USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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= -0.046 X(o=-0.046,f=-0.33) USER MOD Set 1.2: A 62 GLN : amide:sc= 0 X(o=-0.046,f=-0.054) USER MOD Set 2.1: A 55 THR OG1 : rot 116:sc= 1.28 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.992 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -153:sc= 0.862 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.756 USER MOD Single : A 1 MET CE :methyl 147:sc= -0.0401 (180deg=-1.29) USER MOD Single : A 1 MET N :NH3+ 175:sc= 2.44 (180deg=2.32) USER MOD Single : A 2 GLN : amide:sc=-0.00439 X(o=-0.0044,f=0) USER MOD Single : A 7 THR OG1 : rot -80:sc= 0.929 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 11 LYS NZ :NH3+ 139:sc= 0.997 (180deg=-0.506!) 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= 0.273 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.72 (180deg=1.52) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 1.24 (180deg=1.12) USER MOD Single : A 31 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.563 K(o=0.56,f=-5.3!) USER MOD Single : A 41 GLN : amide:sc= 0.44 K(o=0.44,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.192 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 101:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.366 -7.123 -5.225 1.00 9.67 N ATOM 2 CA MET A 1 11.417 -7.338 -3.787 1.00 10.38 C ATOM 3 C MET A 1 10.068 -7.521 -3.101 1.00 9.62 C ATOM 4 O MET A 1 9.078 -7.012 -3.575 1.00 9.62 O ATOM 5 CB MET A 1 12.286 -6.252 -3.013 1.00 13.77 C ATOM 6 CG MET A 1 11.721 -4.830 -2.852 1.00 16.29 C ATOM 7 SD MET A 1 10.628 -4.638 -1.406 1.00 17.17 S ATOM 8 CE MET A 1 10.578 -2.856 -1.675 1.00 16.11 C ATOM 0 H1 MET A 1 12.323 -6.926 -5.581 1.00 9.67 H new ATOM 0 H2 MET A 1 10.992 -7.975 -5.690 1.00 9.67 H new ATOM 0 H3 MET A 1 10.746 -6.314 -5.433 1.00 9.67 H new ATOM 0 HA MET A 1 11.924 -8.300 -3.716 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.489 -6.642 -2.015 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.245 -6.170 -3.525 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.549 -4.127 -2.767 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.168 -4.564 -3.753 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.604 -2.470 -1.375 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.356 -2.376 -1.082 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.744 -2.643 -2.731 1.00 16.11 H new ATOM 20 N GLN A 2 9.990 -8.360 -2.102 1.00 9.27 N ATOM 21 CA GLN A 2 8.748 -8.763 -1.434 1.00 9.07 C ATOM 22 C GLN A 2 8.334 -7.961 -0.237 1.00 8.72 C ATOM 23 O GLN A 2 9.154 -7.503 0.567 1.00 8.22 O ATOM 24 CB GLN A 2 8.869 -10.252 -0.958 1.00 14.46 C ATOM 25 CG GLN A 2 7.693 -10.886 -0.234 1.00 17.01 C ATOM 26 CD GLN A 2 7.932 -12.347 -0.247 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.366 -12.948 0.755 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.571 -12.962 -1.397 1.00 19.49 N ATOM 0 H GLN A 2 10.815 -8.808 -1.704 1.00 9.27 H new ATOM 0 HA GLN A 2 7.985 -8.598 -2.195 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.085 -10.862 -1.835 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.736 -10.319 -0.301 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.620 -10.514 0.788 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.754 -10.642 -0.731 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.223 -12.412 -2.182 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.647 -13.976 -1.479 1.00 19.49 H new ATOM 37 N ILE A 3 7.054 -7.706 -0.094 1.00 5.87 N ATOM 38 CA ILE A 3 6.498 -6.994 1.029 1.00 5.07 C ATOM 39 C ILE A 3 5.138 -7.584 1.370 1.00 4.01 C ATOM 40 O ILE A 3 4.560 -8.282 0.544 1.00 4.61 O ATOM 41 CB ILE A 3 6.266 -5.480 0.737 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.309 -5.216 -0.465 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.674 -4.804 0.472 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.872 -3.777 -0.675 1.00 10.83 C ATOM 0 H ILE A 3 6.353 -7.997 -0.775 1.00 5.87 H new ATOM 0 HA ILE A 3 7.218 -7.092 1.842 1.00 5.07 H new ATOM 0 HB ILE A 3 5.775 -5.045 1.608 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.800 -5.560 -1.375 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.417 -5.828 -0.333 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.535 -3.743 0.265 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.306 -4.922 1.352 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.151 -5.281 -0.384 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.210 -3.720 -1.539 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.344 -3.424 0.211 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.748 -3.152 -0.848 1.00 10.83 H new ATOM 56 N PHE A 4 4.683 -7.312 2.601 1.00 4.55 N ATOM 57 CA PHE A 4 3.408 -7.786 3.171 1.00 4.68 C ATOM 58 C PHE A 4 2.478 -6.609 3.671 1.00 5.30 C ATOM 59 O PHE A 4 2.865 -5.664 4.305 1.00 5.58 O ATOM 60 CB PHE A 4 3.624 -8.728 4.377 1.00 4.83 C ATOM 61 CG PHE A 4 4.873 -9.577 4.157 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.933 -10.638 3.232 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.977 -9.316 5.005 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.083 -11.358 3.076 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.117 -10.065 4.835 1.00 10.61 C ATOM 66 CZ PHE A 4 7.200 -11.177 3.941 1.00 8.90 C ATOM 0 H PHE A 4 5.211 -6.734 3.254 1.00 4.55 H new ATOM 0 HA PHE A 4 2.926 -8.314 2.348 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.727 -8.144 5.292 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.754 -9.372 4.507 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.063 -10.884 2.642 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.925 -8.550 5.764 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.147 -12.082 2.277 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.995 -9.800 5.406 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.054 -11.837 3.923 1.00 8.90 H new ATOM 76 N VAL A 5 1.173 -6.696 3.353 1.00 4.44 N ATOM 77 CA VAL A 5 0.129 -5.658 3.696 1.00 3.87 C ATOM 78 C VAL A 5 -0.992 -6.331 4.476 1.00 4.93 C ATOM 79 O VAL A 5 -1.698 -7.229 4.037 1.00 6.84 O ATOM 80 CB VAL A 5 -0.455 -4.936 2.500 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.508 -3.870 2.929 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.571 -4.290 1.556 1.00 9.13 C ATOM 0 H VAL A 5 0.788 -7.492 2.844 1.00 4.44 H new ATOM 0 HA VAL A 5 0.634 -4.894 4.287 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.934 -5.731 1.929 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.904 -3.373 2.043 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.321 -4.358 3.466 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.036 -3.132 3.578 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.050 -3.800 0.733 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.157 -3.553 2.105 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.234 -5.058 1.159 1.00 9.13 H new ATOM 92 N LYS A 6 -1.123 -5.852 5.704 1.00 6.04 N ATOM 93 CA LYS A 6 -2.216 -6.262 6.612 1.00 6.12 C ATOM 94 C LYS A 6 -3.533 -5.540 6.399 1.00 6.57 C ATOM 95 O LYS A 6 -3.611 -4.322 5.964 1.00 5.76 O ATOM 96 CB LYS A 6 -1.782 -6.269 8.090 1.00 7.45 C ATOM 97 CG LYS A 6 -2.657 -7.072 9.127 1.00 11.12 C ATOM 98 CD LYS A 6 -2.659 -8.567 8.890 1.00 14.54 C ATOM 99 CE LYS A 6 -1.257 -9.166 9.046 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.284 -10.662 8.888 1.00 20.55 N ATOM 0 H LYS A 6 -0.483 -5.169 6.111 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.426 -7.294 6.329 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.767 -6.665 8.136 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.736 -5.233 8.427 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.287 -6.873 10.133 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.682 -6.705 9.086 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.340 -9.046 9.593 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -3.035 -8.777 7.889 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.588 -8.731 8.303 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.856 -8.908 10.026 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.495 -11.082 9.420 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.184 -11.033 9.253 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.191 -10.906 7.881 1.00 20.55 H new ATOM 114 N THR A 7 -4.629 -6.240 6.599 1.00 7.41 N ATOM 115 CA THR A 7 -5.913 -5.721 6.148 1.00 7.48 C ATOM 116 C THR A 7 -6.861 -5.830 7.301 1.00 8.75 C ATOM 117 O THR A 7 -6.518 -6.482 8.324 1.00 8.58 O ATOM 118 CB THR A 7 -6.434 -6.455 4.868 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.839 -7.759 5.251 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.441 -6.524 3.706 1.00 9.17 C ATOM 0 H THR A 7 -4.664 -7.150 7.059 1.00 7.41 H new ATOM 0 HA THR A 7 -5.815 -4.679 5.844 1.00 7.48 H new ATOM 0 HB THR A 7 -7.263 -5.865 4.477 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.051 -8.337 5.326 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.897 -7.051 2.868 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.173 -5.514 3.396 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.545 -7.056 4.025 1.00 9.17 H new ATOM 128 N LEU A 8 -8.035 -5.222 7.203 1.00 9.84 N ATOM 129 CA LEU A 8 -9.097 -5.148 8.250 1.00 14.15 C ATOM 130 C LEU A 8 -9.363 -6.451 8.917 1.00 17.37 C ATOM 131 O LEU A 8 -9.365 -6.517 10.152 1.00 17.01 O ATOM 132 CB LEU A 8 -10.409 -4.613 7.660 1.00 16.63 C ATOM 133 CG LEU A 8 -11.605 -4.276 8.672 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.334 -3.197 9.831 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.872 -3.839 7.892 1.00 18.59 C ATOM 0 H LEU A 8 -8.307 -4.733 6.350 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.714 -4.463 9.007 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.179 -3.706 7.101 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.776 -5.346 6.941 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.730 -5.222 9.198 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.234 -3.076 10.433 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.517 -3.541 10.465 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.067 -2.240 9.382 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.673 -3.614 8.596 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.648 -2.950 7.302 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.187 -4.645 7.229 1.00 18.59 H new ATOM 147 N THR A 9 -9.493 -7.573 8.231 1.00 18.33 N ATOM 148 CA THR A 9 -9.937 -8.807 8.828 1.00 19.24 C ATOM 149 C THR A 9 -8.798 -9.641 9.322 1.00 19.48 C ATOM 150 O THR A 9 -9.002 -10.727 9.909 1.00 23.14 O ATOM 151 CB THR A 9 -10.653 -9.603 7.749 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.891 -9.521 6.538 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.953 -8.944 7.373 1.00 19.70 C ATOM 0 H THR A 9 -9.290 -7.647 7.234 1.00 18.33 H new ATOM 0 HA THR A 9 -10.577 -8.567 9.677 1.00 19.24 H new ATOM 0 HB THR A 9 -10.791 -10.614 8.131 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.341 -10.032 5.833 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.448 -9.531 6.599 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.597 -8.883 8.250 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.757 -7.940 6.997 1.00 19.70 H new ATOM 161 N GLY A 10 -7.531 -9.232 9.221 1.00 19.43 N ATOM 162 CA GLY A 10 -6.419 -10.170 9.506 1.00 18.74 C ATOM 163 C GLY A 10 -5.721 -10.702 8.252 1.00 17.62 C ATOM 164 O GLY A 10 -4.587 -11.174 8.356 1.00 19.74 O ATOM 0 H GLY A 10 -7.245 -8.290 8.954 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.684 -9.667 10.134 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.805 -11.012 10.080 1.00 18.74 H new ATOM 168 N LYS A 11 -6.352 -10.614 6.999 1.00 13.56 N ATOM 169 CA LYS A 11 -5.823 -11.131 5.763 1.00 11.91 C ATOM 170 C LYS A 11 -4.532 -10.389 5.266 1.00 10.18 C ATOM 171 O LYS A 11 -4.373 -9.143 5.377 1.00 9.10 O ATOM 172 CB LYS A 11 -6.894 -11.260 4.696 1.00 13.43 C ATOM 173 CG LYS A 11 -6.499 -11.908 3.374 1.00 16.69 C ATOM 174 CD LYS A 11 -7.308 -11.435 2.145 1.00 17.92 C ATOM 175 CE LYS A 11 -6.955 -12.237 0.850 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.973 -11.887 -0.120 1.00 21.93 N ATOM 0 H LYS A 11 -7.258 -10.162 6.880 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.483 -12.143 5.982 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.720 -11.833 5.117 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.275 -10.262 4.480 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.443 -11.711 3.192 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.610 -12.988 3.469 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.373 -11.539 2.353 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.118 -10.375 1.975 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.961 -11.975 0.486 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.951 -13.310 1.043 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.533 -11.758 -1.054 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.679 -12.649 -0.172 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.438 -11.003 0.169 1.00 21.93 H new ATOM 190 N THR A 12 -3.493 -11.157 4.799 1.00 9.63 N ATOM 191 CA THR A 12 -2.201 -10.594 4.491 1.00 9.85 C ATOM 192 C THR A 12 -2.153 -10.657 3.005 1.00 11.66 C ATOM 193 O THR A 12 -2.179 -11.749 2.425 1.00 12.33 O ATOM 194 CB THR A 12 -1.027 -11.444 4.943 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.095 -11.834 6.244 1.00 10.91 O ATOM 196 CG2 THR A 12 0.239 -10.656 4.752 1.00 9.63 C ATOM 0 H THR A 12 -3.559 -12.162 4.639 1.00 9.63 H new ATOM 0 HA THR A 12 -2.112 -9.619 4.970 1.00 9.85 H new ATOM 0 HB THR A 12 -1.048 -12.351 4.338 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.310 -12.377 6.464 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.092 -11.254 5.073 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.352 -10.398 3.699 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.192 -9.743 5.346 1.00 9.63 H new ATOM 204 N ILE A 13 -1.928 -9.506 2.357 1.00 10.42 N ATOM 205 CA ILE A 13 -1.626 -9.492 0.903 1.00 11.84 C ATOM 206 C ILE A 13 -0.113 -9.468 0.793 1.00 10.55 C ATOM 207 O ILE A 13 0.618 -8.722 1.409 1.00 11.92 O ATOM 208 CB ILE A 13 -2.335 -8.362 0.105 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.773 -8.006 0.624 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.392 -8.823 -1.348 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.189 -6.559 0.147 1.00 16.46 C ATOM 0 H ILE A 13 -1.946 -8.586 2.797 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.036 -10.382 0.426 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.764 -7.442 0.229 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.491 -8.738 0.255 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.797 -8.058 1.713 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.883 -8.061 -1.953 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.380 -8.984 -1.719 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.954 -9.755 -1.412 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.189 -6.328 0.515 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.480 -5.829 0.538 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.186 -6.520 -0.942 1.00 16.46 H new ATOM 223 N THR A 14 0.465 -10.495 0.072 1.00 9.39 N ATOM 224 CA THR A 14 1.841 -10.676 -0.242 1.00 9.63 C ATOM 225 C THR A 14 2.024 -9.991 -1.589 1.00 11.20 C ATOM 226 O THR A 14 1.368 -10.363 -2.576 1.00 11.63 O ATOM 227 CB THR A 14 2.372 -12.096 -0.351 1.00 10.38 C ATOM 228 OG1 THR A 14 2.039 -12.761 0.887 1.00 16.30 O ATOM 229 CG2 THR A 14 3.925 -12.142 -0.358 1.00 11.66 C ATOM 0 H THR A 14 -0.106 -11.248 -0.311 1.00 9.39 H new ATOM 0 HA THR A 14 2.407 -10.269 0.596 1.00 9.63 H new ATOM 0 HB THR A 14 1.959 -12.533 -1.260 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.363 -13.685 0.859 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.258 -13.177 -0.437 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.302 -11.573 -1.208 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.306 -11.708 0.566 1.00 11.66 H new ATOM 237 N LEU A 15 2.959 -9.016 -1.712 1.00 8.29 N ATOM 238 CA LEU A 15 3.121 -8.289 -2.920 1.00 9.03 C ATOM 239 C LEU A 15 4.531 -8.351 -3.407 1.00 8.59 C ATOM 240 O LEU A 15 5.488 -8.447 -2.632 1.00 7.79 O ATOM 241 CB LEU A 15 2.638 -6.864 -2.826 1.00 11.08 C ATOM 242 CG LEU A 15 1.210 -6.599 -2.410 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.925 -5.114 -2.189 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.130 -7.253 -3.228 1.00 15.27 C ATOM 0 H LEU A 15 3.597 -8.741 -0.965 1.00 8.29 H new ATOM 0 HA LEU A 15 2.483 -8.779 -3.655 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.287 -6.343 -2.123 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.788 -6.401 -3.801 1.00 11.08 H new ATOM 0 HG LEU A 15 1.152 -7.113 -1.451 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.116 -4.983 -1.892 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.577 -4.731 -1.404 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.110 -4.567 -3.113 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.846 -6.982 -2.825 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.202 -6.916 -4.262 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.250 -8.336 -3.191 1.00 15.27 H new ATOM 256 N GLU A 16 4.744 -8.364 -4.731 1.00 11.04 N ATOM 257 CA GLU A 16 6.062 -8.260 -5.390 1.00 11.50 C ATOM 258 C GLU A 16 6.177 -6.845 -6.020 1.00 10.13 C ATOM 259 O GLU A 16 5.344 -6.460 -6.878 1.00 9.83 O ATOM 260 CB GLU A 16 6.317 -9.408 -6.442 1.00 17.22 C ATOM 261 CG GLU A 16 7.682 -9.438 -7.160 1.00 23.33 C ATOM 262 CD GLU A 16 8.937 -9.582 -6.321 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.905 -10.220 -5.220 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.975 -8.994 -6.685 1.00 28.90 O ATOM 0 H GLU A 16 3.978 -8.450 -5.400 1.00 11.04 H new ATOM 0 HA GLU A 16 6.845 -8.395 -4.643 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.185 -10.363 -5.933 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.540 -9.343 -7.203 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.664 -10.262 -7.873 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.773 -8.518 -7.738 1.00 23.33 H new ATOM 271 N VAL A 17 7.085 -5.959 -5.492 1.00 8.99 N ATOM 272 CA VAL A 17 7.239 -4.602 -5.852 1.00 8.85 C ATOM 273 C VAL A 17 8.674 -4.332 -6.188 1.00 8.04 C ATOM 274 O VAL A 17 9.500 -5.220 -6.076 1.00 8.99 O ATOM 275 CB VAL A 17 6.849 -3.721 -4.723 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.431 -4.134 -4.305 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.853 -3.845 -3.466 1.00 10.54 C ATOM 0 H VAL A 17 7.743 -6.241 -4.765 1.00 8.99 H new ATOM 0 HA VAL A 17 6.602 -4.399 -6.713 1.00 8.85 H new ATOM 0 HB VAL A 17 6.892 -2.681 -5.045 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.101 -3.511 -3.474 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.751 -4.006 -5.147 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.433 -5.179 -3.996 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.522 -3.180 -2.669 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.856 -4.873 -3.103 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.860 -3.566 -3.776 1.00 10.54 H new ATOM 287 N GLU A 18 9.069 -3.115 -6.643 1.00 7.29 N ATOM 288 CA GLU A 18 10.426 -2.701 -6.681 1.00 7.08 C ATOM 289 C GLU A 18 10.450 -1.419 -5.821 1.00 6.45 C ATOM 290 O GLU A 18 9.380 -0.883 -5.497 1.00 5.28 O ATOM 291 CB GLU A 18 10.997 -2.411 -8.111 1.00 10.28 C ATOM 292 CG GLU A 18 10.192 -1.417 -8.931 1.00 12.65 C ATOM 293 CD GLU A 18 10.836 -0.952 -10.224 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.046 -0.603 -10.221 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.094 -0.772 -11.215 1.00 18.17 O ATOM 0 H GLU A 18 8.417 -2.412 -6.990 1.00 7.29 H new ATOM 0 HA GLU A 18 11.066 -3.505 -6.316 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.016 -2.037 -8.011 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.055 -3.350 -8.661 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.228 -1.867 -9.169 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.991 -0.542 -8.312 1.00 12.65 H new ATOM 302 N PRO A 19 11.598 -0.866 -5.356 1.00 7.24 N ATOM 303 CA PRO A 19 11.698 0.485 -4.722 1.00 7.07 C ATOM 304 C PRO A 19 11.095 1.656 -5.557 1.00 6.65 C ATOM 305 O PRO A 19 10.717 2.682 -4.939 1.00 6.37 O ATOM 306 CB PRO A 19 13.103 0.681 -4.365 1.00 7.61 C ATOM 307 CG PRO A 19 13.595 -0.763 -4.265 1.00 8.16 C ATOM 308 CD PRO A 19 12.803 -1.576 -5.197 1.00 7.49 C ATOM 0 HA PRO A 19 11.068 0.508 -3.833 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.644 1.247 -5.123 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.216 1.219 -3.424 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.655 -0.823 -4.512 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.484 -1.134 -3.246 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.318 -1.701 -6.150 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.625 -2.575 -4.798 1.00 7.49 H new ATOM 316 N SER A 20 11.263 1.595 -6.880 1.00 6.80 N ATOM 317 CA SER A 20 10.894 2.716 -7.719 1.00 6.28 C ATOM 318 C SER A 20 9.372 2.756 -7.968 1.00 8.45 C ATOM 319 O SER A 20 8.873 3.758 -8.475 1.00 7.26 O ATOM 320 CB SER A 20 11.493 2.909 -9.104 1.00 8.57 C ATOM 321 OG SER A 20 12.912 3.020 -9.005 1.00 11.13 O ATOM 0 H SER A 20 11.646 0.792 -7.378 1.00 6.80 H new ATOM 0 HA SER A 20 11.321 3.502 -7.096 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.229 2.068 -9.745 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.080 3.805 -9.567 1.00 8.57 H new ATOM 0 HG SER A 20 13.294 3.142 -9.899 1.00 11.13 H new ATOM 327 N ASP A 21 8.556 1.730 -7.577 1.00 7.50 N ATOM 328 CA ASP A 21 7.158 1.825 -7.616 1.00 7.70 C ATOM 329 C ASP A 21 6.568 3.001 -6.749 1.00 7.08 C ATOM 330 O ASP A 21 7.033 3.254 -5.639 1.00 8.11 O ATOM 331 CB ASP A 21 6.605 0.399 -7.176 1.00 11.00 C ATOM 332 CG ASP A 21 6.873 -0.587 -8.264 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.207 -0.218 -9.405 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.758 -1.782 -7.912 1.00 14.36 O ATOM 0 H ASP A 21 8.902 0.834 -7.234 1.00 7.50 H new ATOM 0 HA ASP A 21 6.833 2.082 -8.624 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.086 0.078 -6.252 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.535 0.456 -6.976 1.00 11.00 H new ATOM 339 N THR A 22 5.469 3.646 -7.202 1.00 5.37 N ATOM 340 CA THR A 22 4.747 4.545 -6.332 1.00 6.01 C ATOM 341 C THR A 22 3.806 3.783 -5.458 1.00 8.01 C ATOM 342 O THR A 22 3.480 2.610 -5.608 1.00 8.11 O ATOM 343 CB THR A 22 3.999 5.604 -7.094 1.00 8.92 C ATOM 344 OG1 THR A 22 3.077 5.004 -7.992 1.00 10.22 O ATOM 345 CG2 THR A 22 4.924 6.537 -7.860 1.00 9.65 C ATOM 0 H THR A 22 5.086 3.552 -8.143 1.00 5.37 H new ATOM 0 HA THR A 22 5.488 5.051 -5.713 1.00 6.01 H new ATOM 0 HB THR A 22 3.465 6.205 -6.358 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.595 5.703 -8.481 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.331 7.281 -8.392 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.595 7.038 -7.162 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.510 5.961 -8.576 1.00 9.65 H new ATOM 353 N ILE A 23 3.195 4.443 -4.430 1.00 8.32 N ATOM 354 CA ILE A 23 2.042 4.061 -3.594 1.00 9.92 C ATOM 355 C ILE A 23 0.788 3.874 -4.405 1.00 10.01 C ATOM 356 O ILE A 23 0.006 2.980 -4.144 1.00 8.71 O ATOM 357 CB ILE A 23 1.754 5.164 -2.543 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.033 5.422 -1.725 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.606 4.755 -1.619 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.714 4.276 -1.040 1.00 12.30 C ATOM 0 H ILE A 23 3.547 5.357 -4.145 1.00 8.32 H new ATOM 0 HA ILE A 23 2.306 3.117 -3.117 1.00 9.92 H new ATOM 0 HB ILE A 23 1.455 6.077 -3.058 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.761 5.882 -2.393 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.789 6.161 -0.962 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.425 5.546 -0.892 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.296 4.591 -2.209 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.869 3.835 -1.097 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.596 4.640 -0.512 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.028 3.818 -0.328 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.015 3.536 -1.781 1.00 12.30 H new ATOM 372 N GLU A 24 0.543 4.665 -5.491 1.00 9.54 N ATOM 373 CA GLU A 24 -0.512 4.381 -6.467 1.00 11.81 C ATOM 374 C GLU A 24 -0.282 3.051 -7.242 1.00 11.14 C ATOM 375 O GLU A 24 -1.215 2.314 -7.579 1.00 10.62 O ATOM 376 CB GLU A 24 -0.656 5.598 -7.441 1.00 19.24 C ATOM 377 CG GLU A 24 -1.915 5.709 -8.359 1.00 27.76 C ATOM 378 CD GLU A 24 -1.921 6.921 -9.266 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.133 8.045 -8.762 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.784 6.803 -10.508 1.00 34.80 O ATOM 0 H GLU A 24 1.077 5.509 -5.699 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.445 4.241 -5.921 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.612 6.505 -6.838 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.221 5.603 -8.089 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.983 4.811 -8.972 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.806 5.735 -7.732 1.00 27.76 H new ATOM 387 N ASN A 25 0.932 2.780 -7.682 1.00 9.43 N ATOM 388 CA ASN A 25 1.289 1.485 -8.280 1.00 10.96 C ATOM 389 C ASN A 25 1.029 0.278 -7.322 1.00 9.68 C ATOM 390 O ASN A 25 0.423 -0.714 -7.661 1.00 9.33 O ATOM 391 CB ASN A 25 2.880 1.579 -8.593 1.00 16.78 C ATOM 392 CG ASN A 25 3.327 0.429 -9.511 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.557 -0.687 -9.048 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.239 0.706 -10.820 1.00 24.70 N ATOM 0 H ASN A 25 1.706 3.443 -7.640 1.00 9.43 H new ATOM 0 HA ASN A 25 0.678 1.307 -9.165 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.106 2.535 -9.065 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.441 1.544 -7.659 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.366 -0.036 -11.508 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.045 1.659 -11.128 1.00 24.70 H new ATOM 401 N VAL A 26 1.363 0.384 -6.058 1.00 6.52 N ATOM 402 CA VAL A 26 1.095 -0.636 -5.030 1.00 5.53 C ATOM 403 C VAL A 26 -0.393 -0.868 -4.850 1.00 4.42 C ATOM 404 O VAL A 26 -0.884 -1.995 -4.754 1.00 3.40 O ATOM 405 CB VAL A 26 2.029 -0.461 -3.777 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.691 -1.504 -2.678 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.512 -0.652 -4.171 1.00 8.12 C ATOM 0 H VAL A 26 1.845 1.203 -5.688 1.00 6.52 H new ATOM 0 HA VAL A 26 1.407 -1.627 -5.361 1.00 5.53 H new ATOM 0 HB VAL A 26 1.865 0.547 -3.395 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.352 -1.360 -1.824 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.656 -1.376 -2.361 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.827 -2.509 -3.076 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.142 -0.527 -3.290 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.654 -1.653 -4.579 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.787 0.089 -4.922 1.00 8.12 H new ATOM 417 N LYS A 27 -1.162 0.213 -4.755 1.00 2.64 N ATOM 418 CA LYS A 27 -2.574 0.124 -4.645 1.00 4.14 C ATOM 419 C LYS A 27 -3.224 -0.472 -5.906 1.00 5.58 C ATOM 420 O LYS A 27 -4.146 -1.308 -5.796 1.00 4.11 O ATOM 421 CB LYS A 27 -3.324 1.415 -4.317 1.00 3.97 C ATOM 422 CG LYS A 27 -3.017 1.932 -2.929 1.00 7.45 C ATOM 423 CD LYS A 27 -3.856 3.159 -2.524 1.00 9.02 C ATOM 424 CE LYS A 27 -3.688 4.363 -3.470 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.711 5.397 -3.262 1.00 15.47 N ATOM 0 H LYS A 27 -0.801 1.167 -4.754 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.678 -0.534 -3.782 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.063 2.178 -5.050 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.396 1.240 -4.406 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.187 1.133 -2.208 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.960 2.192 -2.874 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.908 2.875 -2.495 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.579 3.460 -1.514 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.701 4.800 -3.322 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.732 4.017 -4.503 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.439 6.262 -3.771 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.626 5.057 -3.621 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.793 5.605 -2.246 1.00 15.47 H new ATOM 439 N ALA A 28 -2.664 -0.223 -7.086 1.00 6.61 N ATOM 440 CA ALA A 28 -3.110 -0.892 -8.355 1.00 7.74 C ATOM 441 C ALA A 28 -2.802 -2.384 -8.285 1.00 9.17 C ATOM 442 O ALA A 28 -3.658 -3.208 -8.555 1.00 11.45 O ATOM 443 CB ALA A 28 -2.524 -0.120 -9.586 1.00 7.68 C ATOM 0 H ALA A 28 -1.896 0.436 -7.215 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.191 -0.842 -8.485 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.847 -0.605 -10.507 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.881 0.910 -9.573 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.435 -0.127 -9.535 1.00 7.68 H new ATOM 449 N LYS A 29 -1.634 -2.766 -7.825 1.00 8.96 N ATOM 450 CA LYS A 29 -1.300 -4.193 -7.527 1.00 7.90 C ATOM 451 C LYS A 29 -2.203 -4.914 -6.548 1.00 6.92 C ATOM 452 O LYS A 29 -2.555 -6.070 -6.683 1.00 6.87 O ATOM 453 CB LYS A 29 0.169 -4.336 -7.120 1.00 10.28 C ATOM 454 CG LYS A 29 0.761 -5.756 -7.071 1.00 14.94 C ATOM 455 CD LYS A 29 2.284 -5.646 -7.224 1.00 19.69 C ATOM 