USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.35) USER MOD Set 2.1: A 7 THR OG1 : rot 127:sc= 1.17 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.975 USER MOD Single : A 1 MET CE :methyl -113:sc= -2.97! (180deg=-3.48!) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.934 (180deg=0.251) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.628 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00777 USER MOD Single : A 25 ASN : amide:sc= -2.23! C(o=-2.2!,f=-7.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.05 (180deg=1.05) USER MOD Single : A 31 GLN : amide:sc= -0.295 K(o=-0.3,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.406 K(o=-0.41,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc= -0.827 K(o=-0.83,f=-1.7) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -150:sc= -0.195 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.235 F(o=-0.86,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.865 -9.126 -1.097 1.00 0.00 N ATOM 2 CA MET A 1 11.686 -7.765 -1.620 1.00 0.00 C ATOM 3 C MET A 1 10.217 -7.363 -1.664 1.00 0.00 C ATOM 4 O MET A 1 9.907 -6.175 -1.610 1.00 0.00 O ATOM 5 CB MET A 1 12.328 -7.589 -2.988 1.00 0.00 C ATOM 6 CG MET A 1 12.222 -6.111 -3.344 1.00 0.00 C ATOM 7 SD MET A 1 13.084 -5.641 -4.850 1.00 0.00 S ATOM 8 CE MET A 1 12.633 -3.892 -4.853 1.00 0.00 C ATOM 0 H1 MET A 1 12.768 -9.185 -0.584 1.00 0.00 H new ATOM 0 H2 MET A 1 11.084 -9.355 -0.450 1.00 0.00 H new ATOM 0 H3 MET A 1 11.870 -9.803 -1.886 1.00 0.00 H new ATOM 0 HA MET A 1 12.197 -7.100 -0.924 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.370 -7.907 -2.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.822 -8.202 -3.733 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.169 -5.850 -3.447 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.617 -5.522 -2.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.976 -3.687 -5.698 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.117 -3.648 -3.925 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.534 -3.284 -4.938 1.00 0.00 H new ATOM 18 N GLN A 2 9.315 -8.325 -1.876 1.00 0.00 N ATOM 19 CA GLN A 2 7.926 -8.003 -2.116 1.00 0.00 C ATOM 20 C GLN A 2 7.218 -7.985 -0.778 1.00 0.00 C ATOM 21 O GLN A 2 7.805 -8.349 0.239 1.00 0.00 O ATOM 22 CB GLN A 2 7.308 -9.067 -3.025 1.00 0.00 C ATOM 23 CG GLN A 2 7.808 -8.889 -4.458 1.00 0.00 C ATOM 24 CD GLN A 2 7.179 -9.918 -5.391 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.057 -10.365 -5.164 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.911 -10.304 -6.436 1.00 0.00 N ATOM 0 H GLN A 2 9.529 -9.322 -1.884 1.00 0.00 H new ATOM 0 HA GLN A 2 7.831 -7.033 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.567 -10.062 -2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.221 -8.992 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.571 -7.884 -4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.893 -8.987 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.838 -9.905 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.544 -10.998 -7.087 1.00 0.00 H new ATOM 35 N ILE A 3 5.996 -7.460 -0.753 1.00 0.00 N ATOM 36 CA ILE A 3 5.358 -7.174 0.511 1.00 0.00 C ATOM 37 C ILE A 3 3.925 -7.680 0.529 1.00 0.00 C ATOM 38 O ILE A 3 3.424 -8.181 -0.475 1.00 0.00 O ATOM 39 CB ILE A 3 5.409 -5.666 0.764 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.643 -4.936 -0.344 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.866 -5.206 0.783 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.607 -3.433 -0.074 1.00 0.00 C ATOM 0 H ILE A 3 5.444 -7.231 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 3 5.892 -7.693 1.307 1.00 0.00 H new ATOM 0 HB ILE A 3 4.948 -5.438 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.117 -5.126 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.626 -5.324 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.906 -4.132 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.402 -5.727 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.331 -5.431 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.059 -2.933 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.112 -3.246 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.625 -3.046 -0.036 1.00 0.00 H new ATOM 54 N PHE A 4 3.260 -7.514 1.675 1.00 0.00 N ATOM 55 CA PHE A 4 1.898 -7.968 1.854 1.00 0.00 C ATOM 56 C PHE A 4 1.045 -6.824 2.383 1.00 0.00 C ATOM 57 O PHE A 4 1.144 -6.458 3.552 1.00 0.00 O ATOM 58 CB PHE A 4 1.886 -9.158 2.810 1.00 0.00 C ATOM 59 CG PHE A 4 2.591 -10.375 2.256 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.889 -11.291 1.461 1.00 0.00 C ATOM 61 CD2 PHE A 4 3.948 -10.586 2.534 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.546 -12.414 0.941 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.603 -11.710 2.015 1.00 0.00 C ATOM 64 CZ PHE A 4 3.902 -12.624 1.218 1.00 0.00 C ATOM 0 H PHE A 4 3.658 -7.061 2.497 1.00 0.00 H new ATOM 0 HA PHE A 4 1.479 -8.289 0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.360 -8.867 3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.853 -9.419 3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.842 -11.131 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.489 -9.882 3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.006 -13.118 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.649 -11.872 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.407 -13.490 0.817 1.00 0.00 H new ATOM 74 N VAL A 5 0.213 -6.252 1.510 1.00 0.00 N ATOM 75 CA VAL A 5 -0.664 -5.158 1.876 1.00 0.00 C ATOM 76 C VAL A 5 -2.017 -5.735 2.268 1.00 0.00 C ATOM 77 O VAL A 5 -2.664 -6.399 1.463 1.00 0.00 O ATOM 78 CB VAL A 5 -0.802 -4.203 0.689 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.676 -3.015 1.080 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.577 -3.696 0.271 1.00 0.00 C ATOM 0 H VAL A 5 0.135 -6.539 0.534 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.255 -4.601 2.719 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.263 -4.736 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.771 -2.338 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.664 -3.371 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.218 -2.486 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.474 -3.016 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.039 -3.169 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.203 -4.540 -0.017 1.00 0.00 H new ATOM 90 N LYS A 6 -2.429 -5.513 3.517 1.00 0.00 N ATOM 91 CA LYS A 6 -3.636 -6.123 4.038 1.00 0.00 C ATOM 92 C LYS A 6 -4.760 -5.098 4.100 1.00 0.00 C ATOM 93 O LYS A 6 -4.644 -4.086 4.790 1.00 0.00 O ATOM 94 CB LYS A 6 -3.332 -6.710 5.415 1.00 0.00 C ATOM 95 CG LYS A 6 -4.460 -7.635 5.863 1.00 0.00 C ATOM 96 CD LYS A 6 -4.026 -8.359 7.136 1.00 0.00 C ATOM 97 CE LYS A 6 -5.111 -9.340 7.569 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.680 -10.121 8.740 1.00 0.00 N ATOM 0 H LYS A 6 -1.939 -4.914 4.181 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.968 -6.925 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.393 -7.262 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.204 -5.906 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.368 -7.061 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.691 -8.356 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.091 -8.891 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.838 -7.636 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.025 -8.795 7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.347 -10.014 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.436 -10.781 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.821 -10.658 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.478 -9.477 9.531 1.00 0.00 H new ATOM 112 N THR A 7 -5.823 -5.335 3.326 1.00 0.00 N ATOM 113 CA THR A 7 -6.963 -4.439 3.265 1.00 0.00 C ATOM 114 C THR A 7 -7.649 -4.373 4.625 1.00 0.00 C ATOM 115 O THR A 7 -7.288 -5.107 5.543 1.00 0.00 O ATOM 116 CB THR A 7 -7.944 -4.940 2.206 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.377 -6.235 2.554 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.273 -4.983 0.835 1.00 0.00 C ATOM 0 H THR A 7 -5.910 -6.156 2.727 1.00 0.00 H new ATOM 0 HA THR A 7 -6.623 -3.438 2.998 1.00 0.00 H new ATOM 0 HB THR A 7 -8.794 -4.260 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.357 -6.261 2.563 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.985 -5.342 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.938 -3.982 0.562 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.416 -5.655 0.870 1.00 0.00 H new ATOM 126 N ALA A 8 -8.668 -3.517 4.738 1.00 0.00 N ATOM 127 CA ALA A 8 -9.432 -3.392 5.965 1.00 0.00 C ATOM 128 C ALA A 8 -10.348 -4.600 6.140 1.00 0.00 C ATOM 129 O ALA A 8 -10.947 -4.773 7.200 1.00 0.00 O ATOM 130 CB ALA A 8 -10.254 -2.105 5.916 1.00 0.00 C ATOM 0 H ALA A 8 -8.978 -2.901 3.986 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.751 -3.353 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.830 -2.006 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.586 -1.250 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.933 -2.139 5.064 1.00 0.00 H new ATOM 136 N