USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 46 SER OG : rot 180:sc= -0.159 USER MOD Set 1.2: A 48 MET CE :methyl -174:sc= -2.48 (180deg=-2.39!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 167:sc= -8.35! (180deg=-8.65!) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0.074 USER MOD Set 3.1: A 34 ASN : amide:sc= -5.66! C(o=-6.1!,f=-8.6!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.441 K(o=-6.1,f=-7.5) USER MOD Set 4.1: A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -5.93! (180deg=-7.27!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -18.8! C(o=-19!,f=-12!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -25! C(o=-25!,f=-31!) USER MOD Single : A 20 THR OG1 : rot 98:sc= -0.344! USER MOD Single : A 27 SER OG : rot -59:sc= -2.51! USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 1.12 (180deg=0.294) USER MOD Single : A 30 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.8!) USER MOD Single : A 31 SER OG : rot -112:sc= -4.51! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -15:sc= 0.721! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -166:sc= -3.43! (180deg=-4.29!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -160:sc= 0.083 USER MOD Single : A 62 THR OG1 : rot 136:sc= -9.45! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 74 MET CE :methyl -116:sc= -4.49! (180deg=-7.74!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -11.3! C(o=-11!,f=-7.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.332 -11.912 -7.584 1.00 1.00 N ATOM 2 CA MET A 1 -0.800 -11.795 -8.931 1.00 1.00 C ATOM 3 C MET A 1 -1.415 -10.599 -9.661 1.00 1.00 C ATOM 4 O MET A 1 -1.316 -10.495 -10.883 1.00 1.00 O ATOM 5 CB MET A 1 -1.097 -13.077 -9.710 1.00 1.00 C ATOM 6 CG MET A 1 -0.086 -14.173 -9.368 1.00 1.00 C ATOM 7 SD MET A 1 0.213 -15.198 -10.799 1.00 1.00 S ATOM 8 CE MET A 1 0.245 -16.807 -10.027 1.00 1.00 C ATOM 0 H1 MET A 1 -0.704 -12.514 -7.014 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.393 -10.968 -7.152 1.00 1.00 H new ATOM 0 H3 MET A 1 -2.280 -12.338 -7.621 1.00 1.00 H new ATOM 0 HA MET A 1 0.277 -11.641 -8.865 1.00 1.00 H new ATOM 0 HB2 MET A 1 -2.105 -13.422 -9.479 1.00 1.00 H new ATOM 0 HB3 MET A 1 -1.068 -12.872 -10.780 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.848 -13.725 -9.030 1.00 1.00 H new ATOM 0 HG3 MET A 1 -0.462 -14.782 -8.546 1.00 1.00 H new ATOM 0 HE1 MET A 1 0.423 -17.570 -10.784 1.00 1.00 H new ATOM 0 HE2 MET A 1 1.043 -16.839 -9.285 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.711 -16.996 -9.539 1.00 1.00 H new ATOM 18 N GLU A 2 -2.037 -9.726 -8.882 1.00 1.00 N ATOM 19 CA GLU A 2 -2.668 -8.542 -9.439 1.00 1.00 C ATOM 20 C GLU A 2 -2.243 -7.297 -8.658 1.00 1.00 C ATOM 21 O GLU A 2 -1.952 -7.377 -7.466 1.00 1.00 O ATOM 22 CB GLU A 2 -4.191 -8.687 -9.453 1.00 1.00 C ATOM 23 CG GLU A 2 -4.601 -10.134 -9.733 1.00 1.00 C ATOM 24 CD GLU A 2 -6.055 -10.210 -10.205 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.551 -9.169 -10.686 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.637 -11.309 -10.073 1.00 1.00 O ATOM 0 H GLU A 2 -2.117 -9.815 -7.869 1.00 1.00 H new ATOM 0 HA GLU A 2 -2.337 -8.430 -10.472 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.599 -8.369 -8.494 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.615 -8.031 -10.213 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.946 -10.561 -10.492 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.476 -10.732 -8.831 1.00 1.00 H new ATOM 33 N LYS A 3 -2.220 -6.175 -9.363 1.00 1.00 N ATOM 34 CA LYS A 3 -1.835 -4.914 -8.751 1.00 1.00 C ATOM 35 C LYS A 3 -3.019 -3.946 -8.800 1.00 1.00 C ATOM 36 O LYS A 3 -3.940 -4.127 -9.595 1.00 1.00 O ATOM 37 CB LYS A 3 -0.565 -4.367 -9.404 1.00 1.00 C ATOM 38 CG LYS A 3 -0.858 -3.081 -10.181 1.00 1.00 C ATOM 39 CD LYS A 3 0.235 -2.805 -11.215 1.00 1.00 C ATOM 40 CE LYS A 3 0.247 -3.881 -12.302 1.00 1.00 C ATOM 41 NZ LYS A 3 0.774 -3.332 -13.571 1.00 1.00 N ATOM 0 H LYS A 3 -2.462 -6.113 -10.352 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.586 -5.061 -7.700 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.186 -4.171 -8.639 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.146 -5.115 -10.077 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.823 -3.165 -10.680 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.929 -2.242 -9.489 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.073 -1.827 -11.668 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.206 -2.771 -10.722 1.00 1.00 H new ATOM 0 HE2 LYS A 3 0.860 -4.723 -11.981 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.763 -4.262 -12.456 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.775 -4.076 -14.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.173 -2.543 -13.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.745 -2.990 -13.425 1.00 1.00 H new ATOM 55 N LYS A 4 -2.955 -2.939 -7.941 1.00 1.00 N ATOM 56 CA LYS A 4 -4.010 -1.942 -7.877 1.00 1.00 C ATOM 57 C LYS A 4 -3.398 -0.578 -7.555 1.00 1.00 C ATOM 58 O LYS A 4 -2.851 -0.379 -6.471 1.00 1.00 O ATOM 59 CB LYS A 4 -5.098 -2.376 -6.893 1.00 1.00 C ATOM 60 CG LYS A 4 -6.334 -1.482 -7.013 1.00 1.00 C ATOM 61 CD LYS A 4 -7.063 -1.728 -8.335 1.00 1.00 C ATOM 62 CE LYS A 4 -8.225 -0.748 -8.512 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.803 -0.870 -9.868 1.00 1.00 N ATOM 0 H LYS A 4 -2.189 -2.792 -7.284 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.505 -1.849 -8.843 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.375 -3.413 -7.085 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.711 -2.333 -5.875 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -7.009 -1.676 -6.180 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.038 -0.435 -6.946 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.364 -1.622 -9.165 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.438 -2.751 -8.362 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.993 -0.946 -7.764 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.876 0.272 -8.349 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.590 -0.198 -9.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.072 -0.659 -10.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.154 -1.839 -10.010 1.00 1.00 H new ATOM 77 N GLU A 5 -3.509 0.327 -8.516 1.00 1.00 N ATOM 78 CA GLU A 5 -2.973 1.667 -8.348 1.00 1.00 C ATOM 79 C GLU A 5 -4.011 2.575 -7.684 1.00 1.00 C ATOM 80 O GLU A 5 -5.212 2.400 -7.883 1.00 1.00 O ATOM 81 CB GLU A 5 -2.515 2.247 -9.688 1.00 1.00 C ATOM 82 CG GLU A 5 -1.619 1.257 -10.435 1.00 1.00 C ATOM 83 CD GLU A 5 -2.376 0.591 -11.586 1.00 1.00 C ATOM 84 OE1 GLU A 5 -2.896 1.347 -12.436 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.419 -0.658 -11.589 1.00 1.00 O ATOM 0 H GLU A 5 -3.962 0.159 -9.414 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.100 1.609 -7.697 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.384 2.490 -10.300 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -1.974 3.178 -9.520 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.743 1.776 -10.824 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.258 0.495 -9.744 1.00 1.00 H new ATOM 92 N PHE A 6 -3.509 3.525 -6.909 1.00 1.00 N ATOM 93 CA PHE A 6 -4.378 4.460 -6.215 1.00 1.00 C ATOM 94 C PHE A 6 -3.714 5.833 -6.085 1.00 1.00 C ATOM 95 O PHE A 6 -2.597 6.033 -6.560 1.00 1.00 O ATOM 96 CB PHE A 6 -4.622 3.891 -4.816 1.00 1.00 C ATOM 97 CG PHE A 6 -5.164 2.460 -4.813 1.00 1.00 C ATOM 98 CD1 PHE A 6 -4.306 1.407 -4.890 1.00 1.00 C ATOM 99 CD2 PHE A 6 -6.504 2.240 -4.732 1.00 1.00 C ATOM 100 CE1 PHE A 6 -4.809 0.080 -4.887 1.00 1.00 C ATOM 101 CE2 PHE A 6 -7.007 0.913 -4.729 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.149 -0.140 -4.807 1.00 1.00 C ATOM 0 H PHE A 6 -2.512 3.667 -6.746 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.307 4.586 -6.771 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.687 3.916 -4.257 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.325 4.536 -4.290 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.242 1.581 -4.953 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -7.185 3.076 -4.670 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.128 -0.756 -4.948 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -8.071 0.739 -4.665 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.532 -1.150 -4.805 1.00 1.00 H new ATOM 112 N HIS A 7 -4.429 6.742 -5.439 1.00 1.00 N ATOM 113 CA HIS A 7 -3.923 8.089 -5.240 1.00 1.00 C ATOM 114 C HIS A 7 -4.397 8.621 -3.886 1.00 1.00 C ATOM 115 O HIS A 7 -5.574 8.511 -3.550 1.00 1.00 O ATOM 116 CB HIS A 7 -4.321 8.997 -6.406 1.00 1.00 C ATOM 117 CG HIS A 7 -4.633 10.417 -6.000 1.00 1.00 C ATOM 118 ND1 HIS A 7 -3.997 11.513 -6.557 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.519 10.909 -5.088 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.485 12.610 -5.997 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.429 12.234 -5.087 1.00 1.00 N ATOM 0 H HIS A 7 -5.355 6.572 -5.047 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.833 8.073 -5.224 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.512 9.008 -7.137 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.193 8.572 -6.903 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -6.182 10.321 -4.471 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.188 13.624 -6.222 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -5.976 12.866 -4.502 1.00 1.00 H new ATOM 129 N ILE A 8 -3.454 9.187 -3.146 1.00 1.00 N ATOM 130 CA ILE A 8 -3.761 9.737 -1.837 1.00 1.00 C ATOM 131 C ILE A 8 -4.796 10.854 -1.986 1.00 1.00 C ATOM 132 O ILE A 8 -4.609 11.776 -2.779 1.00 1.00 O ATOM 133 CB ILE A 8 -2.479 10.177 -1.127 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.485 9.019 -1.021 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.792 10.792 0.239 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.215 7.680 -0.891 1.00 1.00 C ATOM 0 H ILE A 8 -2.478 9.276 -3.428 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.206 8.974 -1.199 1.00 1.00 H new ATOM 0 HB ILE A 8 -2.005 10.953 -1.728 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.844 9.004 -1.902 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.837 9.169 -0.158 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.864 11.096 0.722 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.435 11.662 0.107 