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 55 THR OG1 : rot -65:sc= 0.902 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -160:sc= 0.071 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0107 X(o=0.06,f=-0.36) USER MOD Set 3.1: A 7 THR OG1 : rot -60:sc= 0.335 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 134:sc= 1.23 (180deg=0.00627) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0133 (180deg=-0.152) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.799 (180deg=0.728) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.06) USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.033 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 1.34 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0436) USER MOD Single : A 31 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.34) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.906 K(o=-0.91,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= 0.642 K(o=0.64,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 59 TYR OH : rot -66:sc= 0.283 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -126:sc= 0.0566 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.131 -7.591 -4.578 1.00 9.67 N ATOM 2 CA MET A 1 11.770 -7.744 -3.182 1.00 10.38 C ATOM 3 C MET A 1 10.228 -7.866 -3.014 1.00 9.62 C ATOM 4 O MET A 1 9.460 -7.439 -3.854 1.00 9.62 O ATOM 5 CB MET A 1 12.342 -6.552 -2.419 1.00 13.77 C ATOM 6 CG MET A 1 11.586 -5.187 -2.243 1.00 16.29 C ATOM 7 SD MET A 1 12.540 -3.848 -1.491 1.00 17.17 S ATOM 8 CE MET A 1 10.985 -3.010 -1.084 1.00 16.11 C ATOM 0 H1 MET A 1 13.146 -7.377 -4.653 1.00 9.67 H new ATOM 0 H2 MET A 1 11.925 -8.473 -5.089 1.00 9.67 H new ATOM 0 H3 MET A 1 11.581 -6.813 -4.995 1.00 9.67 H new ATOM 0 HA MET A 1 12.189 -8.665 -2.777 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.565 -6.910 -1.414 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.295 -6.315 -2.891 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.241 -4.856 -3.223 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.698 -5.361 -1.635 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.197 -2.000 -0.735 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.354 -2.962 -1.972 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.467 -3.564 -0.301 1.00 16.11 H new ATOM 20 N GLN A 2 9.802 -8.435 -1.880 1.00 9.27 N ATOM 21 CA GLN A 2 8.448 -8.661 -1.463 1.00 9.07 C ATOM 22 C GLN A 2 8.066 -7.698 -0.338 1.00 8.72 C ATOM 23 O GLN A 2 8.941 -7.136 0.243 1.00 8.22 O ATOM 24 CB GLN A 2 8.282 -10.111 -1.111 1.00 14.46 C ATOM 25 CG GLN A 2 7.832 -10.899 -2.447 1.00 17.01 C ATOM 26 CD GLN A 2 7.953 -12.428 -2.217 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.283 -12.915 -1.098 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.480 -13.176 -3.213 1.00 19.49 N ATOM 0 H GLN A 2 10.467 -8.771 -1.184 1.00 9.27 H new ATOM 0 HA GLN A 2 7.752 -8.448 -2.274 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.216 -10.519 -0.724 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.533 -10.230 -0.328 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.805 -10.640 -2.705 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.457 -10.597 -3.287 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.226 -12.742 -4.100 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.372 -14.183 -3.088 1.00 19.49 H new ATOM 37 N ILE A 3 6.796 -7.486 -0.193 1.00 5.87 N ATOM 38 CA ILE A 3 6.236 -6.662 0.846 1.00 5.07 C ATOM 39 C ILE A 3 4.926 -7.409 1.160 1.00 4.01 C ATOM 40 O ILE A 3 4.414 -8.184 0.325 1.00 4.61 O ATOM 41 CB ILE A 3 5.938 -5.138 0.569 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.073 -4.886 -0.667 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.344 -4.476 0.558 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.766 -3.392 -0.942 1.00 10.83 C ATOM 0 H ILE A 3 6.093 -7.892 -0.811 1.00 5.87 H new ATOM 0 HA ILE A 3 6.978 -6.558 1.637 1.00 5.07 H new ATOM 0 HB ILE A 3 5.306 -4.689 1.335 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.575 -5.307 -1.538 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.131 -5.422 -0.551 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.241 -3.407 0.371 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.827 -4.631 1.523 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.951 -4.925 -0.228 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.148 -3.306 -1.836 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.234 -2.967 -0.091 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.700 -2.850 -1.093 1.00 10.83 H new ATOM 56 N PHE A 4 4.350 -7.177 2.340 1.00 4.55 N ATOM 57 CA PHE A 4 3.101 -7.749 2.854 1.00 4.68 C ATOM 58 C PHE A 4 2.104 -6.604 3.115 1.00 5.30 C ATOM 59 O PHE A 4 2.502 -5.618 3.667 1.00 5.58 O ATOM 60 CB PHE A 4 3.160 -8.452 4.246 1.00 4.83 C ATOM 61 CG PHE A 4 4.137 -9.557 4.220 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.897 -10.626 3.407 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.311 -9.545 4.971 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.723 -11.795 3.444 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.237 -10.664 4.899 1.00 10.61 C ATOM 66 CZ PHE A 4 5.962 -11.793 4.154 1.00 8.90 C ATOM 0 H PHE A 4 4.774 -6.538 3.012 1.00 4.55 H new ATOM 0 HA PHE A 4 2.841 -8.482 2.091 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.437 -7.730 5.014 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.174 -8.835 4.510 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.065 -10.590 2.720 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.534 -8.702 5.608 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.405 -12.689 2.929 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.167 -10.610 5.445 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.646 -12.628 4.111 1.00 8.90 H new ATOM 76 N VAL A 5 0.859 -6.666 2.687 1.00 4.44 N ATOM 77 CA VAL A 5 -0.114 -5.592 2.861 1.00 3.87 C ATOM 78 C VAL A 5 -1.078 -6.304 3.738 1.00 4.93 C ATOM 79 O VAL A 5 -1.648 -7.269 3.304 1.00 6.84 O ATOM 80 CB VAL A 5 -0.708 -5.002 1.573 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.747 -4.033 1.935 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.401 -4.297 0.776 1.00 9.13 C ATOM 0 H VAL A 5 0.482 -7.478 2.198 1.00 4.44 H new ATOM 0 HA VAL A 5 0.296 -4.668 3.269 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.139 -5.795 0.962 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.178 -3.606 1.029 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.528 -4.534 2.507 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.309 -3.238 2.538 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.019 -3.878 -0.138 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.830 -3.497 1.379 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.180 -5.016 0.521 1.00 9.13 H new ATOM 92 N LYS A 6 -1.247 -5.941 5.065 1.00 6.04 N ATOM 93 CA LYS A 6 -2.152 -6.604 5.934 1.00 6.12 C ATOM 94 C LYS A 6 -3.377 -5.716 6.236 1.00 6.57 C ATOM 95 O LYS A 6 -3.225 -4.535 6.557 1.00 5.76 O ATOM 96 CB LYS A 6 -1.425 -6.992 7.228 1.00 7.45 C ATOM 97 CG LYS A 6 -2.218 -7.771 8.364 1.00 11.12 C ATOM 98 CD LYS A 6 -1.301 -8.023 9.539 1.00 14.54 C ATOM 99 CE LYS A 6 -1.904 -8.962 10.574 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.094 -10.239 9.913 1.00 20.55 N ATOM 0 H LYS A 6 -0.736 -5.177 5.507 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.516 -7.508 5.445 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.566 -7.603 6.950 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.034 -6.076 7.671 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.083 -7.189 8.683 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.596 -8.717 7.975 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.363 -8.444 9.177 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.060 -7.073 10.015 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.243 -9.066 11.435 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.852 -8.573 10.945 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.747 -11.003 10.527 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.106 -10.383 9.720 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.566 -10.248 9.017 1.00 20.55 H new ATOM 114 N THR A 7 -4.528 -6.269 6.202 1.00 7.41 N ATOM 115 CA THR A 7 -5.829 -5.633 6.470 1.00 7.48 C ATOM 116 C THR A 7 -6.074 -5.643 7.932 1.00 8.75 C ATOM 117 O THR A 7 -5.479 -6.467 8.693 1.00 8.58 O ATOM 118 CB THR A 7 -7.084 -6.293 5.789 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.433 -7.556 6.355 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.757 -6.454 4.312 1.00 9.17 C ATOM 0 H THR A 7 -4.631 -7.257 5.971 1.00 7.41 H new ATOM 0 HA THR A 7 -5.736 -4.636 6.039 1.00 7.48 H new ATOM 0 HB THR A 7 -7.949 -5.650 5.948 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.685 -8.180 6.249 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.604 -6.910 3.799 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.553 -5.476 3.876 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.880 -7.091 4.201 1.00 9.17 H new ATOM 128 N LEU A 8 -6.840 -4.659 8.437 1.00 9.84 N ATOM 129 CA LEU A 8 -7.120 -4.421 9.870 1.00 14.15 C ATOM 130 C LEU A 8 -7.743 -5.580 10.540 1.00 17.37 C ATOM 131 O LEU A 8 -7.271 -5.915 11.607 1.00 17.01 O ATOM 132 CB LEU A 8 -8.178 -3.310 10.121 1.00 16.63 C ATOM 133 CG LEU A 8 -7.816 -1.870 9.677 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.056 -0.903 9.973 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.564 -1.343 10.457 1.00 18.59 C ATOM 0 H LEU A 8 -7.302 -3.978 7.834 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.131 -4.171 10.253 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.098 -3.599 9.612 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.398 -3.289 11.188 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.586 -1.883 8.612 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.808 0.112 9.663 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.928 -1.249 9.418 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.278 -0.912 11.040 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.330 -0.331 10.128 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.777 -1.337 11.526 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.712 -1.994 10.261 1.00 18.59 H new ATOM 147 N THR A 9 -8.798 -6.258 10.010 1.00 18.33 N ATOM 148 CA THR A 9 -9.441 -7.460 10.575 1.00 19.24 C ATOM 149 C THR A 9 -8.474 -8.566 10.649 1.00 19.48 C ATOM 150 O THR A 9 -8.413 -9.273 11.723 1.00 23.14 O ATOM 151 CB THR A 9 -10.660 -7.882 9.817 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.400 -8.170 8.400 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.801 -6.777 9.919 1.00 19.70 C ATOM 0 H THR A 9 -9.237 -5.962 9.138 1.00 18.33 H new ATOM 0 HA THR A 9 -9.774 -7.198 11.579 1.00 19.24 H new ATOM 0 HB THR A 9 -10.987 -8.810 10.285 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.234 -8.441 7.963 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.677 -7.106 9.360 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.072 -6.629 10.964 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.436 -5.838 9.502 1.00 19.70 H new ATOM 161 N GLY A 10 -7.675 -8.821 9.675 1.00 19.43 N ATOM 162 CA GLY A 10 -6.585 -9.733 9.862 1.00 18.74 C ATOM 163 C GLY A 10 -5.786 -10.129 8.632 1.00 17.62 C ATOM 164 O GLY A 10 -4.550 -10.175 8.680 1.00 19.74 O ATOM 0 H GLY A 10 -7.748 -8.417 8.741 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.897 -9.292 10.583 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.981 -10.643 10.314 1.00 18.74 H new ATOM 168 N LYS A 11 -6.500 -10.423 7.458 1.00 13.56 N ATOM 169 CA LYS A 11 -5.940 -10.975 6.241 1.00 11.91 C ATOM 170 C LYS A 11 -4.727 -10.127 5.758 1.00 10.18 C ATOM 171 O LYS A 11 -4.793 -8.900 5.760 1.00 9.10 O ATOM 172 CB LYS A 11 -6.995 -11.023 5.079 1.00 13.43 C ATOM 173 CG LYS A 11 -6.498 -11.625 3.783 1.00 16.69 C ATOM 174 CD LYS A 11 -7.669 -11.877 2.857 1.00 17.92 C ATOM 175 CE LYS A 11 -7.231 -12.433 1.540 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.313 -12.402 0.603 1.00 21.93 N ATOM 0 H LYS A 11 -7.504 -10.259 7.385 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.623 -11.990 6.480 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.860 -11.593 5.418 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.340 -10.008 4.881 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.784 -10.952 3.308 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.972 -12.559 3.982 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.363 -12.571 3.331 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.211 -10.945 2.695 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.391 -11.855 1.155 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.881 -13.457 1.668 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.010 -12.838 -0.292 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.122 -12.930 0.989 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.594 -11.416 0.430 1.00 21.93 H new ATOM 190 N THR A 12 -3.687 -10.860 5.248 1.00 9.63 N ATOM 191 CA THR A 12 -2.364 -10.396 4.707 1.00 9.85 C ATOM 192 C THR A 12 -2.226 -10.857 3.307 1.00 11.66 C ATOM 193 O THR A 12 -2.362 -12.043 3.020 1.00 12.33 O ATOM 194 CB THR A 12 -1.183 -10.977 5.495 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.426 -10.735 6.890 1.00 10.91 O ATOM 196 CG2 THR A 12 0.141 -10.231 5.046 1.00 9.63 C ATOM 0 H THR A 12 -3.758 -11.876 5.200 1.00 9.63 H new ATOM 0 HA THR A 12 -2.345 -9.309 4.785 1.00 9.85 H new ATOM 0 HB THR A 12 -1.074 -12.046 5.312 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.685 -11.099 7.419 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.990 -10.633 5.598 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.299 -10.381 3.978 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.046 -9.165 5.253 1.00 9.63 H new ATOM 204 N ILE A 13 -1.792 -9.952 2.361 1.00 10.42 N ATOM 205 CA ILE A 13 -1.537 -10.298 0.971 1.00 11.84 C ATOM 206 C ILE A 13 -0.057 -9.991 0.635 1.00 10.55 C ATOM 207 O ILE A 13 0.453 -8.956 1.004 1.00 11.92 O ATOM 208 CB ILE A 13 -2.485 -9.672 -0.084 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.576 -8.166 -0.128 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.906 -10.239 0.157 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.045 -7.584 -1.459 1.00 16.46 C ATOM 0 H ILE A 13 -1.619 -8.969 2.573 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.752 -11.364 0.898 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.049 -9.943 -1.045 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.258 -7.836 0.656 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.596 -7.751 0.107 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.596 -9.815 -0.573 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.888 -11.324 0.051 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.236 -9.978 1.163 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.077 -6.497 -1.389 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.353 -7.877 -2.248 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.041 -7.962 -1.691 1.00 16.46 H new ATOM 223 N THR A 14 0.693 -10.899 -0.044 1.00 9.39 N ATOM 224 CA THR A 14 2.044 -10.586 -0.517 1.00 9.63 C ATOM 225 C THR A 14 2.016 -9.910 -1.812 1.00 11.20 C ATOM 226 O THR A 14 1.214 -10.205 -2.707 1.00 11.63 O ATOM 227 CB THR A 14 2.865 -11.873 -0.702 1.00 10.38 C ATOM 228 OG1 THR A 14 2.887 -12.592 0.488 1.00 16.30 O ATOM 229 CG2 THR A 14 4.367 -11.652 -1.007 1.00 11.66 C ATOM 0 H THR A 14 0.377 -11.843 -0.269 1.00 9.39 H new ATOM 0 HA THR A 14 2.493 -9.938 0.236 1.00 9.63 H new ATOM 0 HB THR A 14 2.379 -12.371 -1.541 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.477 -12.144 1.130 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.861 -12.617 -1.121 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.471 -11.080 -1.929 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.828 -11.103 -0.186 1.00 11.66 H new ATOM 237 N LEU A 15 2.922 -8.936 -2.013 1.00 8.29 N ATOM 238 CA LEU A 15 3.103 -8.261 -3.318 1.00 9.03 C ATOM 239 C LEU A 15 4.551 -8.274 -3.718 1.00 8.59 C ATOM 240 O LEU A 15 5.390 -8.445 -2.858 1.00 7.79 O ATOM 241 CB LEU A 15 2.786 -6.781 -3.214 1.00 11.08 C ATOM 242 CG LEU A 15 1.326 -6.521 -2.677 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.025 -5.033 -2.495 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.356 -7.051 -3.687 1.00 15.27 C ATOM 0 H LEU A 15 3.547 -8.594 -1.283 1.00 8.29 H new ATOM 0 HA LEU A 15 2.454 -8.785 -4.020 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.506 -6.303 -2.550 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.899 -6.317 -4.194 1.00 11.08 H new ATOM 0 HG LEU A 15 1.238 -7.012 -1.708 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.008 -4.910 -2.124 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.727 -4.605 -1.779 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.126 -4.522 -3.452 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.662 -6.882 -3.337 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.503 -6.537 -4.637 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.520 -8.120 -3.823 1.00 15.27 H new ATOM 256 N GLU A 16 4.841 -8.138 -4.974 1.00 11.04 N ATOM 257 CA GLU A 16 6.163 -8.258 -5.604 1.00 11.50 C ATOM 258 C GLU A 16 6.566 -6.904 -6.106 1.00 10.13 C ATOM 259 O GLU A 16 5.905 -6.278 -6.965 1.00 9.83 O ATOM 260 CB GLU A 16 6.221 -9.304 -6.792 1.00 17.22 C ATOM 261 CG GLU A 16 5.878 -10.778 -6.376 1.00 23.33 C ATOM 262 CD GLU A 16 5.842 -11.816 -7.458 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.894 -12.503 -7.704 1.00 28.86 O ATOM 264 OE2 GLU A 16 4.722 -12.099 -7.975 1.00 28.90 O ATOM 0 H GLU A 16 4.116 -7.923 -5.659 1.00 11.04 H new ATOM 0 HA GLU A 16 6.850 -8.633 -4.845 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.527 -8.989 -7.572 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.220 -9.286 -7.228 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.608 -11.095 -5.631 1.00 23.33 H new ATOM 0 HG3 GLU A 16 4.905 -10.770 -5.886 1.00 23.33 H new ATOM 271 N VAL A 17 7.692 -6.365 -5.617 1.00 8.99 N ATOM 272 CA VAL A 17 8.052 -4.959 -5.935 1.00 8.85 C ATOM 273 C VAL A 17 9.525 -4.751 -6.124 1.00 8.04 C ATOM 274 O VAL A 17 10.365 -5.545 -5.712 1.00 8.99 O ATOM 275 CB VAL A 17 7.472 -4.003 -4.850 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.966 -4.221 -4.467 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.318 -4.086 -3.633 1.00 10.54 C ATOM 0 H VAL A 17 8.356 -6.855 -5.018 1.00 8.99 H new ATOM 0 HA VAL A 17 7.600 -4.721 -6.898 1.00 8.85 H new ATOM 0 HB VAL A 17 7.494 -3.011 -5.301 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.676 -3.498 -3.704 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.343 -4.085 -5.351 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.832 -5.231 -4.080 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.920 -3.420 -2.867 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.318 -5.110 -3.259 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.338 -3.789 -3.878 1.00 10.54 H new ATOM 287 N GLU A 18 9.880 -3.548 -6.677 1.00 7.29 N ATOM 288 CA GLU A 18 11.197 -2.959 -6.521 1.00 7.08 C ATOM 289 C GLU A 18 11.048 -1.834 -5.469 1.00 6.45 C ATOM 290 O GLU A 18 9.931 -1.281 -5.316 1.00 5.28 O ATOM 291 CB GLU A 18 11.718 -2.295 -7.845 1.00 10.28 C ATOM 292 CG GLU A 18 11.976 -3.202 -9.028 1.00 12.65 C ATOM 293 CD GLU A 18 13.250 -3.816 -8.860 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.316 -3.116 -9.084 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.263 -4.923 -8.337 1.00 18.17 O ATOM 0 H GLU A 18 9.243 -2.982 -7.237 1.00 7.29 H new