THR A 9 -10.452 -5.441 5.106 1.00 0.00 N ATOM 137 CA THR A 9 -11.275 -6.636 5.164 1.00 0.00 C ATOM 138 C THR A 9 -10.415 -7.842 5.529 1.00 0.00 C ATOM 139 O THR A 9 -10.932 -8.945 5.696 1.00 0.00 O ATOM 140 CB THR A 9 -11.969 -6.846 3.819 1.00 0.00 C ATOM 141 OG1 THR A 9 -11.015 -6.936 2.784 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.916 -5.680 3.542 1.00 0.00 C ATOM 0 H THR A 9 -9.970 -5.308 4.217 1.00 0.00 H new ATOM 0 HA THR A 9 -12.039 -6.517 5.933 1.00 0.00 H new ATOM 0 HB THR A 9 -12.536 -7.776 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.473 -7.072 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.410 -5.832 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.666 -5.625 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.349 -4.749 3.515 1.00 0.00 H new ATOM 150 N GLY A 10 -9.104 -7.627 5.667 1.00 0.00 N ATOM 151 CA GLY A 10 -8.183 -8.672 6.068 1.00 0.00 C ATOM 152 C GLY A 10 -7.626 -9.417 4.859 1.00 0.00 C ATOM 153 O GLY A 10 -6.780 -10.296 5.015 1.00 0.00 O ATOM 0 H GLY A 10 -8.661 -6.723 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.363 -8.237 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.692 -9.375 6.727 1.00 0.00 H new ATOM 157 N LYS A 11 -8.104 -9.087 3.656 1.00 0.00 N ATOM 158 CA LYS A 11 -7.609 -9.726 2.450 1.00 0.00 C ATOM 159 C LYS A 11 -6.220 -9.193 2.120 1.00 0.00 C ATOM 160 O LYS A 11 -6.062 -8.021 1.786 1.00 0.00 O ATOM 161 CB LYS A 11 -8.576 -9.489 1.293 1.00 0.00 C ATOM 162 CG LYS A 11 -9.876 -10.247 1.560 1.00 0.00 C ATOM 163 CD LYS A 11 -10.721 -10.290 0.289 1.00 0.00 C ATOM 164 CE LYS A 11 -11.964 -11.140 0.538 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.758 -11.293 -0.692 1.00 0.00 N ATOM 0 H LYS A 11 -8.828 -8.386 3.499 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.537 -10.801 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.778 -8.423 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.131 -9.825 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.654 -11.260 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.433 -9.761 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.009 -9.281 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.140 -10.707 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.669 -12.122 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.575 -10.678 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.597 -11.875 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.059 -10.356 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.180 -11.756 -1.423 1.00 0.00 H new ATOM 179 N THR A 12 -5.210 -10.054 2.252 1.00 0.00 N ATOM 180 CA THR A 12 -3.832 -9.692 1.986 1.00 0.00 C ATOM 181 C THR A 12 -3.588 -9.622 0.481 1.00 0.00 C ATOM 182 O THR A 12 -4.104 -10.447 -0.272 1.00 0.00 O ATOM 183 CB THR A 12 -2.915 -10.728 2.634 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.328 -10.950 3.964 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.475 -10.224 2.627 1.00 0.00 C ATOM 0 H THR A 12 -5.333 -11.022 2.548 1.00 0.00 H new ATOM 0 HA THR A 12 -3.620 -8.709 2.408 1.00 0.00 H new ATOM 0 HB THR A 12 -2.971 -11.660 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.742 -11.616 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.827 -10.968 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.154 -10.053 1.599 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.414 -9.290 3.186 1.00 0.00 H new ATOM 193 N ILE A 13 -2.788 -8.643 0.050 1.00 0.00 N ATOM 194 CA ILE A 13 -2.460 -8.454 -1.351 1.00 0.00 C ATOM 195 C ILE A 13 -0.947 -8.376 -1.522 1.00 0.00 C ATOM 196 O ILE A 13 -0.322 -7.401 -1.109 1.00 0.00 O ATOM 197 CB ILE A 13 -3.138 -7.185 -1.877 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.633 -7.217 -1.548 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.932 -7.094 -3.389 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.310 -5.928 -2.011 1.00 0.00 C ATOM 0 H ILE A 13 -2.352 -7.961 0.671 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.827 -9.303 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.696 -6.310 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.100 -8.074 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.773 -7.343 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.413 -6.192 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.865 -7.056 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.371 -7.969 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.372 -5.968 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.855 -5.076 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.187 -5.819 -3.089 1.00 0.00 H new ATOM 212 N THR A 14 -0.359 -9.418 -2.115 1.00 0.00 N ATOM 213 CA THR A 14 1.067 -9.462 -2.387 1.00 0.00 C ATOM 214 C THR A 14 1.397 -8.459 -3.487 1.00 0.00 C ATOM 215 O THR A 14 0.776 -8.486 -4.548 1.00 0.00 O ATOM 216 CB THR A 14 1.452 -10.879 -2.810 1.00 0.00 C ATOM 217 OG1 THR A 14 0.945 -11.800 -1.869 1.00 0.00 O ATOM 218 CG2 THR A 14 2.972 -11.005 -2.874 1.00 0.00 C ATOM 0 H THR A 14 -0.864 -10.251 -2.417 1.00 0.00 H new ATOM 0 HA THR A 14 1.633 -9.198 -1.493 1.00 0.00 H new ATOM 0 HB THR A 14 1.033 -11.089 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.536 -11.828 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.241 -12.017 -3.176 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.366 -10.293 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.396 -10.795 -1.892 1.00 0.00 H new ATOM 226 N LEU A 15 2.317 -7.527 -3.213 1.00 0.00 N ATOM 227 CA LEU A 15 2.639 -6.477 -4.165 1.00 0.00 C ATOM 228 C LEU A 15 4.110 -6.539 -4.568 1.00 0.00 C ATOM 229 O LEU A 15 4.941 -7.034 -3.810 1.00 0.00 O ATOM 230 CB LEU A 15 2.301 -5.124 -3.541 1.00 0.00 C ATOM 231 CG LEU A 15 2.023 -4.093 -4.632 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.743 -4.465 -5.379 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.855 -2.723 -3.980 1.00 0.00 C ATOM 0 H LEU A 15 2.845 -7.485 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 15 2.049 -6.616 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.430 -5.222 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.128 -4.788 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 15 2.852 -4.070 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.548 -3.727 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.860 -5.449 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.093 -4.485 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.656 -1.976 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.021 -2.754 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.768 -2.460 -3.446 1.00 0.00 H new ATOM 245 N GLU A 16 4.432 -5.982 -5.742 1.00 0.00 N ATOM 246 CA GLU A 16 5.785 -5.986 -6.276 1.00 0.00 C ATOM 247 C GLU A 16 6.128 -4.615 -6.857 1.00 0.00 C ATOM 248 O GLU A 16 5.628 -4.254 -7.921 1.00 0.00 O ATOM 249 CB GLU A 16 5.891 -7.070 -7.349 1.00 0.00 C ATOM 250 CG GLU A 16 7.301 -7.099 -7.937 1.00 0.00 C ATOM 251 CD GLU A 16 7.421 -8.168 -9.017 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.483 -8.259 -9.840 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.467 -8.853 -9.026 1.00 0.00 O ATOM 0 H GLU A 16 3.754 -5.516 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 16 6.496 -6.199 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.649 -8.042 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.164 -6.881 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.543 -6.123 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.025 -7.294 -7.146 1.00 0.00 H new ATOM 260 N VAL A 17 6.959 -3.840 -6.151 1.00 0.00 N ATOM 261 CA VAL A 17 7.390 -2.538 -6.640 1.00 0.00 C ATOM 262 C VAL A 17 8.903 -2.388 -6.515 1.00 0.00 C ATOM 263 O VAL A 17 9.541 -3.117 -5.758 1.00 0.00 O ATOM 264 CB VAL A 17 6.674 -1.431 -5.864 1.00 0.00 C ATOM 265 CG1 VAL A 17 5.169 -1.522 -6.100 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.963 -1.557 -4.368 1.00 0.00 C ATOM 0 H VAL A 17 7.343 -4.097 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 17 7.130 -2.456 -7.695 1.00 0.00 H new ATOM 0 HB VAL A 17 7.041 -0.467 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.665 -0.731 -5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.960 -1.408 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.805 -2.492 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.447 -0.762 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.613 -2.525 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.036 -1.474 -4.196 1.00 0.00 H new ATOM 276 N GLU A 18 9.464 -1.388 -7.204 1.00 0.00 N ATOM 277 CA GLU A 18 10.878 -1.063 -7.105 1.00 0.00 C ATOM 278 C GLU A 18 11.102 -0.179 -5.881 1.00 0.00 C ATOM 279 O GLU A 18 10.154 0.403 -5.358 1.00 0.00 O ATOM 280 CB GLU A 18 11.335 -0.354 -8.380 1.00 0.00 C ATOM 281 CG GLU A 18 11.260 -1.299 -9.581 1.00 0.00 C ATOM 282 CD GLU A 18 11.693 -2.713 -9.209 1.00 0.00 C ATOM 283 OE1 GLU A 18 12.907 -2.886 -8.960 1.00 0.00 O ATOM 284 OE2 GLU A 18 10.827 -3.613 -9.264 1.00 0.00 O ATOM 0 H GLU A 18 8.945 -0.786 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 18 11.464 -1.975 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.710 0.521 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.357 0.005 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.240 -1.319 -9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.896 -0.922 -10.382 1.00 0.00 H new ATOM 291 N PRO A 19 12.336 -0.148 -5.365 1.00 0.00 N ATOM 292 CA PRO A 19 12.674 0.545 -4.139 1.00 0.00 C ATOM 293 C PRO A 19 12.406 2.041 -4.239 1.00 0.00 C ATOM 294 O PRO A 19 12.223 2.701 -3.219 1.00 0.00 O ATOM 295 CB PRO A 19 14.166 0.290 -3.906 1.00 0.00 C ATOM 296 CG PRO A 19 14.537 -0.853 -4.854 1.00 0.00 C ATOM 297 CD PRO A 19 13.489 -0.781 -5.960 1.00 0.00 C ATOM 0 HA PRO A 19 12.061 0.179 -3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.755 1.183 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.361 0.019 -2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.544 -0.729 -5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.512 -1.816 -4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.856 -0.206 -6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.242 -1.776 -6.331 1.00 0.00 H new ATOM 305 N SER A 20 12.381 2.577 -5.462 1.00 0.00 N ATOM 306 CA SER A 20 12.281 4.011 -5.671 1.00 0.00 C ATOM 307 C SER A 20 11.056 4.359 -6.508 1.00 0.00 C ATOM 308 O SER A 20 11.021 5.411 -7.142 1.00 0.00 O ATOM 309 CB SER A 20 13.560 4.512 -6.338 1.00 0.00 C ATOM 310 OG SER A 20 14.674 4.162 -5.546 1.00 0.00 O ATOM 0 H SER A 20 12.429 2.031 -6.322 1.00 0.00 H new ATOM 0 HA SER A 20 12.163 4.504 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.658 4.078 -7.333 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.517 5.594 -6.465 1.00 0.00 H new ATOM 0 HG SER A 20 15.494 4.482 -5.976 1.00 0.00 H new ATOM 316 N ASP A 21 10.056 3.475 -6.525 1.00 0.00 N ATOM 317 CA ASP A 21 8.849 3.718 -7.298 1.00 0.00 C ATOM 318 C ASP A 21 7.939 4.664 -6.525 1.00 0.00 C ATOM 319 O ASP A 21 6.924 5.116 -7.051 1.00 0.00 O ATOM 320 CB ASP A 21 8.124 2.397 -7.556 1.00 0.00 C ATOM 321 CG ASP A 21 8.646 1.699 -8.806 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.268 0.522 -8.994 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.354 2.373 -9.586 1.00 0.00 O ATOM 0 H ASP A 21 10.063 2.592 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 21 9.114 4.169 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.248 1.740 -6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.056 2.584 -7.664 1.00 0.00 H new ATOM 328 N THR A 22 8.327 4.989 -5.289 1.00 0.00 N ATOM 329 CA THR A 22 7.612 5.928 -4.443 1.00 0.00 C ATOM 330 C THR A 22 6.348 5.272 -3.895 1.00 0.00 C ATOM 331 O THR A 22 5.794 4.368 -4.518 1.00 0.00 O ATOM 332 CB THR A 22 7.290 7.195 -5.243 1.00 0.00 C ATOM 333 OG1 THR A 22 8.436 7.620 -5.949 1.00 0.00 O ATOM 334 CG2 THR A 22 6.832 8.319 -4.316 1.00 0.00 C ATOM 0 H THR A 22 9.159 4.598 -4.848 1.00 0.00 H new ATOM 0 HA THR A 22 8.234 6.213 -3.594 1.00 0.00 H new ATOM 0 HB THR A 22 6.487 6.961 -5.942 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.224 8.429 -6.460 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.609 9.208 -4.905 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.937 8.006 -3.779 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.623 8.546 -3.601 1.00 0.00 H new ATOM 342 N ILE A 23 5.891 5.731 -2.727 1.00 0.00 N ATOM 343 CA ILE A 23 4.669 5.233 -2.122 1.00 0.00 C ATOM 344 C ILE A 23 3.510 5.386 -3.102 1.00 0.00 C ATOM 345 O ILE A 23 2.546 4.625 -3.050 1.00 0.00 O ATOM 346 CB ILE A 23 4.397 6.004 -0.826 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.463 5.670 0.224 1.00 0.00 C ATOM 348 CG2 ILE A 23 3.014 5.648 -0.281 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.377 4.208 0.661 1.00 0.00 C ATOM 0 H ILE A 23 6.360 6.455 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 23 4.776 4.175 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 23 4.433 7.071 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.453 5.872 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.337 6.318 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.832 6.202 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.254 5.909 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.968 4.578 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.147 4.005 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.395 4.014 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.528 3.561 -0.203 1.00 0.00 H new ATOM 361 N GLU A 24 3.598 6.379 -3.991 1.00 0.00 N ATOM 362 CA GLU A 24 2.552 6.645 -4.960 1.00 0.00 C ATOM 363 C GLU A 24 2.270 5.403 -5.795 1.00 0.00 C ATOM 364 O GLU A 24 1.113 5.046 -6.010 1.00 0.00 O ATOM 365 CB GLU A 24 2.987 7.797 -5.862 1.00 0.00 C ATOM 366 CG GLU A 24 1.885 8.101 -6.876 1.00 0.00 C ATOM 367 CD GLU A 24 2.357 9.120 -7.902 1.00 0.00 C ATOM 368 OE1 GLU A 24 2.253 10.328 -7.597 1.00 0.00 O ATOM 369 OE2 GLU A 24 2.806 8.673 -8.980 1.00 0.00 O ATOM 0 H GLU A 24 4.395 7.013 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 24 1.637 6.917 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.197 8.682 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.910 7.537 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.586 7.182 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.004 8.481 -6.359 1.00 0.00 H new ATOM 376 N ASN A 25 3.329 4.753 -6.284 1.00 0.00 N ATOM 377 CA ASN A 25 3.184 3.602 -7.154 1.00 0.00 C ATOM 378 C ASN A 25 2.561 2.430 -6.406 1.00 0.00 C ATOM 379 O ASN A 25 1.863 1.618 -7.008 1.00 0.00 O ATOM 380 CB ASN A 25 4.551 3.224 -7.713 1.00 0.00 C ATOM 381 CG ASN A 25 4.438 2.113 -8.746 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.459 0.936 -8.396 1.00 0.00 O ATOM 383 ND2 ASN A 25 4.357 2.485 -10.024 1.00 0.00 N ATOM 0 H ASN A 25 4.296 5.012 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 25 2.516 3.856 -7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.015 4.100 -8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.202 2.903 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.309 1.779 -10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.343 3.476 -10.267 1.00 0.00 H new ATOM 390 N VAL A 26 2.759 2.367 -5.086 1.00 0.00 N ATOM 391 CA VAL A 26 2.199 1.286 -4.295 1.00 0.00 C ATOM 392 C VAL A 26 0.678 1.325 -4.393 1.00 0.00 C ATOM 393 O VAL A 26 0.021 0.288 -4.323 1.00 0.00 O ATOM 394 CB VAL A 26 2.648 1.430 -2.837 1.00 0.00 C ATOM 395 CG1 VAL A 26 2.107 0.268 -2.007 1.00 0.00 C ATOM 396 CG2 VAL A 26 4.172 1.434 -2.753 1.00 0.00 C ATOM 0 H VAL A 26 3.299 3.049 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 26 2.553 0.327 -4.675 1.00 0.00 H new ATOM 0 HB VAL A 26 2.260 2.371 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.431 0.378 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.018 0.268 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.486 -0.672 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.479 1.537 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.561 0.499 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.566 2.269 -3.332 1.00 0.00 H new ATOM 406 N LYS A 27 0.121 2.522 -4.596 1.00 0.00 N ATOM 407 CA LYS A 27 -1.314 2.689 -4.727 1.00 0.00 C ATOM 408 C LYS A 27 -1.754 2.364 -6.148 1.00 0.00 C ATOM 409 O LYS A 27 -2.879 1.917 -6.361 1.00 0.00 O ATOM 410 CB LYS A 27 -1.688 4.129 -4.375 1.00 0.00 C ATOM 411 CG LYS A 27 -1.302 4.422 -2.925 1.00 0.00 C ATOM 412 CD LYS A 27 -1.781 5.816 -2.522 1.00 0.00 C ATOM 413 CE LYS A 27 -1.081 6.875 -3.369 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.484 8.230 -2.958 1.00 0.00 N ATOM 0 H LYS A 27 0.652 3.389 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.821 2.006 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.178 4.821 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.758 4.281 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.742 3.674 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.220 4.353 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.861 5.890 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.575 5.989 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.001 6.768 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.323 6.723 -4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.994 8.932 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.512 8.337 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.231 8.380 -1.961 1.00 0.00 H new ATOM 428 N ALA A 28 -0.865 2.575 -7.121 1.00 0.00 N ATOM 429 CA ALA A 28 -1.200 2.363 -8.516 1.00 0.00 C ATOM 430 C ALA A 28 -1.181 0.880 -8.870 1.00 0.00 C ATOM 431 O ALA A 28 -1.851 0.464 -9.813 1.00 0.00 O ATOM 432 CB ALA A 28 -0.210 3.126 -9.391 1.00 0.00 C ATOM 0 H ALA A 28 0.091 2.893 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.210 2.732 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.457 2.970 -10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.264 4.190 -9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.800 2.764 -9.198 1.00 0.00 H new ATOM 438 N LYS A 29 -0.439 0.072 -8.108 1.00 0.00 N ATOM 439 CA LYS A 29 -0.368 -1.353 -8.376 1.00 0.00 C ATOM 440 C LYS A 29 -1.647 -2.031 -7.907 1.00 0.00 C ATOM 441 O LYS A 29 -2.117 -2.974 -8.539 1.00 0.00 O ATOM 442 CB LYS A 29 0.828 -1.952 -7.639 1.00 0.00 C ATOM 443 CG LYS A 29 2.145 -1.438 -8.216 1.00 0.00 C ATOM 444 CD LYS A 29 2.409 -2.066 -9.584 1.00 