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.301 10.056 0.861 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.485 6.874 -0.817 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.837 7.690 0.004 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.844 7.522 -1.767 1.00 1.00 H new ATOM 148 N VAL A 9 -5.865 10.734 -1.212 1.00 1.00 N ATOM 149 CA VAL A 9 -6.929 11.722 -1.249 1.00 1.00 C ATOM 150 C VAL A 9 -7.176 12.252 0.165 1.00 1.00 C ATOM 151 O VAL A 9 -8.138 12.982 0.399 1.00 1.00 O ATOM 152 CB VAL A 9 -8.182 11.118 -1.888 1.00 1.00 C ATOM 153 CG1 VAL A 9 -8.000 10.951 -3.398 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.546 9.787 -1.229 1.00 1.00 C ATOM 0 H VAL A 9 -6.017 9.968 -0.556 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.641 12.571 -1.869 1.00 1.00 H new ATOM 0 HB VAL A 9 -9.009 11.809 -1.724 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.904 10.520 -3.828 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.811 11.924 -3.851 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.155 10.290 -3.592 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.440 9.379 -1.702 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.721 9.085 -1.347 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.738 9.947 -0.168 1.00 1.00 H new ATOM 164 N ALA A 10 -6.290 11.864 1.071 1.00 1.00 N ATOM 165 CA ALA A 10 -6.400 12.291 2.455 1.00 1.00 C ATOM 166 C ALA A 10 -5.566 13.557 2.661 1.00 1.00 C ATOM 167 O ALA A 10 -5.691 14.228 3.685 1.00 1.00 O ATOM 168 CB ALA A 10 -5.966 11.151 3.377 1.00 1.00 C ATOM 0 H ALA A 10 -5.493 11.259 0.873 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.434 12.533 2.701 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -6.049 11.471 4.416 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.608 10.285 3.212 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.932 10.882 3.161 1.00 1.00 H new ATOM 174 N GLU A 11 -4.732 13.846 1.672 1.00 1.00 N ATOM 175 CA GLU A 11 -3.878 15.020 1.733 1.00 1.00 C ATOM 176 C GLU A 11 -3.196 15.110 3.099 1.00 1.00 C ATOM 177 O GLU A 11 -2.672 16.160 3.467 1.00 1.00 O ATOM 178 CB GLU A 11 -4.672 16.292 1.431 1.00 1.00 C ATOM 179 CG GLU A 11 -5.670 16.594 2.550 1.00 1.00 C ATOM 180 CD GLU A 11 -6.203 18.024 2.438 1.00 1.00 C ATOM 181 OE1 GLU A 11 -5.542 18.922 3.004 1.00 1.00 O ATOM 182 OE2 GLU A 11 -7.259 18.187 1.790 1.00 1.00 O ATOM 0 H GLU A 11 -4.630 13.288 0.825 1.00 1.00 H new ATOM 0 HA GLU A 11 -3.106 14.924 0.969 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.988 17.132 1.312 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.203 16.178 0.486 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.499 15.888 2.503 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.189 16.456 3.518 1.00 1.00 H new ATOM 189 N THR A 12 -3.225 13.995 3.814 1.00 1.00 N ATOM 190 CA THR A 12 -2.616 13.936 5.132 1.00 1.00 C ATOM 191 C THR A 12 -1.092 14.010 5.020 1.00 1.00 C ATOM 192 O THR A 12 -0.499 15.062 5.255 1.00 1.00 O ATOM 193 CB THR A 12 -3.113 12.665 5.826 1.00 1.00 C ATOM 194 OG1 THR A 12 -4.042 13.140 6.796 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.021 11.986 6.655 1.00 1.00 C ATOM 0 H THR A 12 -3.660 13.126 3.506 1.00 1.00 H new ATOM 0 HA THR A 12 -2.908 14.792 5.741 1.00 1.00 H new ATOM 0 HB THR A 12 -3.488 11.966 5.079 1.00 1.00 H new ATOM 0 HG1 THR A 12 -4.415 12.381 7.291 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.426 11.090 7.126 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.190 11.711 6.006 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.669 12.673 7.425 1.00 1.00 H new ATOM 203 N GLY A 13 -0.501 12.880 4.660 1.00 1.00 N ATOM 204 CA GLY A 13 0.942 12.804 4.513 1.00 1.00 C ATOM 205 C GLY A 13 1.440 11.372 4.721 1.00 1.00 C ATOM 206 O GLY A 13 2.636 11.147 4.900 1.00 1.00 O ATOM 0 H GLY A 13 -0.996 12.009 4.466 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.229 13.152 3.521 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.420 13.467 5.234 1.00 1.00 H new ATOM 210 N ILE A 14 0.497 10.442 4.691 1.00 1.00 N ATOM 211 CA ILE A 14 0.825 9.038 4.874 1.00 1.00 C ATOM 212 C ILE A 14 1.905 8.907 5.950 1.00 1.00 C ATOM 213 O ILE A 14 3.041 8.541 5.652 1.00 1.00 O ATOM 214 CB ILE A 14 1.206 8.398 3.538 1.00 1.00 C ATOM 215 CG1 ILE A 14 -0.030 8.176 2.664 1.00 1.00 C ATOM 216 CG2 ILE A 14 1.995 7.105 3.755 1.00 1.00 C ATOM 217 CD1 ILE A 14 -1.107 9.222 2.961 1.00 1.00 C ATOM 0 H ILE A 14 -0.494 10.633 4.543 1.00 1.00 H new ATOM 0 HA ILE A 14 -0.046 8.486 5.228 1.00 1.00 H new ATOM 0 HB ILE A 14 1.859 9.087 3.003 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.250 8.226 1.612 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.430 7.177 2.840 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.253 6.670 2.790 1.00 1.00 H new ATOM 0 HG22 ILE A 14 2.907 7.324 4.310 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.387 6.398 4.320 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.975 9.041 2.326 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.403 9.153 4.008 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.712 10.218 2.761 1.00 1.00 H new ATOM 229 N HIS A 15 1.513 9.213 7.178 1.00 1.00 N ATOM 230 CA HIS A 15 2.434 9.134 8.299 1.00 1.00 C ATOM 231 C HIS A 15 2.215 7.821 9.052 1.00 1.00 C ATOM 232 O HIS A 15 1.363 7.019 8.673 1.00 1.00 O ATOM 233 CB HIS A 15 2.300 10.364 9.200 1.00 1.00 C ATOM 234 CG HIS A 15 0.888 10.883 9.324 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.011 10.396 10.257 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.229 11.851 8.623 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.155 11.049 10.115 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.005 11.949 9.102 1.00 1.00 N ATOM 0 H HIS A 15 0.570 9.516 7.421 1.00 1.00 H new ATOM 0 HA HIS A 15 3.460 9.135 7.932 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.674 10.116 10.194 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.935 11.159 8.809 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.642 12.438 7.816 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.050 10.895 10.700 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.723 12.592 8.767 1.00 1.00 H new ATOM 246 N ALA A 16 3.000 7.641 10.104 1.00 1.00 N ATOM 247 CA ALA A 16 2.902 6.438 10.914 1.00 1.00 C ATOM 248 C ALA A 16 1.429 6.057 11.077 1.00 1.00 C ATOM 249 O ALA A 16 1.090 4.875 11.108 1.00 1.00 O ATOM 250 CB ALA A 16 3.597 6.669 12.257 1.00 1.00 C ATOM 0 H ALA A 16 3.707 8.308 10.414 1.00 1.00 H new ATOM 0 HA ALA A 16 3.406 5.604 10.426 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.524 5.767 12.865 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.647 6.908 12.087 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.116 7.497 12.778 1.00 1.00 H new ATOM 256 N ARG A 17 0.594 7.080 11.178 1.00 1.00 N ATOM 257 CA ARG A 17 -0.835 6.867 11.337 1.00 1.00 C ATOM 258 C ARG A 17 -1.426 6.258 10.064 1.00 1.00 C ATOM 259 O ARG A 17 -1.787 5.082 10.045 1.00 1.00 O ATOM 260 CB ARG A 17 -1.556 8.180 11.649 1.00 1.00 C ATOM 261 CG ARG A 17 -1.806 8.325 13.151 1.00 1.00 C ATOM 262 CD ARG A 17 -0.486 8.444 13.917 1.00 1.00 C ATOM 263 NE ARG A 17 -0.306 9.830 14.404 1.00 1.00 N ATOM 264 CZ ARG A 17 0.446 10.163 15.462 1.00 1.00 C ATOM 265 NH1 ARG A 17 1.092 9.212 16.150 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.552 11.446 15.831 1.00 1.00 N ATOM 0 H ARG A 17 0.879 8.059 11.153 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.977 6.181 12.172 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -0.959 9.020 11.293 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.505 8.214 11.114 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.420 9.206 13.338 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.366 7.463 13.515 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.480 7.751 14.758 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.346 8.166 13.270 1.00 1.00 H new ATOM 0 HE ARG A 17 -0.784 10.579 13.903 1.00 1.00 H new ATOM 0 HH11 ARG A 17 1.011 8.235 15.868 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.665 9.465 16.955 1.00 1.00 H new ATOM 0 HH21 ARG A 17 0.060 12.170 15.307 1.00 1.00 H new ATOM 0 HH22 ARG A 17 1.124 11.699 16.636 1.00 1.00 H new ATOM 280 N PRO A 18 -1.508 7.107 9.005 1.00 1.00 N ATOM 281 CA PRO A 18 -2.049 6.664 7.731 1.00 1.00 C ATOM 282 C PRO A 18 -1.047 5.779 6.988 1.00 1.00 C ATOM 283 O PRO A 18 -1.438 4.922 6.196 1.00 1.00 O ATOM 284 CB PRO A 18 -2.384 7.943 6.980 1.00 1.00 C ATOM 285 CG PRO A 18 -1.593 9.046 7.664 1.00 1.00 C ATOM 286 CD PRO A 18 -1.090 8.505 8.992 1.00 1.00 C ATOM 0 HA PRO A 18 -2.936 6.041 7.844 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.111 7.861 5.928 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.454 8.149 7.017 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.757 9.360 7.039 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.220 9.923 7.822 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.007 8.595 9.071 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.518 9.054 9.831 1.00 1.00 H new ATOM 294 N ALA A 19 0.226 6.016 7.269 1.00 1.00 N ATOM 295 CA ALA A 19 1.287 5.250 6.637 1.00 1.00 C ATOM 296 C ALA A 19 1.135 3.774 7.008 1.00 1.00 C ATOM 297 O ALA A 19 1.202 2.903 6.142 1.00 1.00 O ATOM 298 CB ALA A 19 2.645 5.820 7.053 1.00 1.00 C ATOM 0 H ALA A 19 0.547 6.728 7.926 1.00 1.00 H new ATOM 0 HA ALA A 19 1.221 5.325 5.552 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.441 5.246 6.579 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.714 6.862 6.740 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.749 5.759 8.136 1.00 1.00 H new ATOM 304 N THR A 20 0.933 3.538 8.296 1.00 1.00 N ATOM 305 CA THR A 20 0.772 2.182 8.792 1.00 1.00 C ATOM 306 C THR A 20 -0.600 1.630 8.399 1.00 1.00 C ATOM 307 O THR A 20 -0.722 0.461 8.035 1.00 1.00 O ATOM 308 CB THR A 20 1.009 2.199 10.303 1.00 1.00 C ATOM 309 OG1 THR A 20 1.936 3.264 10.496 1.00 1.00 O ATOM 310 CG2 THR A 20 1.759 0.959 10.793 1.00 1.00 C ATOM 0 H THR A 20 0.877 4.263 9.011 1.00 1.00 H new ATOM 0 HA THR A 20 1.501 1.508 8.342 1.00 1.00 H new ATOM 0 HB THR A 20 0.052 2.271 10.820 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.454 4.071 10.775 1.00 1.00 H new ATOM 0 HG21 THR A 20 1.901 1.022 11.872 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.181 0.066 10.555 1.00 1.00 H new ATOM 0 HG23 THR A 