456 CE LYS A 29 2.658 -5.564 -8.708 1.00 22.63 C ATOM 457 NZ LYS A 29 4.034 -5.165 -8.900 1.00 24.98 N ATOM 0 H LYS A 29 -0.869 -2.118 -7.637 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.486 -4.703 -8.472 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.768 -3.746 -7.813 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.289 -3.888 -6.134 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.508 -6.241 -6.128 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.342 -6.370 -7.868 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.647 -4.762 -6.700 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.767 -6.509 -6.766 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.493 -6.534 -9.177 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.001 -4.852 -9.208 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.408 -5.613 -9.761 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.085 -4.131 -8.997 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.600 -5.464 -8.080 1.00 24.98 H new ATOM 471 N ILE A 30 -2.602 -4.236 -5.457 1.00 4.57 N ATOM 472 CA ILE A 30 -3.722 -4.649 -4.591 1.00 5.58 C ATOM 473 C ILE A 30 -5.102 -4.757 -5.305 1.00 7.26 C ATOM 474 O ILE A 30 -5.887 -5.697 -5.106 1.00 9.46 O ATOM 475 CB ILE A 30 -3.697 -3.811 -3.336 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.396 -4.032 -2.565 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.950 -4.182 -2.464 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.081 -2.989 -1.491 1.00 2.00 C ATOM 0 H ILE A 30 -2.150 -3.375 -5.148 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.573 -5.689 -4.300 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.739 -2.753 -3.594 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.436 -5.014 -2.093 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.571 -4.055 -3.277 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.948 -3.585 -1.552 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.860 -3.978 -3.029 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.913 -5.240 -2.205 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.138 -3.240 -1.006 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.001 -2.005 -1.952 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.879 -2.978 -0.749 1.00 2.00 H new ATOM 490 N GLN A 31 -5.480 -3.907 -6.281 1.00 7.06 N ATOM 491 CA GLN A 31 -6.692 -4.186 -7.076 1.00 8.67 C ATOM 492 C GLN A 31 -6.534 -5.447 -7.927 1.00 10.90 C ATOM 493 O GLN A 31 -7.442 -6.216 -8.132 1.00 9.63 O ATOM 494 CB GLN A 31 -6.990 -2.944 -7.979 1.00 9.12 C ATOM 495 CG GLN A 31 -8.179 -3.135 -8.944 1.00 10.76 C ATOM 496 CD GLN A 31 -8.549 -1.944 -9.750 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.520 -1.269 -9.402 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.644 -1.525 -10.670 1.00 14.76 N ATOM 0 H GLN A 31 -4.984 -3.052 -6.532 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.527 -4.366 -6.399 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.190 -2.084 -7.340 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.098 -2.709 -8.561 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.944 -3.953 -9.625 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.049 -3.443 -8.364 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.858 -2.124 -10.922 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.750 -0.611 -11.110 1.00 14.76 H new ATOM 507 N ASP A 32 -5.387 -5.600 -8.506 1.00 10.93 N ATOM 508 CA ASP A 32 -5.064 -6.772 -9.252 1.00 14.01 C ATOM 509 C ASP A 32 -5.119 -7.984 -8.399 1.00 14.04 C ATOM 510 O ASP A 32 -5.690 -9.000 -8.741 1.00 13.39 O ATOM 511 CB ASP A 32 -3.662 -6.535 -9.911 1.00 18.01 C ATOM 512 CG ASP A 32 -3.621 -7.086 -11.336 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.192 -8.211 -11.588 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.909 -6.449 -12.162 1.00 25.17 O ATOM 0 H ASP A 32 -4.640 -4.906 -8.474 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.797 -6.953 -10.039 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.439 -5.468 -9.924 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.889 -7.015 -9.310 1.00 18.01 H new ATOM 519 N LYS A 33 -4.567 -7.936 -7.191 1.00 14.22 N ATOM 520 CA LYS A 33 -4.748 -9.099 -6.282 1.00 14.00 C ATOM 521 C LYS A 33 -6.249 -9.255 -5.819 1.00 12.37 C ATOM 522 O LYS A 33 -6.884 -10.335 -5.846 1.00 12.17 O ATOM 523 CB LYS A 33 -3.883 -9.094 -4.996 1.00 18.62 C ATOM 524 CG LYS A 33 -2.389 -9.076 -5.318 1.00 24.00 C ATOM 525 CD LYS A 33 -1.878 -10.415 -5.826 1.00 27.61 C ATOM 526 CE LYS A 33 -0.359 -10.500 -5.844 1.00 27.64 C ATOM 527 NZ LYS A 33 0.022 -11.646 -6.619 1.00 30.06 N ATOM 0 H LYS A 33 -4.019 -7.160 -6.819 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.419 -9.932 -6.903 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.135 -8.223 -4.391 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.116 -9.975 -4.398 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.193 -8.310 -6.068 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.833 -8.796 -4.423 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.274 -11.212 -5.197 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.258 -10.585 -6.833 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.066 -9.593 -6.274 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.028 -10.583 -4.828 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.059 -11.720 -6.642 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.377 -12.505 -6.188 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.340 -11.545 -7.589 1.00 30.06 H new ATOM 541 N GLU A 34 -6.849 -8.145 -5.341 1.00 10.11 N ATOM 542 CA GLU A 34 -8.042 -8.193 -4.487 1.00 10.07 C ATOM 543 C GLU A 34 -9.305 -7.672 -5.015 1.00 9.32 C ATOM 544 O GLU A 34 -10.377 -7.779 -4.373 1.00 11.61 O ATOM 545 CB GLU A 34 -7.793 -7.435 -3.139 1.00 14.77 C ATOM 546 CG GLU A 34 -6.616 -8.082 -2.346 1.00 18.75 C ATOM 547 CD GLU A 34 -7.082 -9.358 -1.727 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.054 -9.230 -0.911 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.649 -10.493 -2.031 1.00 25.19 O ATOM 0 H GLU A 34 -6.519 -7.200 -5.537 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.177 -9.270 -4.386 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.568 -6.388 -3.342 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.699 -7.455 -2.533 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.775 -8.273 -3.012 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.262 -7.398 -1.575 1.00 18.75 H new ATOM 556 N GLY A 35 -9.263 -6.964 -6.162 1.00 7.22 N ATOM 557 CA GLY A 35 -10.440 -6.418 -6.793 1.00 6.29 C ATOM 558 C GLY A 35 -10.879 -5.045 -6.340 1.00 6.93 C ATOM 559 O GLY A 35 -11.789 -4.474 -6.952 1.00 7.41 O ATOM 0 H GLY A 35 -8.398 -6.764 -6.664 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.263 -6.381 -7.868 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.266 -7.110 -6.629 1.00 6.29 H new ATOM 563 N ILE A 36 -10.243 -4.515 -5.261 1.00 5.86 N ATOM 564 CA ILE A 36 -10.656 -3.232 -4.636 1.00 6.07 C ATOM 565 C ILE A 36 -10.079 -2.052 -5.412 1.00 6.36 C ATOM 566 O ILE A 36 -8.820 -1.958 -5.476 1.00 6.18 O ATOM 567 CB ILE A 36 -10.135 -3.260 -3.200 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.514 -4.538 -2.447 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.639 -1.937 -2.514 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.644 -4.625 -1.180 1.00 9.49 C ATOM 0 H ILE A 36 -9.443 -4.957 -4.808 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.740 -3.114 -4.647 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.045 -3.289 -3.186 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.571 -4.524 -2.182 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.355 -5.412 -3.078 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.292 -1.908 -1.481 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.246 -1.075 -3.053 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.729 -1.910 -2.532 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.897 -5.529 -0.626 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.592 -4.655 -1.463 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.827 -3.753 -0.553 1.00 9.49 H new ATOM 582 N PRO A 37 -10.818 -1.065 -6.001 1.00 8.65 N ATOM 583 CA PRO A 37 -10.276 0.200 -6.544 1.00 9.18 C ATOM 584 C PRO A 37 -9.150 0.849 -5.696 1.00 9.85 C ATOM 585 O PRO A 37 -9.226 0.852 -4.484 1.00 8.51 O ATOM 586 CB PRO A 37 -11.481 1.132 -6.497 1.00 11.42 C ATOM 587 CG PRO A 37 -12.618 0.109 -6.788 1.00 9.27 C ATOM 588 CD PRO A 37 -12.271 -1.107 -5.971 1.00 8.33 C ATOM 0 HA PRO A 37 -9.829 0.019 -7.522 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.595 1.619 -5.528 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.428 1.922 -7.246 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.591 0.510 -6.504 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.670 -0.131 -7.850 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.663 -1.046 -4.956 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.665 -2.024 -6.410 1.00 8.33 H new ATOM 596 N PRO A 38 -8.036 1.292 -6.316 1.00 8.71 N ATOM 597 CA PRO A 38 -7.079 2.080 -5.599 1.00 9.08 C ATOM 598 C PRO A 38 -7.657 3.416 -5.129 1.00 9.28 C ATOM 599 O PRO A 38 -7.046 3.994 -4.242 1.00 6.50 O ATOM 600 CB PRO A 38 -5.980 2.291 -6.663 1.00 10.31 C ATOM 601 CG PRO A 38 -6.777 2.301 -8.005 1.00 10.81 C ATOM 602 CD PRO A 38 -7.783 1.246 -7.779 1.00 12.00 C ATOM 0 HA PRO A 38 -6.732 1.603 -4.683 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.443 3.227 -6.507 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.240 1.491 -6.641 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.239 3.269 -8.197 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.138 2.078 -8.859 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.694 1.436 -8.347 