ATOM 0 HA GLU A 18 11.902 -3.740 -6.237 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.992 -1.541 -8.151 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.645 -1.770 -7.615 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.197 -3.961 -9.100 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.951 -2.630 -9.956 1.00 12.65 H new ATOM 302 N PRO A 19 12.010 -1.457 -4.670 1.00 7.24 N ATOM 303 CA PRO A 19 11.939 -0.339 -3.723 1.00 7.07 C ATOM 304 C PRO A 19 11.774 0.998 -4.465 1.00 6.65 C ATOM 305 O PRO A 19 11.430 2.024 -3.821 1.00 6.37 O ATOM 306 CB PRO A 19 13.213 -0.492 -2.969 1.00 7.61 C ATOM 307 CG PRO A 19 14.169 -1.062 -3.967 1.00 8.16 C ATOM 308 CD PRO A 19 13.349 -2.019 -4.725 1.00 7.49 C ATOM 0 HA PRO A 19 11.079 -0.344 -3.053 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.564 0.465 -2.584 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.091 -1.155 -2.112 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.582 -0.288 -4.614 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.011 -1.553 -3.480 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.698 -2.117 -5.753 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.383 -3.014 -4.280 1.00 7.49 H new ATOM 316 N SER A 20 12.009 1.082 -5.767 1.00 6.80 N ATOM 317 CA SER A 20 11.737 2.138 -6.677 1.00 6.28 C ATOM 318 C SER A 20 10.352 2.327 -7.163 1.00 8.45 C ATOM 319 O SER A 20 10.093 3.374 -7.743 1.00 7.26 O ATOM 320 CB SER A 20 12.669 2.102 -7.852 1.00 8.57 C ATOM 321 OG SER A 20 12.646 0.785 -8.517 1.00 11.13 O ATOM 0 H SER A 20 12.452 0.301 -6.251 1.00 6.80 H new ATOM 0 HA SER A 20 11.904 3.005 -6.038 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.388 2.877 -8.565 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.683 2.327 -7.521 1.00 8.57 H new ATOM 0 HG SER A 20 13.262 0.793 -9.279 1.00 11.13 H new ATOM 327 N ASP A 21 9.480 1.303 -7.007 1.00 7.50 N ATOM 328 CA ASP A 21 8.097 1.380 -7.357 1.00 7.70 C ATOM 329 C ASP A 21 7.299 2.413 -6.482 1.00 7.08 C ATOM 330 O ASP A 21 7.603 2.718 -5.320 1.00 8.11 O ATOM 331 CB ASP A 21 7.349 0.020 -7.359 1.00 11.00 C ATOM 332 CG ASP A 21 7.824 -0.955 -8.481 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.122 -0.508 -9.591 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.846 -2.208 -8.231 1.00 14.36 O ATOM 0 H ASP A 21 9.752 0.397 -6.625 1.00 7.50 H new ATOM 0 HA ASP A 21 8.125 1.731 -8.388 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.485 -0.461 -6.390 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.281 0.203 -7.477 1.00 11.00 H new ATOM 339 N THR A 22 6.312 3.218 -7.086 1.00 5.37 N ATOM 340 CA THR A 22 5.518 4.217 -6.430 1.00 6.01 C ATOM 341 C THR A 22 4.472 3.604 -5.544 1.00 8.01 C ATOM 342 O THR A 22 4.155 2.435 -5.731 1.00 8.11 O ATOM 343 CB THR A 22 4.861 5.264 -7.391 1.00 8.92 C ATOM 344 OG1 THR A 22 4.099 4.695 -8.397 1.00 10.22 O ATOM 345 CG2 THR A 22 5.972 6.109 -8.007 1.00 9.65 C ATOM 0 H THR A 22 6.089 3.137 -8.078 1.00 5.37 H new ATOM 0 HA THR A 22 6.232 4.770 -5.820 1.00 6.01 H new ATOM 0 HB THR A 22 4.175 5.868 -6.798 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.984 5.340 -9.125 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.537 6.847 -8.681 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.522 6.620 -7.216 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.653 5.465 -8.564 1.00 9.65 H new ATOM 353 N ILE A 23 3.891 4.327 -4.630 1.00 8.32 N ATOM 354 CA ILE A 23 2.649 3.905 -3.981 1.00 9.92 C ATOM 355 C ILE A 23 1.502 3.729 -4.907 1.00 10.01 C ATOM 356 O ILE A 23 0.725 2.865 -4.731 1.00 8.71 O ATOM 357 CB ILE A 23 2.252 4.909 -2.896 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.468 5.264 -1.938 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.027 4.429 -2.081 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.029 4.144 -1.105 1.00 12.30 C ATOM 0 H ILE A 23 4.250 5.224 -4.304 1.00 8.32 H new ATOM 0 HA ILE A 23 2.867 2.925 -3.556 1.00 9.92 H new ATOM 0 HB ILE A 23 1.964 5.824 -3.414 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.275 5.668 -2.550 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.148 6.060 -1.265 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.781 5.172 -1.323 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.176 4.296 -2.748 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.261 3.481 -1.597 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.852 4.520 -0.498 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.249 3.749 -0.454 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.393 3.351 -1.759 1.00 12.30 H new ATOM 372 N GLU A 24 1.440 4.486 -6.038 1.00 9.54 N ATOM 373 CA GLU A 24 0.511 4.403 -7.167 1.00 11.81 C ATOM 374 C GLU A 24 0.563 3.074 -7.909 1.00 11.14 C ATOM 375 O GLU A 24 -0.482 2.415 -8.209 1.00 10.62 O ATOM 376 CB GLU A 24 0.758 5.611 -8.126 1.00 19.24 C ATOM 377 CG GLU A 24 -0.274 5.674 -9.271 1.00 27.76 C ATOM 378 CD GLU A 24 -0.017 6.681 -10.335 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.081 6.684 -10.971 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.937 7.541 -10.497 1.00 36.51 O ATOM 0 H GLU A 24 2.112 5.240 -6.181 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.500 4.455 -6.763 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.720 6.539 -7.555 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.760 5.537 -8.548 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.328 4.690 -9.737 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.254 5.876 -8.838 1.00 27.76 H new ATOM 387 N ASN A 25 1.771 2.564 -8.153 1.00 9.43 N ATOM 388 CA ASN A 25 1.885 1.211 -8.598 1.00 10.96 C ATOM 389 C ASN A 25 1.509 0.148 -7.566 1.00 9.68 C ATOM 390 O ASN A 25 0.860 -0.855 -7.874 1.00 9.33 O ATOM 391 CB ASN A 25 3.389 0.953 -8.980 1.00 16.78 C ATOM 392 CG ASN A 25 3.972 1.855 -10.076 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.187 2.127 -9.992 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.153 2.316 -11.074 1.00 24.70 N ATOM 0 H ASN A 25 2.652 3.067 -8.048 1.00 9.43 H new ATOM 0 HA ASN A 25 1.183 1.114 -9.426 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.996 1.069 -8.082 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.488 -0.084 -9.300 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.530 2.919 -11.805 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.167 2.056 -11.085 1.00 24.70 H new ATOM 401 N VAL A 26 1.741 0.384 -6.248 1.00 6.52 N ATOM 402 CA VAL A 26 1.255 -0.489 -5.137 1.00 5.53 C ATOM 403 C VAL A 26 -0.240 -0.588 -5.110 1.00 4.42 C ATOM 404 O VAL A 26 -0.806 -1.664 -4.993 1.00 3.40 O ATOM 405 CB VAL A 26 1.807 -0.098 -3.779 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.302 -1.043 -2.662 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.324 -0.302 -3.914 1.00 8.12 C ATOM 0 H VAL A 26 2.274 1.190 -5.920 1.00 6.52 H new ATOM 0 HA VAL A 26 1.650 -1.482 -5.354 1.00 5.53 H new ATOM 0 HB VAL A 26 1.506 0.916 -3.514 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.719 -0.730 -1.705 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.214 -1.001 -2.615 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.617 -2.064 -2.879 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.811 -0.042 -2.974 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.531 -1.345 -4.154 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.708 0.336 -4.710 1.00 8.12 H new ATOM 417 N LYS A 27 -0.939 0.478 -5.291 1.00 2.64 N ATOM 418 CA LYS A 27 -2.378 0.450 -5.294 1.00 4.14 C ATOM 419 C LYS A 27 -2.976 -0.399 -6.405 1.00 5.58 C ATOM 420 O LYS A 27 -3.982 -1.128 -6.323 1.00 4.11 O ATOM 421 CB LYS A 27 -3.010 1.847 -5.365 1.00 3.97 C ATOM 422 CG LYS A 27 -2.695 2.659 -4.035 1.00 7.45 C ATOM 423 CD LYS A 27 -3.454 3.959 -4.080 1.00 9.02 C ATOM 424 CE LYS A 27 -3.637 4.605 -2.738 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.204 5.946 -3.021 1.00 15.47 N ATOM 0 H LYS A 27 -0.536 1.403 -5.443 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.619 -0.009 -4.335 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.623 2.386 -6.230 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.088 1.760 -5.500 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.987 2.080 -3.159 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.625 2.848 -3.950 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.929 4.652 -4.737 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.434 3.781 -4.523 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.307 4.020 -2.108 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.688 4.684 -2.207 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.231 6.504 -2.144 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.610 6.433 -3.722 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.169 5.843 -3.396 1.00 15.47 H new ATOM 439 N ALA A 28 -2.274 -0.315 -7.577 1.00 6.61 N ATOM 440 CA ALA A 28 -2.542 -1.135 -8.750 1.00 7.74 C ATOM 441 C ALA A 28 -2.356 -2.678 -8.462 1.00 9.17 C ATOM 442 O ALA A 28 -3.280 -3.436 -8.719 1.00 11.45 O ATOM 443 CB ALA A 28 -1.742 -0.617 -9.966 1.00 7.68 C ATOM 0 H ALA A 28 -1.502 0.339 -7.711 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.596 -1.035 -9.008 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.954 -1.241 -10.834 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.031 0.412 -10.180 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.676 -0.656 -9.743 1.00 7.68 H new ATOM 449 N LYS A 29 -1.281 -3.031 -7.872 1.00 8.96 N ATOM 450 CA LYS A 29 -1.017 -4.382 -7.335 1.00 7.90 C ATOM 451 C LYS A 29 -2.017 -4.792 -6.224 1.00 6.92 C ATOM 452 O LYS A 29 -2.261 -5.984 -6.191 1.00 6.87 O ATOM 453 CB LYS A 29 0.387 -4.460 -6.800 1.00 10.28 C ATOM 454 CG LYS A 29 1.509 -4.357 -7.887 1.00 14.94 C ATOM 455 CD LYS A 29 2.910 -4.102 -7.276 1.00 19.69 C ATOM 456 CE LYS A 29 3.849 -3.416 -8.207 1.00 22.63 C ATOM 457 NZ LYS A 29 4.050 -4.233 -9.444 1.00 24.98 N ATOM 0 H LYS A 29 -0.504 -2.387 -7.724 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.145 -5.080 -8.162 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.529 -3.660 -6.074 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.505 -5.402 -6.264 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.533 -5.279 -8.468 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.266 -3.550 -8.579 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.800 -3.499 -6.374 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.344 -5.055 -6.972 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.456 -2.435 -8.472 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.806 -3.253 -7.712 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.806 -3.811 -10.020 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.316 -5.203 -9.180 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.167 -4.254 -9.994 1.00 24.98 H new ATOM 471 N ILE A 30 -2.501 -3.936 -5.275 1.00 4.57 N ATOM 472 CA ILE A 30 -3.499 -4.256 -4.304 1.00 5.58 C ATOM 473 C ILE A 30 -4.843 -4.522 -5.018 1.00 7.26 C ATOM 474 O ILE A 30 -5.388 -5.564 -4.788 1.00 9.46 O ATOM 475 CB ILE A 30 -3.580 -3.286 -3.124 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.303 -3.287 -2.315 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.780 -3.560 -2.192 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.093 -2.144 -1.301 1.00 2.00 C ATOM 0 H ILE A 30 -2.169 -2.975 -5.194 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.198 -5.178 -3.806 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.726 -2.302 -3.569 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.252 -4.230 -1.772 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.465 -3.275 -3.012 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.779 -2.837 -1.376 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.708 -3.469 -2.757 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.701 -4.568 -1.784 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.136 -2.277 -0.796 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.098 -1.188 -1.824 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.897 -2.159 -0.565 1.00 2.00 H new ATOM 490 N GLN A 31 -5.251 -3.677 -5.970 1.00 7.06 N ATOM 491 CA GLN A 31 -6.451 -3.893 -6.832 1.00 8.67 C ATOM 492 C GLN A 31 -6.296 -5.215 -7.655 1.00 10.90 C ATOM 493 O GLN A 31 -7.266 -5.980 -7.805 1.00 9.63 O ATOM 494 CB GLN A 31 -6.660 -2.744 -7.833 1.00 9.12 C ATOM 495 CG GLN A 31 -7.732 -2.846 -8.889 1.00 10.76 C ATOM 496 CD GLN A 31 -7.693 -1.593 -9.674 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.684 -0.855 -9.536 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.711 -1.355 -10.524 1.00 14.76 N ATOM 0 H GLN A 31 -4.760 -2.807 -6.178 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.309 -3.945 -6.161 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.861 -1.843 -7.254 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.712 -2.587 -8.348 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.558 -3.709 -9.532 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.712 -2.983 -8.431 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.925 -2.001 -10.589 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.739 -0.525 -11.116 1.00 14.76 H new ATOM 507 N ASP A 32 -5.101 -5.574 -8.084 1.00 10.93 N ATOM 508 CA ASP A 32 -4.838 -6.888 -8.728 1.00 14.01 C ATOM 509 C ASP A 32 -5.091 -8.090 -7.834 1.00 14.04 C ATOM 510 O ASP A 32 -5.542 -9.152 -8.243 1.00 13.39 O ATOM 511 CB ASP A 32 -3.470 -6.826 -9.349 1.00 18.01 C ATOM 512 CG ASP A 32 -3.266 -7.732 -10.453 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.019 -7.587 -11.469 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.437 -8.672 -10.422 1.00 25.17 O ATOM 0 H ASP A 32 -4.275 -4.980 -8.006 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.571 -7.061 -9.516 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.289 -5.808 -9.694 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.727 -7.039 -8.580 1.00 18.01 H new ATOM 519 N LYS A 33 -4.835 -7.881 -6.555 1.00 14.22 N ATOM 520 CA LYS A 33 -5.048 -9.013 -5.652 1.00 14.00 C ATOM 521 C LYS A 33 -6.460 -9.069 -5.069 1.00 12.37 C ATOM 522 O LYS A 33 -7.190 -10.027 -5.322 1.00 12.17 O ATOM 523 CB LYS A 33 -3.996 -8.863 -4.495 1.00 18.62 C ATOM 524 CG LYS A 33 -2.533 -9.086 -4.890 1.00 24.00 C ATOM 525 CD LYS A 33 -2.165 -10.506 -5.254 1.00 27.61 C ATOM 526 CE LYS A 33 -0.723 -10.602 -5.732 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.179 -11.911 -6.059 1.00 30.06 N ATOM 0 H LYS A 33 -4.505 -7.012 -6.135 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.927 -9.941 -6.211 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.090 -7.863 -4.072 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.251 -9.569 -3.704 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.302 -8.441 -5.738 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.899 -8.766 -4.063 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.307 -11.153 -4.388 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.834 -10.868 -6.035 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.626 -9.974 -6.617 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.090 -10.165 -4.960 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.809 -11.809 -6.367 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.218 -12.523 -5.219 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.738 -12.338 -6.825 1.00 30.06 H new ATOM 541 N GLU A 34 -6.914 -8.010 -4.377 1.00 10.11 N ATOM 542 CA GLU A 34 -8.195 -8.130 -3.638 1.00 10.07 C ATOM 543 C GLU A 34 -9.297 -7.229 -4.221 1.00 9.32 C ATOM 544 O GLU A 34 -10.414 -7.260 -3.728 1.00 11.61 O ATOM 545 CB GLU A 34 -7.938 -7.694 -2.159 1.00 14.77 C ATOM 546 CG GLU A 34 -6.987 -8.581 -1.389 1.00 18.75 C ATOM 547 CD GLU A 34 -7.594 -9.903 -1.167 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.688 -10.012 -0.462 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.084 -10.948 -1.612 1.00 25.19 O ATOM 0 H GLU A 34 -6.448 -7.105 -4.310 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.535 -9.163 -3.713 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.544 -6.678 -2.159 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.892 -7.666 -1.633 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.053 -8.689 -1.940 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.742 -8.120 -0.432 1.00 18.75 H new ATOM 556 N GLY A 35 -9.108 -6.492 -5.342 1.00 7.22 N ATOM 557 CA GLY A 35 -10.150 -5.818 -6.077 1.00 6.29 C ATOM 558 C GLY A 35 -10.579 -4.464 -5.564 1.00 6.93 C ATOM 559 O GLY A 35 -11.546 -3.818 -6.037 1.00 7.41 O ATOM 0 H GLY A 35 -8.185 -6.360 -5.755 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.817 -5.701 -7.108 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.026 -6.467 -6.097 1.00 6.29 H new ATOM 563 N ILE A 36 -9.819 -3.949 -4.585 1.00 5.86 N ATOM 564 CA ILE A 36 -10.108 -2.678 -3.924 1.00 6.07 C ATOM 565 C ILE A 36 -9.600 -1.542 -4.830 1.00 6.36 C ATOM 566 O ILE A 36 -8.472 -1.598 -5.308 1.00 6.18 O ATOM 567 CB ILE A 36 -9.490 -2.555 -2.529 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.885 -3.849 -1.730 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.019 -1.226 -1.859 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.940 -4.211 -0.596 1.00 9.49 C ATOM 0 H ILE A 36 -8.981 -4.411 -4.231 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.186 -2.619 -3.774 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.402 -2.486 -2.552 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.886 -3.715 -1.321 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.934 -4.687 -2.425 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.587 -1.124 -0.863 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.730 -0.371 -2.470 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.106 -1.265 -1.781 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.293 -5.117 -0.103 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.940 -4.382 -0.996 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.908 -3.394 0.125 1.00 9.49 H new ATOM 582 N PRO A 37 -10.399 -0.493 -5.107 1.00 8.65 N ATOM 583 CA PRO A 37 -9.883 0.504 -6.099 1.00 9.18 C ATOM 584 C PRO A 37 -8.911 1.506 -5.382 1.00 9.85 C ATOM 585 O PRO A 37 -9.017 1.620 -4.152 1.00 8.51 O ATOM 586 CB PRO A 37 -11.256 1.119 -6.636 1.00 11.42 C ATOM 587 CG PRO A 37 -12.350 0.109 -6.280 1.00 9.27 C ATOM 588 CD PRO A 37 -11.907 -0.444 -4.973 1.00 8.33 C ATOM 0 HA PRO A 37 -9.271 0.129 -6.919 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.455 2.086 -6.174 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.214 1.282 -7.713 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.326 0.587 -6.202 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.436 -0.671 -7.036 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.216 0.190 -4.142 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.327 -1.433 -4.792 1.00 8.33 H new ATOM 596 N PRO A 38 -7.940 2.029 -6.101 1.00 8.71 N ATOM 597 CA PRO A 38 -6.917 2.964 -5.583 1.00 9.08 C ATOM 598 C PRO A 38 -7.361 4.045 -4.634 1.00 9.28 C ATOM 599 O PRO A 38 -6.712 4.260 -3.632 1.00 6.50 O ATOM 600 CB PRO A 38 -6.265 3.478 -6.819 1.00 10.31 C ATOM 601 CG PRO A 38 -6.421 2.302 -7.901 1.00 10.81 C ATOM 602 CD PRO A 38 -7.737 1.744 -7.540 1.00 12.00 C ATOM 0 HA PRO A 38 -6.244 2.435 -4.908 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.743 4.395 -7.163 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.215 3.713 -6.642 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.402 2.680 -8.923 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.625 1.562 -7.820 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.527 2.197 -8.139 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.768 