -1.867 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.769 -4.049 -2.496 1.00 0.00 C ATOM 0 H VAL A 36 0.942 -4.181 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 36 1.845 -5.051 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.739 -5.701 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.505 -6.516 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.086 -7.417 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.105 -6.178 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.828 -4.154 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.234 -3.706 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.646 -3.322 -3.299 1.00 0.00 H new ATOM 557 N LYS A 37 2.859 -7.136 -3.274 1.00 0.00 N ATOM 558 CA LYS A 37 3.426 -8.411 -3.710 1.00 0.00 C ATOM 559 C LYS A 37 2.447 -9.558 -3.458 1.00 0.00 C ATOM 560 O LYS A 37 2.232 -10.402 -4.329 1.00 0.00 O ATOM 561 CB LYS A 37 4.745 -8.681 -2.977 1.00 0.00 C ATOM 562 CG LYS A 37 5.651 -9.676 -3.688 1.00 0.00 C ATOM 563 CD LYS A 37 7.050 -9.684 -3.087 1.00 0.00 C ATOM 564 CE LYS A 37 7.566 -11.102 -2.878 1.00 0.00 C ATOM 565 NZ LYS A 37 8.339 -11.235 -1.610 1.00 0.00 N ATOM 0 H LYS A 37 3.362 -6.695 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 37 3.617 -8.349 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.281 -7.740 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.524 -9.055 -1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.219 -10.675 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.710 -9.424 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.731 -9.142 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.039 -9.156 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.725 -11.795 -2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.199 -11.385 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.175 -11.832 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.643 -10.294 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.739 -11.672 -0.882 1.00 0.00 H new ATOM 579 N SER A 38 1.857 -9.580 -2.259 1.00 0.00 N ATOM 580 CA SER A 38 0.898 -10.619 -1.888 1.00 0.00 C ATOM 581 C SER A 38 0.319 -10.355 -0.498 1.00 0.00 C ATOM 582 O SER A 38 0.943 -9.686 0.324 1.00 0.00 O ATOM 583 CB SER A 38 1.562 -12.001 -1.921 1.00 0.00 C ATOM 584 OG SER A 38 2.461 -12.167 -0.837 1.00 0.00 O ATOM 0 H SER A 38 2.029 -8.888 -1.529 1.00 0.00 H new ATOM 0 HA SER A 38 0.085 -10.599 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.796 -12.776 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.097 -12.127 -2.862 1.00 0.00 H new ATOM 0 HG SER A 38 2.868 -13.057 -0.883 1.00 0.00 H new ATOM 590 N VAL A 39 -0.873 -10.890 -0.238 1.00 0.00 N ATOM 591 CA VAL A 39 -1.522 -10.713 1.059 1.00 0.00 C ATOM 592 C VAL A 39 -1.403 -11.980 1.902 1.00 0.00 C ATOM 593 O VAL A 39 -1.673 -13.084 1.426 1.00 0.00 O ATOM 594 CB VAL A 39 -3.014 -10.337 0.913 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.580 -9.870 2.247 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.196 -9.262 -0.149 1.00 0.00 C ATOM 0 H VAL A 39 -1.407 -11.447 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.008 -9.892 1.558 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.561 -11.226 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.631 -9.609 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.487 -10.670 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.027 -8.996 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.253 -9.012 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.635 -8.372 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.831 -9.632 -1.107 1.00 0.00 H new ATOM 606 N VAL A 40 -0.993 -11.810 3.157 1.00 0.00 N ATOM 607 CA VAL A 40 -0.831 -12.933 4.074 1.00 0.00 C ATOM 608 C VAL A 40 -2.178 -13.369 4.648 1.00 0.00 C ATOM 609 O VAL A 40 -2.968 -12.540 5.103 1.00 0.00 O ATOM 610 CB VAL A 40 0.128 -12.582 5.234 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.406 -13.805 6.094 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.429 -11.995 4.698 1.00 0.00 C ATOM 0 H VAL A 40 -0.767 -10.902 3.562 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.402 -13.754 3.500 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.355 -11.830 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.083 -13.534 6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.530 -14.176 6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.864 -14.583 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.090 -11.755 5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.915 -12.722 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.213 -11.088 4.133 1.00 0.00 H new ATOM 622 N LYS A 41 -2.430 -14.677 4.621 1.00 0.00 N ATOM 623 CA LYS A 41 -3.678 -15.233 5.135 1.00 0.00 C ATOM 624 C LYS A 41 -3.840 -14.931 6.620 1.00 0.00 C ATOM 625 O LYS A 41 -2.940 -15.197 7.419 1.00 0.00 O ATOM 626 CB LYS A 41 -3.722 -16.746 4.903 1.00 0.00 C ATOM 627 CG LYS A 41 -4.511 -17.154 3.668 1.00 0.00 C ATOM 628 CD LYS A 41 -3.996 -16.454 2.419 1.00 0.00 C ATOM 629 CE LYS A 41 -4.226 -17.293 1.171 1.00 0.00 C ATOM 630 NZ LYS A 41 -2.960 -17.888 0.658 1.00 0.00 N ATOM 0 H LYS A 41 -1.784 -15.372 4.247 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.502 -14.765 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.702 -17.120 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.160 -17.226 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.446 -18.234 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.564 -16.914 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.496 -15.492 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.931 -16.249 2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.936 -18.089 1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.676 -16.673 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.161 -18.452 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.291 -17.128 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.543 -18.500 1.388 1.00 0.00 H new ATOM 644 N GLY A 42 -4.991 -14.368 6.981 1.00 0.00 N ATOM 645 CA GLY A 42 -5.254 -14.030 8.369 1.00 0.00 C ATOM 646 C GLY A 42 -5.211 -12.534 8.631 1.00 0.00 C ATOM 647 O GLY A 42 -5.780 -12.058 9.616 1.00 0.00 O ATOM 0 H GLY A 42 -5.747 -14.140 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.233 -14.415 8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.520 -14.526 9.004 1.00 0.00 H new ATOM 651 N GLY A 43 -4.537 -11.789 7.752 1.00 0.00 N ATOM 652 CA GLY A 43 -4.438 -10.350 7.914 1.00 0.00 C ATOM 653 C GLY A 43 -5.782 -9.646 7.800 1.00 0.00 C ATOM 654 O GLY A 43 -6.720 -10.173 7.198 1.00 0.00 O ATOM 0 H GLY A 43 -4.059 -12.160 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.999 -10.129 8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.760 -9.951 7.160 1.00 0.00 H new ATOM 658 N ALA A 44 -5.868 -8.449 8.383 1.00 0.00 N ATOM 659 CA ALA A 44 -7.098 -7.653 8.360 1.00 0.00 C ATOM 660 C ALA A 44 -7.562 -7.356 6.932 1.00 0.00 C