USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 60 ASN : amide:sc= 0.0767 K(o=1,f=-0.059) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.958 K(o=1,f=-0.027) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.0157 K(o=-0.66,f=-1.2) USER MOD Set 2.2: A 41 ASN : amide:sc= -0.648 K(o=-0.66,f=-1.2) USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0377) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.24 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= -2.46! K(o=-2.5!,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.18) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0131 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 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 27 LYS NZ :NH3+ 125:sc= 1.26 (180deg=0.0301) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.049) USER MOD Single : A 31 GLN : amide:sc= 0.96 K(o=0.96,f=-0.044) USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= 1.29 (180deg=-0.197) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.29! K(o=-1.3!,f=0.19) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.47 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.0883 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.223 -12.844 6.954 1.00 0.00 N ATOM 2 CA MET A 1 -7.437 -12.864 5.700 1.00 0.00 C ATOM 3 C MET A 1 -6.021 -12.405 5.994 1.00 0.00 C ATOM 4 O MET A 1 -5.787 -11.222 6.227 1.00 0.00 O ATOM 5 CB MET A 1 -8.070 -12.029 4.574 1.00 0.00 C ATOM 6 CG MET A 1 -9.486 -12.508 4.252 1.00 0.00 C ATOM 7 SD MET A 1 -9.615 -14.298 3.980 1.00 0.00 S ATOM 8 CE MET A 1 -11.393 -14.550 4.245 1.00 0.00 C ATOM 0 H1 MET A 1 -9.075 -13.429 6.839 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.646 -13.223 7.732 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.501 -11.866 7.174 1.00 0.00 H new ATOM 0 HA MET A 1 -7.426 -13.890 5.331 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.097 -10.980 4.868 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.451 -12.093 3.679 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.149 -12.226 5.070 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.841 -11.989 3.362 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.620 -15.615 4.201 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.674 -14.159 5.223 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.954 -14.027 3.470 1.00 0.00 H new ATOM 20 N GLN A 2 -5.070 -13.338 5.999 1.00 0.00 N ATOM 21 CA GLN A 2 -3.638 -13.027 5.986 1.00 0.00 C ATOM 22 C GLN A 2 -3.210 -12.647 4.556 1.00 0.00 C ATOM 23 O GLN A 2 -3.624 -13.312 3.604 1.00 0.00 O ATOM 24 CB GLN A 2 -2.885 -14.246 6.540 1.00 0.00 C ATOM 25 CG GLN A 2 -1.379 -14.031 6.756 1.00 0.00 C ATOM 26 CD GLN A 2 -0.771 -15.112 7.651 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.322 -16.180 7.858 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.365 -14.876 8.260 1.00 0.00 N ATOM 0 H GLN A 2 -5.271 -14.338 6.012 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.402 -12.170 6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.336 -14.533 7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.024 -15.083 5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.871 -14.030 5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.213 -13.052 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.851 -13.992 8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.763 -15.576 8.886 1.00 0.00 H new ATOM 37 N ILE A 3 -2.402 -11.594 4.397 1.00 0.00 N ATOM 38 CA ILE A 3 -1.885 -11.078 3.109 1.00 0.00 C ATOM 39 C ILE A 3 -0.435 -10.593 3.281 1.00 0.00 C ATOM 40 O ILE A 3 0.023 -10.385 4.407 1.00 0.00 O ATOM 41 CB ILE A 3 -2.789 -9.957 2.525 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.774 -8.671 3.386 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.225 -10.456 2.274 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.571 -7.495 2.799 1.00 0.00 C ATOM 0 H ILE A 3 -2.071 -11.048 5.193 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.899 -11.896 2.389 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.361 -9.688 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.173 -8.906 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.740 -8.357 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.826 -9.644 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.204 -11.284 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.662 -10.794 3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.503 -6.639 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.160 -7.227 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.616 -7.785 2.684 1.00 0.00 H new ATOM 56 N PHE A 4 0.284 -10.409 2.168 1.00 0.00 N ATOM 57 CA PHE A 4 1.726 -10.144 2.166 1.00 0.00 C ATOM 58 C PHE A 4 2.157 -8.901 1.375 1.00 0.00 C ATOM 59 O PHE A 4 1.532 -8.579 0.367 1.00 0.00 O ATOM 60 CB PHE A 4 2.475 -11.402 1.707 1.00 0.00 C ATOM 61 CG PHE A 4 2.314 -12.598 2.633 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.871 -12.587 3.927 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.579 -13.721 2.204 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.680 -13.681 4.790 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.392 -14.818 3.066 1.00 0.00 C ATOM 66 CZ PHE A 4 1.935 -14.795 4.362 1.00 0.00 C ATOM 0 H PHE A 4 -0.124 -10.440 1.234 1.00 0.00 H new ATOM 0 HA PHE A 4 1.997 -9.903 3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.124 -11.677 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.536 -11.167 1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.447 -11.735 4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.157 -13.740 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.106 -13.666 5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.831 -15.678 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.781 -15.631 5.028 1.00 0.00 H new ATOM 76 N VAL A 5 3.248 -8.227 1.765 1.00 0.00 N ATOM 77 CA VAL A 5 3.864 -7.119 0.993 1.00 0.00 C ATOM 78 C VAL A 5 5.338 -7.363 0.660 1.00 0.00 C ATOM 79 O VAL A 5 6.112 -7.758 1.529 1.00 0.00 O ATOM 80 CB VAL A 5 3.648 -5.726 1.625 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.942 -4.594 0.628 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.224 -5.520 2.163 1.00 0.00 C ATOM 0 H VAL A 5 3.740 -8.432 2.635 1.00 0.00 H new ATOM 0 HA VAL A 5 3.322 -7.113 0.047 1.00 0.00 H new ATOM 0 HB VAL A 5 4.350 -5.689 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.778 -3.631 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.978 -4.662 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.279 -4.685 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.139 -4.522 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.508 -5.626 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.013 -6.265 2.930 1.00 0.00 H new ATOM 92 N LYS A 6 5.738 -7.105 -0.591 1.00 0.00 N ATOM 93 CA LYS A 6 7.106 -7.234 -1.119 1.00 0.00 C ATOM 94 C LYS A 6 7.784 -5.871 -1.035 1.00 0.00 C ATOM 95 O LYS A 6 7.378 -4.965 -1.755 1.00 0.00 O ATOM 96 CB LYS A 6 7.000 -7.768 -2.573 1.00 0.00 C ATOM 97 CG LYS A 6 8.126 -7.447 -3.579 1.00 0.00 C ATOM 98 CD LYS A 6 9.248 -8.494 -3.654 1.00 0.00 C ATOM 99 CE LYS A 6 9.927 -8.805 -2.316 1.00 0.00 C ATOM 100 NZ LYS A 6 10.883 -9.929 -2.460 1.00 0.00 N ATOM 0 H LYS A 6 5.082 -6.783 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 6 7.713 -7.934 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.909 -8.853 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.068 -7.391 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.686 -7.336 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.565 -6.485 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.837 -9.418 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.005 -8.146 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.451 -7.920 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.173 -9.056 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.417 -10.046 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.361 -10.804 -2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.542 -9.726 -3.238 1.00 0.00 H new ATOM 114 N THR A 7 8.809 -5.710 -0.198 1.00 0.00 N ATOM 115 CA THR A 7 9.627 -4.484 -0.157 1.00 0.00 C ATOM 116 C THR A 7 10.822 -4.453 -1.116 1.00 0.00 C ATOM 117 O THR A 7 11.265 -5.493 -1.608 1.00 0.00 O ATOM 118 CB THR A 7 10.015 -4.028 1.268 1.00 0.00 C ATOM 119 OG1 THR A 7 11.291 -4.507 1.624 1.00 0.00 O ATOM 120 CG2 THR A 7 9.050 -4.452 2.372 1.00 0.00 C ATOM 0 H THR A 7 9.101 -6.421 0.473 1.00 0.00 H new ATOM 0 HA THR A 7 8.937 -3.735 -0.546 1.00 0.00 H new ATOM 0 HB THR A 7 9.988 -2.940 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.514 -4.204 2.529 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.411 -4.084 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.063 -4.036 2.172 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.986 -5.540 2.402 1.00 0.00 H new ATOM 128 N LEU A 8 11.364 -3.251 -1.349 1.00 0.00 N ATOM 129 CA LEU A 8 12.534 -2.988 -2.203 1.00 0.00 C ATOM 130 C LEU A 8 13.769 -3.796 -1.766 1.00 0.00 C ATOM 131 O LEU A 8 14.523 -4.281 -2.610 1.00 0.00 O ATOM 132 CB LEU A 8 12.875 -1.482 -2.154 1.00 0.00 C ATOM 133 CG LEU A 8 11.942 -0.491 -2.878 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.866 -0.757 -4.380 1.00 0.00 C ATOM 135 CD2 LEU A 8 10.523 -0.452 -2.307 1.00 0.00 C ATOM 0 H LEU A 8 10.986 -2.400 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 