0.00 C ATOM 445 CE LYS A 29 3.777 -1.612 -10.087 1.00 0.00 C ATOM 446 NZ LYS A 29 4.759 -2.707 -10.025 1.00 0.00 N ATOM 0 H LYS A 29 0.114 0.384 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.251 -1.511 -9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.769 -1.701 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.796 -3.039 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.110 -0.352 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.964 -1.674 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.377 -3.153 -9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.632 -1.771 -10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.690 -1.256 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.127 -0.772 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.691 -2.355 -10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.821 -3.063 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.460 -3.477 -10.657 1.00 0.00 H new ATOM 460 N ILE A 30 -2.232 -1.530 -6.817 1.00 0.00 N ATOM 461 CA ILE A 30 -3.434 -2.121 -6.263 1.00 0.00 C ATOM 462 C ILE A 30 -4.658 -1.526 -6.954 1.00 0.00 C ATOM 463 O ILE A 30 -5.744 -2.097 -6.890 1.00 0.00 O ATOM 464 CB ILE A 30 -3.474 -1.882 -4.751 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.261 -2.566 -4.116 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.749 -2.491 -4.159 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.137 -2.176 -2.644 1.00 0.00 C ATOM 0 H ILE A 30 -1.887 -0.717 -6.307 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.435 -3.197 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.459 -0.810 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.358 -3.648 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.355 -2.283 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.770 -2.317 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.621 -2.027 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.764 -3.563 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.269 -2.671 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.017 -1.096 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.036 -2.482 -2.109 1.00 0.00 H new ATOM 479 N GLN A 31 -4.484 -0.393 -7.640 1.00 0.00 N ATOM 480 CA GLN A 31 -5.583 0.225 -8.356 1.00 0.00 C ATOM 481 C GLN A 31 -6.100 -0.735 -9.420 1.00 0.00 C ATOM 482 O GLN A 31 -7.306 -0.846 -9.622 1.00 0.00 O ATOM 483 CB GLN A 31 -5.108 1.529 -8.995 1.00 0.00 C ATOM 484 CG GLN A 31 -6.260 2.172 -9.767 1.00 0.00 C ATOM 485 CD GLN A 31 -5.813 3.458 -10.449 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.275 4.353 -9.803 1.00 0.00 O ATOM 487 NE2 GLN A 31 -6.060 3.558 -11.756 1.00 0.00 N ATOM 0 H GLN A 31 -3.597 0.105 -7.710 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.394 0.451 -7.664 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.746 2.212 -8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.272 1.333 -9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.636 1.473 -10.514 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.084 2.385 -9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.509 2.787 -12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.799 4.405 -12.261 1.00 0.00 H new ATOM 496 N ASP A 32 -5.185 -1.447 -10.081 1.00 0.00 N ATOM 497 CA ASP A 32 -5.551 -2.417 -11.096 1.00 0.00 C ATOM 498 C ASP A 32 -5.999 -3.720 -10.445 1.00 0.00 C ATOM 499 O ASP A 32 -6.776 -4.473 -11.028 1.00 0.00 O ATOM 500 CB ASP A 32 -4.346 -2.673 -11.998 1.00 0.00 C ATOM 501 CG ASP A 32 -4.683 -3.681 -13.088 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.903 -4.649 -13.227 1.00 0.00 O ATOM 503 OD2 ASP A 32 -5.662 -3.418 -13.820 1.00 0.00 O ATOM 0 H ASP A 32 -4.181 -1.364 -9.925 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.378 -2.025 -11.689 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.022 -1.736 -12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.513 -3.043 -11.401 1.00 0.00 H new ATOM 508 N LYS A 33 -5.486 -3.995 -9.243 1.00 0.00 N ATOM 509 CA LYS A 33 -5.748 -5.247 -8.561 1.00 0.00 C ATOM 510 C LYS A 33 -7.127 -5.229 -7.911 1.00 0.00 C ATOM 511 O LYS A 33 -7.972 -6.065 -8.223 1.00 0.00 O ATOM 512 CB LYS A 33 -4.664 -5.471 -7.506 1.00 0.00 C ATOM 513 CG LYS A 33 -4.577 -6.948 -7.126 1.00 0.00 C ATOM 514 CD LYS A 33 -3.961 -7.734 -8.282 1.00 0.00 C ATOM 515 CE LYS A 33 -3.677 -9.167 -7.842 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.956 -9.907 -8.891 1.00 0.00 N ATOM 0 H LYS A 33 -4.883 -3.356 -8.725 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.731 -6.063 -9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.701 -5.132 -7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.883 -4.875 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.973 -7.069 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.570 -7.335 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.639 -7.734 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.038 -7.255 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.087 -9.160 -6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.615 -9.674 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.774 -10.879 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.532 -9.932 -9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.052 -9.434 -9.090 1.00 0.00 H new ATOM 530 N GLU A 34 -7.339 -4.300 -6.975 1.00 0.00 N ATOM 531 CA GLU A 34 -8.580 -4.227 -6.226 1.00 0.00 C ATOM 532 C GLU A 34 -9.593 -3.350 -6.959 1.00 0.00 C ATOM 533 O GLU A 34 -10.783 -3.386 -6.653 1.00 0.00 O ATOM 534 CB GLU A 34 -8.285 -3.666 -4.834 1.00 0.00 C ATOM 535 CG GLU A 34 -9.448 -3.942 -3.881 1.00 0.00 C ATOM 536 CD GLU A 34 -9.713 -5.438 -3.755 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.842 -5.849 -4.098 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.804 -6.136 -3.255 1.00 0.00 O ATOM 0 H GLU A 34 -6.656 -3.586 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.010 -5.224 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.373 -4.115 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.109 -2.592 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.224 -3.526 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.345 -3.440 -4.243 1.00 0.00 H new ATOM 545 N GLY A 35 -9.123 -2.577 -7.943 1.00 0.00 N ATOM 546 CA GLY A 35 -9.990 -1.738 -8.754 1.00 0.00 C ATOM 547 C GLY A 35 -10.305 -0.417 -8.058 1.00 0.00 C ATOM 548 O GLY A 35 -10.985 0.432 -8.629 1.00 0.00 O ATOM 0 H GLY A 35 -8.136 -2.520 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.512 -1.540 -9.713 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.918 -2.269 -8.965 1.00 0.00 H new ATOM 552 N ILE A 36 -9.834 -0.247 -6.819 1.00 0.00 N ATOM 553 CA ILE A 36 -10.107 0.959 -6.058 1.00 0.00 C ATOM 554 C ILE A 36 -9.112 2.055 -6.440 1.00 0.00 C ATOM 555 O ILE A 36 -7.904 1.850 -6.347 1.00 0.00 O ATOM 556 CB ILE A 36 -10.021 0.643 -4.564 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.987 -0.500 -4.239 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.388 1.888 -3.756 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.854 -0.913 -2.775 1.00 0.00 C ATOM 0 H ILE A 36 -9.262 -0.934 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.111 1.318 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.006 0.342 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.011 -0.188 -4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.780 -1.354 -4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.327 1.662 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.696 2.695 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.404 2.196 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.548 -1.726 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.834 -1.246 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.085 -0.062 -2.134 1.00 0.00 H new ATOM 571 N PRO A 37 -9.615 3.227 -6.845 1.00 0.00 N ATOM 572 CA PRO A 37 -8.803 4.358 -7.245 1.00 0.00 C ATOM 573 C PRO A 37 -8.216 5.051 -6.017 1.00 0.00 C ATOM 574 O PRO A 37 -8.612 4.757 -4.891 1.00 0.00 O ATOM 575 CB PRO A 37 -9.758 5.293 -7.986 1.00 0.00 C ATOM 576 CG PRO A 37 -11.124 4.979 -7.375 1.00 0.00 C ATOM 577 CD PRO A 37 -11.028 3.506 -6.985 1.00 0.00 C ATOM 0 HA PRO A 37 -7.962 4.059 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.486 6.339 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.748 5.106 -9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.327 5.608 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.929 5.151 -8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.559 3.313 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.479 2.870 -7.747 1.00 0.00 H new ATOM 585 N PRO A 38 -7.311 6.013 -6.234 1.00 0.00 N ATOM 586 CA PRO A 38 -6.691 6.792 -5.180 1.00 0.00 C ATOM 587 C PRO A 38 -7.740 7.495 -4.324 1.00 0.00 C ATOM 588 O PRO A 38 -8.909 7.560 -4.701 1.00 0.00 O ATOM 589 CB PRO A 38 -5.790 7.805 -5.887 1.00 0.00 C ATOM 590 CG PRO A 38 -5.534 7.191 -7.263 1.00 0.00 C ATOM 591 CD PRO A 38 -6.784 6.359 -7.536 1.00 0.00 C ATOM 0 HA PRO A 38 -6.122 6.158 -4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.275 8.778 -5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.859 7.958 