ATOM 661 O ALA A 44 -8.763 -7.359 6.651 1.00 0.00 O ATOM 662 CB ALA A 44 -6.892 -6.351 9.121 1.00 0.00 C ATOM 0 H ALA A 44 -5.095 -8.007 8.880 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.878 -8.241 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.812 -5.767 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.628 -6.572 10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.088 -5.781 8.655 1.00 0.00 H new ATOM 668 N ALA A 45 -6.610 -7.093 6.036 1.00 0.00 N ATOM 669 CA ALA A 45 -6.932 -6.789 4.642 1.00 0.00 C ATOM 670 C ALA A 45 -7.306 -8.050 3.865 1.00 0.00 C ATOM 671 O ALA A 45 -8.170 -8.011 2.987 1.00 0.00 O ATOM 672 CB ALA A 45 -5.763 -6.086 3.966 1.00 0.00 C ATOM 0 H ALA A 45 -5.613 -7.084 6.250 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.796 -6.125 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.020 -5.867 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.546 -5.155 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.885 -6.731 3.994 1.00 0.00 H new ATOM 678 N ASP A 46 -6.650 -9.164 4.186 1.00 0.00 N ATOM 679 CA ASP A 46 -6.917 -10.430 3.509 1.00 0.00 C ATOM 680 C ASP A 46 -8.342 -10.910 3.780 1.00 0.00 C ATOM 681 O ASP A 46 -9.044 -11.339 2.863 1.00 0.00 O ATOM 682 CB ASP A 46 -5.915 -11.499 3.952 1.00 0.00 C ATOM 683 CG ASP A 46 -5.847 -12.665 2.983 1.00 0.00 C ATOM 684 OD1 ASP A 46 -5.443 -12.450 1.820 1.00 0.00 O ATOM 685 OD2 ASP A 46 -6.199 -13.794 3.387 1.00 0.00 O ATOM 0 H ASP A 46 -5.932 -9.215 4.909 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.807 -10.262 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.926 -11.050 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.193 -11.867 4.940 1.00 0.00 H new ATOM 690 N VAL A 47 -8.762 -10.837 5.043 1.00 0.00 N ATOM 691 CA VAL A 47 -10.104 -11.269 5.436 1.00 0.00 C ATOM 692 C VAL A 47 -11.187 -10.443 4.736 1.00 0.00 C ATOM 693 O VAL A 47 -12.254 -10.962 4.405 1.00 0.00 O ATOM 694 CB VAL A 47 -10.308 -11.175 6.965 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.663 -11.745 7.368 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.186 -11.889 7.705 1.00 0.00 C ATOM 0 H VAL A 47 -8.193 -10.483 5.812 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.194 -12.311 5.129 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.285 -10.121 7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.783 -11.668 8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.456 -11.183 6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.720 -12.792 7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.351 -11.810 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.171 -12.940 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.231 -11.429 7.449 1.00 0.00 H new ATOM 706 N ASP A 48 -10.911 -9.157 4.517 1.00 0.00 N ATOM 707 CA ASP A 48 -11.867 -8.268 3.860 1.00 0.00 C ATOM 708 C ASP A 48 -12.059 -8.642 2.390 1.00 0.00 C ATOM 709 O ASP A 48 -13.185 -8.854 1.937 1.00 0.00 O ATOM 710 CB ASP A 48 -11.405 -6.813 3.974 1.00 0.00 C ATOM 711 CG ASP A 48 -12.564 -5.835 3.942 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.054 -5.532 2.835 1.00 0.00 O ATOM 713 OD2 ASP A 48 -12.980 -5.375 5.026 1.00 0.00 O ATOM 0 H ASP A 48 -10.035 -8.709 4.785 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.826 -8.381 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.849 -6.683 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.720 -6.587 3.157 1.00 0.00 H new ATOM 718 N GLY A 49 -10.954 -8.720 1.649 1.00 0.00 N ATOM 719 CA GLY A 49 -11.023 -9.068 0.238 1.00 0.00 C ATOM 720 C GLY A 49 -11.279 -7.867 -0.661 1.00 0.00 C ATOM 721 O GLY A 49 -11.893 -8.004 -1.721 1.00 0.00 O ATOM 0 H GLY A 49 -10.012 -8.548 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.088 -9.544 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.816 -9.801 0.089 1.00 0.00 H new ATOM 725 N ARG A 50 -10.805 -6.692 -0.247 1.00 0.00 N ATOM 726 CA ARG A 50 -10.984 -5.473 -1.036 1.00 0.00 C ATOM 727 C ARG A 50 -9.925 -5.378 -2.131 1.00 0.00 C ATOM 728 O ARG A 50 -10.229 -5.042 -3.277 1.00 0.00 O ATOM 729 CB ARG A 50 -10.909 -4.234 -0.139 1.00 0.00 C ATOM 730 CG ARG A 50 -12.243 -3.840 0.473 1.00 0.00 C ATOM 731 CD ARG A 50 -12.847 -2.627 -0.222 1.00 0.00 C ATOM 732 NE ARG A 50 -14.238 -2.857 -0.618 1.00 0.00 N ATOM 733 CZ ARG A 50 -15.099 -1.885 -0.932 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.719 -0.611 -0.905 1.00 0.00 N ATOM 735 NH2 ARG A 50 -16.345 -2.189 -1.277 1.00 0.00 N ATOM 0 H ARG A 50 -10.296 -6.558 0.627 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.969 -5.516 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.193 -4.419 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.526 -3.397 -0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.935 -4.679 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.107 -3.622 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.798 -1.766 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.255 -2.382 -1.104 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.571 -3.820 -0.657 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.763 -0.369 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.383 0.125 -1.146 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.644 -3.164 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.003 -1.448 -1.517 1.00 0.00 H new ATOM 749 N LEU A 51 -8.679 -5.675 -1.766 1.00 0.00 N ATOM 750 CA LEU A 51 -7.563 -5.625 -2.705 1.00 0.00 C ATOM 751 C LEU A 51 -6.975 -7.020 -2.931 1.00 0.00 C ATOM 752 O LEU A 51 -7.430 -7.999 -2.336 1.00 0.00 O ATOM 753 CB LEU A 51 -6.480 -4.677 -2.181 1.00 0.00 C ATOM 754 CG LEU A 51 -5.913 -5.037 -0.805 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.413 -4.787 -0.763 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.619 -4.249 0.289 1.00 0.00 C ATOM 0 H LEU A 51 -8.417 -5.954 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.935 -5.253 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.661 -4.653 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.892 -3.669 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.089 -6.098 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.028 -5.049 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.921 -5.399 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.214 -3.734 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.202 -4.519 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.478 -3.182 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.684 -4.481 0.275 1.00 0.00 H new ATOM 768 N ALA A 52 -5.961 -7.101 -3.794 1.00 0.00 N ATOM 769 CA ALA A 52 -5.313 -8.374 -4.099 1.00 0.00 C ATOM 770 C ALA A 52 -3.850 -8.174 -4.491 1.00 0.00 C ATOM 771 O ALA A 52 -3.377 -7.041 -4.601 1.00 0.00 O ATOM 772 CB ALA A 52 -6.061 -9.090 -5.213 1.00 0.00 C ATOM 0 H ALA A 52 -5.572 -6.300 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.339 -8.988 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.568 -10.038 