USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 22 THR OG1 : rot 180:sc= 0.262 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.273 K(o=0.54,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 130:sc= 1.68 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.11 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.783 (180deg=-1.97) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.014) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.802 USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.31 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.03 K(o=-1,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0259 K(o=-0.026,f=-3.5!) USER MOD Single : A 41 ASN : amide:sc= -0.345 K(o=-0.34,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.0447 (180deg=-0.351) USER MOD Single : A 49 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.1) USER MOD Single : A 55 THR OG1 : rot -63:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 168:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.23) USER MOD Single : A 62 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 96:sc= 1.31 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 14.675 -5.093 -0.702 1.00 0.00 N ATOM 2 CA MET A 1 13.778 -4.214 0.053 1.00 0.00 C ATOM 3 C MET A 1 12.372 -4.759 -0.080 1.00 0.00 C ATOM 4 O MET A 1 11.817 -4.734 -1.173 1.00 0.00 O ATOM 5 CB MET A 1 13.880 -2.751 -0.389 1.00 0.00 C ATOM 6 CG MET A 1 12.890 -1.882 0.391 1.00 0.00 C ATOM 7 SD MET A 1 13.035 -0.117 0.047 1.00 0.00 S ATOM 8 CE MET A 1 12.157 0.548 1.478 1.00 0.00 C ATOM 0 H1 MET A 1 15.651 -4.740 -0.627 1.00 0.00 H new ATOM 0 H2 MET A 1 14.624 -6.057 -0.314 1.00 0.00 H new ATOM 0 H3 MET A 1 14.388 -5.107 -1.701 1.00 0.00 H new ATOM 0 HA MET A 1 14.072 -4.208 1.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.895 -2.387 -0.230 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.677 -2.673 -1.457 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.876 -2.205 0.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.039 -2.047 1.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.885 1.586 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.255 -0.037 1.655 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.801 0.497 2.356 1.00 0.00 H new ATOM 18 N GLN A 2 11.804 -5.302 0.993 1.00 0.00 N ATOM 19 CA GLN A 2 10.448 -5.824 0.968 1.00 0.00 C ATOM 20 C GLN A 2 9.615 -5.077 1.998 1.00 0.00 C ATOM 21 O GLN A 2 10.171 -4.445 2.894 1.00 0.00 O ATOM 22 CB GLN A 2 10.426 -7.346 1.177 1.00 0.00 C ATOM 23 CG GLN A 2 11.081 -7.818 2.483 1.00 0.00 C ATOM 24 CD GLN A 2 10.620 -9.213 2.901 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.464 -10.119 2.084 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.395 -9.427 4.188 1.00 0.00 N ATOM 0 H GLN A 2 12.269 -5.391 1.896 1.00 0.00 H new ATOM 0 HA GLN A 2 10.009 -5.658 -0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.391 -7.688 1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.933 -7.823 0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.164 -7.818 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.849 -7.109 3.278 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.526 -8.672 4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.091 -10.347 4.506 1.00 0.00 H new ATOM 35 N ILE A 3 8.300 -5.059 1.820 1.00 0.00 N ATOM 36 CA ILE A 3 7.355 -4.436 2.738 1.00 0.00 C ATOM 37 C ILE A 3 6.220 -5.436 2.976 1.00 0.00 C ATOM 38 O ILE A 3 6.108 -6.450 2.272 1.00 0.00 O ATOM 39 CB ILE A 3 6.879 -3.047 2.258 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.199 -3.118 0.874 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.048 -2.041 2.288 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.504 -1.811 0.480 1.00 0.00 C ATOM 0 H ILE A 3 7.850 -5.489 1.012 1.00 0.00 H new ATOM 0 HA ILE A 3 7.840 -4.216 3.689 1.00 0.00 H new ATOM 0 HB ILE A 3 6.116 -2.689 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.946 -3.367 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.467 -3.926 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.698 -1.066 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.428 -1.955 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.845 -2.390 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.045 -1.925 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.735 -1.572 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.237 -1.005 0.447 1.00 0.00 H new ATOM 54 N PHE A 4 5.359 -5.151 3.942 1.00 0.00 N ATOM 55 CA PHE A 4 4.211 -5.953 4.319 1.00 0.00 C ATOM 56 C PHE A 4 2.972 -5.070 4.257 1.00 0.00 C ATOM 57 O PHE A 4 3.064 -3.855 4.454 1.00 0.00 O ATOM 58 CB PHE A 4 4.359 -6.497 5.748 1.00 0.00 C ATOM 59 CG PHE A 4 5.517 -7.440 5.995 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.563 -8.685 5.340 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.517 -7.101 6.928 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.608 -9.583 5.611 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.558 -8.005 7.203 1.00 0.00 C ATOM 64 CZ PHE A 4 7.605 -9.245 6.541 1.00 0.00 C ATOM 0 H PHE A 4 5.450 -4.310 4.512 1.00 0.00 H new ATOM 0 HA PHE A 4 4.130 -6.798 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.458 -5.650 6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.436 -7.013 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.794 -8.950 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.484 -6.146 7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.645 -10.536 5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.321 -7.747 7.922 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.408 -9.937 6.748 1.00 0.00 H new ATOM 74 N VAL A 5 1.809 -5.665 4.010 1.00 0.00 N ATOM 75 CA VAL A 5 0.549 -4.937 3.955 1.00 0.00 C ATOM 76 C VAL A 5 -0.495 -5.780 4.670 1.00 0.00 C ATOM 77 O VAL A 5 -0.666 -6.951 4.331 1.00 0.00 O ATOM 78 CB VAL A 5 0.128 -4.618 2.505 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.161 -3.786 2.478 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.195 -3.823 1.749 1.00 0.00 C ATOM 0 H VAL A 5 1.715 -6.667 3.842 1.00 0.00 H new ATOM 0 HA VAL A 5 0.656 -3.970 4.447 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.019 -5.584 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.436 -3.575 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.964 -4.343 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.000 -2.848 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.850 -3.624 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.377 -2.879 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.120 -4.399 1.712 1.00 0.00 H new ATOM 90 N LYS A 6 -1.170 -5.208 5.665 1.00 0.00 N ATOM 91 CA LYS A 6 -2.224 -5.881 6.409 1.00 0.00 C ATOM 92 C LYS A 6 -3.498 -5.538 5.639 1.00 0.00 C ATOM 93 O LYS A 6 -3.825 -4.355 5.499 1.00 0.00 O ATOM 94 CB LYS A 6 -2.263 -5.385 7.865 1.00 0.00 C ATOM 95 CG LYS A 6 -3.305 -6.120 8.730 1.00 0.00 C ATOM 96 CD LYS A 6 -3.058 -7.626 8.939 1.00 0.00 C ATOM 97 CE LYS A 6 -1.659 -8.023 9.430 1.00 0.00 C ATOM 98 NZ LYS A 6 -1.359 -7.568 10.803 1.00 0.00 N ATOM 0 H LYS A 6 -0.996 -4.253 5.978 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.080 -6.959 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.276 -5.511 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.482 -4.317 7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.344 -5.638 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.286 -5.992 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.790 -7.997 9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.248 -8.138 