8 12.276 -3.295 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.922 -1.187 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.876 -1.356 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 8 12.400 0.483 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.197 -0.033 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.860 -0.664 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.487 -1.764 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.925 0.267 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.071 -1.441 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.561 -0.155 -1.259 1.00 0.00 H new ATOM 147 N THR A 9 13.952 -3.967 -0.452 1.00 0.00 N ATOM 148 CA THR A 9 15.012 -4.767 0.187 1.00 0.00 C ATOM 149 C THR A 9 14.853 -6.291 0.123 1.00 0.00 C ATOM 150 O THR A 9 15.584 -7.034 0.774 1.00 0.00 O ATOM 151 CB THR A 9 15.340 -4.281 1.618 1.00 0.00 C ATOM 152 OG1 THR A 9 14.876 -2.963 1.830 1.00 0.00 O ATOM 153 CG2 THR A 9 16.837 -4.293 1.926 1.00 0.00 C ATOM 0 H THR A 9 13.335 -3.530 0.233 1.00 0.00 H new ATOM 0 HA THR A 9 15.876 -4.574 -0.449 1.00 0.00 H new ATOM 0 HB THR A 9 14.834 -4.984 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.095 -2.682 2.743 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.002 -3.941 2.945 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.221 -5.308 1.826 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.357 -3.638 1.227 1.00 0.00 H new ATOM 161 N GLY A 10 13.844 -6.769 -0.610 1.00 0.00 N ATOM 162 CA GLY A 10 13.516 -8.187 -0.773 1.00 0.00 C ATOM 163 C GLY A 10 12.597 -8.772 0.311 1.00 0.00 C ATOM 164 O GLY A 10 12.011 -9.826 0.068 1.00 0.00 O ATOM 0 H GLY A 10 13.211 -6.157 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.040 -8.325 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.444 -8.759 -0.789 1.00 0.00 H new ATOM 168 N LYS A 11 12.405 -8.084 1.446 1.00 0.00 N ATOM 169 CA LYS A 11 11.608 -8.551 2.597 1.00 0.00 C ATOM 170 C LYS A 11 10.140 -8.835 2.233 1.00 0.00 C ATOM 171 O LYS A 11 9.515 -8.064 1.501 1.00 0.00 O ATOM 172 CB LYS A 11 11.692 -7.532 3.761 1.00 0.00 C ATOM 173 CG LYS A 11 13.099 -7.319 4.355 1.00 0.00 C ATOM 174 CD LYS A 11 13.546 -8.432 5.324 1.00 0.00 C ATOM 175 CE LYS A 11 12.895 -8.327 6.715 1.00 0.00 C ATOM 176 NZ LYS A 11 13.550 -7.325 7.593 1.00 0.00 N ATOM 0 H LYS A 11 12.810 -7.160 1.596 1.00 0.00 H new ATOM 0 HA LYS A 11 12.040 -9.500 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.316 -6.572 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.026 -7.862 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.820 -7.250 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.120 -6.364 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.303 -9.402 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.630 -8.394 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.843 -8.066 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.929 -9.303 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.067 -7.301 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.547 -7.585 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.495 -6.386 7.149 1.00 0.00 H new ATOM 190 N THR A 12 9.598 -9.906 2.817 1.00 0.00 N ATOM 191 CA THR A 12 8.161 -10.217 2.908 1.00 0.00 C ATOM 192 C THR A 12 7.518 -9.736 4.209 1.00 0.00 C ATOM 193 O THR A 12 7.901 -10.208 5.276 1.00 0.00 O ATOM 194 CB THR A 12 7.850 -11.712 2.679 1.00 0.00 C ATOM 195 OG1 THR A 12 8.726 -12.298 1.741 1.00 0.00 O ATOM 196 CG2 THR A 12 6.418 -11.942 2.201 1.00 0.00 C ATOM 0 H THR A 12 10.175 -10.619 3.263 1.00 0.00 H new ATOM 0 HA THR A 12 7.710 -9.653 2.091 1.00 0.00 H new ATOM 0 HB THR A 12 7.985 -12.184 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.497 -13.244 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.250 -13.009 2.055 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.720 -11.564 2.948 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.260 -11.418 1.259 1.00 0.00 H new ATOM 204 N ILE A 13 6.569 -8.800 4.148 1.00 0.00 N ATOM 205 CA ILE A 13 5.840 -8.283 5.319 1.00 0.00 C ATOM 206 C ILE A 13 4.504 -9.007 5.477 1.00 0.00 C ATOM 207 O ILE A 13 3.753 -9.117 4.510 1.00 0.00 O ATOM 208 CB ILE A 13 5.583 -6.766 5.195 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.803 -5.966 4.694 1.00 0.00 C ATOM 210 CG2 ILE A 13 5.033 -6.179 6.508 1.00 0.00 C ATOM 211 CD1 ILE A 13 8.061 -6.090 5.568 1.00 0.00 C ATOM 0 H ILE A 13 6.277 -8.369 3.271 1.00 0.00 H new ATOM 0 HA ILE A 13 6.461 -8.463 6.197 1.00 0.00 H new ATOM 0 HB ILE A 13 4.821 -6.661 4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.046 -6.296 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.527 -4.914 4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.863 -5.109 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.092 -6.669 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.753 -6.343 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.864 -5.493 5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.842 -5.730 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.370 -7.134 5.615 1.00 0.00 H new ATOM 223 N THR A 14 4.188 -9.438 6.697 1.00 0.00 N ATOM 224 CA THR A 14 2.904 -10.050 7.086 1.00 0.00 C ATOM 225 C THR A 14 1.841 -9.054 7.551 1.00 0.00 C ATOM 226 O THR A 14 2.098 -8.256 8.450 1.00 0.00 O ATOM 227 CB THR A 14 3.101 -11.134 8.158 1.00 0.00 C ATOM 228 OG1 THR A 14 4.202 -11.957 7.847 1.00 0.00 O ATOM 229 CG2 THR A 14 1.885 -12.041 8.320 1.00 0.00 C ATOM 0 H THR A 14 4.841 -9.371 7.478 1.00 0.00 H new ATOM 0 HA THR A 14 2.526 -10.500 6.168 1.00 0.00 H new ATOM 0 HB THR A 14 3.266 -10.591 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.309 -12.638 8.544 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.086 -12.785 9.091 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.021 -11.443 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.678 -12.544 7.375 1.00 0.00 H new ATOM 237 N LEU A 15 0.623 -9.143 7.005 1.00 0.00 N ATOM 238 CA LEU A 15 -0.550 -8.376 7.446 1.00 0.00 C ATOM 239 C LEU A 15 -1.782 -9.279 7.600 1.00 0.00 C ATOM 240 O LEU A 15 -1.878 -10.348 6.999 1.00 0.00 O ATOM 241 CB LEU A 15 -0.831 -7.218 6.469 1.00 0.00 C ATOM 242 CG LEU A 15 0.276 -6.153 6.388 1.00 0.00 C ATOM 243 CD1 LEU A 15 0.010 -5.219 5.206 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.371 -5.302 7.657 1.00 0.00 C ATOM 0 H LEU A 15 0.419 -9.766 6.224 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.331 -7.954 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.989 -7.633 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.761 -6.732 6.763 1.00 0.00 H new ATOM 0 HG LEU A 15 1.217 -6.689 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.797 -4.466 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.003 -5.797 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.954 -4.728 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.168 -4.568 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.576 -4.787 7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.588 -5.944 8.510 1.00 0.00 H new ATOM 256 N GLU A 16 -2.735 -8.820 8.408 1.00 0.00 N ATOM 257 CA GLU A 16 -3.938 -9.554 8.817 1.00 0.00 C ATOM 258 C GLU A 16 -5.160 -8.610 8.881 1.00 0.00 C ATOM 259 O GLU A 16 -5.128 -7.589 9.571 1.00 0.00 O ATOM 260 CB GLU A 16 -3.661 -10.339 10.124 1.00 0.00 C ATOM 261 CG GLU A 16 -3.072 -9.535 11.307 1.00 0.00 C ATOM 262 CD GLU A 16 -2.177 -10.353 12.267 1.00 0.00 C ATOM 263 OE1 GLU A 16 -2.351 -11.582 12.442 1.00 0.00 O ATOM 264 OE2 GLU A 16 -1.270 -9.736 12.869 1.00 0.00 O ATOM 0 H GLU A 16 -2.691 -7.886 8.815 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.195 -10.302 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.596 -10.792 10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.976 -11.154 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.489 -8.705 10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.893 -9.103 11.879 1.00 0.00 H new ATOM 271 N VAL A 17 -6.202 -8.919 8.092 1.00 0.00 N ATOM 272 CA VAL A 17 -7.360 -8.048 7.771 1.00 0.00 C ATOM 273 C VAL A 17 -8.613 -8.895 7.462 1.00 0.00 C ATOM 274 O VAL A 17 -8.523 -10.104 7.226 1.00 0.00 O ATOM 275 CB VAL A 17 -7.049 -7.146 6.547 1.00 0.00 C ATOM 276 CG1 VAL A 17 -6.030 -6.048 6.881 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.534 -7.920 5.325 1.00 0.00 C ATOM 0 H VAL A 17 -6.269 -9.828 7.634 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.551 -7.422 8.643 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.011 -6.701 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.844 -5.442 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.424 -5.415 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.097 -6.505 7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.338 -7.224 4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.613 -8.441 5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.285 -8.645 5.011 1.00 0.00 H new ATOM 287 N GLU A 18 -9.795 -8.275 7.444 1.00 0.00 N ATOM 288 CA GLU A 18 -11.082 -8.899 7.090 1.00 0.00 C ATOM 289 C GLU A 18 -11.379 -8.779 5.574 1.00 0.00 C ATOM 290 O GLU A 18 -11.028 -7.776 4.958 1.00 0.00 O ATOM 291 CB GLU A 18 -12.209 -8.251 7.930 1.00 0.00 C ATOM 292 CG GLU A 18 -12.883 -9.183 8.950 1.00 0.00 C ATOM 293 CD GLU A 18 -11.910 -10.001 9.811 1.00 0.00 C ATOM 294 OE1 GLU A 18 -11.179 -9.421 10.639 1.00 0.00 O ATOM 295 OE2 GLU A 18 -11.917 -11.251 9.675 