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.088 -9.279 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.064 -8.468 -6.108 1.00 0.00 H new ATOM 778 N ALA A 53 -3.141 -9.282 -4.710 1.00 0.00 N ATOM 779 CA ALA A 53 -1.735 -9.228 -5.101 1.00 0.00 C ATOM 780 C ALA A 53 -1.591 -8.688 -6.521 1.00 0.00 C ATOM 781 O ALA A 53 -2.303 -9.117 -7.432 1.00 0.00 O ATOM 782 CB ALA A 53 -1.095 -10.605 -4.991 1.00 0.00 C ATOM 0 H ALA A 53 -3.518 -10.226 -4.623 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.219 -8.551 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.048 -10.544 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.162 -10.956 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.617 -11.302 -5.646 1.00 0.00 H new ATOM 788 N GLY A 54 -0.675 -7.741 -6.702 1.00 0.00 N ATOM 789 CA GLY A 54 -0.459 -7.151 -8.013 1.00 0.00 C ATOM 790 C GLY A 54 -1.209 -5.840 -8.192 1.00 0.00 C ATOM 791 O GLY A 54 -1.579 -5.480 -9.312 1.00 0.00 O ATOM 0 H GLY A 54 -0.077 -7.371 -5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.607 -6.979 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.776 -7.855 -8.782 1.00 0.00 H new ATOM 795 N ASP A 55 -1.429 -5.124 -7.088 1.00 0.00 N ATOM 796 CA ASP A 55 -2.133 -3.846 -7.128 1.00 0.00 C ATOM 797 C ASP A 55 -1.174 -2.691 -6.831 1.00 0.00 C ATOM 798 O ASP A 55 -0.006 -2.916 -6.508 1.00 0.00 O ATOM 799 CB ASP A 55 -3.292 -3.846 -6.127 1.00 0.00 C ATOM 800 CG ASP A 55 -4.582 -4.367 -6.733 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.795 -5.598 -6.709 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.380 -3.545 -7.232 1.00 0.00 O ATOM 0 H ASP A 55 -1.129 -5.410 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.537 -3.708 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.025 -4.459 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.450 -2.832 -5.759 1.00 0.00 H new ATOM 807 N GLN A 56 -1.670 -1.457 -6.947 1.00 0.00 N ATOM 808 CA GLN A 56 -0.852 -0.270 -6.697 1.00 0.00 C ATOM 809 C GLN A 56 -1.408 0.555 -5.534 1.00 0.00 C ATOM 810 O GLN A 56 -2.622 0.647 -5.354 1.00 0.00 O ATOM 811 CB GLN A 56 -0.783 0.592 -7.961 1.00 0.00 C ATOM 812 CG GLN A 56 0.303 1.659 -7.918 1.00 0.00 C ATOM 813 CD GLN A 56 -0.251 3.072 -7.959 1.00 0.00 C ATOM 814 OE1 GLN A 56 -1.389 3.298 -8.376 1.00 0.00 O ATOM 815 NE2 GLN A 56 0.554 4.036 -7.526 1.00 0.00 N ATOM 0 H GLN A 56 -2.634 -1.255 -7.212 1.00 0.00 H new ATOM 0 HA GLN A 56 0.150 -0.602 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.611 -0.054 -8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.748 1.075 -8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.893 1.532 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.979 1.515 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.489 3.807 -7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.237 5.006 -7.531 1.00 0.00 H new ATOM 824 N LEU A 57 -0.509 1.160 -4.752 1.00 0.00 N ATOM 825 CA LEU A 57 -0.908 1.982 -3.610 1.00 0.00 C ATOM 826 C LEU A 57 -0.555 3.452 -3.837 1.00 0.00 C ATOM 827 O LEU A 57 0.505 3.771 -4.379 1.00 0.00 O ATOM 828 CB LEU A 57 -0.238 1.477 -2.329 1.00 0.00 C ATOM 829 CG LEU A 57 -0.678 2.185 -1.043 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.847 1.184 0.090 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.324 3.264 -0.658 1.00 0.00 C ATOM 0 H LEU A 57 0.499 1.095 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.990 1.902 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.442 0.411 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.841 1.586 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.642 2.660 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.160 1.707 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.604 0.449 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.101 0.678 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.005 3.756 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.302 2.811 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.393 3.999 -1.460 1.00 0.00 H new ATOM 843 N LEU A 58 -1.453 4.340 -3.410 1.00 0.00 N ATOM 844 CA LEU A 58 -1.254 5.781 -3.554 1.00 0.00 C ATOM 845 C LEU A 58 -0.847 6.413 -2.223 1.00 0.00 C ATOM 846 O LEU A 58 0.215 7.031 -2.120 1.00 0.00 O ATOM 847 CB LEU A 58 -2.538 6.439 -4.071 1.00 0.00 C ATOM 848 CG LEU A 58 -2.335 7.602 -5.048 1.00 0.00 C ATOM 849 CD1 LEU A 58 -3.544 7.746 -5.960 1.00 0.00 C ATOM 850 CD2 LEU A 58 -2.080 8.899 -4.291 1.00 0.00 C ATOM 0 H LEU A 58 -2.331 4.083 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.450 5.943 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.144 5.677 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.110 6.801 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.461 7.387 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.384 8.576 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.683 6.826 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.432 7.939 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.938 9.713 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.934 9.121 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.185 8.793 -3.678 1.00 0.00 H new ATOM 862 N SER A 59 -1.700 6.260 -1.209 1.00 0.00 N ATOM 863 CA SER A 59 -1.429 6.823 0.112 1.00 0.00 C ATOM 864 C SER A 59 -1.765 5.829 1.223 1.00 0.00 C ATOM 865 O SER A 59 -2.572 4.916 1.034 1.00 0.00 O ATOM 866 CB SER A 59 -2.225 8.117 0.310 1.00 0.00 C ATOM 867 OG SER A 59 -1.664 9.180 -0.440 1.00 0.00 O ATOM 0 H SER A 59 -2.582 5.752 -1.278 1.00 0.00 H new ATOM 0 HA SER A 59 -0.363 7.043 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.260 7.961 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.239 8.381 1.367 1.00 0.00 H new ATOM 0 HG SER A 59 -2.191 9.994 -0.298 1.00 0.00 H new ATOM 873 N VAL A 60 -1.137 6.019 2.383 1.00 0.00 N ATOM 874 CA VAL A 60 -1.360 5.152 3.537 1.00 0.00 C ATOM 875 C VAL A 60 -1.682 5.981 4.773 1.00 0.00 C ATOM 876 O VAL A 60 -0.903 6.847 5.164 1.00 0.00 O ATOM 877 CB VAL A 60 -0.131 4.271 3.836 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.432 3.296 4.966 1.00 0.00 C ATOM 879 CG2 VAL A 60 0.315 3.531 2.583 1.00 0.00 C ATOM 0 H VAL A 60 -0.467 6.770 2.548 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.203 4.506 3.291 1.00 0.00 H new ATOM 0 HB VAL A 60 0.686 4.917 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.448 2.683 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.695 3.852 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.265 2.654 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.184 2.915 2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.496 2.896 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.578 4.252 1.809 1.00 0.00 H new ATOM 889 N ASP A 61 -2.837 5.714 5.379 1.00 0.00 N ATOM 890 CA ASP A 61 -3.267 6.442 6.572 1.00 0.00 C ATOM 891 C ASP A 61 -3.576 7.911 6.252 1.00 0.00 C ATOM 892 O ASP A 61 -3.747 8.721 7.164 1.00 0.00 O ATOM 893 CB ASP A 61 -2.192 6.364 7.664 1.00 0.00 C ATOM 894 CG ASP A 61 -2.767 