7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.563 -9.108 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.914 -7.610 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.400 -7.871 11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.418 -6.531 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.047 -7.982 11.464 1.00 0.00 H new ATOM 112 N THR A 7 -4.163 -6.538 5.072 1.00 0.00 N ATOM 113 CA THR A 7 -5.379 -6.319 4.311 1.00 0.00 C ATOM 114 C THR A 7 -6.531 -5.968 5.245 1.00 0.00 C ATOM 115 O THR A 7 -6.474 -6.212 6.455 1.00 0.00 O ATOM 116 CB THR A 7 -5.739 -7.577 3.499 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.095 -8.637 4.355 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.621 -8.048 2.571 1.00 0.00 C ATOM 0 H THR A 7 -3.874 -7.515 5.128 1.00 0.00 H new ATOM 0 HA THR A 7 -5.208 -5.489 3.625 1.00 0.00 H new ATOM 0 HB THR A 7 -6.584 -7.288 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.947 -9.023 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.946 -8.938 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.383 -7.259 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.735 -8.284 3.160 1.00 0.00 H new ATOM 126 N LEU A 8 -7.624 -5.480 4.655 1.00 0.00 N ATOM 127 CA LEU A 8 -8.836 -5.123 5.384 1.00 0.00 C ATOM 128 C LEU A 8 -9.522 -6.372 5.970 1.00 0.00 C ATOM 129 O LEU A 8 -10.441 -6.244 6.775 1.00 0.00 O ATOM 130 CB LEU A 8 -9.786 -4.322 4.472 1.00 0.00 C ATOM 131 CG LEU A 8 -10.781 -5.134 3.608 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.733 -4.158 2.923 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.156 -5.998 2.507 1.00 0.00 C ATOM 0 H LEU A 8 -7.690 -5.321 3.650 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.563 -4.488 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.360 -3.639 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.179 -3.710 3.805 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.268 -5.819 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.443 -4.712 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.274 -3.588 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.163 -3.476 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.943 -6.522 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.601 -5.363 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.478 -6.725 2.955 1.00 0.00 H new ATOM 145 N THR A 9 -9.094 -7.564 5.544 1.00 0.00 N ATOM 146 CA THR A 9 -9.573 -8.877 5.947 1.00 0.00 C ATOM 147 C THR A 9 -8.698 -9.505 7.047 1.00 0.00 C ATOM 148 O THR A 9 -9.090 -10.520 7.631 1.00 0.00 O ATOM 149 CB THR A 9 -9.648 -9.773 4.695 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.583 -9.546 3.778 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.965 -9.562 3.943 1.00 0.00 C ATOM 0 H THR A 9 -8.345 -7.634 4.855 1.00 0.00 H new ATOM 0 HA THR A 9 -10.566 -8.776 6.385 1.00 0.00 H new ATOM 0 HB THR A 9 -9.574 -10.794 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.683 -10.142 3.007 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.990 -10.207 3.065 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.801 -9.808 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.043 -8.521 3.631 1.00 0.00 H new ATOM 159 N GLY A 10 -7.510 -8.950 7.317 1.00 0.00 N ATOM 160 CA GLY A 10 -6.568 -9.401 8.331 1.00 0.00 C ATOM 161 C GLY A 10 -5.438 -10.270 7.788 1.00 0.00 C ATOM 162 O GLY A 10 -4.674 -10.818 8.586 1.00 0.00 O ATOM 0 H GLY A 10 -7.170 -8.136 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.137 -8.530 8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.110 -9.962 9.092 1.00 0.00 H new ATOM 166 N LYS A 11 -5.325 -10.433 6.466 1.00 0.00 N ATOM 167 CA LYS A 11 -4.252 -11.218 5.864 1.00 0.00 C ATOM 168 C LYS A 11 -3.032 -10.315 5.763 1.00 0.00 C ATOM 169 O LYS A 11 -3.163 -9.091 5.800 1.00 0.00 O ATOM 170 CB LYS A 11 -4.627 -11.699 4.444 1.00 0.00 C ATOM 171 CG LYS A 11 -5.205 -13.121 4.394 1.00 0.00 C ATOM 172 CD LYS A 11 -4.487 -13.994 3.352 1.00 0.00 C ATOM 173 CE LYS A 11 -3.068 -14.375 3.793 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.411 -15.281 2.831 1.00 0.00 N ATOM 0 H LYS A 11 -5.972 -10.026 5.790 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.063 -12.098 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.355 -11.008 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.740 -11.657 3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.118 -13.583 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.268 -13.073 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.067 -14.900 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.439 -13.459 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.469 -13.471 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.109 -14.854 4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.455 -15.512 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.967 -16.155 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.347 -14.815 1.903 1.00 0.00 H new ATOM 188 N THR A 12 -1.865 -10.897 5.522 1.00 0.00 N ATOM 189 CA THR A 12 -0.641 -10.140 5.383 1.00 0.00 C ATOM 190 C THR A 12 -0.072 -10.490 4.017 1.00 0.00 C ATOM 191 O THR A 12 -0.022 -11.662 3.636 1.00 0.00 O ATOM 192 CB THR A 12 0.299 -10.439 6.558 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.405 -10.189 7.759 1.00 0.00 O ATOM 194 CG2 THR A 12 1.549 -9.552 6.525 1.00 0.00 C ATOM 0 H THR A 12 -1.746 -11.905 5.419 1.00 0.00 H new ATOM 0 HA THR A 12 -0.800 -9.063 5.424 1.00 0.00 H new ATOM 0 HB THR A 12 0.622 -11.478 6.491 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.178 -10.376 8.525 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.189 -9.794 7.373 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.094 -9.726 5.597 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.253 -8.504 6.581 1.00 0.00 H new ATOM 202 N ILE A 13 0.312 -9.456 3.277 1.00 0.00 N ATOM 203 CA ILE A 13 0.902 -9.536 1.953 1.00 0.00 C ATOM 204 C ILE A 13 2.379 -9.189 2.143 1.00 0.00 C ATOM 205 O ILE A 13 2.720 -8.498 3.106 1.00 0.00 O ATOM 206 CB ILE A 13 0.216 -8.534 0.985 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.326 -8.479 1.100 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.609 -8.792 -0.483 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.026 -9.808 0.806 1.00 0.00 C ATOM 0 H ILE A 13 0.214 -8.494 3.603 1.00 0.00 H new ATOM 0 HA ILE A 13 0.776 -10.525 1.513 1.00 0.00 H new ATOM 0 HB ILE A 13 0.591 -7.562 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.593 -8.156 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.703 -7.723 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.107 -8.069 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.688 -8.689 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.310 -9.801 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.104 -9.682 0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.793 -10.125 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.680 -10.565 1.510 1.00 0.00 H new ATOM 221 N THR A 14 3.237 -9.652 1.241 1.00 0.00 N ATOM 222 CA THR A 14 4.671 -9.410 1.217 1.00 0.00 C ATOM 223 C THR A 14 4.949 -9.021 -0.231 1.00 0.00 C ATOM 224 O THR A 14 4.383 -9.615 -1.149 1.00 0.00 O ATOM 225 CB THR A 14 5.478 -10.630 1.677 1.00 0.00 C ATOM 226 OG1 THR A 14 4.984 -11.095 2.915 1.00 0.00 O ATOM 227 CG2 THR A 14 6.956 -10.282 1.887 1.00 0.00 C ATOM 0 H THR A 14 2.931 -10.239 0.465 1.00 0.00 H new ATOM 0 HA THR A 14 4.977 -8.631 1.915 1.00 0.00 H new ATOM 0 HB THR A 14 5.382 -11.386 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.357 -10.552 3.641 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.496 -11.171 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.382 -9.921 0.951 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.043 -9.506 2.647 1.00 0.00 H new ATOM 235 N LEU A 15 5.662 -7.915 -0.435 1.00 0.00 N ATOM 236 CA LEU A 15 6.006 -7.411 -1.754 1.00 0.00 C ATOM 237 C LEU A 15 7.432 -6.909 -1.719 1.00 0.00 C ATOM 238 O LEU A 15 7.882 -6.425 -0.680 1.00 0.00 O ATOM 239 CB LEU A 15 5.119 -6.219 -2.154 1.00 0.00 C ATOM 240 CG LEU A 15 3.649 -6.535 -2.465 1.00 0.00 C ATOM 241 CD1 LEU A 15 2.947 -5.212 -2.770 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.501 -7.504 -3.642 1.00 0.00 C ATOM 0 H LEU A 15 6.020 -7.338 0.326 1.00 0.00 H new ATOM 0 HA LEU A 15 5.867 -8.222 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.148 -5.486 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.559 -5.745 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 15 3.198 -7.028 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.898 -5.401 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.019 -4.554 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.423 -4.737 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.444 -7.697 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.948 -7.064 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.006 -8.441 -3.407 1.00 0.00 H new ATOM 254 N GLU A 16 8.092 -6.989 -2.862 1.00 0.00 N ATOM 255 CA GLU A 16 9.450 -6.553 -3.109 1.00 0.00 C ATOM 256 C GLU A 16 9.289 -5.204 -3.807 1.00 0.00 C ATOM 257 O GLU A 16 8.610 -5.120 -4.836 1.00 0.00 O ATOM 258 CB GLU A 16 10.156 -7.600 -3.960 1.00 0.00 C ATOM 259 CG GLU A 16 11.575 -7.170 -4.320 1.00 0.00 C ATOM 260 CD GLU A 16 12.361 -8.327 -4.932 1.00 0.00 C ATOM 261 OE1 GLU A 16 13.543 -8.503 -4.557 1.00 0.00 O ATOM 262 OE2 GLU A 16 11.808 -9.060 -5.790 1.00 0.00 O ATOM 0 H GLU A 16 7.661 -7.388 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 16 10.063 -6.441 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.188 -8.546 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.585 -7.773 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.539 -6.338 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.087 -6.810 -3.427 1.00 0.00 H new ATOM 269 N VAL A 17 9.804 -4.149 -3.186 1.00 0.00 N ATOM 270 CA VAL A 17 9.725 -2.776 -3.665 1.00 0.00 C ATOM 271 C VAL A 17 11.108 -2.120 -3.601 1.00 0.00 C ATOM 272 O VAL A 17 12.114 -2.789 -3.352 1.00 0.00 O ATOM 273 CB VAL A 17 8.653 -2.028 -2.832 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.274 -2.711 -2.892 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.050 -1.887 -1.351 1.00 0.00 C ATOM 0 H VAL A 17 10.307 -4.231 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 17 9.419 -2.739 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 17 8.589 -1.040 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.561 -2.146 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.930 -2.746 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.353 -3.726 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.265 -1.356 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.184 -2.877 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.983 -1.328 -1.276 1.00 0.00 H new ATOM 285 N GLU A 18 11.193 -0.810 -3.822 1.00 0.00 N ATOM 286 CA GLU A 18 12.441 -0.061 -3.768 1.00 0.00 C ATOM 287 C GLU A 18 12.176 1.363 -3.263 1.00 0.00 C ATOM 288 O GLU A 18 11.042 1.838 -3.349 1.00 0.00 O ATOM 289 CB GLU A 18 13.182 -0.165 -5.110 1.00 0.00 C ATOM 290 CG GLU A 18 12.393 0.157 -6.388 1.00 0.00 C ATOM 291 CD GLU A 18 13.154 -0.316 -7.629 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.510 0.528 -8.479 1.00 0.00 O ATOM 293 OE2 GLU A 18 13.406 -1.540 -7.759 1.00 0.00 O ATOM 0 H GLU A 18 10.383 -0.233 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 18 13.127 -0.495 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.043 0.502 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.569 -1.180 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.416 -0.325 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.216 1.231 -6.451 1.00 0.00 H new ATOM 300 N PRO A 19 13.182 2.087 -2.742 1.00 0.00 N ATOM 301 CA PRO A 19 13.001 3.443 -2.221 1.00 0.00 C ATOM 302 C PRO A 19 12.414 4.443 -3.220 1.00 0.00 C ATOM 303 O PRO A 19 11.750 5.393 -2.803 1.00 0.00 O ATOM 304 CB PRO A 19 14.387 3.903 -1.760 1.00 0.00 C ATOM 305 CG PRO A 19 15.097 2.586 -1.473 1.00 0.00 C ATOM 306 CD PRO A 19 14.563 1.669 -2.565 1.00 0.00 C ATOM 0 HA PRO A 19 12.267 3.412 -1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.899 4.480 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.330 4.534 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.181 2.691 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.862 2.209 -0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.132 1.776 -3.488 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.627 0.621 -2.271 1.00 0.00 H new ATOM 314 N SER A 20 12.563 4.191 -4.519 1.00 0.00 N ATOM 315 CA SER A 20 12.075 5.067 -5.571 1.00 0.00 C ATOM 316 C SER A 20 10.982 4.382 -6.397 1.00 0.00 C ATOM 317 O SER A 20 10.853 4.631 -7.597 1.00 0.00 O ATOM 318 CB SER A 20 13.270 5.508 -6.416 1.00 0.00 C ATOM 319 OG SER A 20 14.258 6.153 -5.630 1.00 0.00 O ATOM 0 H SER A 20 13.034 3.358 -4.871 1.00 0.00 H new ATOM 0 HA SER A 20 11.605 5.952 -5.143 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.707 4.640 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.931 6.184 -7.201 1.00 0.00 H new ATOM 0 HG SER A 20 15.008 6.420 -6.202 1.00 0.00 H new ATOM 325 N ASP A 21 10.192 3.523 -5.754 1.00 0.00 N ATOM 326 CA ASP A 21 9.067 2.792 -6.334 1.00 0.00 C ATOM 327 C ASP A 21 7.853 3.687 -6.051 1.00 0.00 C ATOM 328 O ASP A 21 7.695 4.139 -4.904 1.00 0.00 O ATOM 329 CB ASP A 21 8.969 1.447 -5.598 1.00 0.00 C ATOM 330 CG ASP A 21 8.259 0.326 -6.334 1.00 0.00 C ATOM 331 OD1 ASP A 21 8.482 -0.846 -5.949 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.484 0.569 -7.281 1.00 0.00 O ATOM 0 H ASP A 21 10.326 3.308 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 21 9.153 2.583 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.979 1.113 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.456 1.612 -4.651 1.00 0.00 H new ATOM 337 N THR A 22 7.016 4.004 -7.044 1.00 0.00 N ATOM 338 CA THR A 22 5.862 4.875 -6.813 1.00 0.00 C ATOM 339 C THR A 22 4.721 4.134 -6.121 1.00 0.00 C ATOM 340 O THR A 22 4.620 2.905 -6.175 1.00 0.00 O ATOM 341 CB THR A 22 5.340 5.477 -8.131 1.00 0.00 C ATOM 342 OG1 THR A 22 5.075 4.462 -9.082 1.00 0.00 O ATOM 343 CG2 THR A 22 6.279 6.537 -8.710 1.00 0.00 C ATOM 0 H THR A 22 7.115 3.674 -8.004 1.00 0.00 H new ATOM 0 HA THR A 22 6.209 5.677 -6.161 1.00 0.00 H new ATOM 0 HB THR A 22 4.405 5.984 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.743 4.868 -9.910 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.860 6.926 -9.638 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.394 7.351 -7.994 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.253 6.090 -8.911 1.00 0.00 H new ATOM 351 N ILE A 23 3.815 4.885 -5.490 1.00 0.00 N ATOM 352 CA ILE A 23 2.658 4.284 -4.831 1.00 0.00 C ATOM 353 C ILE A 23 1.801 3.605 -5.901 1.00 0.00 C ATOM 354 O ILE A 23 1.173 2.597 -5.606 1.00 0.00 O ATOM 355 CB ILE A 23 1.868 5.334 -4.029 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.682 5.883 -2.842 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.498 4.822 -3.541 1.00 0.00 C ATOM 358 CD1 ILE A 23 2.899 4.895 -1.693 1.00 0.00 C ATOM 0 H ILE A 23 3.861 5.902 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 23 2.982 3.537 -4.107 1.00 0.00 