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.393 7.960 -8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.636 6.573 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.513 6.925 -8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.543 5.465 -8.112 1.00 0.00 H new ATOM 599 N ASP A 39 -7.304 8.046 -3.185 1.00 0.00 N ATOM 600 CA ASP A 39 -8.155 8.757 -2.240 1.00 0.00 C ATOM 601 C ASP A 39 -9.058 7.780 -1.495 1.00 0.00 C ATOM 602 O ASP A 39 -9.146 7.829 -0.269 1.00 0.00 O ATOM 603 CB ASP A 39 -8.971 9.833 -2.956 1.00 0.00 C ATOM 604 CG ASP A 39 -9.630 10.769 -1.948 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.770 10.454 -1.540 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.985 11.784 -1.606 1.00 0.00 O ATOM 0 H ASP A 39 -6.327 8.006 -2.894 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.521 9.254 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.324 10.404 -3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.734 9.365 -3.578 1.00 0.00 H new ATOM 611 N GLN A 40 -9.694 6.864 -2.229 1.00 0.00 N ATOM 612 CA GLN A 40 -10.522 5.836 -1.628 1.00 0.00 C ATOM 613 C GLN A 40 -9.627 4.830 -0.916 1.00 0.00 C ATOM 614 O GLN A 40 -10.097 4.061 -0.081 1.00 0.00 O ATOM 615 CB GLN A 40 -11.353 5.148 -2.711 1.00 0.00 C ATOM 616 CG GLN A 40 -12.410 6.117 -3.237 1.00 0.00 C ATOM 617 CD GLN A 40 -13.227 5.492 -4.361 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.609 4.326 -4.283 1.00 0.00 O ATOM 619 NE2 GLN A 40 -13.516 6.279 -5.397 1.00 0.00 N ATOM 0 H GLN A 40 -9.646 6.820 -3.247 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.203 6.281 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.708 4.820 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.832 4.257 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.073 6.411 -2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.926 7.025 -3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.176 7.241 -5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.077 5.920 -6.170 1.00 0.00 H new ATOM 628 N GLN A 41 -8.333 4.844 -1.250 1.00 0.00 N ATOM 629 CA GLN A 41 -7.348 3.989 -0.615 1.00 0.00 C ATOM 630 C GLN A 41 -6.328 4.838 0.131 1.00 0.00 C ATOM 631 O GLN A 41 -6.083 5.984 -0.242 1.00 0.00 O ATOM 632 CB GLN A 41 -6.666 3.123 -1.677 1.00 0.00 C ATOM 633 CG GLN A 41 -5.877 3.993 -2.650 1.00 0.00 C ATOM 634 CD GLN A 41 -5.123 3.129 -3.650 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.132 2.493 -3.300 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.572 3.134 -4.906 1.00 0.00 N ATOM 0 H GLN A 41 -7.947 5.453 -1.971 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.839 3.336 0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.999 2.407 -1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.415 2.547 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.555 4.663 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.175 4.619 -2.099 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.400 3.678 -5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.088 2.594 -5.623 1.00 0.00 H new ATOM 645 N ARG A 42 -5.684 4.247 1.141 1.00 0.00 N ATOM 646 CA ARG A 42 -4.657 4.914 1.924 1.00 0.00 C ATOM 647 C ARG A 42 -3.741 3.864 2.539 1.00 0.00 C ATOM 648 O ARG A 42 -4.207 2.829 3.008 1.00 0.00 O ATOM 649 CB ARG A 42 -5.319 5.750 3.017 1.00 0.00 C ATOM 650 CG ARG A 42 -5.384 7.214 2.583 1.00 0.00 C ATOM 651 CD ARG A 42 -6.404 7.963 3.438 1.00 0.00 C ATOM 652 NE ARG A 42 -7.768 7.527 3.130 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.798 7.619 3.984 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.610 8.105 5.218 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.017 7.212 3.609 1.00 0.00 N ATOM 0 H ARG A 42 -5.866 3.287 1.435 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.066 5.573 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.323 5.375 3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.756 5.662 3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.402 7.676 2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.661 7.279 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.194 7.793 4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.313 9.035 3.264 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.946 7.128 2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.681 8.407 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.396 8.173 5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.162 6.832 2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.800 7.282 4.259 1.00 0.00 H new ATOM 669 N LEU A 43 -2.439 4.155 2.574 1.00 0.00 N ATOM 670 CA LEU A 43 -1.440 3.235 3.079 1.00 0.00 C ATOM 671 C LEU A 43 -1.028 3.640 4.489 1.00 0.00 C ATOM 672 O LEU A 43 -1.097 4.815 4.846 1.00 0.00 O ATOM 673 CB LEU A 43 -0.221 3.287 2.156 1.00 0.00 C ATOM 674 CG LEU A 43 -0.431 2.417 0.917 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.666 2.696 -0.107 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.387 0.938 1.304 1.00 0.00 C ATOM 0 H LEU A 43 -2.055 5.042 2.249 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.848 2.225 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.034 4.317 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.663 2.948 2.696 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.404 2.653 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.509 2.072 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.635 3.746 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.638 2.469 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.537 0.325 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.582 0.706 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.175 0.728 2.028 1.00 0.00 H new ATOM 688 N ALA A 44 -0.529 2.673 5.264 1.00 0.00 N ATOM 689 CA ALA A 44 0.044 2.930 6.574 1.00 0.00 C ATOM 690 C ALA A 44 0.977 1.782 6.942 1.00 0.00 C ATOM 691 O ALA A 44 0.947 0.730 6.306 1.00 0.00 O ATOM 692 CB ALA A 44 -1.065 3.068 7.615 1.00 0.00 C ATOM 0 H ALA A 44 -0.514 1.690 4.993 1.00 0.00 H new ATOM 0 HA ALA A 44 0.609 3.862 6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.624 3.260 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.719 3.896 7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.645 2.146 7.653 1.00 0.00 H new ATOM 698 N PHE A 45 1.780 1.971 7.991 1.00 0.00 N ATOM 699 CA PHE A 45 2.684 0.939 8.464 1.00 0.00 C ATOM 700 C PHE A 45 2.782 0.998 9.981 1.00 0.00 C ATOM 701 O PHE A 45 3.326 1.952 10.530 1.00 0.00 O ATOM 702 CB PHE A 45 4.055 1.123 7.818 1.00 0.00 C ATOM 703 CG PHE A 45 4.954 -0.084 7.964 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.465 -0.440 9.220 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.269 -0.856 6.838 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.291 -1.565 9.346 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.093 -1.981 6.965 1.00 0.00 C ATOM 708 CZ PHE A 45 6.605 -2.335 8.219 1.00 0.00 C ATOM 0 H PHE A 45 1.817 2.838 8.527 1.00 0.00 H new ATOM 0 HA PHE A 45 2.301 -0.042 8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.923 1.342 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.545 1.988 8.264 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.222 0.152 10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.875 -0.583 5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.686 -1.839 10.313 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.333 -2.575 6.096 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.242 -3.202 8.317 1.00 0.00 H new ATOM 718 N ALA A 46 2.278 -0.037 10.658 1.00 0.00 N ATOM 719 CA ALA A 46 2.284 -0.103 12.110 1.00 0.00 C ATOM 720 C ALA A 46 1.632 1.139 12.719 1.00 0.00 C ATOM 721 O ALA A 46 1.857 1.446 13.888 1.00 0.00 O ATOM 722 CB ALA A 46 3.716 -0.284 12.610 1.00 0.00 C ATOM 0 H ALA A 46 1.856 -0.850 10.209 1.00 0.00 H new ATOM 0 HA ALA A 46 1.694 -0.963 12.