20 2.731 0.904 10.302 1.00 1.00 H new ATOM 318 N LEU A 21 -1.598 2.497 8.485 1.00 1.00 N ATOM 319 CA LEU A 21 -2.957 2.112 8.143 1.00 1.00 C ATOM 320 C LEU A 21 -2.930 1.211 6.907 1.00 1.00 C ATOM 321 O LEU A 21 -3.422 0.083 6.945 1.00 1.00 O ATOM 322 CB LEU A 21 -3.841 3.350 7.982 1.00 1.00 C ATOM 323 CG LEU A 21 -5.351 3.106 8.026 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.123 4.395 7.735 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.751 1.973 7.079 1.00 1.00 C ATOM 0 H LEU A 21 -1.493 3.466 8.787 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.404 1.533 8.951 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.585 4.060 8.768 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.597 3.825 7.032 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.617 2.792 9.035 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.194 4.194 7.772 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.869 5.148 8.481 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.857 4.762 6.744 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.829 1.820 7.130 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.469 2.235 6.059 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.240 1.056 7.373 1.00 1.00 H new ATOM 337 N LEU A 22 -2.352 1.741 5.839 1.00 1.00 N ATOM 338 CA LEU A 22 -2.255 0.999 4.594 1.00 1.00 C ATOM 339 C LEU A 22 -1.276 -0.164 4.773 1.00 1.00 C ATOM 340 O LEU A 22 -1.668 -1.327 4.694 1.00 1.00 O ATOM 341 CB LEU A 22 -1.893 1.934 3.439 1.00 1.00 C ATOM 342 CG LEU A 22 -0.775 2.942 3.717 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.405 2.727 2.767 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.304 4.377 3.659 1.00 1.00 C ATOM 0 H LEU A 22 -1.946 2.676 5.811 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.221 0.567 4.333 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.602 1.326 2.583 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.788 2.485 3.149 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.408 2.775 4.730 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.185 3.456 2.985 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.801 1.720 2.901 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.070 2.852 1.737 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.490 5.073 3.860 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.714 4.574 2.668 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -2.086 4.507 4.407 1.00 1.00 H new ATOM 356 N VAL A 23 -0.022 0.191 5.010 1.00 1.00 N ATOM 357 CA VAL A 23 1.015 -0.808 5.201 1.00 1.00 C ATOM 358 C VAL A 23 0.514 -1.878 6.173 1.00 1.00 C ATOM 359 O VAL A 23 0.572 -3.070 5.874 1.00 1.00 O ATOM 360 CB VAL A 23 2.309 -0.137 5.666 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.065 0.724 6.907 1.00 1.00 C ATOM 362 CG2 VAL A 23 3.403 -1.175 5.925 1.00 1.00 C ATOM 0 H VAL A 23 0.299 1.157 5.074 1.00 1.00 H new ATOM 0 HA VAL A 23 1.243 -1.306 4.259 1.00 1.00 H new ATOM 0 HB VAL A 23 2.652 0.519 4.866 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.001 1.189 7.217 1.00 1.00 H new ATOM 0 HG12 VAL A 23 1.334 1.498 6.675 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.686 0.098 7.715 1.00 1.00 H new ATOM 0 HG21 VAL A 23 4.312 -0.671 6.254 1.00 1.00 H new ATOM 0 HG22 VAL A 23 3.071 -1.868 6.698 1.00 1.00 H new ATOM 0 HG23 VAL A 23 3.606 -1.726 5.007 1.00 1.00 H new ATOM 372 N GLN A 24 0.033 -1.414 7.317 1.00 1.00 N ATOM 373 CA GLN A 24 -0.479 -2.317 8.334 1.00 1.00 C ATOM 374 C GLN A 24 -1.486 -3.292 7.722 1.00 1.00 C ATOM 375 O GLN A 24 -1.515 -4.468 8.081 1.00 1.00 O ATOM 376 CB GLN A 24 -1.104 -1.538 9.493 1.00 1.00 C ATOM 377 CG GLN A 24 -2.495 -1.022 9.120 1.00 1.00 C ATOM 378 CD GLN A 24 -3.455 -1.125 10.307 1.00 1.00 C ATOM 379 OE1 GLN A 24 -4.461 -1.814 10.267 1.00 1.00 O ATOM 380 NE2 GLN A 24 -3.089 -0.403 11.362 1.00 1.00 N ATOM 0 H GLN A 24 -0.013 -0.425 7.562 1.00 1.00 H new ATOM 0 HA GLN A 24 0.356 -2.893 8.734 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.174 -2.180 10.371 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.461 -0.700 9.761 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.426 0.015 8.792 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.887 -1.596 8.280 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -2.234 0.152 11.328 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -3.663 -0.404 12.205 1.00 1.00 H new ATOM 389 N THR A 25 -2.288 -2.767 6.807 1.00 1.00 N ATOM 390 CA THR A 25 -3.295 -3.576 6.141 1.00 1.00 C ATOM 391 C THR A 25 -2.678 -4.330 4.961 1.00 1.00 C ATOM 392 O THR A 25 -3.143 -5.409 4.598 1.00 1.00 O ATOM 393 CB THR A 25 -4.449 -2.657 5.737 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.481 -2.966 6.670 1.00 1.00 O ATOM 395 CG2 THR A 25 -5.049 -3.031 4.380 1.00 1.00 C ATOM 0 H THR A 25 -2.261 -1.791 6.511 1.00 1.00 H new ATOM 0 HA THR A 25 -3.689 -4.343 6.807 1.00 1.00 H new ATOM 0 HB THR A 25 -4.098 -1.626 5.706 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.268 -2.413 6.482 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.864 -2.347 4.142 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.280 -2.961 3.611 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.431 -4.051 4.420 1.00 1.00 H new ATOM 403 N ALA A 26 -1.639 -3.732 4.396 1.00 1.00 N ATOM 404 CA ALA A 26 -0.953 -4.334 3.265 1.00 1.00 C ATOM 405 C ALA A 26 0.091 -5.328 3.777 1.00 1.00 C ATOM 406 O ALA A 26 0.348 -6.347 3.138 1.00 1.00 O ATOM 407 CB ALA A 26 -0.336 -3.234 2.398 1.00 1.00 C ATOM 0 H ALA A 26 -1.256 -2.837 4.700 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.655 -4.887 2.640 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.179 -3.685 1.550 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.123 -2.572 2.035 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.376 -2.660 2.991 1.00 1.00 H new ATOM 413 N SER A 27 0.663 -4.997 4.925 1.00 1.00 N ATOM 414 CA SER A 27 1.673 -5.849 5.531 1.00 1.00 C ATOM 415 C SER A 27 1.014 -6.841 6.491 1.00 1.00 C ATOM 416 O SER A 27 1.521 -7.079 7.587 1.00 1.00 O ATOM 417 CB SER A 27 2.726 -5.017 6.266 1.00 1.00 C ATOM 418 OG SER A 27 3.980 -5.689 6.342 1.00 1.00 O ATOM 0 H SER A 27 0.447 -4.151 5.452 1.00 1.00 H new ATOM 0 HA SER A 27 2.175 -6.402 4.737 1.00 1.00 H new ATOM 0 HB2 SER A 27 2.856 -4.063 5.754 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.373 -4.793 7.273 1.00 1.00 H new ATOM 0 HG SER A 27 3.866 -6.543 6.808 1.00 1.00 H new ATOM 424 N LYS A 28 -0.105 -7.392 6.046 1.00 1.00 N ATOM 425 CA LYS A 28 -0.838 -8.353 6.852 1.00 1.00 C ATOM 426 C LYS A 28 -1.539 -9.354 5.933 1.00 1.00 C ATOM 427 O LYS A 28 -2.533 -9.968 6.319 1.00 1.00 O ATOM 428 CB LYS A 28 -1.786 -7.633 7.814 1.00 1.00 C ATOM 429 CG LYS A 28 -2.658 -6.621 7.068 1.00 1.00 C ATOM 430 CD LYS A 28 -3.831 -7.315 6.372 1.00 1.00 C ATOM 431 CE LYS A 28 -4.837 -7.848 7.394 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.857 -9.328 7.378 1.00 1.00 N ATOM 0 H LYS A 28 -0.522 -7.191 5.137 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.154 -8.922 7.481 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.420 -8.362 8.320 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.209 -7.123 8.585 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.035 -5.875 7.768 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.056 -6.090 6.331 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.326 -6.614 5.700 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.460 -8.136 5.759 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.575 -7.493 8.391 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.832 -7.462 7.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.263 -9.679 8.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -5.435 -9.659 6.579 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.886 -9.687 7.275 1.00 1.00 H new ATOM 446 N PHE A 29 -0.994 -9.490 4.733 1.00 1.00 N ATOM 447 CA PHE A 29 -1.555 -10.406 3.755 1.00 1.00 C ATOM 448 C PHE A 29 -0.530 -11.466 3.346 1.00 1.00 C ATOM 449 O PHE A 29 0.633 -11.148 3.100 1.00 1.00 O ATOM 450 CB PHE A 29 -1.930 -9.575 2.526 1.00 1.00 C ATOM 451 CG PHE A 29 -2.948 -8.469 2.810 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.960 -8.687 3.692 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.841 -7.268 2.180 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.905 -7.660 3.955 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.786 -6.242 2.444 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.798 -6.459 3.325 1.00 1.00 C ATOM 0 H PHE A 29 -0.169 -8.981 4.416 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.419 -10.918 4.178 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.026 -9.126 2.114 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.333 -10.238 1.761 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.045 -9.640 4.192 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -2.038 -7.095 1.479 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.709 -7.832 4.655 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.701 -5.288 1.944 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.517 -5.678 3.525 1.00 1.00 H new ATOM 466 N ASN A 30 -0.998 -12.704 3.285 1.00 1.00 N ATOM 467 CA ASN A 30 -0.137 -13.812 2.911 1.00 1.00 C ATOM 468 C ASN A 30 0.325 -13.627 1.464 1.00 1.00 C ATOM 469 O ASN A 30 1.168 -14.379 0.976 1.00 1.00 O ATOM 470 CB ASN A 30 -0.883 -15.145 3.002 1.00 1.00 C ATOM 471 CG ASN A 30 0.092 -16.306 3.209 1.00 1.00 C ATOM 472 OD1 ASN A 30 1.285 -16.124 3.389 1.00 1.00 O ATOM 473 ND2 ASN A 30 -0.480 -17.506 3.172 1.00 1.00 N ATOM 0 H ASN A 30 -1.963 -12.964 3.489 1.00 1.00 H new ATOM 0 HA ASN A 30 0.711 -13.826 3.596 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.595 -15.112 3.827 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -1.458 -15.307 2.091 1.00 1.00 H new ATOM 0 HD21 ASN A 30 0.086 -18.345 3.298 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -1.485 -17.587 3.017 1.00 1.00 H new ATOM 480 N SER A 31 -0.247 -12.621 0.818 1.00 1.00 N ATOM 481 CA SER A 31 0.096 -12.328 -0.563 1.00 1.00 C ATOM 482 C SER A 31 1.203 -11.274 -0.615 1.00 1.00 C ATOM 483 O SER A 31 1.617 -10.751 0.419 1.00 1.00 O ATOM 484 CB SER A 31 -1.130 -11.849 -1.345 1.00 1.00 C ATOM 485 OG SER A 31 -1.784 -12.920 -2.020 1.00 1.00 O ATOM 0 H SER A 31 -0.945 -11.999 1.225 1.00 1.00 H new ATOM 0 HA SER A 31 0.455 -13.246 -1.028 