1.00 0.00 O ATOM 0 H GLU A 18 -9.891 -7.288 7.684 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.028 -9.964 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.797 -7.394 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.972 -7.868 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.514 -8.585 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.540 -9.870 8.416 1.00 0.00 H new ATOM 302 N PRO A 19 -12.087 -9.733 4.928 1.00 0.00 N ATOM 303 CA PRO A 19 -12.364 -9.691 3.477 1.00 0.00 C ATOM 304 C PRO A 19 -13.334 -8.576 3.048 1.00 0.00 C ATOM 305 O PRO A 19 -13.508 -8.349 1.852 1.00 0.00 O ATOM 306 CB PRO A 19 -12.942 -11.072 3.148 1.00 0.00 C ATOM 307 CG PRO A 19 -13.650 -11.471 4.443 1.00 0.00 C ATOM 308 CD PRO A 19 -12.752 -10.884 5.532 1.00 0.00 C ATOM 0 HA PRO A 19 -11.448 -9.462 2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.634 -11.029 2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.160 -11.783 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.660 -11.063 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.739 -12.553 4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.338 -10.585 6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.024 -11.619 5.876 1.00 0.00 H new ATOM 316 N SER A 20 -13.975 -7.895 4.005 1.00 0.00 N ATOM 317 CA SER A 20 -14.799 -6.699 3.764 1.00 0.00 C ATOM 318 C SER A 20 -14.024 -5.380 3.906 1.00 0.00 C ATOM 319 O SER A 20 -14.604 -4.322 3.668 1.00 0.00 O ATOM 320 CB SER A 20 -16.000 -6.686 4.714 1.00 0.00 C ATOM 321 OG SER A 20 -16.837 -7.805 4.471 1.00 0.00 O ATOM 0 H SER A 20 -13.936 -8.163 4.988 1.00 0.00 H new ATOM 0 HA SER A 20 -15.130 -6.764 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.654 -6.701 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.567 -5.765 4.581 1.00 0.00 H new ATOM 0 HG SER A 20 -17.599 -7.783 5.087 1.00 0.00 H new ATOM 327 N ASP A 21 -12.748 -5.405 4.315 1.00 0.00 N ATOM 328 CA ASP A 21 -11.980 -4.187 4.560 1.00 0.00 C ATOM 329 C ASP A 21 -11.817 -3.250 3.352 1.00 0.00 C ATOM 330 O ASP A 21 -11.397 -3.656 2.261 1.00 0.00 O ATOM 331 CB ASP A 21 -10.657 -4.464 5.309 1.00 0.00 C ATOM 332 CG ASP A 21 -10.816 -4.740 6.812 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.790 -4.240 7.422 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.935 -5.407 7.402 1.00 0.00 O ATOM 0 H ASP A 21 -12.227 -6.266 4.483 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.608 -3.606 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.166 -5.320 4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.995 -3.608 5.179 1.00 0.00 H new ATOM 339 N THR A 22 -12.142 -1.969 3.561 1.00 0.00 N ATOM 340 CA THR A 22 -11.850 -0.900 2.600 1.00 0.00 C ATOM 341 C THR A 22 -10.360 -0.687 2.359 1.00 0.00 C ATOM 342 O THR A 22 -9.545 -0.845 3.271 1.00 0.00 O ATOM 343 CB THR A 22 -12.614 0.424 2.833 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.871 1.319 3.636 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.987 0.252 3.481 1.00 0.00 C ATOM 0 H THR A 22 -12.616 -1.644 4.404 1.00 0.00 H new ATOM 0 HA THR A 22 -12.260 -1.285 1.666 1.00 0.00 H new ATOM 0 HB THR A 22 -12.758 0.824 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.381 2.146 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.454 1.229 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.615 -0.370 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.873 -0.225 4.454 1.00 0.00 H new ATOM 353 N ILE A 23 -9.982 -0.287 1.141 1.00 0.00 N ATOM 354 CA ILE A 23 -8.580 -0.061 0.783 1.00 0.00 C ATOM 355 C ILE A 23 -7.934 1.040 1.651 1.00 0.00 C ATOM 356 O ILE A 23 -6.727 0.987 1.879 1.00 0.00 O ATOM 357 CB ILE A 23 -8.466 0.164 -0.747 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.762 -1.112 -1.572 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.083 0.682 -1.161 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.914 -2.361 -1.271 1.00 0.00 C ATOM 0 H ILE A 23 -10.637 -0.112 0.379 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.992 -0.950 1.010 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.224 0.916 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.810 -1.373 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.639 -0.867 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.056 0.823 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.888 1.633 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.321 -0.042 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.227 -3.179 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.862 -2.138 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.051 -2.652 -0.229 1.00 0.00 H new ATOM 372 N GLU A 24 -8.713 1.978 2.216 1.00 0.00 N ATOM 373 CA GLU A 24 -8.236 2.909 3.254 1.00 0.00 C ATOM 374 C GLU A 24 -7.902 2.192 4.574 1.00 0.00 C ATOM 375 O GLU A 24 -6.824 2.418 5.119 1.00 0.00 O ATOM 376 CB GLU A 24 -9.248 4.051 3.487 1.00 0.00 C ATOM 377 CG GLU A 24 -8.760 5.032 4.576 1.00 0.00 C ATOM 378 CD GLU A 24 -9.740 6.156 4.948 1.00 0.00 C ATOM 379 OE1 GLU A 24 -10.787 6.312 4.277 1.00 0.00 O ATOM 380 OE2 GLU A 24 -9.436 6.847 5.955 1.00 0.00 O ATOM 0 H GLU A 24 -9.693 2.113 1.966 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.308 3.345 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.407 4.592 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.210 3.631 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.531 4.462 5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.827 5.485 4.240 1.00 0.00 H new ATOM 387 N ASN A 25 -8.770 1.305 5.077 1.00 0.00 N ATOM 388 CA ASN A 25 -8.538 0.590 6.342 1.00 0.00 C ATOM 389 C ASN A 25 -7.250 -0.252 6.280 1.00 0.00 C ATOM 390 O ASN A 25 -6.439 -0.237 7.207 1.00 0.00 O ATOM 391 CB ASN A 25 -9.774 -0.267 6.692 1.00 0.00 C ATOM 392 CG ASN A 25 -10.321 0.068 8.070 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.602 0.183 9.050 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.615 0.223 8.201 1.00 0.00 N ATOM 0 H ASN A 25 -9.650 1.062 4.622 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.394 1.319 7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.551 -0.107 5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.507 -1.323 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.013 0.438 9.115 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.225 0.129 7.389 1.00 0.00 H new ATOM 401 N VAL A 26 -7.000 -0.915 5.146 1.00 0.00 N ATOM 402 CA VAL A 26 -5.717 -1.592 4.875 1.00 0.00 C ATOM 403 C VAL A 26 -4.529 -0.617 4.817 1.00 0.00 C ATOM 404 O VAL A 26 -3.485 -0.880 5.421 1.00 0.00 O ATOM 405 CB VAL A 26 -5.782 -2.449 3.594 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.558 -3.366 3.467 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.031 -3.340 3.529 1.00 0.00 C ATOM 0 H VAL A 26 -7.677 -1.000 4.388 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.545 -2.256 5.722 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.813 -1.728 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.638 -3.955 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.652 -2.761 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.514 -4.035 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.018 -3.918 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.038 -4.019 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.925 -2.716 3.555 1.00 0.00 H new ATOM 417 N LYS A 27 -4.688 0.540 4.150 1.00 0.00 N ATOM 418 CA LYS A 27 -3.681 1.616 4.121 1.00 0.00 C ATOM 419 C LYS A 27 -3.413 2.249 5.487 1.00 0.00 C ATOM 420 O LYS A 27 -2.355 2.848 5.632 1.00 0.00 O ATOM 421 CB LYS A 27 -4.074 2.729 3.119 1.00 0.00 C ATOM 422 CG LYS A 27 -3.061 2.852 1.973 1.00 0.00 C ATOM 423 CD LYS A 27 -3.168 1.743 0.913 1.00 0.00 C ATOM 424 CE LYS A 27 -4.350 1.917 -0.047 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.225 3.087 -0.950 1.00 0.00 N ATOM 0 H LYS A 27 -5.527 0.756 3.611 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.760 1.129 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.061 2.516 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.145 3.681 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.196 3.818 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.054 2.843 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.244 1.715 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.259 0.780 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.451 1.015 -0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.266 2.016 0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.318 2.775 -1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.974 3.775 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.295 3.533 -0.814 1.00 0.00 H new ATOM 439 N ALA A 28 -4.325 2.128 6.452 1.00 0.00 N ATOM 440 CA ALA A 28 -4.129 2.569 7.835 1.00 0.00 C ATOM 441 C ALA A 28 -3.421 1.497 8.683 1.00 0.00 C ATOM 442 O ALA A 28 -2.353 1.749 9.245 1.00 0.00 O ATOM 443 CB ALA A 28 -5.491 2.968 8.421 1.00 0.00 C ATOM 0 H ALA A 28 -5.242 1.711 6.291 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.469 3.437 7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.361 3.299 9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.918 3.779 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.163 2.110 8.398 1.00 0.00 H new ATOM 449 N LYS A 29 -3.959 0.266 8.717 1.00 0.00 N ATOM 450 CA LYS A 29 -3.423 -0.852 9.521 1.00 0.00 C ATOM 451 C LYS A 29 -1.944 -1.154 9.269 1.00 0.00 C ATOM 452 O LYS A 29 -1.237 -1.546 10.194 1.00 0.00 O ATOM 453 CB LYS A 29 -4.284 -2.112 9.309 1.00 0.00 C ATOM 454 CG LYS A 29 -5.580 -2.056 10.130 1.00 0.00 C ATOM 455 CD LYS A 29 -6.484 -3.270 9.845 1.00 0.00 C ATOM 456 CE LYS A 29 -7.576 -3.477 10.909 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.006 -3.959 12.194 1.00 0.00 N ATOM 0 H LYS A 29 -4.789 0.013 8.181 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.478 -0.534 10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.527 -2.214 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.712 -2.996 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.337 -2.024 11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.119 -1.138 9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.955 -3.143 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.868 -4.167 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.105 -2.539 11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.309 -4.196 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.777 -4.248 12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.383 -4.772 12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.459 -3.195 12.639 1.00 0.00 H new ATOM 471 N ILE A 30 -1.452 -0.926 8.049 1.00 0.00 N ATOM 472 CA ILE A 30 -0.032 -1.120 7.709 1.00 0.00 C ATOM 473 C ILE A 30 0.915 -0.201 8.511 1.00 0.00 C ATOM 474 O ILE A 30 2.045 -0.604 8.798 1.00 0.00 O ATOM 475 CB ILE A 30 0.169 -0.951 6.188 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.517 -1.563 5.760 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.073 0.511 5.732 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.659 -1.682 4.235 1.00 0.00 C ATOM 0 H ILE A 30 -2.022 -0.602 7.267 1.00 0.00 H new ATOM 0 HA ILE A 30 0.236 -2.137 7.995 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.646 -1.484 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.329 -0.949 6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.621 -2.551 6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.223 0.566 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.911 0.906 5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.839 1.100 6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.628 -2.119 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.865 -2.319 3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.585 -0.692 3.784 1.00 0.00 H new ATOM 490 N GLN A 31 0.491 1.009 8.903 1.00 0.00 N ATOM 491 CA GLN A 31 1.310 1.872 9.760 1.00 0.00 C ATOM 492 C GLN A 31 1.334 1.413 11.227 1.00 0.00 C ATOM 493 O GLN A 31 2.375 1.519 11.872 1.00 0.00 O ATOM 494 CB GLN A 31 0.890 3.347 9.644 1.00 0.00 C ATOM 495 CG GLN A 31 1.325 4.005 8.319 1.00 0.00 C ATOM 496 CD GLN A 31 0.166 4.233 7.358 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.817 4.878 7.676 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.247 3.750 6.139 1.00 0.00 N ATOM 0 H GLN A 31 -0.410 1.409 8.641 1.00 0.00 H new ATOM 0 HA GLN A 31 2.332 1.782 9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.194 3.417 9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.318 3.906 10.476 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.804 4.960 8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.072 3.376 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.064 3.208 5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.507 3.917 5.473 1.00 0.00 H new ATOM 507 N ASP A 32 0.233 0.855 11.742 1.00 0.00 N ATOM 508 CA ASP A 32 0.139 0.318 13.115 1.00 0.00 C ATOM 509 C ASP A 32 1.009 -0.965 13.185 1.00 0.00 C ATOM 510 O ASP A 32 1.831 -1.101 14.092 1.00 0.00 O ATOM 511 CB ASP A 32 -1.356 0.028 13.407 1.00 0.00 C ATOM 512 CG ASP A 32 -1.798 0.225 14.873 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.972 0.094 15.805 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.992 0.529 15.102 1.00 0.00 O ATOM 0 H ASP A 32 -0.634 0.760 11.213 1.00 0.00 H new ATOM 0 HA ASP A 32 0.505 1.019 13.865 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.964 0.673 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.572 -1.000 13.116 1.00 0.00 H new ATOM 519 N LYS A 33 0.919 -1.866 12.188 1.00 0.00 N ATOM 520 CA LYS A 33 1.583 -3.191 12.199 1.00 0.00 C ATOM 521 C LYS A 33 3.083 -3.168 11.848 1.00 0.00 C ATOM 522 O LYS A 33 3.834 -3.964 12.407 1.00 0.00 O ATOM 523 CB LYS A 33 0.813 -4.150 11.262 1.00 0.00 C ATOM 524 CG LYS A 33 0.556 -5.554 11.842 1.00 0.00 C ATOM 525 CD LYS A 33 1.817 -6.402 12.091 1.00 0.00 C ATOM 526 CE LYS A 33 1.457 -7.875 12.327 1.00 0.00 C ATOM 527 NZ LYS A 33 0.688 -8.087 13.577 1.00 0.00 N ATOM 0 H LYS A 33 0.378 -1.696 11.341 1.00 0.00 H new ATOM 0 HA LYS A 33 1.549 -3.545 13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.145 -3.696 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.372 -4.253 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.018 -5.447 12.784 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.099 -6.097 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.488 -6.321 11.235 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.355 -6.013 12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.875 -8.242 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.372 -8.466 12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.191 -8.766 14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.587 -7.182 14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.254 -8.462 13.346 1.00 0.00 H new ATOM 541 N GLU A 34 3.524 -2.321 10.911 1.00 0.00 N ATOM 542 CA GLU A 34 4.929 -2.281 10.443 1.00 0.00 C ATOM 543 C GLU A 34 5.492 -0.855 10.286 1.00 0.00 C ATOM 544 O GLU A 34 6.681 -0.637 10.508 1.00 0.00 O ATOM 545 CB GLU A 34 5.032 -3.079 9.128 1.00 0.00 C ATOM 546 CG GLU A 34 6.447 -3.230 8.529 1.00 0.00 C ATOM 547 CD GLU A 34 7.391 -4.183 9.296 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.021 -4.645 10.402 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.492 -4.475 8.769 1.00 0.00 O ATOM 0 H GLU A 34 2.921 -1.639 10.450 1.00 0.00 H new ATOM 0 HA GLU A 34 5.551 -2.739 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.625 -4.075 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.395 -2.598 8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.353 -3.586 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.911 -2.245 8.483 1.00 0.00 H new ATOM 556 N GLY A 35 4.652 0.134 9.958 1.00 0.00 N ATOM 557 CA GLY A 35 5.070 1.540 9.882 1.00 0.00 C ATOM 558 C GLY A 35 5.478 2.018 8.484 1.00 0.00 C ATOM 559 O GLY A 35 6.452 2.759 8.379 1.00 0.00 O ATOM 0 H GLY A 35 3.667 -0.016 9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.253 2.166 10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.909 1.692 10.561 1.00 0.00 H new ATOM 563 N ILE A 36 4.750 1.609 7.431 1.00 0.00 N ATOM 564 CA ILE A 36 4.971 2.019 6.026 1.00 0.00 C ATOM 565 C ILE A 36 3.980 3.151 5.644 1.00 0.00 C ATOM 566 O ILE A 36 2.830 2.844 5.315 1.00 0.00 O ATOM 567 CB ILE A 36 4.835 0.778 5.092 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.855 -0.326 5.470 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.986 1.133 3.600 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.702 -1.644 4.694 1.00 0.00 C ATOM 0 H ILE A 36 3.966 0.964 7.533 1.00 0.00 H new ATOM 0 HA ILE A 36 5.979 2.415 5.906 1.00 0.00 H new ATOM 0 HB ILE A 36 3.823 0.401 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.862 0.059 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.762 -0.536 6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.882 0.230 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.214 1.849 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.969 1.572 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.459 -2.353 5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.711 -2.060 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.827 -1.455 3.628 1.00 0.00 H new ATOM 582 N PRO A 37 4.352 4.449 5.713 1.00 0.00 N ATOM 583 CA PRO A 37 3.440 5.572 5.458 1.00 0.00 C ATOM 584 C PRO A 37 3.325 5.964 3.963 1.00 0.00 C ATOM 585 O PRO A 37 4.273 5.769 3.187 1.00 0.00 O ATOM 586 CB PRO A 37 4.000 6.733 6.282 1.00 0.00 C ATOM 587 CG PRO A 37 5.503 6.490 6.211 1.00 0.00 C ATOM 588 CD PRO A 37 5.595 4.967 6.274 1.00 0.00 C ATOM 0 HA PRO A 37 2.424 5.297 5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.725 7.700 5.861 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.634 6.716 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.935 6.885 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.030 6.963 7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.454 4.607 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.726 4.629 7.302 1.00 0.00 H new ATOM 596 N PRO A 38 2.203 6.598 3.554 1.00 0.00 N ATOM 597 CA PRO A 38 1.984 7.081 2.185 1.00 0.00 C ATOM 598 C PRO A 38 2.890 8.268 1.793 1.00 0.00 C ATOM 599 O PRO A 38 3.019 8.586 0.605 1.00 0.00 O ATOM 600 CB PRO A 38 0.505 7.481 2.139 1.00 0.00 C ATOM 601 CG PRO A 38 0.220 7.926 3.571 1.00 0.00 C ATOM 602 CD PRO A 38 1.061 6.952 4.394 1.00 0.00 C ATOM 0 HA PRO A 38 2.238 6.303 1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.327 8.285 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.129 6.645 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.516 8.961 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.840 7.853 3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.390 7.411 5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.484 6.067 