0.671 -7.730 1.00 12.00 H new ATOM 610 N ASP A 39 -8.566 4.715 -4.897 1.00 11.20 N ATOM 611 CA ASP A 39 -8.983 5.790 -4.087 1.00 14.96 C ATOM 612 C ASP A 39 -9.946 5.307 -2.985 1.00 13.99 C ATOM 613 O ASP A 39 -10.636 6.015 -2.276 1.00 13.75 O ATOM 614 CB ASP A 39 -9.694 6.882 -4.975 1.00 24.16 C ATOM 615 CG ASP A 39 -8.730 7.632 -5.820 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.833 8.290 -5.281 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.906 7.640 -7.036 1.00 35.55 O ATOM 0 H ASP A 39 -9.200 4.482 -5.661 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.104 6.223 -3.610 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.437 6.402 -5.612 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.229 7.580 -4.331 1.00 24.16 H new ATOM 622 N GLN A 40 -10.087 3.976 -2.853 1.00 11.60 N ATOM 623 CA GLN A 40 -10.683 3.272 -1.728 1.00 10.76 C ATOM 624 C GLN A 40 -9.640 2.582 -0.845 1.00 8.01 C ATOM 625 O GLN A 40 -9.928 1.721 -0.038 1.00 8.96 O ATOM 626 CB GLN A 40 -11.614 2.156 -2.121 1.00 11.14 C ATOM 627 CG GLN A 40 -12.894 2.718 -2.776 1.00 14.85 C ATOM 628 CD GLN A 40 -13.960 1.590 -2.876 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.054 0.691 -2.053 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.701 1.635 -3.983 1.00 18.16 N ATOM 0 H GLN A 40 -9.765 3.334 -3.578 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.216 4.071 -1.212 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.110 1.483 -2.815 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.877 1.569 -1.241 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.282 3.549 -2.188 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.667 3.108 -3.768 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.588 2.406 -4.642 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.381 0.899 -4.172 1.00 18.16 H new ATOM 639 N GLN A 41 -8.356 2.981 -1.044 1.00 6.52 N ATOM 640 CA GLN A 41 -7.203 2.479 -0.340 1.00 3.87 C ATOM 641 C GLN A 41 -6.634 3.660 0.421 1.00 4.79 C ATOM 642 O GLN A 41 -6.299 4.720 -0.148 1.00 6.34 O ATOM 643 CB GLN A 41 -6.198 1.846 -1.319 1.00 4.20 C ATOM 644 CG GLN A 41 -6.699 0.593 -2.058 1.00 3.20 C ATOM 645 CD GLN A 41 -5.583 -0.039 -2.952 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.394 0.036 -2.690 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.005 -0.568 -4.109 1.00 7.13 N ATOM 0 H GLN A 41 -8.113 3.692 -1.734 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.458 1.679 0.355 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.916 2.595 -2.059 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.294 1.586 -0.768 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.044 -0.143 -1.332 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.556 0.855 -2.678 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.003 -0.622 -4.311 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.328 -0.916 -4.788 1.00 7.13 H new ATOM 656 N ARG A 42 -6.545 3.596 1.761 1.00 5.73 N ATOM 657 CA ARG A 42 -5.822 4.494 2.629 1.00 6.97 C ATOM 658 C ARG A 42 -4.720 3.602 3.207 1.00 7.15 C ATOM 659 O ARG A 42 -5.023 2.638 3.906 1.00 7.33 O ATOM 660 CB ARG A 42 -6.700 5.094 3.725 1.00 13.23 C ATOM 661 CG ARG A 42 -5.966 6.145 4.577 1.00 21.27 C ATOM 662 CD ARG A 42 -6.862 6.681 5.693 1.00 26.14 C ATOM 663 NE ARG A 42 -7.874 7.615 5.020 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.234 7.521 5.103 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.929 6.625 5.838 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.850 8.426 4.403 1.00 36.39 N ATOM 0 H ARG A 42 -7.015 2.858 2.286 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.439 5.366 2.099 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.578 5.553 3.269 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.059 4.295 4.374 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.068 5.703 5.009 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.641 6.969 3.941 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.369 5.866 6.210 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.275 7.216 6.440 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.497 8.378 4.458 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.434 5.933 6.401 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.949 6.640 5.830 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.314 9.109 3.868 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.870 8.453 4.389 1.00 36.39 H new ATOM 680 N LEU A 43 -3.461 3.867 2.903 1.00 4.65 N ATOM 681 CA LEU A 43 -2.329 2.928 3.175 1.00 3.51 C ATOM 682 C LEU A 43 -1.417 3.477 4.241 1.00 5.56 C ATOM 683 O LEU A 43 -1.030 4.672 4.182 1.00 4.19 O ATOM 684 CB LEU A 43 -1.501 2.586 1.915 1.00 3.74 C ATOM 685 CG LEU A 43 -2.274 1.760 0.837 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.669 1.875 -0.591 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.360 0.370 1.372 1.00 6.41 C ATOM 0 H LEU A 43 -3.169 4.737 2.458 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.790 2.003 3.522 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.152 3.514 1.462 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.616 2.026 2.218 1.00 3.74 H new ATOM 0 HG LEU A 43 -3.276 2.159 0.679 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -2.258 1.275 -1.285 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.683 2.917 -0.909 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.641 1.513 -0.581 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.893 -0.261 0.661 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.355 -0.024 1.525 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.895 0.378 2.322 1.00 6.41 H new ATOM 699 N ILE A 44 -1.057 2.744 5.257 1.00 4.58 N ATOM 700 CA ILE A 44 -0.436 3.122 6.452 1.00 5.55 C ATOM 701 C ILE A 44 0.810 2.295 6.681 1.00 5.46 C ATOM 702 O ILE A 44 0.784 1.053 6.580 1.00 6.04 O ATOM 703 CB ILE A 44 -1.425 2.916 7.669 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.802 3.645 7.506 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.649 3.275 8.931 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.694 5.110 7.209 1.00 13.90 C ATOM 0 H ILE A 44 -1.224 1.738 5.242 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.163 4.175 6.378 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.745 1.876 7.726 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.362 3.164 6.704 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.380 3.513 8.421 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.292 3.148 9.802 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.219 2.622 9.023 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.318 4.312 8.872 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.693 5.536 7.112 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.165 5.608 8.021 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.146 5.253 6.278 1.00 13.90 H new ATOM 718 N PHE A 45 1.919 2.953 7.045 1.00 6.75 N ATOM 719 CA PHE A 45 3.164 2.291 7.403 1.00 4.70 C ATOM 720 C PHE A 45 3.945 3.147 8.356 1.00 6.34 C ATOM 721 O PHE A 45 4.118 4.321 8.066 1.00 5.45 O ATOM 722 CB PHE A 45 3.946 1.796 6.156 1.00 5.51 C ATOM 723 CG PHE A 45 5.225 1.038 6.522 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.125 -0.116 7.258 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.515 1.561 6.183 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.327 -0.892 7.423 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.718 0.854 6.496 1.00 6.64 C ATOM 728 CZ PHE A 45 7.583 -0.387 7.127 1.00 6.84 C ATOM 0 H PHE A 45 1.969 3.970 7.097 1.00 6.75 H new ATOM 0 HA PHE A 45 2.945 1.370 7.942 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.302 1.148 5.562 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.202 2.651 5.530 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.187 -0.428 7.694 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.581 2.514 5.678 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.247 -1.904 7.791 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.689 1.261 6.255 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.464 -0.956 7.385 1.00 6.84 H new ATOM 738 N ALA A 46 4.369 2.585 9.481 1.00 6.53 N ATOM 739 CA ALA A 46 5.047 3.340 10.572 1.00 7.15 C ATOM 740 C ALA A 46 4.372 4.580 11.017 1.00 9.00 C ATOM 741 O ALA A 46 4.971 5.577 11.158 1.00 11.15 O ATOM 742 CB ALA A 46 6.563 3.533 10.356 1.00 8.99 C ATOM 0 H ALA A 46 4.261 1.591 9.680 1.00 6.53 H new ATOM 0 HA ALA A 46 4.941 2.663 11.420 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.982 4.091 11.193 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.048 2.559 10.291 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.731 4.085 9.431 1.00 8.99 H new ATOM 748 N GLY A 47 3.029 4.505 11.198 1.00 9.35 N ATOM 749 CA GLY A 47 2.165 5.615 11.505 1.00 11.68 C ATOM 750 C GLY A 47 1.832 6.406 10.298 1.00 11.14 C ATOM 751 O GLY A 47 0.745 6.974 10.158 1.00 13.93 O ATOM 0 H GLY A 47 2.523 3.623 11.126 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.247 5.245 11.961 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.649 6.259 12.239 1.00 11.68 H new ATOM 755 N LYS A 48 2.687 6.503 9.326 1.00 10.47 N ATOM 756 CA LYS A 48 2.544 7.386 8.159 1.00 8.82 C ATOM 757 C LYS A 48 1.657 6.879 7.052 1.00 7.68 C ATOM 758 O LYS A 48 1.553 5.672 6.826 1.00 6.47 O ATOM 759 CB LYS A 48 3.917 7.714 7.560 1.00 9.74 C ATOM 760 CG LYS A 48 4.898 8.408 8.581 1.00 14.14 C ATOM 761 CD LYS A 48 6.287 8.441 8.010 1.00 16.32 C ATOM 762 CE LYS A 48 7.261 9.196 8.863 1.00 20.04 C ATOM 763 NZ LYS A 48 8.585 9.141 8.191 1.00 23.92 N ATOM 0 H LYS A 48 3.547 5.955 9.303 1.00 10.47 H new ATOM 0 HA LYS A 48 2.051 8.269 8.564 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.375 6.794 7.196 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.782 8.366 6.697 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.558 