6.504 9.060 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.433 5.556 9.527 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.549 7.562 9.689 1.00 0.00 O ATOM 0 H ASP A 61 -3.492 4.999 5.064 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.182 5.971 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.668 5.412 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.454 7.149 7.499 1.00 0.00 H new ATOM 901 N GLY A 62 -3.652 8.252 4.960 1.00 0.00 N ATOM 902 CA GLY A 62 -3.946 9.621 4.565 1.00 0.00 C ATOM 903 C GLY A 62 -2.703 10.444 4.249 1.00 0.00 C ATOM 904 O GLY A 62 -2.765 11.674 4.233 1.00 0.00 O ATOM 0 H GLY A 62 -3.515 7.604 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.595 9.606 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.502 10.110 5.365 1.00 0.00 H new ATOM 908 N ARG A 63 -1.574 9.777 3.988 1.00 0.00 N ATOM 909 CA ARG A 63 -0.333 10.482 3.665 1.00 0.00 C ATOM 910 C ARG A 63 0.248 9.996 2.340 1.00 0.00 C ATOM 911 O ARG A 63 0.183 8.808 2.020 1.00 0.00 O ATOM 912 CB ARG A 63 0.699 10.325 4.788 1.00 0.00 C ATOM 913 CG ARG A 63 1.187 8.897 5.000 1.00 0.00 C ATOM 914 CD ARG A 63 0.985 8.444 6.439 1.00 0.00 C ATOM 915 NE ARG A 63 1.877 9.139 7.369 1.00 0.00 N ATOM 916 CZ ARG A 63 1.766 9.073 8.697 1.00 0.00 C ATOM 917 NH1 ARG A 63 0.801 8.350 9.256 1.00 0.00 N ATOM 918 NH2 ARG A 63 2.617 9.739 9.470 1.00 0.00 N ATOM 0 H ARG A 63 -1.495 8.760 3.994 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.574 11.540 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.557 10.960 4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.263 10.689 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.652 8.226 4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.244 8.831 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.050 8.620 6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.157 7.370 6.507 1.00 0.00 H new ATOM 0 HE ARG A 63 2.628 9.708 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.140 7.841 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.722 8.304 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.356 10.301 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.531 9.688 10.485 1.00 0.00 H new ATOM 932 N SER A 64 0.814 10.928 1.576 1.00 0.00 N ATOM 933 CA SER A 64 1.408 10.611 0.278 1.00 0.00 C ATOM 934 C SER A 64 2.744 9.895 0.438 1.00 0.00 C ATOM 935 O SER A 64 3.627 10.363 1.159 1.00 0.00 O ATOM 936 CB SER A 64 1.602 11.887 -0.545 1.00 0.00 C ATOM 937 OG SER A 64 0.387 12.295 -1.148 1.00 0.00 O ATOM 0 H SER A 64 0.874 11.913 1.834 1.00 0.00 H new ATOM 0 HA SER A 64 0.722 9.944 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.978 12.684 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.354 11.716 -1.315 1.00 0.00 H new ATOM 0 HG SER A 64 0.538 13.113 -1.666 1.00 0.00 H new ATOM 943 N LEU A 65 2.887 8.760 -0.244 1.00 0.00 N ATOM 944 CA LEU A 65 4.121 7.979 -0.185 1.00 0.00 C ATOM 945 C LEU A 65 4.585 7.573 -1.585 1.00 0.00 C ATOM 946 O LEU A 65 5.197 6.517 -1.766 1.00 0.00 O ATOM 947 CB LEU A 65 3.919 6.735 0.684 1.00 0.00 C ATOM 948 CG LEU A 65 3.314 7.002 2.063 1.00 0.00 C ATOM 949 CD1 LEU A 65 2.276 5.946 2.403 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.403 7.050 3.126 1.00 0.00 C ATOM 0 H LEU A 65 2.164 8.361 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 65 4.895 8.604 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.274 6.038 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.882 6.242 0.816 1.00 0.00 H new ATOM 0 HG LEU A 65 2.819 7.973 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.856 6.152 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.480 5.965 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.746 4.962 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.953 7.241 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.930 6.096 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.107 7.847 2.889 1.00 0.00 H new ATOM 962 N VAL A 66 4.297 8.422 -2.572 1.00 0.00 N ATOM 963 CA VAL A 66 4.688 8.160 -3.951 1.00 0.00 C ATOM 964 C VAL A 66 5.885 9.029 -4.342 1.00 0.00 C ATOM 965 O VAL A 66 5.739 10.103 -4.931 1.00 0.00 O ATOM 966 CB VAL A 66 3.512 8.398 -4.926 1.00 0.00 C ATOM 967 CG1 VAL A 66 3.024 9.834 -4.832 1.00 0.00 C ATOM 968 CG2 VAL A 66 3.914 8.046 -6.353 1.00 0.00 C ATOM 0 H VAL A 66 3.793 9.298 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 66 4.975 7.111 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 66 2.689 7.743 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.196 9.983 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.687 10.038 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.838 10.512 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.071 8.221 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.755 8.669 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.203 6.996 -6.401 1.00 0.00 H new ATOM 978 N GLY A 67 7.068 8.551 -3.991 1.00 0.00 N ATOM 979 CA GLY A 67 8.293 9.275 -4.288 1.00 0.00 C ATOM 980 C GLY A 67 9.439 8.878 -3.375 1.00 0.00 C ATOM 981 O GLY A 67 10.604 8.947 -3.770 1.00 0.00 O ATOM 0 H GLY A 67 7.206 7.667 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.578 9.091 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.111 10.345 -4.193 1.00 0.00 H new ATOM 985 N LEU A 68 9.110 8.458 -2.151 1.00 0.00 N ATOM 986 CA LEU A 68 10.125 8.045 -1.182 1.00 0.00 C ATOM 987 C LEU A 68 10.437 6.557 -1.323 1.00 0.00 C ATOM 988 O LEU A 68 9.709 5.819 -1.989 1.00 0.00 O ATOM 989 CB LEU A 68 9.664 8.324 0.256 1.00 0.00 C ATOM 990 CG LEU A 68 8.795 9.570 0.456 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.796 9.341 1.582 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.662 10.784 0.750 1.00 0.00 C ATOM 0 H LEU A 68 8.151 8.395 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 68 11.024 8.626 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.108 7.457 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.548 8.417 0.887 1.00 0.00 H new ATOM 0 HG LEU A 68 8.243 9.760 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.185 10.234 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.154 8.496 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.332 9.129 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.027 11.659 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.240 10.607 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.341 10.957 -0.085 1.00 0.00 H new ATOM 1004 N SER A 69 11.515 6.117 -0.673 1.00 0.00 N ATOM 1005 CA SER A 69 11.909 4.712 -0.710 1.00 0.00 C ATOM 1006 C SER A 69 10.927 3.869 0.100 1.00 0.00 C ATOM 1007 O SER A 69 10.222 4.389 0.968 1.00 0.00 O ATOM 1008 CB SER A 69 13.328 4.529 -0.155 1.00 0.00 C ATOM 1009 OG SER A 69 14.157 5.632 -0.482 1.00 0.00 O ATOM 0 H SER A 69 12.128 6.713 -0.117 1.00 0.00 H new ATOM 0 HA SER A 69 11.896 4.382 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.285 4.413 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.762 3.614 -0.557 1.00 0.00 H new ATOM 0 HG SER A 69 15.054 5.488 -0.114 1.00 0.00 H new ATOM 1015 N GLN A 70 10.883 2.568 -0.182 1.00 0.00 N ATOM 1016 CA GLN A 70 9.984 1.661 0.531 1.00 0.00 C ATOM 1017 C GLN A 70 10.195 1.745 2.044 1.00 0.00 C ATOM 1018 O GLN A 70 9.270 1.507 2.816 1.00 0.00 O ATOM 1019 CB GLN A 70 10.186 0.216 0.067 1.00 0.00 C ATOM 1020 CG GLN A 70 9.043 -0.706 0.457 1.00 0.00 C ATOM 1021 CD GLN A 70 7.692 -0.145 0.062 1.00 0.00 C ATOM 1022 OE1 GLN A 70 7.046 0.557 0.839 1.00 0.00 O ATOM 1023 NE2 GLN A 70 7.257 -0.452 -1.154 1.00 0.00 N ATOM 0 H GLN A 70 11.457 2.119 -0.896 1.00 0.00 H new ATOM 0 HA GLN A 70 8.964 1.971 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.301 0.202 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.114 -0.168 0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.184 -1.677 -0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.064 -0.872 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.825 -1.037 -1.766 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.355 -0.102 -1.476 1.00 0.00 H new ATOM 1032 N GLU A 71 11.414 2.080 2.458 1.00 0.00 N ATOM 1033 CA GLU A 71 11.737 2.191 3.876 1.00 0.00 C ATOM 1034 C GLU A 71 10.879 3.257 4.561 1.00 0.00 C ATOM 1035 O GLU A 71 10.479 3.089 5.713 1.00 0.00 O ATOM 1036 CB GLU A 71 13.221 2.518 4.052 1.00 0.00 C ATOM 1037 CG GLU A 71 13.718 2.349 5.478 1.00 0.00 C ATOM 1038 CD GLU A 71 15.221 2.523 5.603 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.785 3.383 4.892 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.834 1.799 6.415 1.00 0.00 O ATOM 0 H GLU A 71 12.194 2.279 1.831 1.00 0.00 H new ATOM 0 HA GLU A 71 11.521 1.232 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.806 1.876 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.398 3.546 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.218 3.074 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.440 1.359 5.839 1.00 0.00 H new ATOM 1047 N ARG A 72 10.593 4.348 3.849 1.00 0.00 N ATOM 1048 CA ARG A 72 9.776 5.426 4.402 1.00 0.00 C ATOM 1049 C ARG A 72 8.293 5.058 4.368 1.00 0.00 C ATOM 1050 O ARG A 72 7.562 5.307 5.328 1.00 0.00 O ATOM 1051 CB ARG A 72 10.004 6.738 3.635 1.00 0.00 C ATOM 1052 CG ARG A 72 11.465 7.035 3.323 1.00 0.00 C ATOM 1053 CD ARG A 72 12.300 7.146 4.590 1.00 0.00 C ATOM 1054 NE ARG A 72 12.999 8.430 4.679 1.00 0.00 N ATOM 1055 CZ ARG A 72 14.058 8.653 5.462 1.00 0.00 C ATOM 1056 NH1 ARG A 72 14.542 7.686 6.235 1.00 0.00 N ATOM 1057 NH2 ARG A 72 14.632 9.851 5.476 1.00 0.00 N ATOM 0 H ARG A 72 10.913 4.507 2.894 1.00 0.00 H new ATOM 0 HA ARG A 72 10.079 5.570 5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.445 6.701 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.594 7.562 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.869 6.246 2.689 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.535 7.965 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.655 7.024 5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.028 6.335 4.616 1.00 0.00 H new ATOM 0 HE ARG A 72 12.656 9.202 4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.104 6.765 6.233 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.351 7.865 6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.264 10.600 4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.441 10.022 6.074 1.00 0.00 H new ATOM 1071 N ALA A 73 7.855 4.465 3.257 1.00 0.00 N ATOM 1072 CA ALA A 73 6.458 4.066 3.099 1.00 0.00 C ATOM 1073 C ALA A 73 6.118 2.852 3.963 1.00 0.00 C ATOM 1074 O ALA A 73 5.144 2.877 4.715 1.00 0.00 O ATOM 1075 CB ALA A 73 6.147 3.776 1.635 1.00 0.00 C ATOM 0 H ALA A 73 8.447 4.251 2.455 1.00 0.00 H new ATOM 0 HA ALA A 73 5.839 4.898 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.102 3.480 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.328 4.671 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.788 2.969 1.280 1.00 0.00 H new ATOM 1081 N ALA A 74 6.922 1.792 3.848 1.00 0.00 N ATOM 1082 CA ALA A 74 6.697 0.567 4.616 1.00 0.00 C ATOM 1083 C ALA A 74 6.735 0.836 6.118 1.00 0.00 C ATOM 1084 O ALA A 74 5.860 0.379 6.856 1.00 0.00 O ATOM 1085 CB ALA A 74 7.720 -0.499 4.239 1.00 0.00 C ATOM 0 H ALA A 74 7.733 1.758 3.231 1.00 0.00 H new ATOM 0 HA ALA A 74 5.702 0.199 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.536 -1.402 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.633 -0.728 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.724 -0.130 4.449 1.00 0.00 H new ATOM 1091 N GLU A 75 7.743 1.586 6.565 1.00 0.00 N ATOM 1092 CA GLU A 75 7.878 1.917 7.981 1.00 0.00 C ATOM 1093 C GLU A 75 6.624 2.629 8.488 1.00 0.00 C ATOM 1094 O GLU A 75 6.106 2.304 9.554 1.00 0.00 O ATOM 1095 CB GLU A 75 9.111 2.794 8.207 1.00 0.00 C ATOM 1096 CG GLU A 75 9.377 3.118 9.667 1.00 0.00 C ATOM 1097 CD GLU A 75 10.318 2.126 10.324 1.00 0.00 C ATOM 1098 OE1 GLU A 75 11.545 2.247 10.120 1.00 0.00 O ATOM 1099 OE2 GLU A 75 9.828 1.229 11.042 1.00 0.00 O ATOM 0 H GLU A 75 8.474 1.974 5.969 1.00 0.00 H new ATOM 0 HA GLU A 75 8.000 0.990 8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.984 2.290 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.988 3.726 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.801 4.119 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.432 3.131 10.210 1.00 0.00 H new ATOM 1106 N LEU A 76 6.138 3.597 7.710 1.00 0.00 N ATOM 1107 CA LEU A 76 4.941 4.346 8.081 1.00 0.00 C ATOM 1108 C LEU A 76 3.698 3.451 8.069 1.00 0.00 C ATOM 1109 O LEU A 76 2.783 3.644 8.870 1.00 0.00 O ATOM 1110 CB LEU A 76 4.736 5.533 7.134 1.00 0.00 C ATOM 1111 CG LEU A 76 5.519 6.801 7.491 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.352 7.853 6.403 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.064 7.345 8.839 1.00 0.00 C ATOM 0 H LEU A 76 6.554 3.879 6.822 1.00 0.00 H new ATOM 0 HA LEU A 76 5.086 4.718 9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.016 5.225 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.674 5.777 7.109 1.00 0.00 H new ATOM 0 HG LEU A 76 6.577 6.547 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.914 8.747 6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.725 7.461 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.297 8.105 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.630 8.245 9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.002 7.585 8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.234 6.594 9.611 1.00 0.00 H new ATOM 1125 N MET A 77 3.670 2.475 7.156 1.00 0.00 N ATOM 1126 CA MET A 77 2.534 1.557 7.046 1.00 0.00 C ATOM 1127 C MET A 77 2.335 0.769 8.340 1.00 0.00 C ATOM 1128 O MET A 77 1.263 0.818 8.941 1.00 0.00 O ATOM 1129 CB MET A 77 2.725 0.590 5.871 1.00 0.00 C ATOM 1130 CG MET A 77 2.862 1.274 4.518 1.00 0.00 C ATOM 1131 SD MET A 77 1.566 0.797 3.353 1.00 0.00 S ATOM 1132 CE MET A 77 1.638 -0.990 3.450 1.00 0.00 C ATOM 0 H MET A 77 4.418 2.301 6.485 1.00 0.00 H new ATOM 0 HA MET A 77 1.643 2.158 6.866 