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.718 -0.333 13.699 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.129 -1.208 12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.325 0.559 12.284 1.00 0.00 H new ATOM 728 N GLY A 47 0.824 1.848 11.926 1.00 0.00 N ATOM 729 CA GLY A 47 0.114 3.030 12.386 1.00 0.00 C ATOM 730 C GLY A 47 0.762 4.295 11.838 1.00 0.00 C ATOM 731 O GLY A 47 0.157 5.365 11.869 1.00 0.00 O ATOM 0 H GLY A 47 0.648 1.614 10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.927 2.982 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.113 3.059 13.476 1.00 0.00 H new ATOM 735 N LYS A 48 1.957 4.162 11.259 1.00 0.00 N ATOM 736 CA LYS A 48 2.643 5.287 10.656 1.00 0.00 C ATOM 737 C LYS A 48 1.987 5.587 9.317 1.00 0.00 C ATOM 738 O LYS A 48 1.951 4.724 8.442 1.00 0.00 O ATOM 739 CB LYS A 48 4.116 4.928 10.449 1.00 0.00 C ATOM 740 CG LYS A 48 4.744 4.460 11.763 1.00 0.00 C ATOM 741 CD LYS A 48 6.124 3.867 11.486 1.00 0.00 C ATOM 742 CE LYS A 48 6.690 3.267 12.771 1.00 0.00 C ATOM 743 NZ LYS A 48 7.977 2.596 12.521 1.00 0.00 N ATOM 0 H LYS A 48 2.464 3.279 11.199 1.00 0.00 H new ATOM 0 HA LYS A 48 2.581 6.163 11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.203 4.143 9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.657 5.794 10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.829 5.297 12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.105 3.716 12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.053 3.100 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.794 4.639 11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.824 4.053 13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.979 2.553 13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.339 2.197 13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.841 1.832 11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.661 3.285 12.147 1.00 0.00 H new ATOM 757 N GLN A 49 1.449 6.797 9.156 1.00 0.00 N ATOM 758 CA GLN A 49 0.804 7.163 7.911 1.00 0.00 C ATOM 759 C GLN A 49 1.877 7.382 6.856 1.00 0.00 C ATOM 760 O GLN A 49 2.833 8.121 7.085 1.00 0.00 O ATOM 761 CB GLN A 49 -0.028 8.430 8.112 1.00 0.00 C ATOM 762 CG GLN A 49 -0.262 9.118 6.767 1.00 0.00 C ATOM 763 CD GLN A 49 -1.289 10.235 6.892 1.00 0.00 C ATOM 764 OE1 GLN A 49 -1.514 10.757 7.982 1.00 0.00 O ATOM 765 NE2 GLN A 49 -1.953 10.561 5.783 1.00 0.00 N ATOM 0 H GLN A 49 1.450 7.527 9.868 1.00 0.00 H new ATOM 0 HA GLN A 49 0.134 6.368 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.983 8.179 8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.486 9.109 8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.678 9.525 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.604 8.386 6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.730 10.100 4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.684 11.272 5.816 1.00 0.00 H new ATOM 774 N LEU A 50 1.738 6.710 5.712 1.00 0.00 N ATOM 775 CA LEU A 50 2.681 6.861 4.622 1.00 0.00 C ATOM 776 C LEU A 50 2.252 8.031 3.748 1.00 0.00 C ATOM 777 O LEU A 50 1.074 8.380 3.715 1.00 0.00 O ATOM 778 CB LEU A 50 2.728 5.573 3.802 1.00 0.00 C ATOM 779 CG LEU A 50 3.068 4.380 4.697 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.180 3.122 3.838 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.380 4.620 5.443 1.00 0.00 C ATOM 0 H LEU A 50 0.978 6.057 5.524 1.00 0.00 H new ATOM 0 HA LEU A 50 3.677 7.058 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.766 5.409 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.472 5.665 3.011 1.00 0.00 H new ATOM 0 HG LEU A 50 2.275 4.253 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.422 2.269 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.231 2.941 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.966 3.257 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.603 3.759 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.187 4.761 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.288 5.511 6.064 1.00 0.00 H new ATOM 793 N GLU A 51 3.200 8.610 3.010 1.00 0.00 N ATOM 794 CA GLU A 51 2.908 9.719 2.125 1.00 0.00 C ATOM 795 C GLU A 51 3.676 9.534 0.823 1.00 0.00 C ATOM 796 O GLU A 51 4.699 8.852 0.797 1.00 0.00 O ATOM 797 CB GLU A 51 3.290 11.024 2.825 1.00 0.00 C ATOM 798 CG GLU A 51 2.828 12.232 2.012 1.00 0.00 C ATOM 799 CD GLU A 51 3.092 13.523 2.777 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.202 14.071 2.603 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.222 13.885 3.598 1.00 0.00 O ATOM 0 H GLU A 51 4.178 8.322 3.014 1.00 0.00 H new ATOM 0 HA GLU A 51 1.845 9.757 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.840 11.055 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.370 11.065 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.351 12.256 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.764 12.144 1.792 1.00 0.00 H new ATOM 808 N ASP A 52 3.154 10.098 -0.268 1.00 0.00 N ATOM 809 CA ASP A 52 3.769 9.973 -1.574 1.00 0.00 C ATOM 810 C ASP A 52 4.856 11.026 -1.745 1.00 0.00 C ATOM 811 O ASP A 52 4.904 12.000 -0.997 1.00 0.00 O ATOM 812 CB ASP A 52 2.698 10.125 -2.652 1.00 0.00 C ATOM 813 CG ASP A 52 2.008 11.479 -2.559 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.213 11.641 -1.606 1.00 0.00 O ATOM 815 OD2 ASP A 52 2.122 12.239 -3.545 1.00 0.00 O ATOM 0 H ASP A 52 2.296 10.650 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 52 4.231 8.990 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.152 10.012 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.959 9.330 -2.549 1.00 0.00 H new ATOM 820 N GLY A 53 5.748 10.812 -2.716 1.00 0.00 N ATOM 821 CA GLY A 53 6.802 11.763 -3.013 1.00 0.00 C ATOM 822 C GLY A 53 8.122 11.340 -2.377 1.00 0.00 C ATOM 823 O GLY A 53 9.103 12.076 -2.454 1.00 0.00 O ATOM 0 H GLY A 53 5.754 9.981 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.926 11.847 -4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.519 12.750 -2.647 1.00 0.00 H new ATOM 827 N ARG A 54 8.156 10.166 -1.737 1.00 0.00 N ATOM 828 CA ARG A 54 9.357 9.719 -1.056 1.00 0.00 C ATOM 829 C ARG A 54 9.634 8.247 -1.351 1.00 0.00 C ATOM 830 O ARG A 54 8.710 7.473 -1.597 1.00 0.00 O ATOM 831 CB ARG A 54 9.184 9.958 0.445 1.00 0.00 C ATOM 832 CG ARG A 54 10.443 9.550 1.206 1.00 0.00 C ATOM 833 CD ARG A 54 10.280 9.889 2.684 1.00 0.00 C ATOM 834 NE ARG A 54 11.447 9.448 3.450 1.00 0.00 N ATOM 835 CZ ARG A 54 11.759 9.921 4.664 1.00 0.00 C ATOM 836 NH1 ARG A 54 10.987 10.850 5.243 1.00 0.00 N ATOM 837 NH2 ARG A 54 12.845 9.465 5.299 1.00 0.00 N ATOM 0 H ARG A 54 7.369 9.520 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 54 10.216 10.285 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.968 11.011 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.330 9.389 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.623 8.482 1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.311 10.068 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.147 10.964 2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.381 9.411 3.074 1.00 0.00 H new ATOM 0 HE ARG A 54 12.056 8.742 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.159 11.199 4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.227 11.208 6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.434 8.758 4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.084 9.824 6.223 1.00 0.00 H new ATOM 851 N THR A 55 10.908 7.857 -1.241 1.00 0.00 N ATOM 852 CA THR A 55 11.349 6.486 -1.423 1.00 0.00 C ATOM 853 C THR A 55 10.650 5.596 -0.403 1.00 0.00 C ATOM 854 O THR A 55 10.763 5.825 0.800 1.00 0.00 O ATOM 855 CB THR A 55 12.865 6.437 -1.237 1.00 0.00 C ATOM 856 OG1 THR A 55 13.464 7.354 -2.127 1.00 0.00 O ATOM 857 CG2 THR A 55 13.391 5.040 -1.541 1.00 0.00 C ATOM 0 H THR A 55 11.667 8.501 -1.019 1.00 0.00 H new ATOM 0 HA THR A 55 11.099 6.128 -2.422 1.00 0.00 H new ATOM 0 HB THR A 55 13.106 6.692 -0.205 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.437 7.331 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.472 5.021 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.927 4.321 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.151 4.777 -2.571 1.00 0.00 H new ATOM 865 N LEU A 56 9.906 4.595 -0.880 1.00 0.00 N ATOM 866 CA LEU A 56 9.118 3.748 -0.004 1.00 0.00 C ATOM 867 C LEU A 56 10.008 2.848 0.848 1.00 0.00 C ATOM 868 O LEU A 56 9.660 2.547 1.988 1.00 0.00 O ATOM 869 CB LEU A 56 8.140 2.924 -0.845 1.00 0.00 C ATOM 870 CG LEU A 56 8.874 1.997 -1.818 1.00 0.00 C ATOM 871 CD1 LEU A 56 9.067 0.616 -1.196 1.00 0.00 C ATOM 872 CD2 LEU A 56 8.035 1.845 -3.082 1.00 0.00 C ATOM 0 H LEU A 56 9.838 4.357 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 56 8.554 4.378 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.504 2.332 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.486 3.594 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 56 9.849 2.427 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.590 -0.030 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.654 0.707 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.094 0.184 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.548 1.186 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.066 1.417 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.890 2.822 -3.542 1.00 0.00 H new ATOM 884 N SER A 57 11.176 2.458 0.327 1.00 0.00 N ATOM 885 CA SER A 57 12.058 1.560 1.051 1.00 0.00 C ATOM 886 C SER A 57 12.778 2.303 2.170 1.00 0.00 C ATOM 887 O SER A 57 13.253 1.684 3.119 1.00 0.00 O ATOM 888 CB SER A 57 13.069 0.953 0.083 1.00 0.00 C ATOM 889 OG SER A 57 12.386 0.222 -0.910 1.00 0.00 O ATOM 0 H SER A 57 11.523 2.751 -0.586 1.00 0.00 H new ATOM 0 HA SER A 57 11.464 0.763 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.667 1.740 -0.376 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.758 0.301 0.621 1.00 0.00 H new ATOM 0 HG SER A 57 12.951 -0.517 -1.219 1.00 0.00 H new ATOM 895 N ASP A 58 12.842 3.632 2.071 1.00 0.00 N ATOM 896 CA ASP A 58 13.463 4.448 3.097 1.00 0.00 C ATOM 897 C ASP A 58 12.413 4.869 4.116 1.00 0.00 C ATOM 898 O ASP A 58 12.747 5.343 5.200 1.00 0.00 O ATOM 899 CB ASP A 58 14.096 5.675 2.446 1.00 0.00 C ATOM 900 CG ASP A 58 14.801 6.542 3.481 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.240 7.613 3.799 1.00 0.00 O ATOM 902 OD2 ASP A 58 15.943 6.180 3.841 1.00 0.00 O ATOM 0 H ASP A 58 12.467 4.161 1.284 1.00 0.00 H new ATOM 0 HA ASP A 58 14.238 3.877 3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.809 5.359 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.327 