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.831 -11.369 -0.662 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.825 -11.095 -2.071 1.00 1.00 H new ATOM 0 HG SER A 31 -1.679 -12.809 -2.988 1.00 1.00 H new ATOM 491 N ASP A 32 1.652 -10.992 -1.830 1.00 1.00 N ATOM 492 CA ASP A 32 2.703 -10.009 -2.030 1.00 1.00 C ATOM 493 C ASP A 32 2.073 -8.651 -2.346 1.00 1.00 C ATOM 494 O ASP A 32 1.943 -8.279 -3.511 1.00 1.00 O ATOM 495 CB ASP A 32 3.604 -10.397 -3.204 1.00 1.00 C ATOM 496 CG ASP A 32 4.683 -11.431 -2.878 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.619 -11.059 -2.137 1.00 1.00 O ATOM 498 OD2 ASP A 32 4.549 -12.569 -3.376 1.00 1.00 O ATOM 0 H ASP A 32 1.307 -11.427 -2.685 1.00 1.00 H new ATOM 0 HA ASP A 32 3.299 -9.963 -1.118 1.00 1.00 H new ATOM 0 HB2 ASP A 32 2.980 -10.787 -4.008 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.088 -9.497 -3.584 1.00 1.00 H new ATOM 503 N ILE A 33 1.698 -7.948 -1.287 1.00 1.00 N ATOM 504 CA ILE A 33 1.085 -6.640 -1.437 1.00 1.00 C ATOM 505 C ILE A 33 2.103 -5.559 -1.069 1.00 1.00 C ATOM 506 O ILE A 33 2.710 -5.611 0.000 1.00 1.00 O ATOM 507 CB ILE A 33 -0.214 -6.561 -0.632 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.080 -5.391 -1.102 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.075 -6.495 0.869 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.808 -4.138 -0.267 1.00 1.00 C ATOM 0 H ILE A 33 1.807 -8.260 -0.322 1.00 1.00 H new ATOM 0 HA ILE A 33 0.800 -6.470 -2.475 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.783 -7.473 -0.810 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.878 -5.183 -2.153 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.134 -5.661 -1.027 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.865 -6.439 1.418 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.621 -7.388 1.174 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.675 -5.611 1.086 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.436 -3.321 -0.622 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.034 -4.342 0.780 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.241 -3.857 -0.363 1.00 1.00 H new ATOM 522 N ASN A 34 2.258 -4.604 -1.974 1.00 1.00 N ATOM 523 CA ASN A 34 3.192 -3.512 -1.757 1.00 1.00 C ATOM 524 C ASN A 34 2.558 -2.203 -2.230 1.00 1.00 C ATOM 525 O ASN A 34 1.463 -2.206 -2.790 1.00 1.00 O ATOM 526 CB ASN A 34 4.483 -3.726 -2.551 1.00 1.00 C ATOM 527 CG ASN A 34 5.061 -5.119 -2.293 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.662 -5.826 -1.382 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.022 -5.472 -3.142 1.00 1.00 N ATOM 0 H ASN A 34 1.753 -4.564 -2.859 1.00 1.00 H new ATOM 0 HA ASN A 34 3.425 -3.473 -0.693 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.284 -3.602 -3.616 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.215 -2.968 -2.273 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.472 -6.383 -3.052 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.308 -4.832 -3.883 1.00 1.00 H new ATOM 536 N LEU A 35 3.273 -1.114 -1.987 1.00 1.00 N ATOM 537 CA LEU A 35 2.794 0.200 -2.381 1.00 1.00 C ATOM 538 C LEU A 35 3.785 0.825 -3.365 1.00 1.00 C ATOM 539 O LEU A 35 4.996 0.671 -3.214 1.00 1.00 O ATOM 540 CB LEU A 35 2.524 1.064 -1.148 1.00 1.00 C ATOM 541 CG LEU A 35 3.499 2.219 -0.911 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.518 3.173 -2.108 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.180 2.947 0.396 1.00 1.00 C ATOM 0 H LEU A 35 4.181 -1.115 -1.522 1.00 1.00 H new ATOM 0 HA LEU A 35 1.838 0.118 -2.899 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.518 1.475 -1.230 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.534 0.420 -0.269 1.00 1.00 H new ATOM 0 HG LEU A 35 4.502 1.805 -0.812 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.219 3.985 -1.915 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.829 2.630 -3.001 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.520 3.584 -2.262 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.888 3.763 0.540 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.168 3.348 0.351 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.257 2.249 1.229 1.00 1.00 H new ATOM 555 N GLU A 36 3.233 1.518 -4.351 1.00 1.00 N ATOM 556 CA GLU A 36 4.053 2.168 -5.359 1.00 1.00 C ATOM 557 C GLU A 36 3.679 3.647 -5.476 1.00 1.00 C ATOM 558 O GLU A 36 2.558 3.979 -5.858 1.00 1.00 O ATOM 559 CB GLU A 36 3.924 1.461 -6.710 1.00 1.00 C ATOM 560 CG GLU A 36 4.772 2.157 -7.776 1.00 1.00 C ATOM 561 CD GLU A 36 3.909 2.600 -8.960 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.725 1.765 -9.872 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.454 3.763 -8.926 1.00 1.00 O ATOM 0 H GLU A 36 2.228 1.643 -4.473 1.00 1.00 H new ATOM 0 HA GLU A 36 5.096 2.101 -5.049 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.238 0.422 -6.612 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.879 1.451 -7.021 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.271 3.023 -7.341 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.553 1.481 -8.123 1.00 1.00 H new ATOM 570 N TYR A 37 4.639 4.496 -5.138 1.00 1.00 N ATOM 571 CA TYR A 37 4.424 5.931 -5.201 1.00 1.00 C ATOM 572 C TYR A 37 5.380 6.586 -6.199 1.00 1.00 C ATOM 573 O TYR A 37 6.593 6.394 -6.120 1.00 1.00 O ATOM 574 CB TYR A 37 4.726 6.464 -3.798 1.00 1.00 C ATOM 575 CG TYR A 37 4.788 7.990 -3.713 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.145 8.761 -4.659 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.488 8.596 -2.688 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.204 10.198 -4.579 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.546 10.033 -2.608 1.00 1.00 C ATOM 580 CZ TYR A 37 4.902 10.762 -3.557 1.00 1.00 C ATOM 581 OH TYR A 37 4.957 12.119 -3.481 1.00 1.00 O ATOM 0 H TYR A 37 5.567 4.217 -4.820 1.00 1.00 H new ATOM 0 HA TYR A 37 3.407 6.153 -5.523 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.961 6.103 -3.111 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.677 6.052 -3.461 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.597 8.287 -5.460 1.00 1.00 H new ATOM 0 HD2 TYR A 37 5.991 7.993 -1.947 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.706 10.813 -5.313 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.089 10.520 -1.812 1.00 1.00 H new ATOM 0 HH TYR A 37 5.488 12.382 -2.700 1.00 1.00 H new ATOM 591 N LYS A 38 4.799 7.347 -7.115 1.00 1.00 N ATOM 592 CA LYS A 38 5.585 8.031 -8.128 1.00 1.00 C ATOM 593 C LYS A 38 6.114 7.008 -9.134 1.00 1.00 C ATOM 594 O LYS A 38 6.840 7.362 -10.062 1.00 1.00 O ATOM 595 CB LYS A 38 6.681 8.875 -7.475 1.00 1.00 C ATOM 596 CG LYS A 38 7.925 8.032 -7.188 1.00 1.00 C ATOM 597 CD LYS A 38 9.188 8.721 -7.709 1.00 1.00 C ATOM 598 CE LYS A 38 9.294 10.150 -7.170 1.00 1.00 C ATOM 599 NZ LYS A 38 10.498 10.295 -6.322 1.00 1.00 N ATOM 0 H LYS A 38 3.793 7.505 -7.177 1.00 1.00 H new ATOM 0 HA LYS A 38 4.963 8.732 -8.684 1.00 1.00 H new ATOM 0 HB2 LYS A 38 6.944 9.706 -8.130 1.00 1.00 H new ATOM 0 HB3 LYS A 38 6.308 9.307 -6.546 1.00 1.00 H new ATOM 0 HG2 LYS A 38 8.015 7.864 -6.115 1.00 1.00 H new ATOM 0 HG3 LYS A 38 7.821 7.053 -7.656 1.00 1.00 H new ATOM 0 HD2 LYS A 38 10.067 8.150 -7.411 1.00 1.00 H new ATOM 0 HD3 LYS A 38 9.174 8.739 -8.799 1.00 1.00 H new ATOM 0 HE2 LYS A 38 9.339 10.856 -8.000 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.403 10.394 -6.592 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 10.555 11.270 -5.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 10.440 9.635 -5.520 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 11.346 10.082 -6.885 1.00 1.00 H new ATOM 613 N GLY A 39 5.731 5.758 -8.917 1.00 1.00 N ATOM 614 CA GLY A 39 6.158 4.681 -9.793 1.00 1.00 C ATOM 615 C GLY A 39 7.057 3.692 -9.049 1.00 1.00 C ATOM 616 O GLY A 39 7.495 2.694 -9.620 1.00 1.00 O ATOM 0 H GLY A 39 5.129 5.467 -8.146 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.285 4.160 -10.186 1.00 1.00 H new ATOM 0 HA3 GLY A 39 6.694 5.094 -10.647 1.00 1.00 H new ATOM 620 N LYS A 40 7.306 4.003 -7.785 1.00 1.00 N ATOM 621 CA LYS A 40 8.144 3.154 -6.957 1.00 1.00 C ATOM 622 C LYS A 40 7.260 2.203 -6.148 1.00 1.00 C ATOM 623 O LYS A 40 6.537 2.634 -5.251 1.00 1.00 O ATOM 624 CB LYS A 40 9.082 4.003 -6.096 1.00 1.00 C ATOM 625 CG LYS A 40 9.753 3.154 -5.014 1.00 1.00 C ATOM 626 CD LYS A 40 10.783 3.974 -4.234 1.00 1.00 C ATOM 627 CE LYS A 40 10.557 3.846 -2.727 1.00 1.00 C ATOM 628 NZ LYS A 40 10.819 5.137 -2.052 1.00 1.00 N ATOM 0 H LYS A 40 6.942 4.832 -7.315 1.00 1.00 H new ATOM 0 HA LYS A 40 8.791 2.536 -7.579 1.00 1.00 H new ATOM 0 HB2 LYS A 40 9.843 4.463 -6.726 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.521 4.813 -5.631 1.00 1.00 H new ATOM 0 HG2 LYS A 40 8.998 2.767 -4.330 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.240 2.293 -5.472 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.788 3.635 -4.485 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.717 5.022 -4.528 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.533 3.529 -2.533 1.00 1.00 H new ATOM 0 HE3 LYS A 40 11.212 3.076 -2.319 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.455 5.100 -1.078 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 11.843 5.317 -2.