H new ATOM 0 HB ILE A 23 1.679 6.148 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.655 6.210 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.176 6.766 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.007 5.610 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.111 4.538 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.642 3.956 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.482 5.374 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.934 4.585 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.436 4.021 -2.061 1.00 0.00 H new ATOM 370 N GLU A 24 1.793 4.123 -7.133 1.00 0.00 N ATOM 371 CA GLU A 24 1.029 3.568 -8.240 1.00 0.00 C ATOM 372 C GLU A 24 1.403 2.099 -8.469 1.00 0.00 C ATOM 373 O GLU A 24 0.539 1.289 -8.807 1.00 0.00 O ATOM 374 CB GLU A 24 1.267 4.442 -9.478 1.00 0.00 C ATOM 375 CG GLU A 24 0.521 3.924 -10.711 1.00 0.00 C ATOM 376 CD GLU A 24 0.238 5.052 -11.698 1.00 0.00 C ATOM 377 OE1 GLU A 24 -0.958 5.380 -11.877 1.00 0.00 O ATOM 378 OE2 GLU A 24 1.190 5.647 -12.258 1.00 0.00 O ATOM 0 H GLU A 24 2.328 4.953 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.037 3.576 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.948 5.462 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.335 4.480 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.113 3.150 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.417 3.462 -10.404 1.00 0.00 H new ATOM 385 N ASN A 25 2.691 1.768 -8.349 1.00 0.00 N ATOM 386 CA ASN A 25 3.190 0.407 -8.507 1.00 0.00 C ATOM 387 C ASN A 25 2.827 -0.411 -7.271 1.00 0.00 C ATOM 388 O ASN A 25 2.156 -1.430 -7.366 1.00 0.00 O ATOM 389 CB ASN A 25 4.714 0.381 -8.661 1.00 0.00 C ATOM 390 CG ASN A 25 5.199 0.683 -10.062 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.766 -0.176 -10.729 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.033 1.904 -10.523 1.00 0.00 N ATOM 0 H ASN A 25 3.422 2.447 -8.137 1.00 0.00 H new ATOM 0 HA ASN A 25 2.735 -0.011 -9.405 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.150 1.105 -7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.082 -0.601 -8.365 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.379 2.150 -11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.559 2.604 -9.953 1.00 0.00 H new ATOM 399 N VAL A 26 3.230 0.068 -6.094 1.00 0.00 N ATOM 400 CA VAL A 26 3.019 -0.592 -4.809 1.00 0.00 C ATOM 401 C VAL A 26 1.547 -0.940 -4.546 1.00 0.00 C ATOM 402 O VAL A 26 1.231 -2.063 -4.144 1.00 0.00 O ATOM 403 CB VAL A 26 3.622 0.315 -3.712 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.350 -0.219 -2.304 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.143 0.464 -3.864 1.00 0.00 C ATOM 0 H VAL A 26 3.728 0.954 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 26 3.524 -1.558 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 26 3.135 1.282 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.793 0.452 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.274 -0.279 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.789 -1.211 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.526 1.109 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.614 -0.517 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.370 0.905 -4.834 1.00 0.00 H new ATOM 415 N LYS A 27 0.631 -0.002 -4.790 1.00 0.00 N ATOM 416 CA LYS A 27 -0.797 -0.192 -4.569 1.00 0.00 C ATOM 417 C LYS A 27 -1.414 -1.082 -5.662 1.00 0.00 C ATOM 418 O LYS A 27 -2.524 -1.585 -5.465 1.00 0.00 O ATOM 419 CB LYS A 27 -1.431 1.201 -4.411 1.00 0.00 C ATOM 420 CG LYS A 27 -2.929 1.159 -4.105 1.00 0.00 C ATOM 421 CD LYS A 27 -3.569 2.540 -3.926 1.00 0.00 C ATOM 422 CE LYS A 27 -3.617 3.269 -5.272 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.500 4.451 -5.238 1.00 0.00 N ATOM 0 H LYS A 27 0.867 0.922 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.999 -0.745 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.920 1.735 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.271 1.770 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.440 0.636 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.088 0.576 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.576 2.434 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.997 3.125 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.610 3.579 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.964 2.581 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.500 4.911 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.468 4.155 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.155 5.121 -4.521 1.00 0.00 H new ATOM 437 N ALA A 28 -0.725 -1.295 -6.789 1.00 0.00 N ATOM 438 CA ALA A 28 -1.181 -2.158 -7.870 1.00 0.00 C ATOM 439 C ALA A 28 -0.673 -3.577 -7.600 1.00 0.00 C ATOM 440 O ALA A 28 -1.441 -4.524 -7.724 1.00 0.00 O ATOM 441 CB ALA A 28 -0.715 -1.643 -9.228 1.00 0.00 C ATOM 0 H ALA A 28 0.180 -0.862 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.271 -2.162 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.072 -2.310 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.113 -0.642 -9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.374 -1.608 -9.250 1.00 0.00 H new ATOM 447 N LYS A 29 0.580 -3.741 -7.148 1.00 0.00 N ATOM 448 CA LYS A 29 1.180 -5.041 -6.835 1.00 0.00 C ATOM 449 C LYS A 29 0.302 -5.815 -5.858 1.00 0.00 C ATOM 450 O LYS A 29 0.139 -7.024 -6.011 1.00 0.00 O ATOM 451 CB LYS A 29 2.588 -4.879 -6.242 1.00 0.00 C ATOM 452 CG LYS A 29 3.724 -4.636 -7.246 1.00 0.00 C ATOM 453 CD LYS A 29 5.075 -4.728 -6.510 1.00 0.00 C ATOM 454 CE LYS A 29 6.267 -4.342 -7.391 1.00 0.00 C ATOM 455 NZ LYS A 29 6.573 -5.341 -8.433 1.00 0.00 N ATOM 0 H LYS A 29 1.213 -2.958 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 29 1.259 -5.598 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.569 -4.047 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.823 -5.776 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.681 -5.373 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.614 -3.655 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.051 -4.077 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.215 -5.746 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.062 -3.383 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.146 -4.204 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.388 -5.020 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.798 -6.252 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.749 -5.456 -9.056 1.00 0.00 H new ATOM 469 N ILE A 30 -0.278 -5.158 -4.848 1.00 0.00 N ATOM 470 CA ILE A 30 -1.146 -5.852 -3.895 1.00 0.00 C ATOM 471 C ILE A 30 -2.359 -6.483 -4.605 1.00 0.00 C ATOM 472 O ILE A 30 -2.867 -7.477 -4.105 1.00 0.00 O ATOM 473 CB ILE A 30 -1.558 -4.956 -2.707 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.176 -3.622 -3.171 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.358 -4.704 -1.779 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.759 -2.767 -2.042 1.00 0.00 C ATOM 0 H ILE A 30 -0.164 -4.160 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.564 -6.666 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.328 -5.491 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.412 -3.043 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.964 -3.833 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.668 -4.071 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.010 -5.655 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.436 -4.208 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.172 -1.848 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.548 -3.323 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.972 -2.521 -1.329 1.00 0.00 H new ATOM 488 N GLN A 31 -2.816 -5.945 -5.743 1.00 0.00 N ATOM 489 CA GLN A 31 -3.947 -6.458 -6.524 1.00 0.00 C ATOM 490 C GLN A 31 -3.521 -7.642 -7.399 1.00 0.00 C ATOM 491 O GLN A 31 -4.341 -8.409 -7.899 1.00 0.00 O ATOM 492 CB GLN A 31 -4.497 -5.381 -7.467 1.00 0.00 C ATOM 493 CG GLN A 31 -4.658 -3.996 -6.832 1.00 0.00 C ATOM 494 CD GLN A 31 -5.312 -3.003 -7.785 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.824 -1.893 -7.992 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.428 -3.360 -8.397 1.00 0.00 N ATOM 0 H GLN A 31 -2.395 -5.114 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.706 -6.765 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.833 -5.296 -8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.466 -5.708 -7.844 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.260 -4.080 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.680 -3.619 -6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.832 -4.281 -8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.885 -2.715 -9.041 1.00 0.00 H new ATOM 505 N ASP A 32 -2.220 -7.756 -7.651 1.00 0.00 N ATOM 506 CA ASP A 32 -1.613 -8.818 -8.439 1.00 0.00 C ATOM 507 C ASP A 32 -1.276 -9.998 -7.517 1.00 0.00 C ATOM 508 O ASP A 32 -1.227 -11.155 -7.943 1.00 0.00 O ATOM 509 CB ASP A 32 -0.358 -8.244 -9.103 1.00 0.00 C ATOM 510 CG ASP A 32 0.216 -9.198 -10.139 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.390 -9.277 -11.235 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.260 -9.819 -9.839 1.00 0.00 O ATOM 0 H ASP A 32 -1.537 -7.086 -7.298 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.290 -9.184 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.600 -7.293 -9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.394 -8.037 -8.342 1.00 0.00 H new ATOM 517 N LYS A 33 -1.098 -9.713 -6.223 1.00 0.00 N ATOM 518 CA LYS A 33 -0.763 -10.664 -5.173 1.00 0.00 C ATOM 519 C LYS A 33 -1.992 -11.101 -4.367 1.00 0.00 C ATOM 520 O LYS A 33 -1.929 -12.156 -3.730 1.00 0.00 O ATOM 521 CB LYS A 33 0.316 -10.002 -4.294 1.00 0.00 C ATOM 522 CG LYS A 33 1.188 -10.960 -3.473 1.00 0.00 C ATOM 523 CD LYS A 33 1.984 -11.949 -4.337 1.00 0.00 C ATOM 524 CE LYS A 33 3.156 -12.485 -3.514 1.00 0.00 C ATOM 525 NZ LYS A 33 3.982 -13.479 -4.226 1.00 0.00 N ATOM 0 H LYS A 33 -1.190 -8.761 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.379 -11.587 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.967 -9.408 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.174 -9.310 -3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.882 -10.379 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.553 -11.519 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.343 -12.769 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.349 -11.455 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.789 -11.650 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.769 -12.936 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.755 -13.796 -3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.393 -14.295 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.381 -13.048 -5.084 1.00 0.00 H new ATOM 539 N GLU A 34 -3.091 -10.345 -4.370 1.00 0.00 N ATOM 540 CA GLU A 34 -4.345 -10.619 -3.671 1.00 0.00 C ATOM 541 C GLU A 34 -5.466 -10.107 -4.587 1.00 0.00 C ATOM 542 O GLU A 34 -5.281 -9.097 -5.260 1.00 0.00 O ATOM 543 CB GLU A 34 -4.347 -9.862 -2.325 1.00 0.00 C ATOM 544 CG GLU A 34 -5.359 -10.379 -1.283 1.00 0.00 C ATOM 545 CD GLU A 34 -4.874 -11.587 -0.465 1.00 0.00 C ATOM 546 OE1 GLU A 34 -5.535 -11.920 0.544 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.842 -12.201 -0.830 1.00 0.00 O ATOM 0 H GLU A 34 -3.130 -9.471 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.478 -11.680 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.347 -9.916 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.555 -8.810 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.602 -9.567 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.282 -10.651 -1.796 1.00 0.00 H new ATOM 554 N GLY A 35 -6.658 -10.702 -4.551 1.00 0.00 N ATOM 555 CA GLY A 35 -7.766 -10.289 -5.401 1.00 0.00 C ATOM 556 C GLY A 35 -8.505 -9.095 -4.823 1.00 0.00 C ATOM 557 O GLY A 35 -9.545 -9.290 -4.189 1.00 0.00 O ATOM 0 H GLY A 35 -6.879 -11.482 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.390 -10.038 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.459 -11.121 -5.524 1.00 0.00 H new ATOM 561 N ILE A 36 -8.007 -7.877 -5.036 1.00 0.00 N ATOM 562 CA ILE A 36 -8.613 -6.642 -4.541 1.00 0.00 C ATOM 563 C ILE A 36 -8.716 -5.611 -5.688 1.00 0.00 C ATOM 564 O ILE A 36 -7.688 -5.057 -6.089 1.00 0.00 O ATOM 565 CB ILE A 36 -7.863 -6.129 -3.282 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.319 -6.150 -3.415 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.302 -6.964 -2.061 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.566 -5.548 -2.226 1.00 0.00 C ATOM 0 H ILE A 36 -7.152 -7.719 -5.569 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.634 -6.830 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.134 -5.081 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.994 -7.182 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.038 -5.607 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.780 -6.611 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.377 -6.859 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.059 -8.013 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.493 -5.606 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.857 -4.505 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.811 -6.104 -1.321 1.00 0.00 H new ATOM 580 N PRO A 37 -9.926 -5.315 -6.213 1.00 0.00 N ATOM 581 CA PRO A 37 -10.135 -4.351 -7.298 1.00 0.00 C ATOM 582 C PRO A 37 -9.641 -2.932 -6.977 1.00 0.00 C ATOM 583 O PRO A 37 -9.576 -2.565 -5.799 1.00 0.00 O ATOM 584 CB PRO A 37 -11.656 -4.273 -7.481 1.00 0.00 C ATOM 585 CG PRO A 37 -12.192 -5.579 -6.925 1.00 0.00 C ATOM 586 CD PRO A 37 -11.195 -5.913 -5.822 1.00 0.00 C ATOM 0 HA PRO A 37 -9.578 -4.686 -8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.073 -3.418 -6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.920 -4.154 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.204 -5.467 -6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.228 -6.358 -7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.531 -5.517 -4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.095 -6.992 -5.704 1.00 0.00 H new ATOM 594 N PRO A 38 -9.315 -2.086 -7.974 1.00 0.00 N ATOM 595 CA PRO A 38 -8.879 -0.707 -7.752 1.00 0.00 C ATOM 596 C PRO A 38 -10.152 0.147 -7.661 1.00 0.00 C ATOM 597 O PRO A 38 -10.354 1.122 -8.387 1.00 0.00 O ATOM 598 CB PRO A 38 -8.002 -0.375 -8.961 1.00 0.00 C ATOM 599 CG PRO A 38 -8.591 -1.225 -10.087 1.00 0.00 C ATOM 600 CD PRO A 38 -9.338 -2.375 -9.401 1.00 0.00 C ATOM 0 HA PRO A 38 -8.307 -0.532 -6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.039 0.688 -9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.957 -0.624 -8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.266 -0.636 -10.708 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.806 -1.605 -10.741 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.362 -2.446 -9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.858 -3.331 -9.612 1.00 0.00 H new ATOM 608 N ASP A 39 -11.011 -0.222 -6.724 1.00 0.00 N ATOM 609 CA ASP A 39 -12.303 0.340 -6.386 1.00 0.00 C ATOM 610 C ASP A 39 -12.393 0.157 -4.884 1.00 0.00 