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.412 0.269 -8.089 1.00 12.00 H new ATOM 610 N ASP A 39 -8.791 3.869 -5.694 1.00 11.20 N ATOM 611 CA ASP A 39 -9.696 4.900 -5.138 1.00 14.96 C ATOM 612 C ASP A 39 -10.232 4.622 -3.760 1.00 13.99 C ATOM 613 O ASP A 39 -10.407 5.499 -2.937 1.00 13.75 O ATOM 614 CB ASP A 39 -10.898 5.032 -6.106 1.00 24.16 C ATOM 615 CG ASP A 39 -10.510 5.125 -7.562 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.831 4.191 -8.093 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.822 6.163 -8.219 1.00 35.55 O ATOM 0 H ASP A 39 -9.119 3.512 -6.591 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.102 5.809 -5.041 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.556 4.173 -5.971 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.472 5.919 -5.837 1.00 24.16 H new ATOM 622 N GLN A 40 -10.456 3.364 -3.414 1.00 11.60 N ATOM 623 CA GLN A 40 -10.959 2.956 -2.100 1.00 10.76 C ATOM 624 C GLN A 40 -9.898 2.478 -1.211 1.00 8.01 C ATOM 625 O GLN A 40 -10.204 2.018 -0.117 1.00 8.96 O ATOM 626 CB GLN A 40 -11.997 1.858 -2.425 1.00 11.14 C ATOM 627 CG GLN A 40 -13.365 2.494 -2.837 1.00 14.85 C ATOM 628 CD GLN A 40 -14.270 1.394 -3.346 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.797 1.528 -4.444 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.459 0.260 -2.647 1.00 18.16 N ATOM 0 H GLN A 40 -10.292 2.580 -4.045 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.395 3.790 -1.550 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.626 1.227 -3.233 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.137 1.214 -1.557 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.822 2.996 -1.984 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.215 3.249 -3.609 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.022 0.146 -1.733 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.040 -0.485 -3.031 1.00 18.16 H new ATOM 639 N GLN A 41 -8.647 2.692 -1.515 1.00 6.52 N ATOM 640 CA GLN A 41 -7.498 2.164 -0.723 1.00 3.87 C ATOM 641 C GLN A 41 -6.675 3.369 -0.203 1.00 4.79 C ATOM 642 O GLN A 41 -6.528 4.424 -0.886 1.00 6.34 O ATOM 643 CB GLN A 41 -6.604 1.166 -1.462 1.00 4.20 C ATOM 644 CG GLN A 41 -7.330 -0.136 -1.823 1.00 3.20 C ATOM 645 CD GLN A 41 -6.220 -0.898 -2.546 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.097 -1.049 -2.050 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.506 -1.300 -3.804 1.00 7.13 N ATOM 0 H GLN A 41 -8.361 3.242 -2.325 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.917 1.583 0.099 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.227 1.630 -2.373 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.739 0.933 -0.841 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.688 -0.667 -0.941 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.195 0.038 -2.463 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.443 -1.161 -4.183 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.785 -1.743 -4.374 1.00 7.13 H new ATOM 656 N ARG A 42 -6.119 3.270 0.998 1.00 5.73 N ATOM 657 CA ARG A 42 -5.129 4.275 1.529 1.00 6.97 C ATOM 658 C ARG A 42 -4.135 3.437 2.401 1.00 7.15 C ATOM 659 O ARG A 42 -4.515 2.723 3.332 1.00 7.33 O ATOM 660 CB ARG A 42 -5.753 5.386 2.379 1.00 13.23 C ATOM 661 CG ARG A 42 -4.709 6.323 2.981 1.00 21.27 C ATOM 662 CD ARG A 42 -5.146 7.642 3.457 1.00 26.14 C ATOM 663 NE ARG A 42 -5.619 8.445 2.271 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.829 8.860 2.128 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.870 8.563 2.932 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.062 9.811 1.223 1.00 36.39 N ATOM 0 H ARG A 42 -6.321 2.509 1.647 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.658 4.798 0.696 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.443 5.964 1.764 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.339 4.938 3.181 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.242 5.805 3.819 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -3.933 6.481 2.232 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.949 7.535 4.187 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.325 8.155 3.959 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.943 8.672 1.542 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.733 7.957 3.741 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.794 8.945 2.731 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.293 10.187 0.669 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.010 10.162 1.085 1.00 36.39 H new ATOM 680 N LEU A 43 -2.809 3.460 2.004 1.00 4.65 N ATOM 681 CA LEU A 43 -1.793 2.688 2.628 1.00 3.51 C ATOM 682 C LEU A 43 -1.182 3.356 3.843 1.00 5.56 C ATOM 683 O LEU A 43 -1.109 4.608 3.942 1.00 4.19 O ATOM 684 CB LEU A 43 -0.694 2.287 1.615 1.00 3.74 C ATOM 685 CG LEU A 43 -1.220 1.209 0.600 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.175 0.947 -0.528 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.499 -0.054 1.375 1.00 6.41 C ATOM 0 H LEU A 43 -2.469 4.035 1.233 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.288 1.787 2.991 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.359 3.170 1.070 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.171 1.895 2.150 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.130 1.564 0.115 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.564 0.197 -1.217 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.016 1.873 -1.070 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.754 0.587 -0.087 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.867 -0.824 0.696 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.581 -0.399 1.852 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.251 0.146 2.138 1.00 6.41 H new ATOM 699 N ILE A 44 -0.777 2.538 4.834 1.00 4.58 N ATOM 700 CA ILE A 44 -0.157 3.047 6.057 1.00 5.55 C ATOM 701 C ILE A 44 1.121 2.250 6.337 1.00 5.46 C ATOM 702 O ILE A 44 1.135 1.043 6.334 1.00 6.04 O ATOM 703 CB ILE A 44 -1.103 2.895 7.287 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.373 3.777 7.090 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.326 3.445 8.521 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.178 4.045 8.357 1.00 13.90 C ATOM 0 H ILE A 44 -0.871 1.523 4.804 1.00 4.58 H new ATOM 0 HA ILE A 44 0.058 4.105 5.909 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.401 1.854 7.414 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.070 4.733 6.662 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.023 3.293 6.361 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.949 3.360 9.411 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.588 2.868 8.662 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.073 4.492 8.354 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.040 4.666 8.116 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.519 3.099 8.778 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.551 4.561 9.084 1.00 13.90 H new ATOM 718 N PHE A 45 2.289 2.860 6.574 1.00 6.75 N ATOM 719 CA PHE A 45 3.550 2.168 6.985 1.00 4.70 C ATOM 720 C PHE A 45 4.030 2.826 8.298 1.00 6.34 C ATOM 721 O PHE A 45 4.258 4.040 8.359 1.00 5.45 O ATOM 722 CB PHE A 45 4.532 2.181 5.783 1.00 5.51 C ATOM 723 CG PHE A 45 5.881 1.585 6.093 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.027 0.294 6.729 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.128 2.285 5.749 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.273 -0.263 6.998 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.384 1.712 6.039 1.00 6.64 C ATOM 728 CZ PHE A 45 8.432 0.457 6.708 1.00 6.84 C ATOM 0 H PHE A 45 2.402 3.870 6.488 1.00 6.75 H new ATOM 0 HA PHE A 45 3.432 1.110 7.220 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.085 1.632 4.954 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.668 3.209 5.448 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.139 -0.256 7.004 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.081 3.251 5.268 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.343 -1.250 7.430 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.296 2.218 5.757 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.390 0.052 6.999 1.00 6.84 H new ATOM 738 N ALA A 46 4.307 2.042 9.385 1.00 6.53 N ATOM 739 CA ALA A 46 4.750 2.509 10.731 1.00 7.15 C ATOM 740 C ALA A 46 4.290 3.888 11.241 1.00 9.00 C ATOM 741 O ALA A 46 5.020 4.828 11.499 1.00 11.15 O ATOM 742 CB ALA A 46 6.318 2.362 10.836 1.00 8.99 C ATOM 0 H ALA A 46 4.223 1.026 9.342 1.00 6.53 H new ATOM 0 HA ALA A 46 4.213 1.849 11.412 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.650 2.701 11.817 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.595 1.317 10.700 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.793 2.966 10.063 1.00 8.99 H new ATOM 748 N GLY A 47 2.934 4.054 11.324 1.00 9.35 N ATOM 749 CA GLY A 47 2.279 5.295 11.862 1.00 11.68 C ATOM 750 C GLY A 47 2.292 6.480 10.858 1.00 11.14 C ATOM 751 O GLY A 47 1.752 7.533 11.268 1.00 13.93 O ATOM 0 H GLY A 47 2.269 3.341 11.024 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.248 5.066 12.130 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.787 5.598 12.778 1.00 11.68 H new ATOM 755 N LYS A 48 2.808 6.301 9.623 1.00 10.47 N ATOM 756 CA LYS A 48 2.774 7.273 8.541 1.00 8.82 C ATOM 757 C LYS A 48 1.783 6.809 7.474 1.00 7.68 C ATOM 758 O LYS A 48 1.898 5.789 6.838 1.00 6.47 O ATOM 759 CB LYS A 48 4.188 7.534 7.967 1.00 9.74 C ATOM 760 CG LYS A 48 5.232 8.129 8.890 1.00 14.14 C ATOM 761 CD LYS A 48 6.475 8.507 8.143 1.00 16.32 C ATOM 762 CE LYS A 48 7.665 9.020 8.974 1.00 20.04 C ATOM 763 NZ LYS A 48 8.873 9.090 8.225 1.00 23.92 N ATOM 0 H LYS A 48 3.276 5.435 9.355 1.00 10.47 H new ATOM 0 HA LYS A 48 2.430 8.232 8.929 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.576 6.587 7.591 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.083 8.199 7.109 