9.422 8.794 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.896 7.866 9.527 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.644 7.419 7.881 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.254 8.895 7.019 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.938 10.230 8.989 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.319 8.756 9.859 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.285 9.658 8.760 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.883 8.150 8.092 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.515 9.577 7.249 1.00 23.92 H new ATOM 777 N GLN A 49 0.962 7.820 6.449 1.00 8.89 N ATOM 778 CA GLN A 49 -0.077 7.599 5.477 1.00 7.18 C ATOM 779 C GLN A 49 0.545 7.824 4.145 1.00 8.23 C ATOM 780 O GLN A 49 1.130 8.844 3.864 1.00 9.70 O ATOM 781 CB GLN A 49 -1.204 8.542 5.794 1.00 11.67 C ATOM 782 CG GLN A 49 -2.444 8.591 4.840 1.00 15.82 C ATOM 783 CD GLN A 49 -3.554 9.490 5.343 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.693 9.812 6.526 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.410 10.005 4.456 1.00 20.67 N ATOM 0 H GLN A 49 1.118 8.810 6.637 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.498 6.594 5.487 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.567 8.298 6.792 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.787 9.548 5.844 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.124 8.937 3.857 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.834 7.581 4.711 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.328 9.763 3.468 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.145 10.640 4.766 1.00 20.67 H new ATOM 794 N LEU A 50 0.582 6.788 3.302 1.00 6.51 N ATOM 795 CA LEU A 50 1.441 6.763 2.153 1.00 7.41 C ATOM 796 C LEU A 50 0.828 7.446 0.924 1.00 8.27 C ATOM 797 O LEU A 50 -0.112 6.865 0.311 1.00 8.34 O ATOM 798 CB LEU A 50 1.924 5.341 1.828 1.00 7.13 C ATOM 799 CG LEU A 50 2.456 4.474 2.992 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.662 3.050 2.566 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.730 5.036 3.576 1.00 9.11 C ATOM 0 H LEU A 50 0.010 5.951 3.412 1.00 6.51 H new ATOM 0 HA LEU A 50 2.315 7.355 2.424 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.097 4.805 1.363 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.714 5.419 1.081 1.00 7.13 H new ATOM 0 HG LEU A 50 1.693 4.493 3.771 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.036 2.469 3.409 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.714 2.631 2.228 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.385 3.015 1.751 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.070 4.397 4.391 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.497 5.077 2.803 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.544 6.040 3.956 1.00 9.11 H new ATOM 813 N GLU A 51 1.239 8.714 0.662 1.00 9.43 N ATOM 814 CA GLU A 51 0.962 9.551 -0.517 1.00 11.90 C ATOM 815 C GLU A 51 1.417 8.849 -1.849 1.00 11.49 C ATOM 816 O GLU A 51 2.437 8.187 -1.874 1.00 9.88 O ATOM 817 CB GLU A 51 1.577 10.970 -0.356 1.00 16.56 C ATOM 818 CG GLU A 51 1.210 11.968 -1.452 1.00 26.06 C ATOM 819 CD GLU A 51 1.885 13.297 -1.202 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.701 13.870 -0.080 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.526 13.857 -2.107 1.00 32.13 O ATOM 0 H GLU A 51 1.823 9.213 1.334 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.118 9.678 -0.588 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.262 11.378 0.604 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.662 10.876 -0.322 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.511 11.577 -2.424 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.129 12.102 -1.483 1.00 26.06 H new ATOM 828 N ASP A 52 0.621 9.015 -2.905 1.00 12.71 N ATOM 829 CA ASP A 52 0.675 8.267 -4.102 1.00 16.56 C ATOM 830 C ASP A 52 1.967 8.376 -4.980 1.00 15.83 C ATOM 831 O ASP A 52 2.563 7.433 -5.401 1.00 17.21 O ATOM 832 CB ASP A 52 -0.462 8.731 -5.025 1.00 21.05 C ATOM 833 CG ASP A 52 -1.801 8.502 -4.285 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.209 9.417 -3.554 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.479 7.469 -4.408 1.00 25.82 O ATOM 0 H ASP A 52 -0.112 9.724 -2.921 1.00 12.71 H new ATOM 0 HA ASP A 52 0.622 7.239 -3.744 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.342 9.784 -5.278 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.444 8.174 -5.962 1.00 21.05 H new ATOM 840 N GLY A 53 2.412 9.610 -5.224 1.00 15.00 N ATOM 841 CA GLY A 53 3.581 9.819 -6.195 1.00 11.77 C ATOM 842 C GLY A 53 4.931 9.618 -5.497 1.00 11.10 C ATOM 843 O GLY A 53 5.983 9.873 -6.094 1.00 11.25 O ATOM 0 H GLY A 53 2.032 10.461 -4.809 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.493 9.122 -7.028 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.533 10.824 -6.614 1.00 11.77 H new ATOM 847 N ARG A 54 4.918 9.144 -4.242 1.00 8.53 N ATOM 848 CA ARG A 54 6.052 8.877 -3.501 1.00 9.05 C ATOM 849 C ARG A 54 6.459 7.402 -3.817 1.00 8.96 C ATOM 850 O ARG A 54 5.644 6.600 -4.298 1.00 11.60 O ATOM 851 CB ARG A 54 5.870 9.114 -1.959 1.00 7.97 C ATOM 852 CG ARG A 54 5.151 10.411 -1.489 1.00 9.62 C ATOM 853 CD ARG A 54 5.972 11.655 -1.817 1.00 12.20 C ATOM 854 NE ARG A 54 5.066 12.829 -1.503 1.00 18.23 N ATOM 855 CZ ARG A 54 5.458 13.914 -0.849 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.751 14.044 -0.480 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.579 14.734 -0.397 1.00 23.38 N ATOM 0 H ARG A 54 4.054 8.944 -3.739 1.00 8.53 H new ATOM 0 HA ARG A 54 6.840 9.575 -3.784 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.319 8.264 -1.555 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.859 9.099 -1.502 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.175 10.481 -1.968 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.976 10.362 -0.414 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.884 11.692 -1.221 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.275 11.661 -2.864 1.00 12.20 H new ATOM 0 HE ARG A 54 4.096 12.782 -1.814 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.422 13.309 -0.705 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.056 14.877 0.023 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.586 14.549 -0.542 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.873 15.571 0.107 1.00 23.38 H new ATOM 871 N THR A 55 7.734 7.017 -3.626 1.00 9.05 N ATOM 872 CA THR A 55 8.202 5.666 -3.814 1.00 9.03 C ATOM 873 C THR A 55 8.269 4.998 -2.507 1.00 8.15 C ATOM 874 O THR A 55 8.206 5.600 -1.425 1.00 5.91 O ATOM 875 CB THR A 55 9.621 5.554 -4.484 1.00 11.15 C ATOM 876 OG1 THR A 55 10.619 6.214 -3.793 1.00 11.95 O ATOM 877 CG2 THR A 55 9.571 6.161 -5.895 1.00 11.71 C ATOM 0 H THR A 55 8.468 7.662 -3.331 1.00 9.05 H new ATOM 0 HA THR A 55 7.490 5.196 -4.493 1.00 9.03 H new ATOM 0 HB THR A 55 9.860 4.491 -4.493 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.444 7.178 -3.807 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.554 6.084 -6.359 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.841 5.621 -6.498 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.282 7.210 -5.830 1.00 11.71 H new ATOM 885 N LEU A 56 8.421 3.641 -2.554 1.00 6.91 N ATOM 886 CA LEU A 56 8.679 2.851 -1.397 1.00 8.29 C ATOM 887 C LEU A 56 9.875 3.268 -0.561 1.00 8.05 C ATOM 888 O LEU A 56 9.737 3.471 0.647 1.00 10.17 O ATOM 889 CB LEU A 56 8.787 1.316 -1.852 1.00 6.60 C ATOM 890 CG LEU A 56 7.488 0.796 -2.446 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.653 -0.636 -2.966 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.406 0.794 -1.420 1.00 8.64 C ATOM 0 H LEU A 56 8.361 3.100 -3.417 1.00 6.91 H new ATOM 0 HA LEU A 56 7.840 3.009 -0.719 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.586 1.213 -2.586 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.062 0.704 -0.993 1.00 6.60 H new ATOM 0 HG LEU A 56 7.224 1.458 -3.271 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.708 -0.982 -3.385 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.422 -0.656 -3.738 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.947 -1.290 -2.145 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.484 0.419 -1.864 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.695 0.153 -0.588 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.247 1.809 -1.057 1.00 8.64 H new ATOM 904 N SER A 57 11.063 3.526 -1.193 1.00 8.92 N ATOM 905 CA SER A 57 12.269 3.889 -0.426 1.00 9.00 C ATOM 906 C SER A 57 12.233 5.300 0.106 1.00 9.44 C ATOM 907 O SER A 57 12.986 5.607 1.063 1.00 10.91 O ATOM 908 CB SER A 57 13.511 3.668 -1.236 1.00 10.32 C ATOM 909 OG SER A 57 13.434 4.342 -2.488 1.00 13.59 O ATOM 0 H SER A 57 11.196 3.487 -2.204 1.00 8.92 H new ATOM 0 HA SER A 57 12.285 3.226 0.439 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.379 4.024 -0.681 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.655 2.600 -1.403 1.00 10.32 H new ATOM 0 HG SER A 57 14.257 4.183 -2.996 1.00 13.59 H new ATOM 915 N ASP A 58 11.315 6.205 -0.388 1.00 9.11 N ATOM 916 CA ASP A 58 11.069 7.523 0.208 1.00 7.91 C ATOM 917 C ASP A 58 10.481 7.372 1.578 1.00 9.12 C ATOM 918 O ASP A 58 10.660 8.194 2.443 1.00 8.61 O ATOM 919 CB ASP A 58 10.064 8.428 -0.562 1.00 8.41 C ATOM 920 CG ASP A 58 10.622 8.628 -1.936 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.849 8.826 -2.103 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.843 8.540 -2.931 1.00 10.05 O ATOM 0 H ASP A 58 10.739 6.018 -1.209 1.00 9.11 H new ATOM 0 HA ASP A 58 12.052 7.994 0.193 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.081 7.960 -0.609 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.938 9.384 -0.054 1.00 8.41 H new ATOM 927 N TYR A 59 9.731 6.266 1.809 1.00 7.97 N ATOM 928 CA TYR A 59 8.997 5.969 3.015 