6.259 1.940 1.00 0.00 H new ATOM 907 N TYR A 59 11.138 4.694 3.761 1.00 0.00 N ATOM 908 CA TYR A 59 10.037 5.095 4.610 1.00 0.00 C ATOM 909 C TYR A 59 9.795 4.052 5.701 1.00 0.00 C ATOM 910 O TYR A 59 10.132 4.289 6.859 1.00 0.00 O ATOM 911 CB TYR A 59 8.798 5.311 3.742 1.00 0.00 C ATOM 912 CG TYR A 59 7.906 6.436 4.215 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.371 7.336 3.283 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.623 6.586 5.580 1.00 0.00 C ATOM 915 CE1 TYR A 59 6.554 8.390 3.711 1.00 0.00 C ATOM 916 CE2 TYR A 59 6.804 7.636 6.016 1.00 0.00 C ATOM 917 CZ TYR A 59 6.268 8.544 5.082 1.00 0.00 C ATOM 918 OH TYR A 59 5.475 9.571 5.501 1.00 0.00 O ATOM 0 H TYR A 59 10.851 4.271 2.878 1.00 0.00 H new ATOM 0 HA TYR A 59 10.275 6.031 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.114 5.517 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.219 4.388 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.589 7.216 2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.037 5.891 6.296 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.144 9.083 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.584 7.749 7.067 1.00 0.00 H new ATOM 0 HH TYR A 59 5.377 9.532 6.475 1.00 0.00 H new ATOM 928 N ASN A 60 9.207 2.904 5.343 1.00 0.00 N ATOM 929 CA ASN A 60 8.927 1.857 6.315 1.00 0.00 C ATOM 930 C ASN A 60 8.890 0.482 5.648 1.00 0.00 C ATOM 931 O ASN A 60 9.059 -0.528 6.326 1.00 0.00 O ATOM 932 CB ASN A 60 7.587 2.130 7.000 1.00 0.00 C ATOM 933 CG ASN A 60 7.741 3.134 8.134 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.411 2.856 9.126 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.076 4.284 8.011 1.00 0.00 N ATOM 0 H ASN A 60 8.919 2.683 4.390 1.00 0.00 H new ATOM 0 HA ASN A 60 9.726 1.859 7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.873 2.510 6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.178 1.198 7.390 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.111 4.976 8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.532 4.471 7.168 1.00 0.00 H new ATOM 942 N ILE A 61 8.606 0.429 4.341 1.00 0.00 N ATOM 943 CA ILE A 61 8.506 -0.843 3.638 1.00 0.00 C ATOM 944 C ILE A 61 9.747 -1.686 3.904 1.00 0.00 C ATOM 945 O ILE A 61 10.869 -1.185 3.852 1.00 0.00 O ATOM 946 CB ILE A 61 8.319 -0.604 2.134 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.830 -0.510 1.794 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.904 -1.775 1.344 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.251 0.809 2.292 1.00 0.00 C ATOM 0 H ILE A 61 8.443 1.250 3.757 1.00 0.00 H new ATOM 0 HA ILE A 61 7.636 -1.386 4.007 1.00 0.00 H new ATOM 0 HB ILE A 61 8.825 0.325 1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.691 -0.591 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.294 -1.344 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.768 -1.598 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.968 -1.867 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.394 -2.696 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.191 0.859 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.372 0.874 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.775 1.639 1.818 1.00 0.00 H new ATOM 961 N GLN A 62 9.534 -2.979 4.159 1.00 0.00 N ATOM 962 CA GLN A 62 10.611 -3.929 4.360 1.00 0.00 C ATOM 963 C GLN A 62 10.309 -5.192 3.562 1.00 0.00 C ATOM 964 O GLN A 62 9.175 -5.404 3.136 1.00 0.00 O ATOM 965 CB GLN A 62 10.738 -4.246 5.850 1.00 0.00 C ATOM 966 CG GLN A 62 11.416 -3.085 6.574 1.00 0.00 C ATOM 967 CD GLN A 62 11.489 -3.351 8.071 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.547 -3.695 8.592 1.00 0.00 O ATOM 969 NE2 GLN A 62 10.356 -3.211 8.761 1.00 0.00 N ATOM 0 H GLN A 62 8.603 -3.390 4.231 1.00 0.00 H new ATOM 0 HA GLN A 62 11.556 -3.509 4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.752 -4.426 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.317 -5.159 5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.420 -2.939 6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.864 -2.163 6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.501 -2.923 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.344 -3.392 9.765 1.00 0.00 H new ATOM 978 N LYS A 63 11.320 -6.044 3.382 1.00 0.00 N ATOM 979 CA LYS A 63 11.173 -7.278 2.631 1.00 0.00 C ATOM 980 C LYS A 63 10.217 -8.230 3.346 1.00 0.00 C ATOM 981 O LYS A 63 10.428 -8.575 4.507 1.00 0.00 O ATOM 982 CB LYS A 63 12.547 -7.916 2.413 1.00 0.00 C ATOM 983 CG LYS A 63 13.310 -8.058 3.729 1.00 0.00 C ATOM 984 CD LYS A 63 14.708 -8.602 3.441 1.00 0.00 C ATOM 985 CE LYS A 63 15.488 -8.731 4.747 1.00 0.00 C ATOM 986 NZ LYS A 63 16.858 -9.207 4.498 1.00 0.00 N ATOM 0 H LYS A 63 12.258 -5.893 3.754 1.00 0.00 H new ATOM 0 HA LYS A 63 10.741 -7.057 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.426 -8.897 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.126 -7.308 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.378 -7.092 4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.777 -8.729 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.637 -9.573 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.234 -7.937 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.521 -7.766 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.974 -9.423 5.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.367 -9.286 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.823 -10.139 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.353 -8.533 3.880 1.00 0.00 H new ATOM 1000 N GLU A 64 9.162 -8.647 2.638 1.00 0.00 N ATOM 1001 CA GLU A 64 8.165 -9.575 3.147 1.00 0.00 C ATOM 1002 C GLU A 64 7.613 -9.119 4.493 1.00 0.00 C ATOM 1003 O GLU A 64 7.374 -9.942 5.374 1.00 0.00 O ATOM 1004 CB GLU A 64 8.765 -10.980 3.242 1.00 0.00 C ATOM 1005 CG GLU A 64 8.981 -11.564 1.846 1.00 0.00 C ATOM 1006 CD GLU A 64 10.231 -10.991 1.195 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.068 -10.062 0.377 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.328 -11.500 1.513 1.00 0.00 O ATOM 0 H GLU A 64 8.980 -8.341 1.682 1.00 0.00 H new ATOM 0 HA GLU A 64 7.327 -9.598 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.714 -10.942 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.101 -11.628 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.067 -12.649 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.113 -11.351 1.222 1.00 0.00 H new ATOM 1015 N SER A 65 7.354 -7.816 4.633 1.00 0.00 N ATOM 1016 CA SER A 65 6.713 -7.296 5.827 1.00 0.00 C ATOM 1017 C SER A 65 5.250 -6.993 5.522 1.00 0.00 C ATOM 1018 O SER A 65 4.857 -6.943 4.357 1.00 0.00 O ATOM 1019 CB SER A 65 7.454 -6.050 6.307 1.00 0.00 C ATOM 1020 OG SER A 65 7.302 -5.913 7.703 1.00 0.00 O ATOM 0 H SER A 65 7.580 -7.110 3.933 1.00 0.00 H new ATOM 0 HA SER A 65 6.750 -8.036 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.511 -6.124 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.065 -5.166 5.801 1.00 0.00 H new ATOM 0 HG SER A 65 7.780 -5.113 8.007 1.00 0.00 H new ATOM 1026 N THR A 66 4.446 -6.771 6.565 1.00 0.00 N ATOM 1027 CA THR A 66 3.027 -6.521 6.396 1.00 0.00 C ATOM 1028 C THR A 66 2.730 -5.034 6.525 1.00 0.00 C ATOM 1029 O THR A 66 3.172 -4.388 7.473 1.00 0.00 O ATOM 1030 CB THR A 66 2.247 -7.319 7.440 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.602 -8.681 7.352 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.746 -7.171 7.201 1.00 0.00 C ATOM 0 H THR A 66 4.762 -6.761 7.535 1.00 0.00 H new ATOM 0 HA THR A 66 2.720 -6.839 5.400 1.00 0.00 H new ATOM 0 HB THR A 66 2.490 -6.938 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.103 -9.193 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.200 -7.744 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.468 -6.120 7.274 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.497 -7.544 6.207 1.00 0.00 H new ATOM 1040 N LEU A 67 1.948 -4.499 5.583 1.00 0.00 N ATOM 1041 CA LEU A 67 1.520 -3.113 5.632 1.00 0.00 C ATOM 1042 C LEU A 67 0.109 -3.056 6.202 1.00 0.00 C ATOM 1043 O LEU A 67 -0.524 -4.091 6.399 1.00 0.00 O ATOM 1044 CB LEU A 67 1.546 -2.512 4.226 1.00 0.00 C ATOM 1045 CG LEU A 67 2.949 -2.013 3.880 1.00 0.00 C ATOM 1046 CD1 LEU A 67 3.874 -3.194 3.598 1.00 0.00 C ATOM 1047 CD2 LEU A 67 2.874 -1.131 2.636 1.00 0.00 C ATOM 0 H LEU A 67 1.601 -5.016 4.775 1.00 0.00 H new ATOM 0 HA LEU A 67 2.194 -2.538 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.231 -3.260 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.835 -1.688 4.164 1.00 0.00 H new ATOM 0 HG LEU A 67 3.342 -1.444 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.870 -2.826 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.930 -3.831 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.483 -3.770 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.872 -0.772 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.476 -1.710 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.221 -0.281 2.832 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.402 -1.843 6.419 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.749 -1.658 6.921 1.00 0.00 C ATOM 1061 C HIS A 68 -2.482 -0.684 6.012 