C ATOM 611 O ASP A 39 -11.999 -0.897 -4.371 1.00 0.00 O ATOM 612 CB ASP A 39 -13.459 -0.453 -7.032 1.00 0.00 C ATOM 613 CG ASP A 39 -14.108 0.214 -8.240 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.573 -0.534 -9.132 1.00 0.00 O ATOM 615 OD2 ASP A 39 -14.251 1.456 -8.276 1.00 0.00 O ATOM 0 H ASP A 39 -10.792 -1.011 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.387 1.371 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.083 -1.430 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.226 -0.626 -6.277 1.00 0.00 H new ATOM 620 N GLN A 40 -12.865 1.191 -4.188 1.00 0.00 N ATOM 621 CA GLN A 40 -13.041 1.227 -2.744 1.00 0.00 C ATOM 622 C GLN A 40 -11.795 0.725 -1.991 1.00 0.00 C ATOM 623 O GLN A 40 -11.908 -0.138 -1.126 1.00 0.00 O ATOM 624 CB GLN A 40 -14.382 0.548 -2.347 1.00 0.00 C ATOM 625 CG GLN A 40 -14.512 -0.939 -2.742 1.00 0.00 C ATOM 626 CD GLN A 40 -15.733 -1.657 -2.179 1.00 0.00 C ATOM 627 OE1 GLN A 40 -16.003 -1.651 -0.986 1.00 0.00 O ATOM 628 NE2 GLN A 40 -16.490 -2.331 -3.024 1.00 0.00 N ATOM 0 H GLN A 40 -13.146 2.062 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.130 2.263 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -14.507 0.632 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -15.201 1.102 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.539 -1.008 -3.829 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.617 -1.466 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.264 -2.336 -4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.301 -2.847 -2.682 1.00 0.00 H new ATOM 637 N ASN A 41 -10.597 1.243 -2.299 1.00 0.00 N ATOM 638 CA ASN A 41 -9.352 0.846 -1.627 1.00 0.00 C ATOM 639 C ASN A 41 -8.403 2.047 -1.507 1.00 0.00 C ATOM 640 O ASN A 41 -8.448 2.938 -2.360 1.00 0.00 O ATOM 641 CB ASN A 41 -8.695 -0.310 -2.399 1.00 0.00 C ATOM 642 CG ASN A 41 -7.748 -1.130 -1.532 1.00 0.00 C ATOM 643 OD1 ASN A 41 -7.416 -0.792 -0.399 1.00 0.00 O ATOM 644 ND2 ASN A 41 -7.269 -2.252 -2.026 1.00 0.00 N ATOM 0 H ASN A 41 -10.464 1.950 -3.022 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.579 0.502 -0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.471 -0.962 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.146 0.092 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.634 -2.824 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.533 -2.550 -2.965 1.00 0.00 H new ATOM 651 N ARG A 42 -7.575 2.110 -0.456 1.00 0.00 N ATOM 652 CA ARG A 42 -6.612 3.184 -0.205 1.00 0.00 C ATOM 653 C ARG A 42 -5.467 2.652 0.654 1.00 0.00 C ATOM 654 O ARG A 42 -5.728 1.985 1.657 1.00 0.00 O ATOM 655 CB ARG A 42 -7.326 4.338 0.518 1.00 0.00 C ATOM 656 CG ARG A 42 -6.548 5.657 0.421 1.00 0.00 C ATOM 657 CD ARG A 42 -7.346 6.788 1.075 1.00 0.00 C ATOM 658 NE ARG A 42 -8.474 7.197 0.221 1.00 0.00 N ATOM 659 CZ ARG A 42 -9.307 8.213 0.462 1.00 0.00 C ATOM 660 NH1 ARG A 42 -9.231 8.880 1.610 1.00 0.00 N ATOM 661 NH2 ARG A 42 -10.224 8.542 -0.440 1.00 0.00 N ATOM 0 H ARG A 42 -7.559 1.389 0.266 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.204 3.547 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.319 4.473 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.464 4.076 1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.580 5.554 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.352 5.897 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.719 6.461 2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.693 7.642 1.256 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.633 6.657 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.536 8.616 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.868 9.656 1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.291 8.020 -1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.862 9.317 -0.259 1.00 0.00 H new ATOM 675 N LEU A 43 -4.222 2.976 0.298 1.00 0.00 N ATOM 676 CA LEU A 43 -3.009 2.554 1.000 1.00 0.00 C ATOM 677 C LEU A 43 -2.654 3.563 2.093 1.00 0.00 C ATOM 678 O LEU A 43 -2.670 4.767 1.836 1.00 0.00 O ATOM 679 CB LEU A 43 -1.878 2.405 -0.032 1.00 0.00 C ATOM 680 CG LEU A 43 -0.553 1.885 0.554 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.686 0.472 1.132 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.512 1.874 -0.546 1.00 0.00 C ATOM 0 H LEU A 43 -4.024 3.559 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.165 1.594 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.206 1.725 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.700 3.373 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.269 2.552 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.275 0.151 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.429 0.474 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.999 -0.215 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.453 1.507 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.190 1.222 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.652 2.886 -0.927 1.00 0.00 H new ATOM 694 N ILE A 44 -2.276 3.094 3.287 1.00 0.00 N ATOM 695 CA ILE A 44 -1.930 3.918 4.448 1.00 0.00 C ATOM 696 C ILE A 44 -0.634 3.423 5.111 1.00 0.00 C ATOM 697 O ILE A 44 -0.391 2.218 5.165 1.00 0.00 O ATOM 698 CB ILE A 44 -3.076 3.797 5.495 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.523 3.923 4.956 1.00 0.00 C ATOM 700 CG2 ILE A 44 -2.880 4.756 6.690 1.00 0.00 C ATOM 701 CD1 ILE A 44 -4.894 5.278 4.350 1.00 0.00 C ATOM 0 H ILE A 44 -2.200 2.095 3.477 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.792 4.947 4.115 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.982 2.762 5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.677 3.154 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.214 3.710 5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.704 4.635 7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.939 4.526 7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.858 5.785 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.928 5.252 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.782 6.057 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.237 5.492 3.507 1.00 0.00 H new ATOM 713 N PHE A 45 0.178 4.335 5.659 1.00 0.00 N ATOM 714 CA PHE A 45 1.416 4.034 6.384 1.00 0.00 C ATOM 715 C PHE A 45 1.449 4.967 7.586 1.00 0.00 C ATOM 716 O PHE A 45 1.288 6.177 7.407 1.00 0.00 O ATOM 717 CB PHE A 45 2.699 4.202 5.564 1.00 0.00 C ATOM 718 CG PHE A 45 3.950 3.902 6.381 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.136 2.632 6.967 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.910 4.910 6.610 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.273 2.366 7.748 1.00 0.00 C ATOM 722 CE2 PHE A 45 6.052 4.639 7.384 1.00 0.00 C ATOM 723 CZ PHE A 45 6.238 3.366 7.949 1.00 0.00 C ATOM 0 H PHE A 45 -0.016 5.335 5.608 1.00 0.00 H new ATOM 0 HA PHE A 45 1.399 2.979 6.657 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.665 3.539 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.753 5.221 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.398 1.858 6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.767 5.894 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.405 1.391 8.194 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.789 5.412 7.545 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.120 3.157 8.536 1.00 0.00 H new ATOM 733 N ALA A 46 1.616 4.413 8.792 1.00 0.00 N ATOM 734 CA ALA A 46 1.659 5.156 10.051 1.00 0.00 C ATOM 735 C ALA A 46 0.435 6.078 10.211 1.00 0.00 C ATOM 736 O ALA A 46 0.551 7.204 10.683 1.00 0.00 O ATOM 737 CB ALA A 46 3.007 5.880 10.192 1.00 0.00 C ATOM 0 H ALA A 46 