4.661 1.00 0.00 H new ATOM 610 N ASP A 39 3.519 8.936 2.762 1.00 0.00 N ATOM 611 CA ASP A 39 4.456 10.054 2.587 1.00 0.00 C ATOM 612 C ASP A 39 5.738 9.617 1.853 1.00 0.00 C ATOM 613 O ASP A 39 6.397 10.445 1.226 1.00 0.00 O ATOM 614 CB ASP A 39 4.898 10.598 3.965 1.00 0.00 C ATOM 615 CG ASP A 39 3.800 10.931 4.985 1.00 0.00 C ATOM 616 OD1 ASP A 39 2.831 10.152 5.106 1.00 0.00 O ATOM 617 OD2 ASP A 39 3.975 11.938 5.713 1.00 0.00 O ATOM 0 H ASP A 39 3.383 8.701 3.745 1.00 0.00 H new ATOM 0 HA ASP A 39 3.931 10.811 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.565 9.864 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.485 11.501 3.797 1.00 0.00 H new ATOM 622 N GLN A 40 6.105 8.332 1.950 1.00 0.00 N ATOM 623 CA GLN A 40 7.468 7.833 1.706 1.00 0.00 C ATOM 624 C GLN A 40 7.523 6.567 0.821 1.00 0.00 C ATOM 625 O GLN A 40 8.549 6.282 0.205 1.00 0.00 O ATOM 626 CB GLN A 40 8.117 7.681 3.097 1.00 0.00 C ATOM 627 CG GLN A 40 9.534 7.087 3.146 1.00 0.00 C ATOM 628 CD GLN A 40 9.510 5.581 3.377 1.00 0.00 C ATOM 629 OE1 GLN A 40 8.841 5.070 4.263 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.192 4.812 2.562 1.00 0.00 N ATOM 0 H GLN A 40 5.450 7.593 2.206 1.00 0.00 H new ATOM 0 HA GLN A 40 8.040 8.538 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.146 8.664 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.466 7.055 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.051 7.303 2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.102 7.568 3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.754 5.228 1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.161 3.798 2.671 1.00 0.00 H new ATOM 639 N ASN A 41 6.404 5.854 0.651 1.00 0.00 N ATOM 640 CA ASN A 41 6.271 4.672 -0.212 1.00 0.00 C ATOM 641 C ASN A 41 4.782 4.421 -0.603 1.00 0.00 C ATOM 642 O ASN A 41 3.902 5.085 -0.053 1.00 0.00 O ATOM 643 CB ASN A 41 6.950 3.427 0.418 1.00 0.00 C ATOM 644 CG ASN A 41 7.302 3.346 1.896 1.00 0.00 C ATOM 645 OD1 ASN A 41 8.280 2.699 2.233 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.608 3.966 2.823 1.00 0.00 N ATOM 0 H ASN A 41 5.534 6.092 1.127 1.00 0.00 H new ATOM 0 HA ASN A 41 6.805 4.871 -1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.301 2.577 0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.877 3.266 -0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.891 3.901 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.787 4.513 2.565 1.00 0.00 H new ATOM 653 N ARG A 42 4.467 3.499 -1.536 1.00 0.00 N ATOM 654 CA ARG A 42 3.100 3.230 -2.051 1.00 0.00 C ATOM 655 C ARG A 42 2.877 1.762 -2.441 1.00 0.00 C ATOM 656 O ARG A 42 3.701 1.164 -3.118 1.00 0.00 O ATOM 657 CB ARG A 42 2.790 4.143 -3.259 1.00 0.00 C ATOM 658 CG ARG A 42 2.366 5.564 -2.858 1.00 0.00 C ATOM 659 CD ARG A 42 1.954 6.398 -4.081 1.00 0.00 C ATOM 660 NE ARG A 42 1.265 7.634 -3.663 1.00 0.00 N ATOM 661 CZ ARG A 42 1.300 8.822 -4.241 1.00 0.00 C ATOM 662 NH1 ARG A 42 1.977 9.078 -5.325 1.00 0.00 N ATOM 663 NH2 ARG A 42 0.640 9.813 -3.722 1.00 0.00 N ATOM 0 H ARG A 42 5.173 2.902 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 42 2.416 3.450 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.672 4.202 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.997 3.689 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.534 5.511 -2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.189 6.058 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.836 6.649 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.299 5.810 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 42 0.690 7.563 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.519 8.340 -5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.965 10.017 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.096 9.673 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.665 10.731 -4.166 1.00 0.00 H new ATOM 677 N LEU A 43 1.745 1.175 -2.043 1.00 0.00 N ATOM 678 CA LEU A 43 1.383 -0.218 -2.366 1.00 0.00 C ATOM 679 C LEU A 43 0.972 -0.384 -3.842 1.00 0.00 C ATOM 680 O LEU A 43 0.114 0.356 -4.333 1.00 0.00 O ATOM 681 CB LEU A 43 0.239 -0.684 -1.435 1.00 0.00 C ATOM 682 CG LEU A 43 0.700 -1.554 -0.251 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.723 -0.858 0.646 1.00 0.00 C ATOM 684 CD2 LEU A 43 -0.505 -1.911 0.622 1.00 0.00 C ATOM 0 H LEU A 43 1.042 1.655 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 43 2.265 -0.839 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.278 0.194 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.486 -1.246 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 43 1.168 -2.437 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.006 -1.525 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.607 -0.604 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.287 0.052 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.178 -2.527 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.963 -0.997 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.233 -2.463 0.028 1.00 0.00 H new ATOM 696 N ILE A 44 1.533 -1.398 -4.507 1.00 0.00 N ATOM 697 CA ILE A 44 1.126 -1.854 -5.861 1.00 0.00 C ATOM 698 C ILE A 44 0.567 -3.292 -5.835 1.00 0.00 C ATOM 699 O ILE A 44 1.065 -4.136 -5.092 1.00 0.00 O ATOM 700 CB ILE A 44 2.324 -1.743 -6.837 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.968 -0.340 -6.860 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.972 -2.179 -8.274 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.061 0.799 -7.336 1.00 0.00 C ATOM 0 H ILE A 44 2.302 -1.945 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 44 0.323 -1.205 -6.211 1.00 0.00 H new ATOM 0 HB ILE A 44 3.060 -2.441 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.319 -0.105 -5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.846 -0.374 -7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.851 -2.079 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.644 -3.219 -8.269 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.171 -1.548 -8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.614 1.738 -7.313 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.729 0.598 -8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.194 0.872 -6.680 1.00 0.00 H new ATOM 715 N PHE A 45 -0.410 -3.630 -6.683 1.00 0.00 N ATOM 716 CA PHE A 45 -0.821 -5.027 -6.916 1.00 0.00 C ATOM 717 C PHE A 45 -1.115 -5.412 -8.379 1.00 0.00 C ATOM 718 O PHE A 45 -1.876 -4.728 -9.054 1.00 0.00 O ATOM 719 CB PHE A 45 -1.884 -5.468 -5.899 1.00 0.00 C ATOM 720 CG PHE A 45 -2.537 -6.812 -6.166 1.00 0.00 C ATOM 721 CD1 PHE A 45 -3.693 -6.903 -6.964 1.00 0.00 C ATOM 722 CD2 PHE A 45 -1.990 -7.979 -5.597 1.00 0.00 C ATOM 723 CE1 PHE A 45 -4.298 -8.153 -7.183 1.00 0.00 C ATOM 724 CE2 PHE A 45 -2.601 -9.227 -5.811 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.760 -9.314 -6.602 1.00 0.00 C ATOM 0 H PHE A 45 -0.939 -2.949 -7.228 1.00 0.00 H new ATOM 0 HA PHE A 45 0.067 -5.630 -6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.424 -5.499 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.664 -4.707 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.115 -6.013 -7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.097 -7.915 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.181 -8.221 -7.801 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.181 -10.118 -5.368 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.235 -10.270 -6.763 1.00 0.00 H new ATOM 735 N ALA A 46 -0.490 -6.484 -8.888 1.00 0.00 N ATOM 736 CA ALA A 46 -0.665 -6.997 -10.260 1.00 0.00 C ATOM 737 C ALA A 46 -0.541 -5.938 -11.392 1.00 0.00 C ATOM 738 O ALA A 46 -1.224 -6.015 -12.415 1.00 0.00 O ATOM 739 CB ALA A 46 -1.959 -7.824 -10.319 1.00 0.00 C ATOM 0 H ALA A 46 0.171 -7.036 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 46 0.185 -7.645 -10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.099 -8.209 -11.329 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.891 -8.657 -9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.806 -7.193 -10.050 1.00 0.00 H new ATOM 745 N GLY A 47 0.319 -4.929 -11.198 1.00 0.00 N ATOM 746 CA GLY A 47 0.517 -3.800 -12.125 1.00 0.00 C ATOM 747 C GLY A 47 -0.507 -2.658 -12.006 1.00 0.00 C ATOM 748 O GLY A 47 -0.336 -1.626 -12.653 1.00 0.00 O ATOM 0 H GLY A 47 0.913 -4.871 -10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.514 -3.389 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.492 -4.182 -13.146 1.00 0.00 H new ATOM 752 N LYS A 48 -1.538 -2.798 -11.164 1.00 0.00 N ATOM 753 CA LYS A 48 -2.456 -1.720 -10.767 1.00 0.00 C ATOM 754 C LYS A 48 -2.044 -1.067 -9.438 1.00 0.00 C ATOM 755 O LYS A 48 -1.523 -1.716 -8.529 1.00 0.00 O ATOM 756 CB LYS A 48 -3.909 -2.243 -10.745 1.00 0.00 C ATOM 757 CG LYS A 48 -4.519 -2.369 -12.155 1.00 0.00 C ATOM 758 CD LYS A 48 -5.970 -2.893 -12.097 1.00 0.00 C ATOM 759 CE LYS A 48 -6.782 -2.647 -13.382 1.00 0.00 C ATOM 760 NZ LYS A 48 -6.331 -3.449 -14.545 1.00 0.00 N ATOM 0 H LYS A 48 -1.765 -3.691 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.397 -0.928 -11.513 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.933 -3.217 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.524 -1.570 -10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.501 -1.397 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.911 -3.044 -12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.950 -3.963 -11.893 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.483 -2.418 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.831 -2.870 -13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.724 -1.589 -13.