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.343 5.903 -2.570 1.00 1.00 H new ATOM 642 N SER A 41 7.345 0.927 -6.495 1.00 1.00 N ATOM 643 CA SER A 41 6.561 -0.088 -5.812 1.00 1.00 C ATOM 644 C SER A 41 7.456 -0.893 -4.868 1.00 1.00 C ATOM 645 O SER A 41 8.373 -1.582 -5.312 1.00 1.00 O ATOM 646 CB SER A 41 5.874 -1.019 -6.814 1.00 1.00 C ATOM 647 OG SER A 41 6.687 -2.141 -7.144 1.00 1.00 O ATOM 0 H SER A 41 7.945 0.573 -7.240 1.00 1.00 H new ATOM 0 HA SER A 41 5.786 0.412 -5.230 1.00 1.00 H new ATOM 0 HB2 SER A 41 4.929 -1.366 -6.397 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.637 -0.464 -7.721 1.00 1.00 H new ATOM 0 HG SER A 41 7.607 -1.976 -6.850 1.00 1.00 H new ATOM 653 N VAL A 42 7.158 -0.778 -3.582 1.00 1.00 N ATOM 654 CA VAL A 42 7.924 -1.487 -2.570 1.00 1.00 C ATOM 655 C VAL A 42 6.992 -1.910 -1.434 1.00 1.00 C ATOM 656 O VAL A 42 6.070 -1.178 -1.077 1.00 1.00 O ATOM 657 CB VAL A 42 9.091 -0.619 -2.095 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.569 0.316 -3.208 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.711 0.171 -0.840 1.00 1.00 C ATOM 0 H VAL A 42 6.397 -0.205 -3.217 1.00 1.00 H new ATOM 0 HA VAL A 42 8.360 -2.395 -2.987 1.00 1.00 H new ATOM 0 HB VAL A 42 9.917 -1.281 -1.837 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.399 0.921 -2.843 1.00 1.00 H new ATOM 0 HG12 VAL A 42 9.899 -0.275 -4.063 1.00 1.00 H new ATOM 0 HG13 VAL A 42 8.750 0.968 -3.512 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.558 0.780 -0.523 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.862 0.818 -1.060 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.443 -0.521 -0.042 1.00 1.00 H new ATOM 669 N ASN A 43 7.264 -3.090 -0.896 1.00 1.00 N ATOM 670 CA ASN A 43 6.460 -3.619 0.193 1.00 1.00 C ATOM 671 C ASN A 43 6.165 -2.500 1.194 1.00 1.00 C ATOM 672 O ASN A 43 6.916 -2.301 2.147 1.00 1.00 O ATOM 673 CB ASN A 43 7.203 -4.733 0.934 1.00 1.00 C ATOM 674 CG ASN A 43 8.010 -5.595 -0.038 1.00 1.00 C ATOM 675 OD1 ASN A 43 7.473 -6.344 -0.837 1.00 1.00 O ATOM 676 ND2 ASN A 43 9.327 -5.448 0.074 1.00 1.00 N ATOM 0 H ASN A 43 8.030 -3.695 -1.194 1.00 1.00 H new ATOM 0 HA ASN A 43 5.539 -4.019 -0.231 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.869 -4.298 1.679 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.488 -5.357 1.471 1.00 1.00 H new ATOM 0 HD21 ASN A 43 9.953 -5.980 -0.531 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.711 -4.803 0.765 1.00 1.00 H new ATOM 683 N LEU A 44 5.069 -1.799 0.942 1.00 1.00 N ATOM 684 CA LEU A 44 4.665 -0.705 1.809 1.00 1.00 C ATOM 685 C LEU A 44 5.359 -0.852 3.165 1.00 1.00 C ATOM 686 O LEU A 44 5.775 0.139 3.764 1.00 1.00 O ATOM 687 CB LEU A 44 3.140 -0.632 1.904 1.00 1.00 C ATOM 688 CG LEU A 44 2.365 -1.585 0.992 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.527 -3.036 1.451 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.894 -1.176 0.895 1.00 1.00 C ATOM 0 H LEU A 44 4.449 -1.967 0.150 1.00 1.00 H new ATOM 0 HA LEU A 44 4.981 0.250 1.390 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.850 -0.832 2.936 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.830 0.388 1.678 1.00 1.00 H new ATOM 0 HG LEU A 44 2.786 -1.515 -0.011 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.966 -3.693 0.786 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.582 -3.310 1.427 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.148 -3.140 2.468 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.366 -1.870 0.241 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.444 -1.199 1.887 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.823 -0.168 0.488 1.00 1.00 H new ATOM 702 N LYS A 45 5.463 -2.096 3.609 1.00 1.00 N ATOM 703 CA LYS A 45 6.099 -2.385 4.883 1.00 1.00 C ATOM 704 C LYS A 45 7.578 -2.002 4.808 1.00 1.00 C ATOM 705 O LYS A 45 8.306 -2.126 5.792 1.00 1.00 O ATOM 706 CB LYS A 45 5.861 -3.842 5.283 1.00 1.00 C ATOM 707 CG LYS A 45 6.296 -4.093 6.728 1.00 1.00 C ATOM 708 CD LYS A 45 5.326 -3.440 7.714 1.00 1.00 C ATOM 709 CE LYS A 45 6.082 -2.681 8.806 1.00 1.00 C ATOM 710 NZ LYS A 45 5.672 -3.157 10.146 1.00 1.00 N ATOM 0 H LYS A 45 5.117 -2.915 3.109 1.00 1.00 H new ATOM 0 HA LYS A 45 5.653 -1.784 5.676 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.805 -4.086 5.170 1.00 1.00 H new ATOM 0 HB3 LYS A 45 6.414 -4.501 4.614 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.344 -5.166 6.916 1.00 1.00 H new ATOM 0 HG3 LYS A 45 7.300 -3.697 6.883 1.00 1.00 H new ATOM 0 HD2 LYS A 45 4.666 -2.756 7.181 1.00 1.00 H new ATOM 0 HD3 LYS A 45 4.694 -4.204 8.168 1.00 1.00 H new ATOM 0 HE2 LYS A 45 7.155 -2.820 8.677 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.886 -1.613 8.717 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 6.194 -2.632 10.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 4.651 -3.002 10.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 5.882 -4.172 10.233 1.00 1.00 H new ATOM 724 N SER A 46 7.979 -1.545 3.631 1.00 1.00 N ATOM 725 CA SER A 46 9.359 -1.143 3.414 1.00 1.00 C ATOM 726 C SER A 46 9.542 0.327 3.795 1.00 1.00 C ATOM 727 O SER A 46 9.744 1.176 2.928 1.00 1.00 O ATOM 728 CB SER A 46 9.777 -1.371 1.960 1.00 1.00 C ATOM 729 OG SER A 46 11.191 -1.475 1.821 1.00 1.00 O ATOM 0 H SER A 46 7.373 -1.444 2.817 1.00 1.00 H new ATOM 0 HA SER A 46 9.998 -1.758 4.048 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.308 -2.281 1.587 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.412 -0.549 1.345 1.00 1.00 H new ATOM 0 HG SER A 46 11.417 -1.621 0.879 1.00 1.00 H new ATOM 735 N ILE A 47 9.465 0.583 5.093 1.00 1.00 N ATOM 736 CA ILE A 47 9.619 1.936 5.599 1.00 1.00 C ATOM 737 C ILE A 47 10.756 2.631 4.847 1.00 1.00 C ATOM 738 O ILE A 47 10.553 3.683 4.242 1.00 1.00 O ATOM 739 CB ILE A 47 9.805 1.922 7.118 1.00 1.00 C ATOM 740 CG1 ILE A 47 8.799 2.850 7.802 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.248 2.261 7.497 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.369 2.527 7.365 1.00 1.00 C ATOM 0 H ILE A 47 9.298 -0.124 5.809 1.00 1.00 H new ATOM 0 HA ILE A 47 8.714 2.516 5.417 1.00 1.00 H new ATOM 0 HB ILE A 47 9.607 0.912 7.477 1.00 1.00 H new ATOM 0 HG12 ILE A 47 8.884 2.749 8.884 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.032 3.887 7.559 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.353 2.244 8.582 1.00 1.00 H new ATOM 0 HG22 ILE A 47 11.922 1.527 7.056 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.499 3.254 7.124 1.00 1.00 H new ATOM 0 HD11 ILE A 47 6.674 3.201 7.866 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.281 2.652 6.286 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.131 1.497 7.631 1.00 1.00 H new ATOM 754 N MET A 48 11.927 2.015 4.908 1.00 1.00 N ATOM 755 CA MET A 48 13.096 2.561 4.240 1.00 1.00 C ATOM 756 C MET A 48 12.727 3.134 2.871 1.00 1.00 C ATOM 757 O MET A 48 12.760 4.347 2.672 1.00 1.00 O ATOM 758 CB MET A 48 14.146 1.461 4.068 1.00 1.00 C ATOM 759 CG MET A 48 13.491 0.079 4.026 1.00 1.00 C ATOM 760 SD MET A 48 14.440 -1.015 2.982 1.00 1.00 S ATOM 761 CE MET A 48 14.191 -0.228 1.400 1.00 1.00 C ATOM 0 H MET A 48 12.092 1.142 5.410 1.00 1.00 H new ATOM 0 HA MET A 48 13.499 3.367 4.853 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.707 1.629 3.149 1.00 1.00 H new ATOM 0 HB3 MET A 48 14.861 1.504 4.890 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.426 -0.332 5.033 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.472 0.162 3.649 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.630 -0.843 0.614 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.123 -0.111 1.216 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.668 0.752 1.402 1.00 1.00 H new ATOM 771 N GLY A 49 12.385 2.233 1.961 1.00 1.00 N ATOM 772 CA GLY A 49 12.010 2.634 0.615 1.00 1.00 C ATOM 773 C GLY A 49 10.843 3.623 0.642 1.00 1.00 C ATOM 774 O GLY A 49 10.913 4.688 0.031 1.00 1.00 O ATOM 0 H GLY A 49 12.360 1.227 2.129 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.865 3.089 0.116 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.733 1.755 0.034 1.00 1.00 H new ATOM 778 N VAL A 50 9.797 3.235 1.358 1.00 1.00 N ATOM 779 CA VAL A 50 8.616 4.073 1.473 1.00 1.00 C ATOM 780 C VAL A 50 9.002 5.402 2.125 1.00 1.00 C ATOM 781 O VAL A 50 8.626 6.468 1.640 1.00 1.00 O ATOM 782 CB VAL A 50 7.518 3.329 2.235 1.00 1.00 C ATOM 783 CG1 VAL A 50 6.964 4.187 3.374 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.401 2.883 1.290 1.00 1.00 C ATOM 0 H VAL A 50 9.743 2.351 1.864 1.00 1.00 H new ATOM 0 HA VAL A 50 8.211 4.300 0.487 1.00 1.00 H new ATOM 0 HB VAL A 50 7.961 2.435 2.674 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.185 3.635 3.900 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.767 4.432 4.069 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.544 5.107 2.966 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.633 2.357 1.857 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.962 3.756 0.808 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.811 2.218 0.530 1.00 1.00 H new ATOM 794 N MET A 51 9.747 5.295 3.216 1.00 1.00 N ATOM 795 CA MET A 51 10.187 6.476 3.940 1.00 1.00 C ATOM 796 C MET A 51 10.630 7.577 2.975 1.00 1.00 C ATOM 797 O MET A 51 10.137 8.702 3.043 1.00 1.00 O ATOM 798 CB MET A 51 11.351 6.105 4.861 1.00 1.00 C ATOM 799 CG MET A 51 11.996 7.356 5.461 1.00 1.00 C ATOM 800 SD MET A 51 11.661 7.436 7.212 1.00 1.00 S ATOM 801 CE MET A 51 10.041 6.688 7.252 1.00 1.00 C ATOM 0 H MET A 51 10.057 4.409 3.616 1.00 1.00 H new ATOM 0 HA MET A 51 9.350 6.851 4.530 1.00 1.00 H new ATOM 0 HB2 MET A 51 10.994 5.456 5.661 1.00 1.00 H new ATOM 0 HB3 MET A 51 12.096 5.540 4.301 1.00 1.00 H new ATOM 0 HG2 MET A 51 13.072 7.338 5.289 1.00 1.00 H new ATOM 0 HG3 MET A 51 11.609 8.247 4.967 1.00 1.00 H new ATOM 0 HE1 MET A 51 9.576 6.878 8.219 1.00 1.00 H new ATOM 0 HE2 MET A 51 9.423 7.115 6.462 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.133 5.613 7.099 1.00 1.00 H new ATOM 811 N SER A 52 11.556 7.215 2.099 1.00 1.00 N ATOM 812 CA SER A 52 12.071 8.159 1.122 1.00 1.00 C ATOM 813 C SER A 52 10.941 8.631 0.204 1.00 1.00 C ATOM 814 O SER A 52 11.033 9.697 -0.402 1.00 1.00 O ATOM 815 CB SER A 52 13.200 7.537 0.298 1.00 1.00 C ATOM 816 OG SER A 52 12.703 6.740 -0.774 1.00 1.00 O ATOM 0 H SER A 52 11.963 6.281 2.046 1.00 1.00 H new ATOM 0 HA SER A 52 12.478 9.017 1.657 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.835 8.328 -0.102 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.826 6.923 0.946 1.00 1.00 H new ATOM 0 HG SER A 52 13.455 6.362 -1.277 1.00 1.00 H new ATOM 822 N LEU A 53 9.901 7.813 0.130 1.00 1.00 N ATOM 823 CA LEU A 53 8.755 8.133 -0.703 1.00 1.00 C ATOM 824 C LEU A 53 7.709 8.868 0.136 1.00 1.00 C ATOM 825 O LEU A 53 7.754 10.091 0.259 1.00 1.00 O ATOM 826 CB LEU A 53 8.221 6.873 -1.387 1.00 1.00 C ATOM 827 CG LEU A 53 8.480 6.764 -2.891 1.00 1.00 C ATOM 828 CD1 LEU A 53 7.887 5.472 -3.457 1.00 1.00 C ATOM 829 CD2 LEU A 53 7.965 8.002 -3.627 1.00 1.00 C ATOM 0 H LEU A 53 9.829 6.929 0.634 1.00 1.00 H new ATOM 0 HA LEU A 53 9.047 8.806 -1.509 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.662 6.004 -0.899 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.145 6.821 -1.219 1.00 1.00 H new ATOM 0 HG LEU A 53 9.557 6.720 -3.050 1.00 1.00 H new ATOM 0 HD11 LEU A 53 8.085 5.419 -4.528 1.00 1.00 H new ATOM 0 HD12 LEU A 53 8.342 4.615 -2.961 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.811 5.460 -3.286 1.00 1.00 H new ATOM 0 HD21 LEU A 53 8.162 7.899 -4.694 