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.822 9.009 9.385 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.480 7.411 9.671 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.808 7.636 7.578 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.212 9.277 7.417 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.429 10.009 9.366 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.813 8.364 9.832 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.639 9.441 8.834 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.118 8.143 7.872 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.746 9.737 7.421 1.00 23.92 H new ATOM 777 N GLN A 49 0.761 7.618 7.233 1.00 8.89 N ATOM 778 CA GLN A 49 -0.144 7.526 6.061 1.00 7.18 C ATOM 779 C GLN A 49 0.597 7.842 4.781 1.00 8.23 C ATOM 780 O GLN A 49 1.448 8.747 4.779 1.00 9.70 O ATOM 781 CB GLN A 49 -1.476 8.329 6.220 1.00 11.67 C ATOM 782 CG GLN A 49 -2.380 7.825 7.416 1.00 15.82 C ATOM 783 CD GLN A 49 -3.771 8.587 7.393 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.728 7.997 6.906 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.922 9.831 7.928 1.00 20.67 N ATOM 0 H GLN A 49 0.518 8.386 7.859 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.472 6.488 6.001 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.240 9.382 6.373 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.044 8.261 5.292 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.542 6.750 7.334 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.874 8.000 8.366 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.119 10.314 8.331 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.838 10.279 7.925 1.00 20.67 H new ATOM 794 N LEU A 50 0.347 7.010 3.727 1.00 6.51 N ATOM 795 CA LEU A 50 1.197 7.108 2.524 1.00 7.41 C ATOM 796 C LEU A 50 0.451 7.760 1.322 1.00 8.27 C ATOM 797 O LEU A 50 -0.801 7.671 1.219 1.00 8.34 O ATOM 798 CB LEU A 50 1.747 5.698 2.009 1.00 7.13 C ATOM 799 CG LEU A 50 2.348 4.782 3.161 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.853 3.445 2.589 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.556 5.487 3.870 1.00 9.11 C ATOM 0 H LEU A 50 -0.392 6.308 3.691 1.00 6.51 H new ATOM 0 HA LEU A 50 2.031 7.729 2.851 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.936 5.161 1.517 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.517 5.872 1.257 1.00 7.13 H new ATOM 0 HG LEU A 50 1.546 4.607 3.878 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.260 2.835 3.395 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.026 2.916 2.116 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.632 3.636 1.850 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.947 4.838 4.653 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.340 5.688 3.140 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.222 6.426 4.311 1.00 9.11 H new ATOM 813 N GLU A 51 1.103 8.476 0.396 1.00 9.43 N ATOM 814 CA GLU A 51 0.437 9.170 -0.672 1.00 11.90 C ATOM 815 C GLU A 51 0.894 8.944 -2.080 1.00 11.49 C ATOM 816 O GLU A 51 2.082 8.689 -2.393 1.00 9.88 O ATOM 817 CB GLU A 51 0.540 10.727 -0.446 1.00 16.56 C ATOM 818 CG GLU A 51 1.869 11.483 -0.684 1.00 26.06 C ATOM 819 CD GLU A 51 1.711 12.960 -0.640 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.952 13.540 -1.495 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.340 13.620 0.218 1.00 33.44 O ATOM 0 H GLU A 51 2.118 8.580 0.383 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.565 8.745 -0.607 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.210 11.192 -1.085 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.244 10.920 0.585 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.595 11.178 0.070 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.276 11.195 -1.653 1.00 26.06 H new ATOM 828 N ASP A 52 -0.105 8.849 -2.992 1.00 12.71 N ATOM 829 CA ASP A 52 -0.164 8.272 -4.316 1.00 16.56 C ATOM 830 C ASP A 52 1.023 8.556 -5.235 1.00 15.83 C ATOM 831 O ASP A 52 1.446 7.569 -5.909 1.00 17.21 O ATOM 832 CB ASP A 52 -1.444 8.845 -4.952 1.00 21.05 C ATOM 833 CG ASP A 52 -2.712 8.435 -4.202 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.262 9.064 -3.264 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.288 7.437 -4.717 1.00 25.82 O ATOM 0 H ASP A 52 -1.016 9.243 -2.756 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.149 7.188 -4.204 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.377 9.933 -4.976 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.513 8.507 -5.986 1.00 21.05 H new ATOM 840 N GLY A 53 1.582 9.836 -5.319 1.00 15.00 N ATOM 841 CA GLY A 53 2.664 10.243 -6.180 1.00 11.77 C ATOM 842 C GLY A 53 4.101 10.151 -5.686 1.00 11.10 C ATOM 843 O GLY A 53 4.983 10.749 -6.335 1.00 11.25 O ATOM 0 H GLY A 53 1.239 10.605 -4.743 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.595 9.649 -7.091 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.483 11.280 -6.461 1.00 11.77 H new ATOM 847 N ARG A 54 4.357 9.421 -4.590 1.00 8.53 N ATOM 848 CA ARG A 54 5.699 9.146 -4.135 1.00 9.05 C ATOM 849 C ARG A 54 6.018 7.704 -4.217 1.00 8.96 C ATOM 850 O ARG A 54 5.132 6.851 -4.266 1.00 11.60 O ATOM 851 CB ARG A 54 5.830 9.543 -2.556 1.00 7.97 C ATOM 852 CG ARG A 54 5.662 11.070 -2.382 1.00 9.62 C ATOM 853 CD ARG A 54 6.117 11.428 -0.939 1.00 12.20 C ATOM 854 NE ARG A 54 5.886 12.936 -0.808 1.00 18.23 N ATOM 855 CZ ARG A 54 6.681 13.865 -1.413 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.824 13.575 -1.978 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.279 15.121 -1.372 1.00 23.38 N ATOM 0 H ARG A 54 3.629 9.011 -4.005 1.00 8.53 H new ATOM 0 HA ARG A 54 6.373 9.722 -4.769 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.072 9.016 -1.976 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.801 9.229 -2.172 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.260 11.608 -3.117 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.624 11.362 -2.540 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.542 10.875 -0.196 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.166 11.175 -0.783 1.00 12.20 H new ATOM 0 HE ARG A 54 5.102 13.261 -0.242 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.162 12.613 -1.981 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.378 14.311 -2.416 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.407 15.362 -0.902 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.841 15.851 -1.811 1.00 23.38 H new ATOM 871 N THR A 55 7.305 7.429 -4.241 1.00 9.05 N ATOM 872 CA THR A 55 7.840 6.002 -4.419 1.00 9.03 C ATOM 873 C THR A 55 8.292 5.347 -3.088 1.00 8.15 C ATOM 874 O THR A 55 8.514 5.991 -2.029 1.00 5.91 O ATOM 875 CB THR A 55 9.110 5.943 -5.320 1.00 11.15 C ATOM 876 OG1 THR A 55 10.231 6.650 -4.793 1.00 11.95 O ATOM 877 CG2 THR A 55 8.674 6.579 -6.635 1.00 11.71 C ATOM 0 H THR A 55 8.034 8.136 -4.144 1.00 9.05 H new ATOM 0 HA THR A 55 6.993 5.477 -4.862 1.00 9.03 H new ATOM 0 HB THR A 55 9.452 4.912 -5.412 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.952 6.017 -4.593 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.511 6.580 -7.334 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.848 6.008 -7.059 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.351 7.604 -6.454 1.00 11.71 H new ATOM 885 N LEU A 56 8.491 4.042 -3.158 1.00 6.91 N ATOM 886 CA LEU A 56 8.822 3.209 -1.928 1.00 8.29 C ATOM 887 C LEU A 56 10.192 3.581 -1.434 1.00 8.05 C ATOM 888 O LEU A 56 10.467 3.624 -0.230 1.00 10.17 O ATOM 889 CB LEU A 56 8.682 1.671 -2.186 1.00 6.60 C ATOM 890 CG LEU A 56 7.249 1.121 -2.133 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.318 1.626 -3.205 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.169 -0.458 -2.339 1.00 8.64 C ATOM 0 H LEU A 56 8.439 3.506 -4.025 1.00 6.91 H new ATOM 0 HA LEU A 56 8.092 3.435 -1.150 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.104 1.444 -3.165 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.284 1.140 -1.449 1.00 6.60 H new ATOM 0 HG LEU A 56 6.948 1.458 -1.141 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.334 1.175 -3.075 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.233 2.710 -3.132 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.713 1.358 -4.185 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.129 -0.779 -2.290 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.584 -0.719 -3.312 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.740 -0.957 -1.556 1.00 8.64 H new ATOM 904 N SER A 57 11.097 3.907 -2.341 1.00 8.92 N ATOM 905 CA SER A 57 12.458 4.536 -2.087 1.00 9.00 C ATOM 906 C SER A 57 12.340 5.749 -1.293 1.00 9.44 C ATOM 907 O SER A 57 13.146 5.960 -0.392 1.00 10.91 O ATOM 908 CB SER A 57 13.378 4.785 -3.325 1.00 10.32 C ATOM 909 OG SER A 57 12.572 5.339 -4.364 1.00 13.59 O ATOM 0 H SER A 57 10.931 3.748 -3.335 1.00 8.92 H new ATOM 0 HA SER A 57 12.979 3.756 -1.531 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.189 5.466 -3.067 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.837 3.852 -3.654 1.00 10.32 H new ATOM 0 HG SER A 57 13.127 5.507 -5.154 1.00 13.59 H new ATOM 915 N ASP A 58 11.390 6.696 -1.618 1.00 9.11 N ATOM 916 CA ASP A 58 11.220 7.929 -0.939 1.00 7.91 C ATOM 917 C ASP A 58 10.673 7.695 0.502 1.00 9.12 C ATOM 918 O ASP A 58 11.097 8.367 1.409 1.00 8.61 O ATOM 919 CB ASP A 58 10.172 8.734 -1.746 1.00 8.41 C ATOM 920 CG ASP A 58 10.336 10.246 -1.592 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.262 10.630 -0.849 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.616 11.037 -2.234 1.00 11.70 O ATOM 0 H ASP A 58 10.731 6.569 -2.386 1.00 9.11 H new ATOM 0 HA ASP A 58 12.172 8.453 -0.860 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.252 8.470 -2.801 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.172 8.447 -1.421 1.00 8.41 H new ATOM 927 N TYR A 59 9.809 6.707 0.760 1.00 7.97 N ATOM 928 CA TYR A 59 9.340 