1.728 3.407 8.920 1.00 0.00 H new ATOM 0 HA ALA A 46 1.592 4.454 10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.028 6.430 11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.816 5.149 10.181 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.135 6.575 9.362 1.00 0.00 H new ATOM 743 N GLY A 47 -0.736 5.655 9.722 1.00 0.00 N ATOM 744 CA GLY A 47 -1.982 6.411 9.808 1.00 0.00 C ATOM 745 C GLY A 47 -2.132 7.497 8.740 1.00 0.00 C ATOM 746 O GLY A 47 -3.199 8.105 8.638 1.00 0.00 O ATOM 0 H GLY A 47 -0.842 4.759 9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.820 5.719 9.727 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.046 6.874 10.793 1.00 0.00 H new ATOM 750 N LYS A 48 -1.090 7.772 7.953 1.00 0.00 N ATOM 751 CA LYS A 48 -1.063 8.768 6.888 1.00 0.00 C ATOM 752 C LYS A 48 -1.449 8.105 5.574 1.00 0.00 C ATOM 753 O LYS A 48 -0.919 7.049 5.223 1.00 0.00 O ATOM 754 CB LYS A 48 0.327 9.415 6.792 1.00 0.00 C ATOM 755 CG LYS A 48 0.370 10.874 7.253 1.00 0.00 C ATOM 756 CD LYS A 48 -0.479 11.836 6.403 1.00 0.00 C ATOM 757 CE LYS A 48 -0.008 13.297 6.512 1.00 0.00 C ATOM 758 NZ LYS A 48 1.368 13.520 6.006 1.00 0.00 N ATOM 0 H LYS A 48 -0.201 7.281 8.048 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.780 9.558 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.028 8.835 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.671 9.361 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.029 10.925 8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.405 11.215 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.441 11.523 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.521 11.770 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.697 13.934 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.057 13.608 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.500 14.529 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.056 13.227 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.515 12.960 5.142 1.00 0.00 H new ATOM 772 N GLN A 49 -2.388 8.716 4.858 1.00 0.00 N ATOM 773 CA GLN A 49 -2.885 8.220 3.585 1.00 0.00 C ATOM 774 C GLN A 49 -1.828 8.458 2.518 1.00 0.00 C ATOM 775 O GLN A 49 -1.217 9.531 2.471 1.00 0.00 O ATOM 776 CB GLN A 49 -4.133 9.005 3.146 1.00 0.00 C ATOM 777 CG GLN A 49 -5.406 8.807 3.972 1.00 0.00 C ATOM 778 CD GLN A 49 -5.254 9.139 5.454 1.00 0.00 C ATOM 779 OE1 GLN A 49 -5.375 8.272 6.317 1.00 0.00 O ATOM 780 NE2 GLN A 49 -4.917 10.374 5.785 1.00 0.00 N ATOM 0 H GLN A 49 -2.831 9.586 5.154 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.122 7.162 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.886 10.067 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.355 8.738 2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.197 9.428 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.730 7.771 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.819 11.087 5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.755 10.614 6.763 1.00 0.00 H new ATOM 789 N LEU A 50 -1.615 7.449 1.677 1.00 0.00 N ATOM 790 CA LEU A 50 -0.666 7.483 0.581 1.00 0.00 C ATOM 791 C LEU A 50 -1.476 7.381 -0.705 1.00 0.00 C ATOM 792 O LEU A 50 -2.545 6.760 -0.743 1.00 0.00 O ATOM 793 CB LEU A 50 0.344 6.324 0.649 1.00 0.00 C ATOM 794 CG LEU A 50 0.917 5.947 2.027 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.986 4.869 1.827 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.561 7.113 2.782 1.00 0.00 C ATOM 0 H LEU A 50 -2.115 6.563 1.746 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.087 8.405 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.135 5.438 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.181 6.571 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 50 0.074 5.606 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.405 4.588 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.537 3.994 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.779 5.257 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.939 6.761 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.385 7.516 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.818 7.893 2.949 1.00 0.00 H new ATOM 808 N GLU A 51 -0.963 7.971 -1.775 1.00 0.00 N ATOM 809 CA GLU A 51 -1.593 7.964 -3.082 1.00 0.00 C ATOM 810 C GLU A 51 -0.504 8.081 -4.143 1.00 0.00 C ATOM 811 O GLU A 51 0.677 8.221 -3.821 1.00 0.00 O ATOM 812 CB GLU A 51 -2.691 9.039 -3.149 1.00 0.00 C ATOM 813 CG GLU A 51 -2.229 10.470 -2.838 1.00 0.00 C ATOM 814 CD GLU A 51 -3.403 11.311 -2.347 1.00 0.00 C ATOM 815 OE1 GLU A 51 -4.183 11.815 -3.191 1.00 0.00 O ATOM 816 OE2 GLU A 51 -3.565 11.479 -1.114 1.00 0.00 O ATOM 0 H GLU A 51 -0.078 8.478 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.115 7.027 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.129 9.025 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.483 8.770 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.446 10.450 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.797 10.922 -3.731 1.00 0.00 H new ATOM 823 N ASP A 52 -0.890 8.015 -5.412 1.00 0.00 N ATOM 824 CA ASP A 52 0.041 8.076 -6.521 1.00 0.00 C ATOM 825 C ASP A 52 0.589 9.485 -6.681 1.00 0.00 C ATOM 826 O ASP A 52 -0.002 10.473 -6.237 1.00 0.00 O ATOM 827 CB ASP A 52 -0.587 7.525 -7.808 1.00 0.00 C ATOM 828 CG ASP A 52 -1.920 8.160 -8.209 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.890 8.055 -7.424 1.00 0.00 O ATOM 830 OD2 ASP A 52 -2.060 8.577 -9.379 1.00 0.00 O ATOM 0 H ASP A 52 -1.865 7.917 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 52 0.891 7.430 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.121 7.660 -8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.736 6.452 -7.690 1.00 0.00 H new ATOM 835 N GLY A 53 1.765 9.532 -7.300 1.00 0.00 N ATOM 836 CA GLY A 53 2.554 10.722 -7.562 1.00 0.00 C ATOM 837 C GLY A 53 3.785 10.740 -6.653 1.00 0.00 C ATOM 838 O GLY A 53 4.766 11.396 -6.985 1.00 0.00 O ATOM 0 H GLY A 53 2.216 8.687 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.862 10.742 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.951 11.614 -7.391 1.00 0.00 H new ATOM 842 N ARG A 54 3.769 10.008 -5.530 1.00 0.00 N ATOM 843 CA ARG A 54 4.866 9.917 -4.560 1.00 0.00 C ATOM 844 C ARG A 54 5.579 8.567 -4.629 1.00 0.00 C ATOM 845 O ARG A 54 5.060 7.630 -5.243 1.00 0.00 O ATOM 846 CB ARG A 54 4.283 10.155 -3.159 1.00 0.00 C ATOM 847 CG ARG A 54 4.001 11.636 -2.880 1.00 0.00 C ATOM 848 CD ARG A 54 5.283 12.354 -2.467 1.00 0.00 C ATOM 849 NE ARG A 54 5.010 13.758 -2.162 1.00 0.00 N ATOM 850 CZ ARG A 54 5.421 14.822 -2.860 1.00 0.00 C ATOM 851 NH1 ARG A 54 6.370 14.717 -3.789 1.00 0.00 N ATOM 852 NH2 ARG A 54 4.889 16.007 -2.613 1.00 0.00 N ATOM 0 H ARG A 54 2.962 9.443 -5.264 1.00 0.00 H new ATOM 0 HA ARG A 54 5.616 10.673 -4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.359 9.587 -3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.978 9.774 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.584 12.107 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.255 11.728 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.716 11.864 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.019 12.287 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 54 4.448 13.945 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.799 13.811 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.668 15.542 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.171 16.104 -1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.196 16.824 -3.141 1.00 0.00 H new ATOM 866 N THR A 55 6.722 8.468 -3.945 1.00 0.00 N ATOM 867 CA THR