1.00 8.45 C ATOM 929 C TYR A 59 9.701 4.975 3.824 1.00 10.98 C ATOM 930 O TYR A 59 9.112 4.591 4.806 1.00 12.95 O ATOM 931 CB TYR A 59 7.593 5.465 2.697 1.00 7.94 C ATOM 932 CG TYR A 59 6.635 6.629 2.581 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.415 7.442 3.690 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.989 6.870 1.367 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.522 8.482 3.660 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.066 7.945 1.343 1.00 6.52 C ATOM 937 CZ TYR A 59 4.824 8.727 2.469 1.00 6.76 C ATOM 938 OH TYR A 59 3.767 9.647 2.472 1.00 7.63 O ATOM 0 H TYR A 59 9.632 5.533 1.107 1.00 7.97 H new ATOM 0 HA TYR A 59 8.917 6.897 3.582 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.604 4.899 1.765 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.257 4.784 3.479 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.964 7.248 4.600 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.183 6.268 0.491 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.360 9.097 4.533 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.537 8.163 0.427 1.00 6.52 H new ATOM 0 HH TYR A 59 3.035 9.302 3.025 1.00 7.63 H new ATOM 948 N ASN A 60 10.909 4.571 3.491 1.00 12.38 N ATOM 949 CA ASN A 60 11.804 3.670 4.214 1.00 13.94 C ATOM 950 C ASN A 60 11.232 2.300 4.233 1.00 14.16 C ATOM 951 O ASN A 60 11.146 1.651 5.288 1.00 14.26 O ATOM 952 CB ASN A 60 12.015 4.232 5.649 1.00 19.23 C ATOM 953 CG ASN A 60 12.659 5.636 5.644 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.005 6.689 5.584 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.034 5.650 5.660 1.00 24.09 N ATOM 0 H ASN A 60 11.337 4.893 2.623 1.00 12.38 H new ATOM 0 HA ASN A 60 12.773 3.608 3.719 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.055 4.278 6.163 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.647 3.548 6.215 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.535 6.537 5.622 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.552 4.773 5.710 1.00 24.09 H new ATOM 962 N ILE A 61 10.714 1.817 3.078 1.00 11.08 N ATOM 963 CA ILE A 61 10.201 0.472 2.995 1.00 11.78 C ATOM 964 C ILE A 61 11.133 -0.478 2.271 1.00 13.74 C ATOM 965 O ILE A 61 11.983 -0.067 1.436 1.00 14.60 O ATOM 966 CB ILE A 61 8.906 0.559 2.173 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.746 1.312 2.912 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.402 -0.840 1.777 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.596 1.699 2.004 1.00 11.42 C ATOM 0 H ILE A 61 10.651 2.351 2.211 1.00 11.08 H new ATOM 0 HA ILE A 61 10.065 0.088 4.006 1.00 11.78 H new ATOM 0 HB ILE A 61 9.172 1.134 1.286 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.367 0.679 3.714 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.148 2.212 3.378 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.484 -0.745 1.196 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.160 -1.344 1.178 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.204 -1.423 2.676 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.832 2.216 2.585 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.960 2.358 1.216 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.167 0.802 1.557 1.00 11.42 H new ATOM 981 N GLN A 62 11.105 -1.791 2.790 1.00 13.97 N ATOM 982 CA GLN A 62 12.162 -2.734 2.573 1.00 15.52 C ATOM 983 C GLN A 62 11.627 -4.173 2.443 1.00 13.94 C ATOM 984 O GLN A 62 10.485 -4.468 2.618 1.00 12.15 O ATOM 985 CB GLN A 62 13.233 -2.649 3.701 1.00 19.53 C ATOM 986 CG GLN A 62 13.925 -1.340 3.939 1.00 26.38 C ATOM 987 CD GLN A 62 15.237 -1.538 4.754 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.281 -1.481 4.124 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.037 -1.819 6.062 1.00 32.71 N ATOM 0 H GLN A 62 10.335 -2.156 3.351 1.00 13.97 H new ATOM 0 HA GLN A 62 12.637 -2.470 1.628 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.754 -2.944 4.635 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.999 -3.394 3.486 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.155 -0.868 2.984 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.258 -0.665 4.476 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.091 -1.827 6.443 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.832 -2.022 6.667 1.00 32.71 H new ATOM 998 N LYS A 63 12.530 -5.097 2.148 1.00 11.73 N ATOM 999 CA LYS A 63 12.293 -6.510 2.003 1.00 11.97 C ATOM 1000 C LYS A 63 11.461 -7.241 3.088 1.00 10.41 C ATOM 1001 O LYS A 63 11.955 -7.387 4.218 1.00 9.59 O ATOM 1002 CB LYS A 63 13.672 -7.326 1.981 1.00 13.73 C ATOM 1003 CG LYS A 63 13.529 -8.828 1.768 1.00 16.98 C ATOM 1004 CD LYS A 63 14.804 -9.538 1.386 1.00 20.19 C ATOM 1005 CE LYS A 63 14.572 -11.099 1.472 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.780 -11.778 1.000 1.00 25.97 N ATOM 0 H LYS A 63 13.509 -4.855 1.995 1.00 11.73 H new ATOM 0 HA LYS A 63 11.718 -6.511 1.077 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.304 -6.921 1.191 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.192 -7.156 2.924 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.141 -9.275 2.683 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.786 -9.001 0.989 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.103 -9.257 0.376 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.614 -9.241 2.052 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.350 -11.392 2.498 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.714 -11.388 0.865 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.642 -12.808 1.051 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.971 -11.503 0.015 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.587 -11.507 1.598 1.00 25.97 H new ATOM 1020 N GLU A 64 10.248 -7.682 2.682 1.00 10.04 N ATOM 1021 CA GLU A 64 9.359 -8.523 3.498 1.00 10.94 C ATOM 1022 C GLU A 64 8.952 -7.958 4.814 1.00 9.74 C ATOM 1023 O GLU A 64 9.025 -8.521 5.903 1.00 9.42 O ATOM 1024 CB GLU A 64 9.787 -9.968 3.710 1.00 18.31 C ATOM 1025 CG GLU A 64 9.836 -10.871 2.417 1.00 24.16 C ATOM 1026 CD GLU A 64 10.464 -12.205 2.781 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.427 -12.249 3.656 1.00 31.72 O ATOM 1028 OE2 GLU A 64 9.968 -13.281 2.324 1.00 32.61 O ATOM 0 H GLU A 64 9.860 -7.458 1.766 1.00 10.04 H new ATOM 0 HA GLU A 64 8.493 -8.526 2.836 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.776 -9.970 4.168 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.104 -10.427 4.424 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.831 -11.021 2.022 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.416 -10.381 1.635 1.00 24.16 H new ATOM 1035 N SER A 65 8.473 -6.637 4.695 1.00 6.85 N ATOM 1036 CA SER A 65 7.995 -5.843 5.820 1.00 6.90 C ATOM 1037 C SER A 65 6.532 -5.594 5.623 1.00 4.72 C ATOM 1038 O SER A 65 6.085 -5.606 4.454 1.00 3.91 O ATOM 1039 CB SER A 65 8.838 -4.558 5.954 1.00 7.28 C ATOM 1040 OG SER A 65 8.516 -3.834 7.144 1.00 10.56 O ATOM 0 H SER A 65 8.429 -6.143 3.804 1.00 6.85 H new ATOM 0 HA SER A 65 8.114 -6.370 6.767 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.897 -4.817 5.961 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.671 -3.922 5.085 1.00 7.28 H new ATOM 0 HG SER A 65 8.291 -2.909 6.913 1.00 10.56 H new ATOM 1046 N THR A 66 5.737 -5.360 6.731 1.00 4.48 N ATOM 1047 CA THR A 66 4.293 -5.505 6.728 1.00 3.80 C ATOM 1048 C THR A 66 3.717 -4.146 6.750 1.00 4.60 C ATOM 1049 O THR A 66 3.718 -3.371 7.735 1.00 5.33 O ATOM 1050 CB THR A 66 3.690 -6.378 7.866 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.233 -7.697 7.673 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.139 -6.498 7.813 1.00 3.40 C ATOM 0 H THR A 66 6.114 -5.067 7.632 1.00 4.48 H new ATOM 0 HA THR A 66 4.031 -6.059 5.826 1.00 3.80 H new ATOM 0 HB THR A 66 3.936 -5.918 8.823 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.888 -8.297 8.366 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.794 -7.121 8.638 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.694 -5.506 7.897 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.841 -6.950 6.867 1.00 3.40 H new ATOM 1060 N LEU A 67 3.121 -3.805 5.551 1.00 4.17 N ATOM 1061 CA LEU A 67 2.289 -2.610 5.369 1.00 3.85 C ATOM 1062 C LEU A 67 0.919 -2.828 5.936 1.00 3.80 C ATOM 1063 O LEU A 67 0.483 -3.997 5.973 1.00 5.54 O ATOM 1064 CB LEU A 67 2.250 -2.179 3.919 1.00 7.18 C ATOM 1065 CG LEU A 67 3.520 -1.956 3.176 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.067 -1.523 1.776 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.359 -1.006 3.930 1.00 11.66 C ATOM 0 H LEU A 67 3.219 -4.365 4.704 1.00 4.17 H new ATOM 0 HA LEU A 67 2.743 -1.789 5.924 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.682 -2.931 3.372 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.679 -1.252 3.871 1.00 7.18 H new ATOM 0 HG LEU A 67 4.169 -2.825 3.067 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.941 -1.335 1.153 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.465 -2.313 1.328 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.473 -0.612 1.851 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.292 -0.838 3.392 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.828 -0.060 4.041 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.578 -1.417 4.916 1.00 11.66 H new ATOM 1079 N HIS A 68 0.184 -1.770 6.252 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.163 -1.869 6.634 1.00 4.17 C ATOM 1081 C HIS A 68 -2.101 -1.177 5.640 1.00 5.32 C ATOM 1082 O HIS A 68 -1.730 -0.099 5.082 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.368 -1.192 8.026 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.067 -2.052 9.232 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.203 -2.119 9.791 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.934 -2.761 10.056 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.091 -2.803 10.917 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.154 -3.276 11.168 1.00 16.30 N ATOM 0 H HIS A 68 0.541 -0.815 6.241 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.403 -2.932 6.667 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.738 -0.303 8.072 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.402 -0.854 8.095 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.993 -2.903 9.898 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.924 -2.971 11.583 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.467 -3.853 11.948 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.320 -1.671 5.430 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.399 -1.168 4.568 1.00 3.97 C ATOM 1098 C LEU A 69 -5.685 -0.902 5.365 1.00 5.07 C ATOM 1099 O LEU A 69 -6.236 -1.710 6.088 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.709 -2.172 3.461 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.926 -2.011 2.631 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.015 -0.679 1.818 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.987 -3.145 1.594 1.00 9.96 C ATOM 0 H LEU A 69 -3.611 -2.524 5.908 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.051 -0.229 4.137 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.855 -2.182 2.784 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.761 -3.158 3.923 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.746 -2.018 3.349 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.943 -0.663 1.246 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.997 0.168 2.504 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.167 -0.612 1.136 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.881 -3.030 0.981 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.103 -3.104 0.957 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.020 -4.106 2.107 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.199 0.297 5.165 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.482 0.817 5.636 1.00 6.26 C ATOM 1117 C VAL A 70 -8.409 1.096 4.500 1.00 9.22 C ATOM 1118 O VAL A 70 -8.098 1.782 3.519 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.347 2.062 6.460 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.686 2.543 7.076 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.375 1.796 7.628 1.00 8.54 C ATOM 0 H VAL A 70 -5.691 0.996 4.623 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.893 0.031 6.270 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.985 2.837 5.784 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.514 3.448 7.659 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.398 2.755 6.278 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.089 1.765 7.724 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.274 2.699 8.230 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.764 0.988 8.248 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.400 1.513 7.232 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.650 0.622 4.535 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.542 0.875 3.445 1.00 16.06 C ATOM 1133 C LEU A 71 -11.076 2.309 3.460 1.00 18.09 C ATOM 1134 O LEU A 71 -11.675 2.769 4.439 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.672 -0.135 3.400 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.375 -1.388 2.583 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.662 -1.195 1.096 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.997 -2.053 2.822 1.00 19.57 C ATOM 0 H LEU A 71 -10.042 0.071 5.299 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.961 0.759 2.530 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.916 -0.432 4.420 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.558 0.349 2.988 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.085 -2.114 2.980 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.434 -2.116 0.559 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.714 -0.945 0.958 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.043 -0.386 0.708 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.902 -2.933 2.186 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.204 -1.344 2.582 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.913 -2.351 3.867 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.904 3.089 2.374 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.408 4.434 2.323 1.00 25.83 C ATOM 1152 C ARG A 72 -12.827 4.388 1.818 1.00 27.74 C ATOM 1153 O ARG A 72 -13.146 3.870 0.741 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.429 5.254 1.597 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.781 6.731 1.411 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.746 7.552 0.683 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.343 8.796 0.333 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.795 9.764 -0.428 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.589 9.537 -0.990 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.392 10.898 -0.619 1.00 35.02 N ATOM 0 H ARG A 72 -10.416 2.790 1.530 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.500 4.931 3.289 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.476 5.194 2.123 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.278 4.813 0.612 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.723 6.798 0.866 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.948 7.174 2.393 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.872 7.712 1.315 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.402 7.029 -0.209 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.280 8.973 0.695 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.113 8.648 -0.835 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.154 10.254 -1.570 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.300 11.075 -0.189 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.954 11.613 -1.200 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.726 5.005 2.640 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.135 5.123 2.322 1.00 30.76 C ATOM 1176 C LEU A 73 -15.360 6.596 2.008 1.00 32.18 C ATOM 1177 O LEU A 73 -14.485 7.455 2.136 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.099 4.751 3.525 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.175 3.255 3.894 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.971 2.439 4.290 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.243 3.073 4.947 1.00 29.11 C ATOM 0 H LEU A 73 -13.470 5.425 3.533 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.364 4.436 1.507 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.778 5.306 4.406 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.103 5.096 3.279 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.368 2.833 2.908 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.279 1.415 4.502 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.248 2.438 3.475 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.514 2.872 5.180 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.310 2.020 5.219 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.988 3.660 5.829 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -18.203 3.407 4.553 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.545 6.949 1.416 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.849 8.288 1.020 1.00 35.33 C ATOM 1195 C ARG A 74 -16.997 9.193 2.252 1.00 36.22 C ATOM 1196 O ARG A 74 -16.414 10.269 2.240 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.105 8.412 0.166 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.988 7.661 -1.144 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.172 8.407 -2.180 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.279 7.594 -3.473 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.345 7.736 -4.451 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.710 8.885 -4.701 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.020 6.678 -5.239 1.00 41.93 N ATOM 0 H ARG A 74 -17.291 6.282 1.217 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.008 8.605 0.403 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.960 8.032 0.725 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.300 9.465 -0.038 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.531 6.689 -0.960 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.986 7.474 -1.540 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.554 9.418 -2.323 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.133 8.501 -1.864 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.054 6.943 -3.601 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.918 9.714 -4.144 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.018 8.933 -5.449 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.477 5.777 -5.097 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.319 6.785 -5.973 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.580 8.702 3.379 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.642 9.393 4.627 1.00 36.07 C ATOM 1219 C GLY A 75 -16.504 9.146 5.484 1.00 36.16 C ATOM 1220 O GLY A 75 -16.373 9.673 6.585 1.00 36.26 O ATOM 0 H GLY A 75 -18.023 7.784 3.410 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.717 10.464 4.436 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.551 9.098 5.151 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.630 8.225 5.058 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.531 7.810 5.912 1.00 36.19 C ATOM 1226 C GLY A 76 -13.158 7.748 5.237 1.00 36.20 C ATOM 1227 O GLY A 76 -12.663 8.813 4.915 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.539 6.650 5.105 1.00 0.00 O ATOM 0 H GLY A 76 -15.667 7.767 4.147 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.471 8.497 6.756 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.761 6.825 6.318 1.00 36.19 H new TER 1232 GLY A 76