1.00 0.00 C ATOM 1062 O HIS A 68 -2.182 0.507 5.995 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.706 -1.158 8.361 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.064 -1.170 9.008 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.152 -0.453 8.603 1.00 0.00 N flip ATOM 1066 CD2 HIS A 68 -3.448 -1.967 10.057 1.00 0.00 C flip ATOM 1067 CE1 HIS A 68 -5.229 -0.807 9.423 1.00 0.00 C flip ATOM 1068 NE2 HIS A 68 -4.752 -1.725 10.287 1.00 0.00 N flip ATOM 0 H HIS A 68 0.106 -0.975 6.251 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.286 -2.607 6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.024 -1.781 8.940 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.305 -0.144 8.380 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.820 -2.660 10.598 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.237 -0.423 9.374 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.305 -2.175 11.017 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.386 -1.217 5.193 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.084 -0.455 4.178 1.00 0.00 C ATOM 1078 C LEU A 69 -5.449 -0.013 4.704 1.00 0.00 C ATOM 1079 O LEU A 69 -6.028 -0.678 5.562 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.224 -1.358 2.954 1.00 0.00 C ATOM 1081 CG LEU A 69 -4.798 -0.602 1.765 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -3.750 0.367 1.222 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.179 -1.599 0.673 1.00 0.00 C ATOM 0 H LEU A 69 -3.652 -2.201 5.221 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.535 0.448 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.249 -1.768 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.870 -2.202 3.196 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.680 -0.044 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.162 0.908 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.471 1.076 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.868 -0.190 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.591 -1.063 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.294 -2.153 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.925 -2.294 1.059 1.00 0.00 H new ATOM 1095 N ALA A 70 -5.946 1.124 4.208 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.241 1.654 4.600 1.00 0.00 C ATOM 1097 C ALA A 70 -8.091 1.914 3.365 1.00 0.00 C ATOM 1098 O ALA A 70 -7.578 2.367 2.343 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.050 2.936 5.409 1.00 0.00 C ATOM 0 H ALA A 70 -5.455 1.699 3.523 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.758 0.925 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.023 3.330 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.464 2.719 6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.527 3.675 4.802 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.391 1.627 3.459 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.306 1.789 2.345 1.00 0.00 C ATOM 1107 C LEU A 71 -11.466 2.684 2.752 1.00 0.00 C ATOM 1108 O LEU A 71 -11.672 2.950 3.935 1.00 0.00 O ATOM 1109 CB LEU A 71 -10.852 0.421 1.907 1.00 0.00 C ATOM 1110 CG LEU A 71 -9.903 -0.374 1.000 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.394 0.526 -0.124 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -8.723 -0.954 1.780 1.00 0.00 C ATOM 0 H LEU A 71 -9.831 1.277 4.310 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.767 2.246 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.069 -0.172 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.797 0.570 1.384 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.462 -1.210 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.720 -0.040 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.238 0.887 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.860 1.375 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.076 -1.509 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.157 -0.144 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.094 -1.623 2.556 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.266 3.086 1.761 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.469 3.863 1.985 1.00 0.00 C ATOM 1126 C ARG A 72 -14.517 2.996 2.669 1.00 0.00 C ATOM 1127 O ARG A 72 -14.366 1.778 2.744 1.00 0.00 O ATOM 1128 CB ARG A 72 -13.999 4.360 0.640 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.276 3.168 -0.278 1.00 0.00 C ATOM 1130 CD ARG A 72 -14.927 3.650 -1.571 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.277 4.159 -1.323 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.043 4.708 -2.275 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.575 4.833 -3.524 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.282 5.121 -1.979 1.00 0.00 N ATOM 0 H ARG A 72 -12.089 2.876 0.779 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.245 4.716 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.912 4.937 0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.273 5.027 0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.346 2.646 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.929 2.455 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.316 4.434 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.970 2.830 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.653 4.092 -0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.634 4.510 -3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.159 5.251 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.641 5.017 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.867 5.539 -2.703 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.597 3.623 3.141 1.00 0.00 N ATOM 1149 CA LEU A 73 -16.712 2.894 3.714 1.00 0.00 C ATOM 1150 C LEU A 73 -17.611 2.423 2.578 1.00 0.00 C ATOM 1151 O LEU A 73 -17.485 2.903 1.452 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.487 3.811 4.661 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.582 4.309 5.789 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.370 5.262 6.683 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -16.079 3.138 6.630 1.00 0.00 C ATOM 0 H LEU A 73 -15.715 4.636 3.134 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.356 2.033 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.887 4.660 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.338 3.274 5.080 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.727 4.823 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.728 5.619 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.718 6.110 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.227 4.738 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.437 3.512 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.928 2.611 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.512 2.454 5.999 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.545 1.512 2.868 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.459 1.042 1.843 1.00 0.00 C ATOM 1169 C ARG A 74 -20.511 2.110 1.572 1.00 0.00 C ATOM 1170 O ARG A 74 -20.918 2.302 0.429 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.111 -0.271 2.276 1.00 0.00 C ATOM 1172 CG ARG A 74 -20.791 -0.899 1.059 1.00 0.00 C ATOM 1173 CD ARG A 74 -21.404 -2.252 1.413 1.00 0.00 C ATOM 1174 NE ARG A 74 -22.574 -2.094 2.279 1.00 0.00 N ATOM 1175 CZ ARG A 74 -23.547 -3.011 2.381 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -23.467 -4.156 1.692 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -24.603 -2.776 3.170 1.00 0.00 N ATOM 0 H ARG A 74 -18.681 1.096 3.789 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.906 0.854 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -19.362 -0.950 2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.840 -0.090 3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -21.567 -0.230 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.065 -1.024 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.692 -2.774 0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.660 -2.872 1.913 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.653 -1.242 2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.665 -4.333 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -24.209 -4.852 1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.666 -1.901 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -25.345 -3.471 3.250 1.00 0.00 H new ATOM 1191 N GLY A 75 -20.912 2.836 2.620 1.00 0.00 N ATOM 1192 CA GLY A 75 -21.883 3.908 2.499 1.00 0.00 C ATOM 1193 C GLY A 75 -23.150 3.580 3.283 1.00 0.00 C ATOM 1194 O GLY A 75 -24.050 4.411 3.378 1.00 0.00 O ATOM 0 H GLY A 75 -20.569 2.692 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.452 4.839 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.130 4.065 1.449 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.211 2.380 3.865 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.362 1.963 4.643 1.00 0.00 C ATOM 1200 C GLY A 76 -24.326 0.458 4.860 1.00 0.00 C ATOM 1201 O GLY A 76 -24.830 0.023 5.918 1.00 0.00 O ATOM 0 H GLY A 76 -22.469 1.683 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.367 2.477 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.281 2.242 4.127 1.00 0.00 H new TER 1205 GLY A 76