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.614 -0.014 6.052 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.877 -0.094 5.836 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.837 2.355 4.659 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.835 1.031 4.091 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.408 -1.417 2.474 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.638 -1.298 3.754 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.912 -1.344 4.181 1.00 0.00 H new ATOM 1142 N THR A 78 3.372 0.049 8.772 1.00 0.00 N ATOM 1143 CA THR A 78 3.292 -0.733 10.007 1.00 0.00 C ATOM 1144 C THR A 78 3.056 0.187 11.206 1.00 0.00 C ATOM 1145 O THR A 78 2.292 -0.144 12.114 1.00 0.00 O ATOM 1146 CB THR A 78 4.565 -1.573 10.209 1.00 0.00 C ATOM 1147 OG1 THR A 78 4.626 -2.093 11.528 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.857 -0.820 9.952 1.00 0.00 C ATOM 0 H THR A 78 4.269 -0.009 8.290 1.00 0.00 H new ATOM 0 HA THR A 78 2.448 -1.417 9.924 1.00 0.00 H new ATOM 0 HB THR A 78 4.486 -2.369 9.468 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.443 -2.625 11.633 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.705 -1.485 10.117 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.871 -0.463 8.922 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.925 0.029 10.632 1.00 0.00 H new ATOM 1156 N ARG A 79 3.715 1.343 11.194 1.00 0.00 N ATOM 1157 CA ARG A 79 3.586 2.323 12.270 1.00 0.00 C ATOM 1158 C ARG A 79 2.358 3.227 12.074 1.00 0.00 C ATOM 1159 O ARG A 79 2.467 4.456 12.118 1.00 0.00 O ATOM 1160 CB ARG A 79 4.861 3.170 12.351 1.00 0.00 C ATOM 1161 CG ARG A 79 5.571 3.076 13.689 1.00 0.00 C ATOM 1162 CD ARG A 79 5.620 4.424 14.392 1.00 0.00 C ATOM 1163 NE ARG A 79 6.656 5.298 13.840 1.00 0.00 N ATOM 1164 CZ ARG A 79 6.662 6.627 13.973 1.00 0.00 C ATOM 1165 NH1 ARG A 79 5.695 7.241 14.646 1.00 0.00 N ATOM 1166 NH2 ARG A 79 7.640 7.345 13.432 1.00 0.00 N ATOM 0 H ARG A 79 4.348 1.625 10.446 1.00 0.00 H new ATOM 0 HA ARG A 79 3.446 1.781 13.205 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.546 2.856 11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.607 4.212 12.156 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.059 2.352 14.323 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.585 2.706 13.538 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.650 4.913 14.304 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.805 4.271 15.455 1.00 0.00 H new ATOM 0 HE ARG A 79 7.421 4.866 13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.941 6.697 15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.707 8.256 14.743 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.387 6.881 12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.644 8.360 13.534 1.00 0.00 H new ATOM 1180 N THR A 80 1.190 2.617 11.866 1.00 0.00 N ATOM 1181 CA THR A 80 -0.049 3.375 11.677 1.00 0.00 C ATOM 1182 C THR A 80 -0.850 3.450 12.976 1.00 0.00 C ATOM 1183 O THR A 80 -0.473 2.853 13.986 1.00 0.00 O ATOM 1184 CB THR A 80 -0.912 2.733 10.586 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.787 1.321 10.605 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.565 3.211 9.194 1.00 0.00 C ATOM 0 H THR A 80 1.075 1.604 11.824 1.00 0.00 H new ATOM 0 HA THR A 80 0.226 4.385 11.373 1.00 0.00 H new ATOM 0 HB THR A 80 -1.934 3.036 10.812 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.166 1.038 9.902 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.212 2.718 8.468 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.707 4.290 9.134 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.475 2.970 8.975 1.00 0.00 H new ATOM 1194 N SER A 81 -1.968 4.175 12.936 1.00 0.00 N ATOM 1195 CA SER A 81 -2.836 4.317 14.102 1.00 0.00 C ATOM 1196 C SER A 81 -3.783 3.119 14.206 1.00 0.00 C ATOM 1197 O SER A 81 -3.662 2.156 13.444 1.00 0.00 O ATOM 1198 CB SER A 81 -3.637 5.627 14.018 1.00 0.00 C ATOM 1199 OG SER A 81 -3.732 6.090 12.681 1.00 0.00 O ATOM 0 H SER A 81 -2.293 4.673 12.107 1.00 0.00 H new ATOM 0 HA SER A 81 -2.214 4.349 14.997 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.637 5.470 14.422 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.159 6.388 14.635 1.00 0.00 H new ATOM 0 HG SER A 81 -4.248 6.923 12.659 1.00 0.00 H new ATOM 1205 N SER A 82 -4.725 3.179 15.148 1.00 0.00 N ATOM 1206 CA SER A 82 -5.692 2.095 15.341 1.00 0.00 C ATOM 1207 C SER A 82 -6.436 1.780 14.039 1.00 0.00 C ATOM 1208 O SER A 82 -6.792 0.628 13.782 1.00 0.00 O ATOM 1209 CB SER A 82 -6.694 2.464 16.440 1.00 0.00 C ATOM 1210 OG SER A 82 -7.319 1.307 16.972 1.00 0.00 O ATOM 0 H SER A 82 -4.840 3.964 15.789 1.00 0.00 H new ATOM 0 HA SER A 82 -5.141 1.205 15.644 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.182 3.003 17.237 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.451 3.136 16.035 1.00 0.00 H new ATOM 0 HG SER A 82 -7.952 1.570 17.672 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.669 2.810 13.222 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.369 2.641 11.950 1.00 0.00 C ATOM 1218 C VAL A 83 -6.401 2.747 10.772 1.00 0.00 C ATOM 1219 O VAL A 83 -5.447 3.527 10.810 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.494 3.688 11.785 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.320 3.403 10.538 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.384 3.721 13.020 1.00 0.00 C ATOM 0 H VAL A 83 -6.383 3.769 13.420 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.813 1.645 11.958 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.030 4.668 11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.106 4.153 10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.676 3.438 9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.770 2.414 10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.169 4.465 12.883 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.835 2.740 13.170 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.786 3.982 13.893 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.652 1.954 9.730 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.805 1.951 8.538 1.00 0.00 C ATOM 1234 C VAL A 84 -6.555 2.506 7.327 1.00 0.00 C ATOM 1235 O VAL A 84 -7.765 2.313 7.196 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.299 0.529 8.206 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.252 0.577 7.102 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.738 -0.150 9.448 1.00 0.00 C ATOM 0 H VAL A 84 -7.437 1.304 9.688 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.950 2.590 8.759 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.146 -0.059 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.908 -0.434 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.689 1.014 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.408 1.185 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.388 -1.149 9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.906 0.436 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.518 -0.223 10.206 1.00 0.00 H new ATOM 1248 N THR A 85 -5.826 3.196 6.446 1.00 0.00 N ATOM 1249 CA THR A 85 -6.422 3.784 5.244 1.00 0.00 C ATOM 1250 C THR A 85 -5.457 3.707 4.056 1.00 0.00 C ATOM 1251 O THR A 85 -4.778 4.683 3.731 1.00 0.00 O ATOM 1252 CB THR A 85 -6.818 5.244 5.506 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.172 5.442 6.864 1.00 0.00 O ATOM 1254 CG2 THR A 85 -7.985 5.707 4.661 1.00 0.00 C ATOM 0 H THR A 85 -4.824 3.361 6.542 1.00 0.00 H new ATOM 0 HA THR A 85 -7.316 3.211 4.996 1.00 0.00 H new ATOM 0 HB THR A 85 -5.936 5.828 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.418 6.380 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.214 6.747 4.895 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.727 5.621 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.856 5.087 4.873 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.403 2.543 3.408 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.520 2.345 2.257 1.00 0.00 C ATOM 1264 C LEU A 86 -5.262 2.591 0.943 1.00 0.00 C ATOM 1265 O LEU A 86 -6.163 1.833 0.579 1.00 0.00 O ATOM 1266 CB LEU A 86 -3.938 0.928 2.260 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.338 0.468 3.593 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.956 -0.854 4.027 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -1.824 0.344 3.485 1.00 0.00 C ATOM 0 H LEU A 86 -5.958 1.725 3.659 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.707 3.067 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.725 0.230 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.165 0.869 1.493 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.565 1.218 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.519 -1.166 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.032 -0.730 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.760 -1.613 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.417 0.016 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.573 -0.385 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.398 1.312 3.221 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.869 3.650 0.233 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.488 3.997 -1.047 1.00 0.00 C ATOM 1283 C GLU A 87 -4.905 3.146 -2.175 1.00 0.00 C ATOM 1284 O GLU A 87 -3.896 3.509 -2.782 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.283 5.485 -1.355 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.544 6.198 -1.822 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.766 7.516 -1.103 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.879 8.392 -1.180 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.827 7.671 -0.463 1.00 0.00 O ATOM 0 H GLU A 87 -4.124 4.283 0.524 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.557 3.796 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.906 5.982 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.516 5.585 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.479 6.379 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.405 5.550 -1.660 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.547 2.014 -2.448 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.096 1.110 -3.500 1.00 0.00 C ATOM 1298 C VAL A 88 -5.879 1.334 -4.798 1.00 0.00 C ATOM 1299 O VAL A 88 -7.102 1.483 -4.781 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.223 -0.367 -3.061 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -6.675 -0.732 -2.789 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -4.616 -1.294 -4.104 1.00 0.00 C ATOM 0 H VAL A 88 -6.383 1.701 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.045 1.331 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.667 -0.492 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.736 -1.776 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.067 -0.097 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.263 -0.585 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.717 -2.328 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.136 -1.164 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.560 -1.055 -4.233 1.00 0.00 H new ATOM 1312 N ALA A 89 -5.160 1.358 -5.919 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.775 1.564 -7.227 1.00 0.00 C ATOM 1314 C ALA A 89 -6.005 0.239 -7.950 1.00 0.00 C ATOM 1315 O ALA A 89 -5.207 -0.692 -7.826 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.906 2.479 -8.078 1.00 0.00 C ATOM 0 H ALA A 89 -4.148 1.237 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.746 2.034 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.375 2.625 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.796 3.442 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.924 2.026 -8.213 1.00 0.00 H new ATOM 1322 N LYS A 90 -7.096 0.167 -8.714 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.430 -1.040 -9.469 1.00 0.00 C ATOM 1324 C LYS A 90 -6.979 -0.915 -10.923 1.00 0.00 C ATOM 1325 O LYS A 90 -7.383 0.012 -11.628 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.936 -1.308 -9.415 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.292 -2.788 -9.384 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.943 -3.178 -8.067 1.00 0.00 C ATOM 1329 CE LYS A 90 -8.943 -3.820 -7.117 1.00 0.00 C ATOM 1330 NZ LYS A 90 -8.861 -5.297 -7.299 1.00 0.00 N ATOM 0 H LYS A 90 -7.763 0.931 -8.826 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.904 -1.877 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.351 -0.825 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.410 -0.847 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.968 -3.018 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.391 -3.383 -9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.375 -2.294 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.762 -3.871 -8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.958 -3.381 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.227 -3.598 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.168 -5.691 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.794 -5.721 -7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.564 -5.511 -8.273 1.00 0.00 H new ATOM 1344 N GLN A 91 -6.143 -1.855 -11.363 1.00 0.00 N ATOM 1345 CA GLN A 91 -5.633 -1.857 -12.733 1.00 0.00 C ATOM 1346 C GLN A 91 -5.037 -3.221 -13.093 1.00 0.00 C ATOM 1347 O GLN A 91 -5.112 -4.166 -12.304 1.00 0.00 O ATOM 1348 CB GLN A 91 -4.581 -0.752 -12.906 1.00 0.00 C ATOM 1349 CG GLN A 91 -3.279 -1.016 -12.162 1.00 0.00 C ATOM 1350 CD GLN A 91 -3.438 -0.947 -10.654 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -3.535 0.136 -10.079 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -3.469 -2.107 -10.007 1.00 0.00 N ATOM 0 H GLN A 91 -5.804 -2.627 -10.788 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.465 -1.662 -13.409 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.364 -0.634 -13.968 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.001 0.193 -12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.901 -2.001 -12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.532 -0.288 -12.478 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.385 -2.982 -10.524 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.577 -2.123 -8.993 1.00 0.00 H new ATOM 1361 N GLY A 92 -4.443 -3.317 -14.284 1.00 0.00 N ATOM 1362 CA GLY A 92 -3.842 -4.563 -14.719 1.00 0.00 C ATOM 1363 C GLY A 92 -3.693 -4.644 -16.226 1.00 0.00 C ATOM 1364 O GLY A 92 -4.582 -4.230 -16.972 1.00 0.00 O ATOM 0 H GLY A 92 -4.369 -2.551 -14.953 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.862 -4.671 -14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.453 -5.397 -14.373 1.00 0.00 H new ATOM 1368 N ALA A 93 -2.563 -5.185 -16.667 1.00 0.00 N ATOM 1369 CA ALA A 93 -2.282 -5.336 -18.094 1.00 0.00 C ATOM 1370 C ALA A 93 -2.973 -6.571 -18.671 1.00 0.00 C ATOM 1371 O ALA A 93 -3.288 -7.496 -17.892 1.00 0.00 O ATOM 1372 CB ALA A 93 -0.780 -5.410 -18.336 1.00 0.00 C ATOM 1373 OXT ALA A 93 -3.192 -6.602 -19.901 1.00 0.00 O ATOM 0 H ALA A 93 -1.822 -5.528 -16.056 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.680 -4.459 -18.605 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.589 -5.522 -19.403 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.308 -4.495 -17.977 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.367 -6.265 -17.801 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 13.118 0.226 -1.766 1.00 0.00 N ATOM 1381 CA LEU B 99 12.978 -0.652 -2.960 1.00 0.00 C ATOM 1382 C LEU B 99 13.194 -2.126 -2.596 1.00 0.00 C ATOM 1383 O LEU B 99 14.038 -2.807 -3.181 1.00 0.00 O ATOM 1384 CB LEU B 99 13.991 -0.193 -4.024 1.00 0.00 C ATOM 1385 CG LEU B 99 15.409 0.084 -3.510 1.00 0.00 C ATOM 1386 CD1 LEU B 99 16.441 -0.228 -4.585 1.00 0.00 C ATOM 1387 CD2 LEU B 99 15.542 1.530 -3.049 1.00 0.00 C ATOM 0 HA LEU B 99 11.965 -0.569 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU B 99 14.047 -0.956 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU B 99 13.611 0.713 -4.495 1.00 0.00 H new ATOM 0 HG LEU B 99 15.593 -0.568 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU B 99 17.440 -0.025 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.367 -1.279 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.255 0.396 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU B 99 16.556 1.705 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.333 2.199 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU B 99 14.832 1.722 -2.244 1.00 0.00 H new ATOM 1401 N PHE B 100 12.418 -2.609 -1.621 1.00 0.00 N ATOM 1402 CA PHE B 100 12.512 -3.997 -1.168 1.00 0.00 C ATOM 1403 C PHE B 100 11.121 -4.579 -0.901 1.00 0.00 C ATOM 1404 O PHE B 100 10.112 -3.882 -1.026 1.00 0.00 O ATOM 1405 CB PHE B 100 13.368 -4.084 0.103 1.00 0.00 C ATOM 1406 CG PHE B 100 14.443 -5.137 0.042 1.00 0.00 C ATOM 1407 CD1 PHE B 100 15.609 -4.915 -0.674 1.00 0.00 C ATOM 1408 CD2 PHE B 100 14.288 -6.347 0.701 1.00 0.00 C ATOM 1409 CE1 PHE B 100 16.599 -5.879 -0.732 1.00 0.00 C ATOM 1410 CE2 PHE B 100 15.275 -7.314 0.647 1.00 0.00 C ATOM 1411 CZ PHE B 100 16.431 -7.080 -0.071 1.00 0.00 C ATOM 0 H PHE B 100 11.716 -2.056 -1.130 1.00 0.00 H new ATOM 0 HA PHE B 100 12.985 -4.581 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE B 100 13.832 -3.115 0.284 1.00 0.00 H new ATOM 0 HB3 PHE B 100 12.718 -4.290 0.954 1.00 0.00 H new ATOM 0 HD1 PHE B 100 15.746 -3.978 -1.193 1.00 0.00 H new ATOM 0 HD2 PHE B 100 13.386 -6.537 1.263 1.00 0.00 H new ATOM 0 HE1 PHE B 100 17.503 -5.693 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE B 100 15.142 -8.252 1.166 1.00 0.00 H new ATOM 0 HZ PHE B 100 17.202 -7.835 -0.116 1.00 0.00 H new ATOM 1421 N SER B 101 11.079 -5.859 -0.527 1.00 0.00 N ATOM 1422 CA SER B 101 9.819 -6.540 -0.234 1.00 0.00 C ATOM 1423 C SER B 101 9.622 -6.673 1.276 1.00 0.00 C ATOM 1424 O SER B 101 10.263 -7.506 1.918 1.00 0.00 O ATOM 1425 CB SER B 101 9.801 -7.927 -0.892 1.00 0.00 C ATOM 1426 OG SER B 101 8.620 -8.644 -0.562 1.00 0.00 O ATOM 0 H SER B 101 11.907 -6.446 -0.420 1.00 0.00 H new ATOM 0 HA SER B 101 9.001 -5.945 -0.641 1.00 0.00 H new ATOM 0 HB2 SER B 101 9.872 -7.818 -1.974 1.00 0.00 H new ATOM 0 HB3 SER B 101 10.674 -8.495 -0.571 1.00 0.00 H new ATOM 0 HG SER B 101 8.791 -9.216 0.215 1.00 0.00 H new ATOM 1432 N THR B 102 8.740 -5.848 1.840 1.00 0.00 N ATOM 1433 CA THR B 102 8.475 -5.883 3.278 1.00 0.00 C ATOM 1434 C THR B 102 7.421 -6.946 3.610 1.00 0.00 C ATOM 1435 O THR B 102 7.319 -7.957 2.911 1.00 0.00 O ATOM 1436 CB THR B 102 8.047 -4.495 3.774 1.00 0.00 C ATOM 1437 OG1 THR B 102 6.723 -4.200 3.365 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.945 -3.376 3.278 1.00 0.00 C ATOM 0 H THR B 102 8.200 -5.151 1.327 1.00 0.00 H new ATOM 0 HA THR B 102 9.393 -6.158 3.797 1.00 0.00 H new ATOM 0 HB THR B 102 8.121 -4.542 4.860 1.00 0.00 H new ATOM 0 HG1 THR B 102 6.502 -4.726 2.569 1.00 0.00 H new ATOM 0 HG21 THR B 102 8.586 -2.423 3.666 1.00 0.00 H new ATOM 0 HG22 THR B 102 9.964 -3.547 3.623 1.00 0.00 H new ATOM 0 HG23 THR B 102 8.930 -3.353 2.188 1.00 0.00 H new ATOM 1446 N GLU B 103 6.636 -6.721 4.668 1.00 0.00 N ATOM 1447 CA GLU B 103 5.599 -7.664 5.071 1.00 0.00 C ATOM 1448 C GLU B 103 4.738 -7.032 6.150 1.00 0.00 C ATOM 1449 O GLU B 103 4.472 -7.621 7.199 1.00 0.00 O ATOM 1450 CB GLU B 103 6.208 -8.981 5.563 1.00 0.00 C ATOM 1451 CG GLU B 103 7.122 -8.835 6.774 1.00 0.00 C ATOM 1452 CD GLU B 103 7.484 -10.173 7.391 1.00 0.00 C ATOM 1453 OE1 GLU B 103 7.743 -11.130 6.630 1.00 0.00 O ATOM 1454 OE2 GLU B 103 7.508 -10.265 8.637 1.00 0.00 O ATOM 0 H GLU B 103 6.702 -5.892 5.259 1.00 0.00 H new ATOM 0 HA GLU B 103 4.979 -7.897 4.205 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.401 -9.670 5.812 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.773 -9.433 4.748 1.00 0.00 H new ATOM 0 HG2 GLU B 103 8.034 -8.317 6.477 1.00 0.00 H new ATOM 0 HG3 GLU B 103 6.631 -8.214 7.523 1.00 0.00 H new ATOM 1461 N VAL B 104 4.329 -5.807 5.873 1.00 0.00 N ATOM 1462 CA VAL B 104 3.518 -5.033 6.786 1.00 0.00 C ATOM 1463 C VAL B 104 2.215 -5.750 7.150 1.00 0.00 C ATOM 1464 O VAL B 104 1.694 -5.499 8.256 1.00 0.00 O ATOM 1465 CB VAL B 104 3.206 -3.657 6.176 1.00 0.00 C ATOM 1466 CG1 VAL B 104 4.486 -2.919 5.813 1.00 0.00 C ATOM 1467 CG2 VAL B 104 2.303 -3.794 4.956 1.00 0.00 C ATOM 1468 OXT VAL B 104 1.731 -6.561 6.329 1.00 0.00 O ATOM 0 H VAL B 104 4.553 -5.322 5.004 1.00 0.00 H new ATOM 0 HA VAL B 104 4.091 -4.907 7.705 1.00 0.00 H new ATOM 0 HB VAL B 104 2.677 -3.072 6.928 1.00 0.00 H new ATOM 0 HG11 VAL B 104 4.237 -1.949 5.383 1.00 0.00 H new ATOM 0 HG12 VAL B 104 5.090 -2.775 6.709 1.00 0.00 H new ATOM 0 HG13 VAL B 104 5.049 -3.504 5.086 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.097 -2.807 4.543 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.799 -4.406 4.203 1.00 0.00 H new ATOM 0 HG23 VAL B 104 1.366 -4.268 5.248 1.00 0.00 H new TER 1478 VAL B 104