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.892 8.102 -3.464 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.474 8.888 -3.248 1.00 1.00 H new ATOM 841 N GLY A 54 6.791 8.092 0.692 1.00 1.00 N ATOM 842 CA GLY A 54 5.734 8.653 1.517 1.00 1.00 C ATOM 843 C GLY A 54 4.868 9.625 0.712 1.00 1.00 C ATOM 844 O GLY A 54 5.386 10.539 0.072 1.00 1.00 O ATOM 0 H GLY A 54 6.757 7.078 0.587 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.113 7.850 1.914 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.170 9.171 2.371 1.00 1.00 H new ATOM 848 N VAL A 55 3.565 9.393 0.769 1.00 1.00 N ATOM 849 CA VAL A 55 2.623 10.236 0.054 1.00 1.00 C ATOM 850 C VAL A 55 1.775 11.014 1.061 1.00 1.00 C ATOM 851 O VAL A 55 2.037 10.974 2.262 1.00 1.00 O ATOM 852 CB VAL A 55 1.784 9.387 -0.904 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.264 9.552 -2.347 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.797 7.915 -0.487 1.00 1.00 C ATOM 0 H VAL A 55 3.139 8.633 1.300 1.00 1.00 H new ATOM 0 HA VAL A 55 3.152 10.966 -0.558 1.00 1.00 H new ATOM 0 HB VAL A 55 0.755 9.741 -0.851 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.651 8.938 -3.007 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.179 10.598 -2.641 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.305 9.238 -2.422 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.193 7.334 -1.184 1.00 1.00 H new ATOM 0 HG22 VAL A 55 2.822 7.543 -0.497 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.385 7.818 0.518 1.00 1.00 H new ATOM 864 N GLY A 56 0.774 11.706 0.535 1.00 1.00 N ATOM 865 CA GLY A 56 -0.114 12.493 1.373 1.00 1.00 C ATOM 866 C GLY A 56 -0.841 13.560 0.552 1.00 1.00 C ATOM 867 O GLY A 56 -1.917 13.306 0.012 1.00 1.00 O ATOM 0 H GLY A 56 0.559 11.738 -0.462 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.842 11.839 1.852 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.459 12.969 2.169 1.00 1.00 H new ATOM 871 N GLN A 57 -0.225 14.730 0.483 1.00 1.00 N ATOM 872 CA GLN A 57 -0.800 15.836 -0.263 1.00 1.00 C ATOM 873 C GLN A 57 -1.375 15.339 -1.590 1.00 1.00 C ATOM 874 O GLN A 57 -0.679 15.316 -2.604 1.00 1.00 O ATOM 875 CB GLN A 57 0.235 16.939 -0.494 1.00 1.00 C ATOM 876 CG GLN A 57 1.128 16.612 -1.693 1.00 1.00 C ATOM 877 CD GLN A 57 2.489 17.298 -1.566 1.00 1.00 C ATOM 878 OE1 GLN A 57 3.521 16.665 -1.419 1.00 1.00 O ATOM 879 NE2 GLN A 57 2.434 18.625 -1.632 1.00 1.00 N ATOM 0 H GLN A 57 0.667 14.937 0.932 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.612 16.262 0.326 1.00 1.00 H new ATOM 0 HB2 GLN A 57 -0.272 17.889 -0.662 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.849 17.059 0.399 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.266 15.533 -1.765 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.639 16.933 -2.613 1.00 1.00 H new ATOM 0 HE21 GLN A 57 1.536 19.093 -1.756 1.00 1.00 H new ATOM 0 HE22 GLN A 57 3.290 19.175 -1.558 1.00 1.00 H new ATOM 888 N GLY A 58 -2.642 14.951 -1.541 1.00 1.00 N ATOM 889 CA GLY A 58 -3.319 14.455 -2.727 1.00 1.00 C ATOM 890 C GLY A 58 -2.385 13.583 -3.568 1.00 1.00 C ATOM 891 O GLY A 58 -2.684 13.279 -4.721 1.00 1.00 O ATOM 0 H GLY A 58 -3.217 14.970 -0.699 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.196 13.878 -2.435 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.675 15.294 -3.325 1.00 1.00 H new ATOM 895 N SER A 59 -1.272 13.204 -2.956 1.00 1.00 N ATOM 896 CA SER A 59 -0.292 12.372 -3.634 1.00 1.00 C ATOM 897 C SER A 59 -0.975 11.140 -4.232 1.00 1.00 C ATOM 898 O SER A 59 -2.126 10.848 -3.913 1.00 1.00 O ATOM 899 CB SER A 59 0.825 11.948 -2.678 1.00 1.00 C ATOM 900 OG SER A 59 1.216 13.008 -1.810 1.00 1.00 O ATOM 0 H SER A 59 -1.027 13.458 -1.999 1.00 1.00 H new ATOM 0 HA SER A 59 0.156 12.957 -4.437 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.490 11.098 -2.084 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.688 11.614 -3.254 1.00 1.00 H new ATOM 0 HG SER A 59 2.108 12.823 -1.449 1.00 1.00 H new ATOM 906 N ASP A 60 -0.236 10.451 -5.089 1.00 1.00 N ATOM 907 CA ASP A 60 -0.756 9.258 -5.735 1.00 1.00 C ATOM 908 C ASP A 60 0.264 8.125 -5.601 1.00 1.00 C ATOM 909 O ASP A 60 1.470 8.368 -5.607 1.00 1.00 O ATOM 910 CB ASP A 60 -1.000 9.500 -7.225 1.00 1.00 C ATOM 911 CG ASP A 60 0.265 9.617 -8.078 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.944 8.579 -8.230 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.525 10.742 -8.557 1.00 1.00 O ATOM 0 H ASP A 60 0.719 10.696 -5.351 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.698 8.998 -5.253 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.609 8.684 -7.615 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.582 10.415 -7.338 1.00 1.00 H new ATOM 918 N VAL A 61 -0.257 6.913 -5.483 1.00 1.00 N ATOM 919 CA VAL A 61 0.593 5.743 -5.348 1.00 1.00 C ATOM 920 C VAL A 61 -0.098 4.539 -5.991 1.00 1.00 C ATOM 921 O VAL A 61 -1.229 4.646 -6.462 1.00 1.00 O ATOM 922 CB VAL A 61 0.942 5.516 -3.876 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.743 6.693 -3.315 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.319 5.266 -3.046 1.00 1.00 C ATOM 0 H VAL A 61 -1.258 6.716 -5.478 1.00 1.00 H new ATOM 0 HA VAL A 61 1.537 5.895 -5.872 1.00 1.00 H new ATOM 0 HB VAL A 61 1.567 4.625 -3.813 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.978 6.507 -2.267 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.668 6.806 -3.880 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.154 7.606 -3.398 1.00 1.00 H new ATOM 0 HG21 VAL A 61 -0.043 5.108 -2.003 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.980 6.130 -3.119 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.834 4.382 -3.423 1.00 1.00 H new ATOM 934 N THR A 62 0.611 3.419 -5.990 1.00 1.00 N ATOM 935 CA THR A 62 0.079 2.196 -6.567 1.00 1.00 C ATOM 936 C THR A 62 0.331 1.012 -5.632 1.00 1.00 C ATOM 937 O THR A 62 1.440 0.839 -5.128 1.00 1.00 O ATOM 938 CB THR A 62 0.702 2.019 -7.953 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.260 2.584 -8.840 1.00 1.00 O ATOM 940 CG2 THR A 62 0.781 0.550 -8.376 1.00 1.00 C ATOM 0 H THR A 62 1.549 3.333 -5.599 1.00 1.00 H new ATOM 0 HA THR A 62 -1.003 2.252 -6.685 1.00 1.00 H new ATOM 0 HB THR A 62 1.702 2.453 -7.960 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.196 3.142 -9.504 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.231 0.480 -9.366 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.391 -0.002 -7.661 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.222 0.124 -8.402 1.00 1.00 H new ATOM 948 N ILE A 63 -0.716 0.227 -5.428 1.00 1.00 N ATOM 949 CA ILE A 63 -0.623 -0.936 -4.562 1.00 1.00 C ATOM 950 C ILE A 63 -0.596 -2.204 -5.419 1.00 1.00 C ATOM 951 O ILE A 63 -1.110 -2.213 -6.536 1.00 1.00 O ATOM 952 CB ILE A 63 -1.744 -0.921 -3.521 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.174 -0.955 -2.101 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.737 -2.059 -3.768 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.208 0.435 -1.464 1.00 1.00 C ATOM 0 H ILE A 63 -1.634 0.373 -5.848 1.00 1.00 H new ATOM 0 HA ILE A 63 0.307 -0.914 -3.994 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.294 0.014 -3.625 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.748 -1.653 -1.491 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.148 -1.323 -2.126 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.524 -2.026 -3.014 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.179 -1.948 -4.758 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.217 -3.015 -3.708 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.798 0.383 -0.456 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.613 1.124 -2.063 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.238 0.789 -1.419 1.00 1.00 H new ATOM 967 N THR A 64 0.008 -3.243 -4.862 1.00 1.00 N ATOM 968 CA THR A 64 0.108 -4.513 -5.561 1.00 1.00 C ATOM 969 C THR A 64 -0.177 -5.673 -4.604 1.00 1.00 C ATOM 970 O THR A 64 0.048 -5.558 -3.401 1.00 1.00 O ATOM 971 CB THR A 64 1.490 -4.587 -6.212 1.00 1.00 C ATOM 972 OG1 THR A 64 1.756 -3.247 -6.616 1.00 1.00 O ATOM 973 CG2 THR A 64 1.480 -5.376 -7.522 1.00 1.00 C ATOM 0 H THR A 64 0.433 -3.232 -3.935 1.00 1.00 H new ATOM 0 HA THR A 64 -0.642 -4.591 -6.348 1.00 1.00 H new ATOM 0 HB THR A 64 2.193 -5.047 -5.518 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.635 -3.204 -7.047 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.486 -5.397 -7.942 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.145 -6.395 -7.330 1.00 1.00 H new ATOM 0 HG23 THR A 64 0.802 -4.898 -8.229 1.00 1.00 H new ATOM 981 N VAL A 65 -0.667 -6.763 -5.176 1.00 1.00 N ATOM 982 CA VAL A 65 -0.984 -7.942 -4.389 1.00 1.00 C ATOM 983 C VAL A 65 -0.710 -9.195 -5.222 1.00 1.00 C ATOM 984 O VAL A 65 -1.380 -9.437 -6.226 1.00 1.00 O ATOM 985 CB VAL A 65 -2.427 -7.863 -3.885 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.416 -8.212 -4.999 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.633 -8.764 -2.666 1.00 1.00 C ATOM 0 H VAL A 65 -0.852 -6.854 -6.175 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.348 -7.993 -3.506 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.618 -6.835 -3.577 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.434 -8.148 -4.615 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.295 -7.511 -5.825 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.224 -9.225 -5.352 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.667 -8.689 -2.328 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.414 -9.797 -2.936 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.966 -8.449 -1.864 1.00 1.00 H new ATOM 997 N ASP A 66 0.275 -9.960 -4.777 1.00 1.00 N ATOM 998 CA ASP A 66 0.646 -11.182 -5.469 1.00 1.00 C ATOM 999 C ASP A 66 0.769 -12.321 -4.455 1.00 1.00 C ATOM 1000 O ASP A 66 1.518 -12.215 -3.485 1.00 1.00 O ATOM 1001 CB ASP A 66 1.996 -11.029 -6.173 1.00 1.00 C ATOM 1002 CG ASP A 66 2.622 -9.636 -6.075 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.870 -8.660 -6.282 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.839 -9.580 -5.793 1.00 1.00 O ATOM 0 H ASP A 66 0.828 -9.757 -3.945 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.125 -11.397 -6.209 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.692 -11.754 -5.752 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.870 -11.281 -7.226 1.00 1.00 H new ATOM 1009 N