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.925 -3.229 -15.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.340 -3.220 -14.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.412 -4.461 -14.321 1.00 0.00 H new ATOM 774 N GLN A 49 -2.290 0.234 -9.317 1.00 0.00 N ATOM 775 CA GLN A 49 -2.313 0.943 -8.030 1.00 0.00 C ATOM 776 C GLN A 49 -3.673 0.659 -7.340 1.00 0.00 C ATOM 777 O GLN A 49 -4.602 0.164 -7.978 1.00 0.00 O ATOM 778 CB GLN A 49 -2.096 2.449 -8.302 1.00 0.00 C ATOM 779 CG GLN A 49 -1.091 3.139 -7.364 1.00 0.00 C ATOM 780 CD GLN A 49 -1.657 3.460 -5.987 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.360 4.433 -5.791 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.494 2.614 -4.993 1.00 0.00 N ATOM 0 H GLN A 49 -2.482 0.838 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.521 0.604 -7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.755 2.572 -9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.056 2.960 -8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.218 2.497 -7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.748 4.063 -7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.912 1.786 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.950 2.786 -4.097 1.00 0.00 H new ATOM 791 N LEU A 50 -3.795 0.973 -6.048 1.00 0.00 N ATOM 792 CA LEU A 50 -4.969 0.684 -5.218 1.00 0.00 C ATOM 793 C LEU A 50 -5.482 1.980 -4.552 1.00 0.00 C ATOM 794 O LEU A 50 -4.921 2.429 -3.542 1.00 0.00 O ATOM 795 CB LEU A 50 -4.612 -0.401 -4.172 1.00 0.00 C ATOM 796 CG LEU A 50 -4.062 -1.724 -4.727 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.641 -2.611 -3.554 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.095 -2.486 -5.552 1.00 0.00 C ATOM 0 H LEU A 50 -3.056 1.451 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.775 0.297 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.875 0.015 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.505 -0.620 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.221 -1.482 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.248 -3.554 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.870 -2.105 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.504 -2.807 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.655 -3.413 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.959 -2.717 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.410 -1.873 -6.397 1.00 0.00 H new ATOM 810 N GLU A 51 -6.526 2.581 -5.131 1.00 0.00 N ATOM 811 CA GLU A 51 -7.164 3.819 -4.655 1.00 0.00 C ATOM 812 C GLU A 51 -8.222 3.541 -3.562 1.00 0.00 C ATOM 813 O GLU A 51 -8.636 2.405 -3.342 1.00 0.00 O ATOM 814 CB GLU A 51 -7.731 4.574 -5.880 1.00 0.00 C ATOM 815 CG GLU A 51 -7.863 6.095 -5.669 1.00 0.00 C ATOM 816 CD GLU A 51 -8.525 6.832 -6.846 1.00 0.00 C ATOM 817 OE1 GLU A 51 -9.689 6.507 -7.183 1.00 0.00 O ATOM 818 OE2 GLU A 51 -7.919 7.776 -7.400 1.00 0.00 O ATOM 0 H GLU A 51 -6.967 2.209 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.426 4.456 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.085 4.391 -6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.711 4.165 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.445 6.278 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.872 6.516 -5.501 1.00 0.00 H new ATOM 825 N ASP A 52 -8.633 4.582 -2.836 1.00 0.00 N ATOM 826 CA ASP A 52 -9.715 4.563 -1.841 1.00 0.00 C ATOM 827 C ASP A 52 -11.110 4.157 -2.351 1.00 0.00 C ATOM 828 O ASP A 52 -11.357 4.003 -3.539 1.00 0.00 O ATOM 829 CB ASP A 52 -9.730 5.895 -1.080 1.00 0.00 C ATOM 830 CG ASP A 52 -9.626 7.095 -2.007 1.00 0.00 C ATOM 831 OD1 ASP A 52 -10.629 7.410 -2.691 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.518 7.679 -2.114 1.00 0.00 O ATOM 0 H ASP A 52 -8.204 5.503 -2.927 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.477 3.744 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.649 5.967 -0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.902 5.914 -0.371 1.00 0.00 H new ATOM 837 N GLY A 53 -12.052 3.918 -1.430 1.00 0.00 N ATOM 838 CA GLY A 53 -13.460 3.582 -1.752 1.00 0.00 C ATOM 839 C GLY A 53 -13.692 2.193 -2.366 1.00 0.00 C ATOM 840 O GLY A 53 -14.826 1.803 -2.632 1.00 0.00 O ATOM 0 H GLY A 53 -11.864 3.951 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.050 3.658 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.844 4.333 -2.443 1.00 0.00 H new ATOM 844 N ARG A 54 -12.631 1.417 -2.597 1.00 0.00 N ATOM 845 CA ARG A 54 -12.654 0.017 -3.057 1.00 0.00 C ATOM 846 C ARG A 54 -12.454 -0.938 -1.864 1.00 0.00 C ATOM 847 O ARG A 54 -12.044 -0.497 -0.790 1.00 0.00 O ATOM 848 CB ARG A 54 -11.548 -0.147 -4.132 1.00 0.00 C ATOM 849 CG ARG A 54 -11.592 0.854 -5.313 1.00 0.00 C ATOM 850 CD ARG A 54 -12.465 0.409 -6.498 1.00 0.00 C ATOM 851 NE ARG A 54 -13.870 0.200 -6.101 1.00 0.00 N ATOM 852 CZ ARG A 54 -14.580 -0.891 -6.321 1.00 0.00 C ATOM 853 NH1 ARG A 54 -14.225 -1.798 -7.186 1.00 0.00 N ATOM 854 NH2 ARG A 54 -15.666 -1.134 -5.654 1.00 0.00 N ATOM 0 H ARG A 54 -11.680 1.761 -2.463 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.618 -0.235 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.578 -0.058 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.610 -1.157 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.961 1.812 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.575 1.020 -5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.419 1.162 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.065 -0.515 -6.916 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.334 0.966 -5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.368 -1.680 -7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.805 -2.626 -7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.986 -0.476 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.200 -1.983 -5.840 1.00 0.00 H new ATOM 868 N THR A 55 -12.726 -2.229 -2.048 1.00 0.00 N ATOM 869 CA THR A 55 -12.375 -3.321 -1.109 1.00 0.00 C ATOM 870 C THR A 55 -11.205 -4.207 -1.575 1.00 0.00 C ATOM 871 O THR A 55 -10.698 -4.055 -2.688 1.00 0.00 O ATOM 872 CB THR A 55 -13.605 -4.167 -0.739 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.888 -5.039 -1.806 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.864 -3.361 -0.405 1.00 0.00 C ATOM 0 H THR A 55 -13.212 -2.566 -2.879 1.00 0.00 H new ATOM 0 HA THR A 55 -12.017 -2.819 -0.210 1.00 0.00 H new ATOM 0 HB THR A 55 -13.344 -4.701 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.329 -4.542 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.677 -4.043 -0.157 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.664 -2.710 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.148 -2.756 -1.266 1.00 0.00 H new ATOM 882 N LEU A 56 -10.778 -5.154 -0.733 1.00 0.00 N ATOM 883 CA LEU A 56 -9.839 -6.222 -1.103 1.00 0.00 C ATOM 884 C LEU A 56 -10.411 -7.148 -2.193 1.00 0.00 C ATOM 885 O LEU A 56 -9.781 -7.332 -3.236 1.00 0.00 O ATOM 886 CB LEU A 56 -9.531 -7.043 0.155 1.00 0.00 C ATOM 887 CG LEU A 56 -8.631 -6.311 1.169 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.748 -6.970 2.539 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.160 -6.358 0.743 1.00 0.00 C ATOM 0 H LEU A 56 -11.079 -5.202 0.240 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.937 -5.765 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.469 -7.310 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.048 -7.975 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.962 -5.273 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.109 -6.447 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.783 -6.923 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.436 -8.012 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.551 -5.833 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.834 -7.396 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.047 -5.879 -0.229 1.00 0.00 H new ATOM 901 N SER A 57 -11.614 -7.694 -1.962 1.00 0.00 N ATOM 902 CA SER A 57 -12.332 -8.547 -2.926 1.00 0.00 C ATOM 903 C SER A 57 -12.510 -7.871 -4.294 1.00 0.00 C ATOM 904 O SER A 57 -12.313 -8.504 -5.332 1.00 0.00 O ATOM 905 CB SER A 57 -13.698 -8.945 -2.349 1.00 0.00 C ATOM 906 OG SER A 57 -14.418 -9.755 -3.258 1.00 0.00 O ATOM 0 H SER A 57 -12.124 -7.555 -1.090 1.00 0.00 H new ATOM 0 HA SER A 57 -11.724 -9.437 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.558 -9.482 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.275 -8.049 -2.120 1.00 0.00 H new ATOM 0 HG SER A 57 -15.283 -9.996 -2.867 1.00 0.00 H new ATOM 912 N ASP A 58 -12.766 -6.558 -4.303 1.00 0.00 N ATOM 913 CA ASP A 58 -12.837 -5.757 -5.533 1.00 0.00 C ATOM 914 C ASP A 58 -11.635 -5.830 -6.473 1.00 0.00 C ATOM 915 O ASP A 58 -11.785 -5.905 -7.694 1.00 0.00 O ATOM 916 CB ASP A 58 -13.101 -4.290 -5.197 1.00 0.00 C ATOM 917 CG ASP A 58 -14.551 -3.963 -4.905 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.357 -3.925 -5.864 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.819 -3.543 -3.760 1.00 0.00 O ATOM 0 H ASP A 58 -12.931 -6.017 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.661 -6.214 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.498 -4.015 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.763 -3.673 -6.030 1.00 0.00 H new ATOM 924 N TYR A 59 -10.443 -5.824 -5.878 1.00 0.00 N ATOM 925 CA TYR A 59 -9.168 -6.006 -6.562 1.00 0.00 C ATOM 926 C TYR A 59 -8.705 -7.457 -6.772 1.00 0.00 C ATOM 927 O TYR A 59 -7.568 -7.693 -7.173 1.00 0.00 O ATOM 928 CB TYR A 59 -8.109 -5.039 -6.006 1.00 0.00 C ATOM 929 CG TYR A 59 -8.264 -3.597 -6.458 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.009 -3.250 -7.799 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.613 -2.598 -5.526 1.00 0.00 C ATOM 932 CE1 TYR A 59 -8.111 -1.909 -8.215 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.668 -1.249 -5.930 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.436 -0.905 -7.280 1.00 0.00 C ATOM 935 OH TYR A 59 -8.537 0.386 -7.688 1.00 0.00 O ATOM 0 H TYR A 59 -10.337 -5.688 -4.873 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.341 -5.721 -7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.145 -5.070 -4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.122 -5.394 -6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.734 -4.015 -8.510 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.838 -2.866 -4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.940 -1.650 -9.249 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.888 -0.478 -5.207 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.768 0.954 -6.923 1.00 0.00 H new ATOM 945 N ASN A 60 -9.574 -8.437 -6.479 1.00 0.00 N ATOM 946 CA ASN A 60 -9.253 -9.876 -6.423 1.00 0.00 C ATOM 947 C ASN A 60 -8.142 -10.216 -5.393 1.00 0.00 C ATOM 948 O ASN A 60 -7.485 -11.253 -5.493 1.00 0.00 O ATOM 949 CB ASN A 60 -8.980 -10.403 -7.854 1.00 0.00 C ATOM 950 CG ASN A 60 -9.105 -11.914 -7.995 1.00 0.00 C ATOM 951 OD1 ASN A 60 -8.143 -12.649 -8.154 1.00 0.00 O ATOM 952 ND2 ASN A 60 -10.313 -12.429 -8.017 1.00 0.00 N ATOM 0 H ASN A 60 -10.553 -8.245 -6.267 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.121 -10.412 -6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.676 -9.926 -8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.976 -10.103 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.438 -13.430 -8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.126 -11.828 -7.886 1.00 0.00 H new ATOM 959 N ILE A 61 -7.919 -9.364 -4.384 1.00 0.00 N ATOM 960 CA ILE A 61 -6.903 -9.585 -3.343 1.00 0.00 C ATOM 961 C ILE A 61 -7.438 -10.632 -2.358 1.00 0.00 C ATOM 962 O ILE A 61 -8.265 -10.339 -1.494 1.00 0.00 O ATOM 963 CB ILE A 61 -6.474 -8.260 -2.668 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.058 -7.216 -3.733 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.313 -8.528 -1.691 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.635 -5.849 -3.182 1.00 0.00 C ATOM 0 H ILE A 61 -8.441 -8.496 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.987 -9.974 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.320 -7.856 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.233 -7.625 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.892 -7.070 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.013 -7.593 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.636 -9.235 -0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.467 -8.946 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.363 -5.192 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.463 -5.409 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.778 -5.973 -2.520 1.00 0.00 H new ATOM 978 N GLN A 62 -7.001 -11.877 -2.546 1.00 0.00 N ATOM 979 CA GLN A 62 -7.478 -13.063 -1.831 1.00 0.00 C ATOM 980 C GLN A 62 -6.537 -13.451 -0.671 1.00 0.00 C ATOM 981 O GLN A 62 -5.551 -12.771 -0.380 1.00 0.00 O ATOM 982 CB GLN A 62 -7.728 -14.198 -2.850 1.00 0.00 C ATOM 983 CG GLN A 62 -6.475 -14.734 -3.575 1.00 0.00 C ATOM 984 CD GLN A 62 -6.709 -15.011 -5.062 1.00 0.00 C ATOM 985 OE1 GLN A 62 -6.809 -16.146 -5.499 1.00 0.00 O ATOM 986 NE2 GLN A 62 -6.951 -13.999 -5.867 1.00 0.00 N ATOM 0 H GLN A 62 -6.275 -12.097 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.429 -12.847 -1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.208 -15.028 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.434 -13.840 -3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.666 -14.011 -3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.147 -15.653 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.873 -13.042 -5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.217 -14.171 -6.837 1.00 0.00 H new ATOM 995 N LYS A 63 -6.850 -14.546 0.032 1.00 0.00 N ATOM 996 CA LYS A 63 -6.021 -15.049 1.141 1.00 0.00 C ATOM 997 C LYS A 63 -4.613 -15.422 0.630 1.00 0.00 C ATOM 998 O LYS A 63 -4.468 -15.941 -0.474 1.00 0.00 O ATOM 999 CB LYS A 63 -6.767 -16.185 1.871 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.596 -17.577 1.220 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.809 -18.514 1.353 1.00 0.00 C ATOM 1002 CE LYS A 63 -8.841 -18.193 0.261 1.00 0.00 C ATOM 1003 NZ LYS A 63 -9.907 -19.214 0.173 1.00 0.00 N ATOM 0 H LYS A 63 -7.681 -15.109 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.857 -14.271 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.414 -16.233 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.829 -15.942 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.376 -17.441 0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.729 -18.065 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.488 -19.552 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.262 -18.399 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.289 -17.220 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.335 -18.116 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.578 -18.952 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.485 -20.139 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.409 -19.270 1.082 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.590 -15.103 1.417 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.159 -15.155 1.057 1.00 0.00 C ATOM 1019 C GLU A 64 -1.740 -14.313 -0.181 1.00 0.00 C ATOM 1020 O GLU A 64 -0.638 -14.491 -0.700 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.601 -16.601 1.030 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.674 -17.342 2.383 1.00 0.00 C ATOM 1023 CD GLU A 64 -0.631 -18.472 2.569 1.00 0.00 C ATOM 1024 OE1 GLU A 64 0.411 -18.489 1.871 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.845 -19.333 3.457 1.00 0.00 O ATOM 0 H GLU A 64 -3.734 -14.783 2.375 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.667 -14.640 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.152 -17.176 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.562 -16.570 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.547 -16.615 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.671 -17.767 2.494 1.00 0.00 H new ATOM 1032 N SER A 65 -2.555 -13.360 -0.667 1.00 0.00 N ATOM 1033 CA SER A 65 -2.146 -12.486 -1.787 1.00 0.00 C ATOM 1034 C SER A 65 -0.889 -11.655 -1.497 1.00 0.00 C ATOM 1035 O SER A 65 -0.855 -10.872 -0.544 1.00 0.00 O ATOM 1036 CB SER A 65 -3.260 -11.524 -2.231 1.00 0.00 C ATOM 1037 OG SER A 65 -4.064 -12.087 -3.254 1.00 0.00 O ATOM 0 H SER A 65 -3.492 -13.174 -0.308 1.00 0.00 H new ATOM 0 HA SER A 65 -1.924 -13.189 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.885 -11.272 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.817 -10.594 -2.587 1.00 0.00 H new ATOM 0 HG SER A 65 -4.281 -11.398 -3.916 1.00 0.00 H new ATOM 1043 N THR A 66 0.105 -11.763 -2.382 1.00 0.00 N ATOM 1044 CA THR A 66 1.316 -10.930 -2.414 1.00 0.00 C ATOM 1045 C THR A 66 1.198 -9.596 -3.153 1.00 0.00 C ATOM 1046 O THR A 66 1.214 -9.544 -4.383 1.00 0.00 O ATOM 1047 CB THR A 66 2.572 -11.712 -2.852 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.460 -13.088 -2.560 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.847 -11.185 -2.199 1.00 0.00 C ATOM 0 H THR A 66 0.090 -12.460 -3.127 1.00 0.00 H new ATOM 0 HA THR A 66 1.438 -10.648 -1.368 1.00 0.00 H new ATOM 0 HB THR A 66 2.640 -11.568 -3.930 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.272 -13.552 -2.853 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.700 -11.771 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.991 -10.140 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.762 -11.268 -1.115 1.00 0.00 H new ATOM 1057 N LEU A 67 1.116 -8.495 -2.409 1.00 0.00 N ATOM 1058 CA LEU A 67 1.247 -7.135 -2.929 1.00 0.00 C ATOM 1059 C LEU A 67 2.724 -6.782 -3.148 1.00 0.00 C ATOM 1060 O LEU A 67 3.605 -7.249 -2.429 1.00 0.00 O ATOM 1061 CB LEU A 67 0.580 -6.133 -1.972 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.947 -6.318 -1.838 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.352 -7.239 -0.685 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.605 -4.963 -1.574 1.00 0.00 C ATOM 0 H LEU A 67 0.953 -8.524 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 67 0.740 -7.079 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.036 -6.228 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.784 -5.121 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.275 -6.769 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.438 -7.323 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.916 -8.226 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.990 -6.825 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.683 -5.094 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.209 -4.540 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.393 -4.288 -2.403 1.00 0.00 H new ATOM 1076 N HIS A 68 3.002 -5.919 -4.117 1.00 0.00 N ATOM 1077 CA HIS A 68 4.272 -5.220 -4.240 1.00 0.00 C ATOM 1078 C HIS A 68 4.207 -3.911 -3.515 1.00 0.00 C ATOM 1079 O HIS A 68 3.160 -3.330 -3.222 1.00 0.00 O ATOM 1080 CB HIS A 68 4.662 -4.997 -5.708 1.00 0.00 C ATOM 1081 CG HIS A 68 5.020 -6.237 -6.481 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.289 -7.399 -6.605 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.095 -6.356 -7.334 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.908 -8.205 -7.477 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.013 -7.602 -7.960 1.00 0.00 N ATOM 0 H HIS A 68 2.337 -5.682 -4.853 1.00 0.00 H new ATOM 0 HA HIS A 68 5.042 -5.846 -3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.833 -4.502 -6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.510 -4.313 -5.740 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.866 -5.616 -7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.571 -9.193 -7.753 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.663 -7.982 -8.649 1.00 0.00 H new ATOM 1093 N LEU A 69 5.407 -3.440 -3.268 1.00 0.00 N ATOM 1094 CA LEU A 69 5.610 -2.091 -2.903 1.00 0.00 C ATOM 1095 C LEU A 69 6.296 -1.272 -3.992 1.00 0.00 C ATOM 1096 O LEU A 69 7.055 -1.800 -4.801 1.00 0.00 O ATOM 1097 CB LEU A 69 6.470 -2.047 -1.652 1.00 0.00 C ATOM 1098 CG LEU A 69 6.722 -0.776 -0.847 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.402 -0.197 -0.359 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.587 -1.086 0.377 1.00 0.00 C ATOM 0 H LEU A 69 6.260 -3.997 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 69 4.627 -1.652 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.039 -2.769 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.450 -2.427 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 69 7.232 -0.061 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.592 0.710 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.770 0.041 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.896 -0.927 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.759 -0.170 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.076 -1.812 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.543 -1.497 0.052 1.00 0.00 H new ATOM 1112 N VAL A 70 6.166 0.045 -3.872 1.00 0.00 N ATOM 1113 CA VAL A 70 7.265 0.951 -4.192 1.00 0.00 C ATOM 1114 C VAL A 70 7.556 1.944 -3.109 1.00 0.00 C ATOM 1115 O VAL A 70 6.768 2.189 -2.212 1.00 0.00 O ATOM 1116 CB VAL A 70 7.012 1.881 -5.415 1.00 0.00 C ATOM 1117 CG1 VAL A 70 7.807 1.331 -6.574 1.00 0.00 C ATOM 1118 CG2 VAL A 70 5.547 2.098 -5.793 1.00 0.00 C ATOM 0 H VAL A 70 5.314 0.508 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 70 8.070 0.237 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 70 7.341 2.882 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.653 1.959 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.866 1.320 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.476 0.316 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.488 2.761 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.089 1.140 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.017 2.548 -4.953 1.00 0.00 H new ATOM 1128 N LEU A 71 8.676 2.613 -3.323 1.00 0.00 N ATOM 1129 CA LEU A 71 8.849 3.986 -2.932 1.00 0.00 C ATOM 1130 C LEU A 71 7.834 5.053 -3.346 1.00 0.00 C ATOM 1131 O LEU A 71 6.858 4.842 -4.060 1.00 0.00 O ATOM 1132 CB LEU A 71 10.227 4.462 -3.408 1.00 0.00 C ATOM 1133 CG LEU A 71 11.359 4.656 -2.368 1.00 0.00 C ATOM 1134 CD1 LEU A 71 11.404 6.083 -1.824 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.335 3.667 -1.199 1.00 0.00 C ATOM 0 H LEU A 71 9.494 2.207 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 71 8.704 3.919 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.582 3.748 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.086 5.413 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 71 12.267 4.450 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.213 6.171 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.575 6.780 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.456 6.318 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.164 3.881 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.393 3.765 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.431 2.650 -1.580 1.00 0.00 H new ATOM 1147 N ARG A 72 8.147 6.253 -2.852 1.00 0.00 N ATOM 1148 CA ARG A 72 7.956 7.479 -3.600 1.00 0.00 C ATOM 1149 C ARG A 72 8.921 7.707 -4.778 1.00 0.00 C ATOM 1150 O ARG A 72 8.588 7.330 -5.891 1.00 0.00 O ATOM 1151 CB ARG A 72 7.922 8.700 -2.660 1.00 0.00 C ATOM 1152 CG ARG A 72 6.666 8.828 -1.797 1.00 0.00 C ATOM 1153 CD ARG A 72 5.373 8.969 -2.602 1.00 0.00 C ATOM 1154 NE ARG A 72 4.302 9.521 -1.752 1.00 0.00 N ATOM 1155 CZ ARG A 72 3.781 10.733 -1.808 1.00 0.00 C ATOM 1156 NH1 ARG A 72 4.177 11.617 -2.680 1.00 0.00 N ATOM 1157 NH2 ARG A 72 2.839 11.052 -0.967 1.00 0.00 N ATOM 0 H ARG A 72 8.540 6.393 -1.921 1.00 0.00 H new ATOM 0 HA ARG A 72 6.984 7.355 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.791 8.656 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.023 9.603 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.588 7.952 -1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.772 9.694 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.539 9.621 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.072 7.997 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 72 3.921 8.897 -1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.911 11.382 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.752 12.544 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.516 10.370 -0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.424 11.984 -0.995 1.00 0.00 H new ATOM 1171 N LEU A 73 10.066 8.358 -4.522 1.00 0.00 N ATOM 1172 CA LEU A 73 10.814 9.223 -5.461 1.00 0.00 C ATOM 1173 C LEU A 73 9.990 10.443 -5.937 1.00 0.00 C ATOM 1174 O LEU A 73 8.762 10.460 -5.849 1.00 0.00 O ATOM 1175 CB LEU A 73 11.439 8.413 -6.626 1.00 0.00 C ATOM 1176 CG LEU A 73 12.574 7.467 -6.191 1.00 0.00 C ATOM 1177 CD1 LEU A 73 12.755 6.334 -7.201 1.00 0.00 C ATOM 1178 CD2 LEU A 73 13.905 8.218 -6.079 1.00 0.00 C ATOM 0 H LEU A 73 10.522 8.296 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 73 11.650 9.643 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.657 7.828 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.824 9.108 -7.373 1.00 0.00 H new ATOM 0 HG LEU A 73 12.294 7.061 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.562 5.679 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.830 5.762 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.002 6.752 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.688 7.526 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.162 8.649 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.813 9.014 -5.340 1.00 0.00 H new ATOM 1190 N ARG A 74 10.669 11.497 -6.418 1.00 0.00 N ATOM 1191 CA ARG A 74 10.056 12.723 -6.971 1.00 0.00 C ATOM 1192 C ARG A 74 10.973 13.385 -8.001 1.00 0.00 C ATOM 1193 O ARG A 74 12.120 13.687 -7.685 1.00 0.00 O ATOM 1194 CB ARG A 74 9.690 13.688 -5.818 1.00 0.00 C ATOM 1195 CG ARG A 74 8.952 14.972 -6.252 1.00 0.00 C ATOM 1196 CD ARG A 74 9.864 16.177 -6.550 1.00 0.00 C ATOM 1197 NE ARG A 74 9.084 17.320 -7.070 1.00 0.00 N ATOM 1198 CZ ARG A 74 9.560 18.482 -7.490 1.00 0.00 C ATOM 1199 NH1 ARG A 74 10.800 18.843 -7.339 1.00 0.00 N ATOM 1200 NH2 ARG A 74 8.781 19.333 -8.091 1.00 0.00 N ATOM 0 H ARG A 74 11.689 11.524 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 74 9.139 12.456 -7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.067 13.154 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.605 13.971 -5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.364 14.752 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.249 15.252 -5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.388 16.474 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.624 15.891 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 74 8.072 17.201 -7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.460 18.218 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.112 19.751 -7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.798 19.107 -8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.153 20.227 -8.412 1.00 0.00 H new ATOM 1214 N GLY A 75 10.433 13.666 -9.190 1.00 0.00 N ATOM 1215 CA GLY A 75 11.177 14.206 -10.336 1.00 0.00 C ATOM 1216 C GLY A 75 11.836 13.111 -11.179 1.00 0.00 C ATOM 1217 O GLY A 75 12.478 12.214 -10.639 1.00 0.00 O ATOM 0 H GLY A 75 9.443 13.522 -9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.500 14.785 -10.964 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.943 14.893 -9.976 1.00 0.00 H new ATOM 1221 N GLY A 76 11.660 13.178 -12.503 1.00 0.00 N ATOM 1222 CA GLY A 76 12.171 12.205 -13.480 1.00 0.00 C ATOM 1223 C GLY A 76 11.307 12.119 -14.725 1.00 0.00 C ATOM 1224 O GLY A 76 10.086 12.355 -14.625 1.00 0.00 O ATOM 1225 OXT GLY A 76 11.848 11.813 -15.805 1.00 0.00 O ATOM 0 H GLY A 76 11.139 13.938 -12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.186 12.481 -13.765 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.227 11.222 -13.013 1.00 0.00 H new TER 1229 GLY A 76