6.367 2.114 1.00 8.45 C ATOM 929 C TYR A 59 10.356 5.485 2.803 1.00 10.98 C ATOM 930 O TYR A 59 10.318 5.392 4.001 1.00 12.95 O ATOM 931 CB TYR A 59 8.048 5.662 2.019 1.00 7.94 C ATOM 932 CG TYR A 59 6.954 6.625 1.836 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.486 7.414 2.901 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.258 6.658 0.600 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.443 8.340 2.746 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.169 7.608 0.462 1.00 6.52 C ATOM 937 CZ TYR A 59 4.851 8.493 1.472 1.00 6.76 C ATOM 938 OH TYR A 59 3.856 9.380 1.064 1.00 7.63 O ATOM 0 H TYR A 59 9.411 6.115 0.032 1.00 7.97 H new ATOM 0 HA TYR A 59 9.214 7.281 2.695 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.069 4.962 1.184 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.878 5.076 2.922 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.945 7.304 3.872 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.529 5.998 -0.211 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.099 8.925 3.586 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.594 7.622 -0.452 1.00 6.52 H new ATOM 0 HH TYR A 59 4.092 10.289 1.345 1.00 7.63 H new ATOM 948 N ASN A 60 11.320 4.821 2.117 1.00 12.38 N ATOM 949 CA ASN A 60 12.283 3.948 2.703 1.00 13.94 C ATOM 950 C ASN A 60 11.637 2.647 3.193 1.00 14.16 C ATOM 951 O ASN A 60 11.909 2.122 4.254 1.00 14.26 O ATOM 952 CB ASN A 60 13.249 4.620 3.675 1.00 19.23 C ATOM 953 CG ASN A 60 14.300 5.308 2.904 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.077 4.705 2.205 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.264 6.713 2.960 1.00 24.09 N ATOM 0 H ASN A 60 11.424 4.904 1.106 1.00 12.38 H new ATOM 0 HA ASN A 60 12.962 3.649 1.904 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.716 5.332 4.304 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.693 3.878 4.339 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.912 7.263 2.395 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.590 7.182 3.565 1.00 24.09 H new ATOM 962 N ILE A 61 10.781 2.001 2.381 1.00 11.08 N ATOM 963 CA ILE A 61 10.117 0.746 2.711 1.00 11.78 C ATOM 964 C ILE A 61 10.992 -0.450 2.294 1.00 13.74 C ATOM 965 O ILE A 61 10.894 -1.041 1.219 1.00 14.60 O ATOM 966 CB ILE A 61 8.772 0.674 1.988 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.051 2.089 2.048 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.867 -0.410 2.649 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.624 2.210 1.651 1.00 11.42 C ATOM 0 H ILE A 61 10.532 2.353 1.457 1.00 11.08 H new ATOM 0 HA ILE A 61 9.957 0.705 3.788 1.00 11.78 H new ATOM 0 HB ILE A 61 8.944 0.404 0.946 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.135 2.453 3.072 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.622 2.772 1.419 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.911 -0.454 2.127 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.359 -1.381 2.588 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.698 -0.154 3.695 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.304 3.247 1.756 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.507 1.898 0.613 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.013 1.575 2.292 1.00 11.42 H new ATOM 981 N GLN A 62 11.907 -0.830 3.133 1.00 13.97 N ATOM 982 CA GLN A 62 12.831 -1.921 2.889 1.00 15.52 C ATOM 983 C GLN A 62 12.124 -3.311 2.733 1.00 13.94 C ATOM 984 O GLN A 62 10.994 -3.513 3.268 1.00 12.15 O ATOM 985 CB GLN A 62 13.912 -1.962 4.004 1.00 19.53 C ATOM 986 CG GLN A 62 14.434 -0.582 4.491 1.00 26.38 C ATOM 987 CD GLN A 62 15.333 0.130 3.480 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.022 1.262 3.152 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.494 -0.424 3.105 1.00 32.71 N ATOM 0 H GLN A 62 12.044 -0.381 4.039 1.00 13.97 H new ATOM 0 HA GLN A 62 13.310 -1.724 1.930 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.503 -2.498 4.861 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.760 -2.542 3.641 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.582 0.058 4.719 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.987 -0.720 5.420 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.724 -1.374 3.397 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.148 0.104 2.528 1.00 32.71 H new ATOM 998 N LYS A 63 12.732 -4.310 1.993 1.00 11.73 N ATOM 999 CA LYS A 63 12.121 -5.574 1.768 1.00 11.97 C ATOM 1000 C LYS A 63 11.745 -6.355 3.007 1.00 10.41 C ATOM 1001 O LYS A 63 12.404 -6.308 4.087 1.00 9.59 O ATOM 1002 CB LYS A 63 12.901 -6.462 0.829 1.00 13.73 C ATOM 1003 CG LYS A 63 14.241 -6.874 1.449 1.00 16.98 C ATOM 1004 CD LYS A 63 15.044 -7.766 0.520 1.00 20.19 C ATOM 1005 CE LYS A 63 16.327 -8.523 0.982 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.956 -9.679 1.767 1.00 25.97 N ATOM 0 H LYS A 63 13.651 -4.211 1.562 1.00 11.73 H new ATOM 0 HA LYS A 63 11.185 -5.284 1.291 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.316 -7.351 0.594 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.077 -5.938 -0.111 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.821 -5.982 1.687 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.061 -7.397 2.388 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.356 -8.522 0.142 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.336 -7.148 -0.329 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.910 -8.833 0.115 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.960 -7.859 1.571 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.814 -10.181 2.073 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.417 -9.373 2.602 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.369 -10.316 1.191 1.00 25.97 H new ATOM 1020 N GLU A 64 10.624 -7.169 2.909 1.00 10.04 N ATOM 1021 CA GLU A 64 9.972 -7.966 3.975 1.00 10.94 C ATOM 1022 C GLU A 64 9.408 -7.107 5.136 1.00 9.74 C ATOM 1023 O GLU A 64 9.025 -7.582 6.207 1.00 9.42 O ATOM 1024 CB GLU A 64 10.917 -9.131 4.428 1.00 18.31 C ATOM 1025 CG GLU A 64 11.044 -10.229 3.306 1.00 24.16 C ATOM 1026 CD GLU A 64 11.774 -11.459 3.865 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.172 -12.241 4.610 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.982 -11.669 3.607 1.00 32.61 O ATOM 0 H GLU A 64 10.139 -7.277 2.018 1.00 10.04 H new ATOM 0 HA GLU A 64 9.077 -8.425 3.555 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.904 -8.732 4.664 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.530 -9.583 5.341 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.054 -10.513 2.948 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.589 -9.828 2.451 1.00 24.16 H new ATOM 1035 N SER A 65 9.234 -5.764 4.960 1.00 6.85 N ATOM 1036 CA SER A 65 8.424 -4.967 5.882 1.00 6.90 C ATOM 1037 C SER A 65 6.951 -5.277 5.754 1.00 4.72 C ATOM 1038 O SER A 65 6.418 -5.598 4.703 1.00 3.91 O ATOM 1039 CB SER A 65 8.461 -3.430 5.593 1.00 7.28 C ATOM 1040 OG SER A 65 9.801 -2.948 5.484 1.00 10.56 O ATOM 0 H SER A 65 9.645 -5.232 4.193 1.00 6.85 H new ATOM 0 HA SER A 65 8.853 -5.218 6.852 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.922 -3.220 4.669 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.946 -2.896 6.392 1.00 7.28 H new ATOM 0 HG SER A 65 10.035 -2.842 4.538 1.00 10.56 H new ATOM 1046 N THR A 66 6.260 -5.157 6.881 1.00 4.48 N ATOM 1047 CA THR A 66 4.784 -5.230 6.924 1.00 3.80 C ATOM 1048 C THR A 66 4.117 -3.868 7.086 1.00 4.60 C ATOM 1049 O THR A 66 4.509 -3.107 7.996 1.00 5.33 O ATOM 1050 CB THR A 66 4.288 -6.135 8.075 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.834 -7.462 7.947 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.713 -6.339 8.079 1.00 3.40 C ATOM 0 H THR A 66 6.693 -5.007 7.792 1.00 4.48 H new ATOM 0 HA THR A 66 4.502 -5.650 5.958 1.00 3.80 H new ATOM 0 HB THR A 66 4.608 -5.627 8.985 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.511 -8.021 8.684 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.432 -6.984 8.912 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.221 -5.372 8.186 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.404 -6.801 7.142 1.00 3.40 H new ATOM 1060 N LEU A 67 3.112 -3.602 6.181 1.00 4.17 N ATOM 1061 CA LEU A 67 2.492 -2.312 5.955 1.00 3.85 C ATOM 1062 C LEU A 67 1.057 -2.569 6.352 1.00 3.80 C ATOM 1063 O LEU A 67 0.684 -3.719 6.476 1.00 5.54 O ATOM 1064 CB LEU A 67 2.500 -1.842 4.524 1.00 7.18 C ATOM 1065 CG LEU A 67 3.846 -1.471 3.948 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.587 -2.715 3.366 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.649 -0.321 2.934 1.00 11.66 C ATOM 0 H LEU A 67 2.721 -4.331 5.584 1.00 4.17 H new ATOM 0 HA LEU A 67 3.027 -1.537 6.505 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.067 -2.627 3.904 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.844 -0.975 4.445 1.00 7.18 H new ATOM 0 HG LEU A 67 4.507 -1.108 4.735 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.551 -2.408 2.961 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.743 -3.449 4.157 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.985 -3.159 2.573 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.613 -0.042 2.509 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.982 -0.649 2.137 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.213 0.540 3.440 1.00 11.66 H new ATOM 1079 N HIS A 68 0.250 -1.542 6.402 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.159 -1.613 6.674 1.00 4.17 C ATOM 1081 C HIS A 68 -2.021 -0.976 5.612 1.00 5.32 C ATOM 1082 O HIS A 68 -1.638 0.022 5.032 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.554 -1.120 8.051 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.425 -1.406 9.008 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.457 -0.429 9.470 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.041 -2.597 9.484 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.403 -1.119 10.187 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.175 -2.381 10.242 1.00 16.30 N ATOM 0 H HIS A 68 0.575 -0.588 6.246 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.359 -2.684 6.653 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.765 -0.051 8.024 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.466 -1.616 8.383 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.408 -3.561 9.297 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.253 -0.647 10.657 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.721 -3.082 10.744 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.204 -1.571 5.239 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.119 -1.113 4.203 1.00 3.97 C ATOM 1098 C LEU A 69 -5.364 -0.608 4.883 1.00 5.07 C ATOM 1099 O LEU A 69 -6.004 -1.384 5.627 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.550 -2.306 3.229 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.713 -1.923 2.319 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.344 -0.721 1.438 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.047 -3.095 1.436 1.00 9.96 C ATOM 0 H LEU A 69 -3.535 -2.423 5.692 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.622 -0.342 3.614 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.696 -2.599 2.619 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.829 -3.175 3.825 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.569 -1.652 2.937 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.189 -0.466 0.798 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.098 0.132 2.071 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.483 -0.974 0.819 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.878 -2.832 0.781 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.177 -3.355 0.833 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.328 -3.948 2.054 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.758 0.594 4.749 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.944 1.112 5.342 1.00 6.26 C ATOM 1117 C VAL A 70 -7.851 1.443 4.153 1.00 9.22 C ATOM 1118 O VAL A 70 -7.407 2.115 3.205 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.722 2.272 6.226 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.028 2.776 6.820 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.762 1.962 7.411 1.00 8.54 C ATOM 0 H VAL A 70 -5.247 1.285 4.200 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.390 0.384 6.019 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.268 3.029 5.586 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.828 3.631 7.466 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.701 3.078 6.017 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.493 1.981 7.403 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.640 2.855 8.024 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.181 1.160 8.019 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.792 1.653 7.022 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.167 1.068 4.189 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.061 1.459 3.137 1.00 16.06 C ATOM 1133 C LEU A 71 -10.656 2.800 3.421 1.00 18.09 C ATOM 1134 O LEU A 71 -11.180 3.114 4.487 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.201 0.447 2.813 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.695 -0.998 2.551 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.916 -1.965 2.318 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.612 -1.084 1.384 1.00 19.57 C ATOM 0 H LEU A 71 -9.591 0.510 4.930 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.431 1.489 2.248 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.907 0.431 3.643 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.747 0.796 1.937 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.165 -1.328 3.445 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.550 -2.975 2.135 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.554 -1.964 3.202 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.490 -1.625 1.456 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.301 -2.120 1.252 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.048 -0.715 0.455 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.746 -0.475 1.645 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.605 3.598 2.350 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.999 4.982 2.299 1.00 25.83 C ATOM 1152 C ARG A 72 -12.342 5.114 1.680 1.00 27.74 C ATOM 1153 O ARG A 72 -12.822 4.223 1.029 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.925 5.873 1.666 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.686 5.746 0.110 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.648 6.690 -0.484 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.421 8.010 -0.425 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.465 8.867 -1.438 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.021 8.629 -2.655 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.056 10.029 -1.215 1.00 35.02 N ATOM 0 H ARG A 72 -10.265 3.261 1.449 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.089 5.355 3.319 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.180 6.910 1.882 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -8.980 5.666 2.168 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.385 4.722 -0.109 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.635 5.915 -0.399 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.729 6.719 0.101 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.370 6.416 -1.502 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.925 8.242 0.431 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.603 7.726 -2.878 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.095 9.348 -3.375 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.452 10.232 -0.297 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.116 10.722 -1.961 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.928 6.268 1.922 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.069 6.833 1.197 1.00 30.76 C ATOM 1176 C LEU A 73 -13.560 7.834 0.236 1.00 32.18 C ATOM 1177 O LEU A 73 -12.493 8.417 0.488 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.091 7.650 2.046 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.919 6.817 3.018 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.328 7.764 4.210 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.164 6.243 2.362 1.00 29.11 C ATOM 0 H LEU A 73 -12.609 6.880 2.673 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.570 5.959 0.780 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.550 8.410 2.609 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.767 8.175 1.371 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.328 5.968 3.363 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.924 7.205 4.931 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.430 8.143 4.698 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.913 8.600 3.826 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.723 5.657 3.092 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.789 7.056 1.994 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.874 5.603 1.529 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.256 8.228 -0.925 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.655 9.039 -1.960 1.00 35.33 C ATOM 1195 C ARG A 74 -13.618 10.525 -1.638 1.00 36.22 C ATOM 1196 O ARG A 74 -12.828 11.283 -2.221 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.305 8.779 -3.301 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.200 7.310 -3.737 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.563 7.085 -5.200 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.801 5.633 -5.349 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.650 4.946 -6.510 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.466 5.529 -7.717 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.589 3.616 -6.472 1.00 41.93 N ATOM 0 H ARG A 74 -15.225 7.970 -1.113 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.611 8.729 -2.012 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.356 9.065 -3.252 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -13.837 9.412 -4.055 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -13.182 6.960 -3.565 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.856 6.705 -3.111 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.451 7.655 -5.472 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.758 7.417 -5.856 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.099 5.113 -4.524 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.434 6.546 -7.793 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.359 4.952 -8.551 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.656 3.128 -5.579 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.476 3.086 -7.336 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.415 11.041 -0.706 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.322 12.382 -0.217 1.00 36.07 C ATOM 1219 C GLY A 75 -13.246 12.482 0.870 1.00 36.16 C ATOM 1220 O GLY A 75 -12.889 13.576 1.213 1.00 36.26 O ATOM 0 H GLY A 75 -15.163 10.505 -0.266 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.083 13.059 -1.037 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.285 12.696 0.186 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.623 11.367 1.328 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.663 11.270 2.433 1.00 36.19 C ATOM 1226 C GLY A 76 -10.374 10.558 1.933 1.00 36.20 C ATOM 1227 O GLY A 76 -9.427 11.222 1.542 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.287 9.293 2.039 1.00 0.00 O ATOM 0 H GLY A 76 -12.796 10.457 0.900 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.421 12.264 2.808 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.101 10.715 3.262 1.00 36.19 H new TER 1232 GLY A 76