GLY A 67 0.022 -13.384 -4.714 1.00 1.00 N ATOM 1010 CA GLY A 67 0.037 -14.542 -3.835 1.00 1.00 C ATOM 1011 C GLY A 67 -1.363 -15.139 -3.691 1.00 1.00 C ATOM 1012 O GLY A 67 -2.043 -15.385 -4.687 1.00 1.00 O ATOM 0 H GLY A 67 -0.598 -13.468 -5.520 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.718 -15.295 -4.231 1.00 1.00 H new ATOM 0 HA3 GLY A 67 0.416 -14.254 -2.854 1.00 1.00 H new ATOM 1016 N ALA A 68 -1.754 -15.357 -2.444 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.062 -15.922 -2.157 1.00 1.00 C ATOM 1018 C ALA A 68 -4.028 -14.795 -1.784 1.00 1.00 C ATOM 1019 O ALA A 68 -4.978 -14.520 -2.515 1.00 1.00 O ATOM 1020 CB ALA A 68 -2.933 -16.970 -1.050 1.00 1.00 C ATOM 0 H ALA A 68 -1.188 -15.153 -1.621 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.465 -16.425 -3.036 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -3.914 -17.394 -0.834 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.259 -17.762 -1.376 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.534 -16.502 -0.150 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.752 -14.175 -0.646 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.585 -13.085 -0.167 1.00 1.00 C ATOM 1028 C ASP A 69 -4.978 -12.193 -1.346 1.00 1.00 C ATOM 1029 O ASP A 69 -6.049 -11.587 -1.341 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.833 -12.222 0.848 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.202 -12.474 2.311 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -4.274 -13.666 2.681 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.405 -11.470 3.027 1.00 1.00 O ATOM 0 H ASP A 69 -2.963 -14.407 -0.042 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.465 -13.518 0.309 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.763 -12.392 0.724 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -4.018 -11.173 0.618 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.092 -12.142 -2.329 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.333 -11.334 -3.513 1.00 1.00 C ATOM 1040 C GLU A 70 -5.598 -10.493 -3.333 1.00 1.00 C ATOM 1041 O GLU A 70 -5.519 -9.308 -3.013 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.430 -12.210 -4.764 1.00 1.00 C ATOM 1043 CG GLU A 70 -3.327 -13.270 -4.778 1.00 1.00 C ATOM 1044 CD GLU A 70 -3.423 -14.144 -6.030 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -4.271 -15.063 -6.017 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -2.647 -13.875 -6.972 1.00 1.00 O ATOM 0 H GLU A 70 -3.206 -12.647 -2.330 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.488 -10.659 -3.647 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.406 -12.695 -4.798 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -4.352 -11.587 -5.655 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -2.351 -12.785 -4.742 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.406 -13.894 -3.888 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.735 -11.139 -3.546 1.00 1.00 N ATOM 1054 CA ALA A 71 -8.015 -10.465 -3.411 1.00 1.00 C ATOM 1055 C ALA A 71 -8.120 -9.854 -2.013 1.00 1.00 C ATOM 1056 O ALA A 71 -8.103 -8.633 -1.862 1.00 1.00 O ATOM 1057 CB ALA A 71 -9.146 -11.454 -3.701 1.00 1.00 C ATOM 0 H ALA A 71 -6.796 -12.122 -3.811 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.099 -9.653 -4.133 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -10.106 -10.948 -3.600 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -9.043 -11.837 -4.716 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -9.096 -12.282 -2.994 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.226 -10.730 -1.025 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.334 -10.292 0.356 1.00 1.00 C ATOM 1065 C GLU A 72 -7.289 -9.214 0.654 1.00 1.00 C ATOM 1066 O GLU A 72 -7.622 -8.146 1.164 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.193 -11.473 1.319 1.00 1.00 C ATOM 1068 CG GLU A 72 -7.390 -11.077 2.559 1.00 1.00 C ATOM 1069 CD GLU A 72 -8.113 -9.989 3.356 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -9.028 -9.371 2.771 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.734 -9.800 4.532 1.00 1.00 O ATOM 0 H GLU A 72 -8.239 -11.742 -1.154 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.325 -9.862 0.504 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -9.181 -11.823 1.618 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -7.701 -12.303 0.812 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -7.234 -11.952 3.190 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -6.405 -10.720 2.260 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.046 -9.533 0.323 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.951 -8.605 0.549 1.00 1.00 C ATOM 1080 C GLY A 73 -5.290 -7.214 0.010 1.00 1.00 C ATOM 1081 O GLY A 73 -5.643 -6.317 0.774 1.00 1.00 O ATOM 0 H GLY A 73 -5.773 -10.420 -0.100 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.737 -8.543 1.616 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.049 -8.977 0.064 1.00 1.00 H new ATOM 1085 N MET A 74 -5.172 -7.078 -1.303 1.00 1.00 N ATOM 1086 CA MET A 74 -5.462 -5.812 -1.953 1.00 1.00 C ATOM 1087 C MET A 74 -6.875 -5.332 -1.615 1.00 1.00 C ATOM 1088 O MET A 74 -7.120 -4.131 -1.517 1.00 1.00 O ATOM 1089 CB MET A 74 -5.326 -5.973 -3.469 1.00 1.00 C ATOM 1090 CG MET A 74 -6.204 -7.116 -3.980 1.00 1.00 C ATOM 1091 SD MET A 74 -7.425 -6.486 -5.120 1.00 1.00 S ATOM 1092 CE MET A 74 -8.911 -7.128 -4.368 1.00 1.00 C ATOM 0 H MET A 74 -4.879 -7.824 -1.934 1.00 1.00 H new ATOM 0 HA MET A 74 -4.751 -5.069 -1.592 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.608 -5.044 -3.964 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.285 -6.167 -3.726 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.587 -7.867 -4.474 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.697 -7.609 -3.142 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.385 -7.838 -5.046 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.658 -7.631 -3.435 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.599 -6.308 -4.163 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.767 -6.297 -1.446 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.150 -5.989 -1.122 1.00 1.00 C ATOM 1104 C ALA A 75 -9.186 -4.952 0.003 1.00 1.00 C ATOM 1105 O ALA A 75 -9.761 -3.877 -0.157 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.887 -7.277 -0.751 1.00 1.00 C ATOM 0 H ALA A 75 -7.559 -7.292 -1.527 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.660 -5.559 -1.984 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.924 -7.046 -0.508 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.857 -7.969 -1.593 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.406 -7.736 0.113 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.564 -5.312 1.116 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.518 -4.427 2.267 1.00 1.00 C ATOM 1114 C ALA A 76 -7.866 -3.103 1.862 1.00 1.00 C ATOM 1115 O ALA A 76 -8.470 -2.041 2.001 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.773 -5.116 3.413 1.00 1.00 C ATOM 0 H ALA A 76 -8.088 -6.205 1.245 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.525 -4.205 2.619 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.739 -4.451 4.276 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.292 -6.036 3.683 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.757 -5.352 3.097 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.641 -3.211 1.368 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.900 -2.036 0.941 1.00 1.00 C ATOM 1124 C ILE A 77 -6.806 -1.152 0.080 1.00 1.00 C ATOM 1125 O ILE A 77 -7.043 0.009 0.412 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.601 -2.445 0.245 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.401 -2.271 1.179 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.419 -1.684 -1.069 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.482 -0.943 1.934 1.00 1.00 C ATOM 0 H ILE A 77 -6.143 -4.094 1.254 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.599 -1.442 1.804 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.666 -3.504 -0.003 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.367 -3.096 1.890 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.477 -2.309 0.601 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.488 -1.994 -1.543 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.255 -1.901 -1.734 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.385 -0.613 -0.868 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.618 -0.844 2.591 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.492 -0.119 1.221 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.395 -0.918 2.530 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.288 -1.735 -1.007 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.162 -1.016 -1.918 1.00 1.00 C ATOM 1143 C VAL A 78 -9.276 -0.336 -1.118 1.00 1.00 C ATOM 1144 O VAL A 78 -9.406 0.887 -1.143 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.693 -1.965 -2.994 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.381 -1.189 -4.119 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.573 -2.851 -3.544 1.00 1.00 C ATOM 0 H VAL A 78 -7.090 -2.698 -1.278 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.610 -0.233 -2.439 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.437 -2.613 -2.531 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.749 -1.887 -4.870 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.217 -0.621 -3.711 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.668 -0.505 -4.578 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -7.977 -3.516 -4.307 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.796 -2.225 -3.983 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.147 -3.444 -2.734 1.00 1.00 H new ATOM 1157 N GLU A 79 -10.051 -1.159 -0.427 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.149 -0.653 0.378 1.00 1.00 C ATOM 1159 C GLU A 79 -10.647 0.420 1.346 1.00 1.00 C ATOM 1160 O GLU A 79 -11.287 1.457 1.515 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.846 -1.788 1.132 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.174 -2.154 0.466 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.347 -1.923 1.421 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.855 -0.781 1.429 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -14.710 -2.893 2.121 1.00 1.00 O ATOM 0 H GLU A 79 -9.940 -2.173 -0.408 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.883 -0.200 -0.289 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.196 -2.663 1.161 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -12.023 -1.488 2.165 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.310 -1.556 -0.435 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.154 -3.198 0.155 1.00 1.00 H new ATOM 1172 N THR A 80 -9.507 0.134 1.957 1.00 1.00 N ATOM 1173 CA THR A 80 -8.911 1.062 2.903 1.00 1.00 C ATOM 1174 C THR A 80 -8.493 2.352 2.194 1.00 1.00 C ATOM 1175 O THR A 80 -8.837 3.447 2.637 1.00 1.00 O ATOM 1176 CB THR A 80 -7.751 0.347 3.599 1.00 1.00 C ATOM 1177 OG1 THR A 80 -8.100 0.384 4.981 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.445 1.141 3.524 1.00 1.00 C ATOM 0 H THR A 80 -8.980 -0.728 1.815 1.00 1.00 H new ATOM 0 HA THR A 80 -9.629 1.366 3.665 1.00 1.00 H new ATOM 0 HB THR A 80 -7.606 -0.635 3.148 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.402 -0.060 5.507 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.654 0.590 4.033 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.169 1.290 2.480 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.580 2.109 4.006 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.758 2.180 1.106 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.290 3.316 0.331 1.00 1.00 C ATOM 1188 C LEU A 81 -8.417 4.343 0.208 1.00 1.00 C ATOM 1189 O LEU A 81 -8.195 5.539 0.390 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.730 2.853 -1.015 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.263 2.418 -1.017 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.367 3.512 -1.603 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.813 1.998 0.384 1.00 1.00 C ATOM 0 H LEU A 81 -7.475 1.270 0.742 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.463 3.810 0.841 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.336 2.020 -1.371 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.849 3.664 -1.734 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.167 1.544 -1.661 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.330 3.177 -1.593 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.671 3.720 -2.629 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.462 4.419 -1.005 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.767 1.694 0.354 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.927 2.838 1.070 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.424 1.163 0.727 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.603 3.839 -0.100 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.765 4.697 -0.250 1.00 1.00 C ATOM 1207 C GLN A 82 -11.567 4.737 1.053 1.00 1.00 C ATOM 1208 O GLN A 82 -12.411 5.612 1.240 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.640 4.237 -1.418 1.00 1.00 C ATOM 1210 CG GLN A 82 -11.094 2.949 -2.038 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.943 1.743 -1.632 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -12.049 0.758 -2.344 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -12.540 1.875 -0.450 1.00 1.00 N ATOM 0 H GLN A 82 -9.784 2.846 -0.250 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.420 5.707 -0.473 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.660 4.074 -1.071 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -11.683 5.020 -2.175 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -11.082 3.041 -3.124 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -10.063 2.796 -1.719 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -12.409 2.727 0.095 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -13.129 1.124 -0.089 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.275 3.778 1.919 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.959 3.693 3.199 1.00 1.00 C ATOM 1224 C LYS A 83 -11.350 4.710 4.166 1.00 1.00 C ATOM 1225 O LYS A 83 -12.063 5.312 4.968 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.936 2.256 3.723 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.361 2.198 5.140 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.461 0.785 5.716 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.505 -0.260 4.599 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.774 -1.604 5.157 1.00 1.00 N ATOM 0 H LYS A 83 -10.575 3.054 1.760 1.00 1.00 H new ATOM 0 HA LYS A 83 -13.012 3.951 3.087 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.947 1.848 3.720 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.338 1.632 3.058 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.318 2.516 5.126 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.898 2.895 5.783 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.608 0.592 6.366 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.356 0.702 6.332 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.279 0.002 3.878 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.557 -0.266 4.061 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.801 -2.301 4.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -11.021 -1.858 5.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.690 -1.598 5.650 1.00 1.00 H new ATOM 1244 N GLU A 84 -10.040 4.871 4.058 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.328 5.806 4.913 1.00 1.00 C ATOM 1246 C GLU A 84 -9.106 7.131 4.182 1.00 1.00 C ATOM 1247 O GLU A 84 -8.288 7.948 4.603 1.00 1.00 O ATOM 1248 CB GLU A 84 -8.000 5.212 5.387 1.00 1.00 C ATOM 1249 CG GLU A 84 -8.117 3.701 5.592 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.954 3.378 6.832 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.336 4.345 7.525 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -9.192 2.172 7.058 1.00 1.00 O ATOM 0 H GLU A 84 -9.452 4.370 3.392 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.938 5.999 5.795 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.221 5.424 4.655 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.698 5.687 6.320 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.573 3.246 4.713 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.123 3.267 5.697 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.848 7.304 3.098 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.743 8.517 2.305 1.00 1.00 C ATOM 1261 C GLY A 85 -8.281 8.844 1.994 1.00 1.00 C ATOM 1262 O GLY A 85 -7.944 9.993 1.713 1.00 1.00 O ATOM 0 H GLY A 85 -10.524 6.624 2.750 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.298 8.397 1.375 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -10.199 9.348 2.843 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.451 7.812 2.056 1.00 1.00 N ATOM 1267 CA LEU A 86 -6.033 7.975 1.785 1.00 1.00 C ATOM 1268 C LEU A 86 -5.768 7.712 0.301 1.00 1.00 C ATOM 1269 O LEU A 86 -4.636 7.841 -0.163 1.00 1.00 O ATOM 1270 CB LEU A 86 -5.204 7.096 2.723 1.00 1.00 C ATOM 1271 CG LEU A 86 -3.961 7.749 3.331 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -4.167 8.041 4.819 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -2.716 6.897 3.080 1.00 1.00 C ATOM 0 H LEU A 86 -7.734 6.860 2.290 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.722 9.000 1.988 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.847 6.759 3.536 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.892 6.207 2.174 1.00 1.00 H new ATOM 0 HG LEU A 86 -3.801 8.706 2.835 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -3.269 8.505 5.227 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -5.013 8.717 4.943 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -4.366 7.109 5.348 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -1.847 7.384 3.522 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.851 5.914 3.532 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -2.562 6.785 2.007 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.831 7.349 -0.402 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.727 7.067 -1.823 1.00 1.00 C ATOM 1287 C ALA A 87 -8.131 6.942 -2.418 1.00 1.00 C ATOM 1288 O ALA A 87 -9.100 6.725 -1.691 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.891 5.803 -2.033 1.00 1.00 C ATOM 0 H ALA A 87 -7.768 7.244 -0.014 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.221 7.883 -2.340 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.813 5.591 -3.099 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.894 5.953 -1.619 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -6.370 4.963 -1.530 1.00 1.00 H new ATOM 1295 N GLU A 88 -8.197 7.085 -3.733 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.467 6.991 -4.434 1.00 1.00 C ATOM 1297 C GLU A 88 -9.795 5.529 -4.744 1.00 1.00 C ATOM 1298 O GLU A 88 -10.621 4.918 -4.068 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.452 7.833 -5.711 1.00 1.00 C ATOM 1300 CG GLU A 88 -9.502 9.326 -5.384 1.00 1.00 C ATOM 1301 CD GLU A 88 -10.465 10.060 -6.320 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -10.173 10.079 -7.535 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -11.473 10.586 -5.798 1.00 1.00 O ATOM 0 H GLU A 88 -7.392 7.265 -4.332 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.248 7.388 -3.786 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -8.552 7.613 -6.285 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -10.303 7.566 -6.337 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -9.817 9.465 -4.350 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -8.504 9.755 -5.473 1.00 1.00 H new ATOM 1310 N GLN A 89 -9.130 5.011 -5.766 1.00 1.00 N ATOM 1311 CA GLN A 89 -9.341 3.632 -6.174 1.00 1.00 C ATOM 1312 C GLN A 89 -8.144 3.129 -6.983 1.00 1.00 C ATOM 1313 O GLN A 89 -8.248 2.923 -8.191 1.00 1.00 O ATOM 1314 CB GLN A 89 -10.640 3.489 -6.970 1.00 1.00 C ATOM 1315 CG GLN A 89 -11.846 3.377 -6.036 1.00 1.00 C ATOM 1316 CD GLN A 89 -12.960 2.545 -6.675 1.00 1.00 C ATOM 1317 OE1 GLN A 89 -12.800 1.372 -6.974 1.00 1.00 O ATOM 1318 NE2 GLN A 89 -14.093 3.213 -6.867 1.00 1.00 N ATOM 0 H GLN A 89 -8.445 5.521 -6.324 1.00 1.00 H new ATOM 0 HA GLN A 89 -9.433 3.018 -5.278 1.00 1.00 H new ATOM 0 HB2 GLN A 89 -10.764 4.349 -7.628 1.00 1.00 H new ATOM 0 HB3 GLN A 89 -10.585 2.606 -7.607 1.00 1.00 H new ATOM 0 HG2 GLN A 89 -11.540 2.920 -5.095 1.00 1.00 H new ATOM 0 HG3 GLN A 89 -12.221 4.373 -5.800 1.00 1.00 H new ATOM 0 HE21 GLN A 89 -14.160 4.193 -6.594 1.00 1.00 H new ATOM 0 HE22 GLN A 89 -14.896 2.745 -7.288 1.00 1.00 H new TER 1327 GLN A 89