A 55 7.573 7.285 -3.867 1.00 0.00 C ATOM 868 C THR A 55 7.797 6.853 -2.410 1.00 0.00 C ATOM 869 O THR A 55 7.500 7.610 -1.480 1.00 0.00 O ATOM 870 CB THR A 55 8.916 7.579 -4.565 1.00 0.00 C ATOM 871 OG1 THR A 55 9.597 8.653 -3.934 1.00 0.00 O ATOM 872 CG2 THR A 55 8.773 7.894 -6.056 1.00 0.00 C ATOM 0 H THR A 55 7.094 9.250 -3.406 1.00 0.00 H new ATOM 0 HA THR A 55 7.075 6.459 -4.375 1.00 0.00 H new ATOM 0 HB THR A 55 9.494 6.659 -4.473 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.065 9.472 -4.017 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.757 8.091 -6.482 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.320 7.044 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.140 8.772 -6.183 1.00 0.00 H new ATOM 880 N LEU A 56 8.341 5.647 -2.201 1.00 0.00 N ATOM 881 CA LEU A 56 8.631 5.093 -0.874 1.00 0.00 C ATOM 882 C LEU A 56 9.463 6.048 -0.012 1.00 0.00 C ATOM 883 O LEU A 56 9.154 6.246 1.164 1.00 0.00 O ATOM 884 CB LEU A 56 9.360 3.731 -0.982 1.00 0.00 C ATOM 885 CG LEU A 56 8.504 2.516 -0.563 1.00 0.00 C ATOM 886 CD1 LEU A 56 8.006 1.729 -1.774 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.304 1.541 0.299 1.00 0.00 C ATOM 0 H LEU A 56 8.596 5.019 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 56 7.666 4.949 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.691 3.590 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.255 3.761 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 56 7.663 2.926 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.408 0.882 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.396 2.377 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.859 1.365 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.672 0.698 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.165 1.180 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.647 2.049 1.200 1.00 0.00 H new ATOM 899 N SER A 57 10.537 6.612 -0.572 1.00 0.00 N ATOM 900 CA SER A 57 11.431 7.524 0.129 1.00 0.00 C ATOM 901 C SER A 57 10.750 8.831 0.524 1.00 0.00 C ATOM 902 O SER A 57 11.142 9.417 1.528 1.00 0.00 O ATOM 903 CB SER A 57 12.735 7.756 -0.649 1.00 0.00 C ATOM 904 OG SER A 57 13.781 8.037 0.265 1.00 0.00 O ATOM 0 H SER A 57 10.810 6.442 -1.540 1.00 0.00 H new ATOM 0 HA SER A 57 11.702 7.034 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.981 6.874 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.613 8.585 -1.347 1.00 0.00 H new ATOM 0 HG SER A 57 14.615 8.184 -0.228 1.00 0.00 H new ATOM 910 N ASP A 58 9.772 9.333 -0.239 1.00 0.00 N ATOM 911 CA ASP A 58 9.095 10.584 0.120 1.00 0.00 C ATOM 912 C ASP A 58 8.446 10.429 1.483 1.00 0.00 C ATOM 913 O ASP A 58 8.651 11.261 2.371 1.00 0.00 O ATOM 914 CB ASP A 58 8.033 10.988 -0.901 1.00 0.00 C ATOM 915 CG ASP A 58 8.645 11.393 -2.229 1.00 0.00 C ATOM 916 OD1 ASP A 58 9.556 12.250 -2.219 1.00 0.00 O ATOM 917 OD2 ASP A 58 8.222 10.861 -3.279 1.00 0.00 O ATOM 0 H ASP A 58 9.435 8.899 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 58 9.849 11.371 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.346 10.157 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.446 11.817 -0.505 1.00 0.00 H new ATOM 922 N TYR A 59 7.732 9.322 1.676 1.00 0.00 N ATOM 923 CA TYR A 59 7.068 9.011 2.932 1.00 0.00 C ATOM 924 C TYR A 59 8.068 8.388 3.923 1.00 0.00 C ATOM 925 O TYR A 59 7.685 8.031 5.038 1.00 0.00 O ATOM 926 CB TYR A 59 5.894 8.068 2.648 1.00 0.00 C ATOM 927 CG TYR A 59 4.830 8.630 1.717 1.00 0.00 C ATOM 928 CD1 TYR A 59 4.005 9.694 2.135 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.628 8.058 0.446 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.958 10.147 1.310 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.581 8.510 -0.378 1.00 0.00 C ATOM 932 CZ TYR A 59 2.723 9.547 0.054 1.00 0.00 C ATOM 933 OH TYR A 59 1.647 9.940 -0.691 1.00 0.00 O ATOM 0 H TYR A 59 7.599 8.612 0.956 1.00 0.00 H new ATOM 0 HA TYR A 59 6.684 9.922 3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.284 7.146 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.424 7.802 3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.177 10.164 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.280 7.269 0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.329 10.960 1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.432 8.061 -1.349 1.00 0.00 H new ATOM 0 HH TYR A 59 1.731 9.585 -1.600 1.00 0.00 H new ATOM 943 N ASN A 60 9.339 8.239 3.526 1.00 0.00 N ATOM 944 CA ASN A 60 10.453 7.687 4.291 1.00 0.00 C ATOM 945 C ASN A 60 10.103 6.301 4.828 1.00 0.00 C ATOM 946 O ASN A 60 10.291 6.018 6.014 1.00 0.00 O ATOM 947 CB ASN A 60 10.967 8.697 5.326 1.00 0.00 C ATOM 948 CG ASN A 60 12.291 8.268 5.953 1.00 0.00 C ATOM 949 OD1 ASN A 60 13.338 8.338 5.318 1.00 0.00 O ATOM 950 ND2 ASN A 60 12.301 7.849 7.205 1.00 0.00 N ATOM 0 H ASN A 60 9.632 8.524 2.591 1.00 0.00 H new ATOM 0 HA ASN A 60 11.309 7.520 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.092 9.669 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.220 8.821 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.181 7.583 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.429 7.792 7.731 1.00 0.00 H new ATOM 957 N ILE A 61 9.562 5.438 3.972 1.00 0.00 N ATOM 958 CA ILE A 61 9.180 4.081 4.342 1.00 0.00 C ATOM 959 C ILE A 61 10.463 3.272 4.185 1.00 0.00 C ATOM 960 O ILE A 61 11.058 3.262 3.103 1.00 0.00 O ATOM 961 CB ILE A 61 8.056 3.577 3.403 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.763 4.400 3.606 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.746 2.085 3.635 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.769 4.284 2.447 1.00 0.00 C ATOM 0 H ILE A 61 9.376 5.664 2.995 1.00 0.00 H new ATOM 0 HA ILE A 61 8.783 4.002 5.354 1.00 0.00 H new ATOM 0 HB ILE A 61 8.415 3.704 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.276 4.073 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.028 5.449 3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.953 1.769 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.642 1.494 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.424 1.936 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.888 4.888 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.237 4.639 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.473 3.242 2.324 1.00 0.00 H new ATOM 976 N GLN A 62 10.908 2.614 5.255 1.00 0.00 N ATOM 977 CA GLN A 62 12.118 1.802 5.237 1.00 0.00 C ATOM 978 C GLN A 62 11.773 0.349 4.917 1.00 0.00 C ATOM 979 O GLN A 62 10.604 -0.010 4.747 1.00 0.00 O ATOM 980 CB GLN A 62 12.903 1.960 6.553 1.00 0.00 C ATOM 981 CG GLN A 62 13.233 3.429 6.882 1.00 0.00 C ATOM 982 CD GLN A 62 13.770 4.185 5.668 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.695 3.740 4.993 1.00 0.00 O ATOM 984 NE2 GLN A 62 13.150 5.292 5.307 1.00 0.00 N ATOM 0 H GLN A 62 10.436 2.631 6.159 1.00 0.00 H new ATOM 0 HA GLN A 62 12.778 2.154 4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.323 1.532 7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.830 1.390 6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.336 3.927 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.970 3.463 7.684 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.383 5.655 5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.438 5.785 4.462 1.00 0.00 H new ATOM 993 N LYS A 63 12.797 -0.493 4.773 1.00 0.00 N ATOM 994 CA LYS A 63 12.590 -1.899 4.462 1.00 0.00 C ATOM 995 C LYS A 63 11.861 -2.596 5.614 1.00 0.00 C ATOM 996 O LYS A 63 11.875 -2.130 6.757 1.00 0.00 O ATOM 997 CB LYS A 63 13.909 -2.562 4.037 1.00 0.00 C ATOM 998 CG LYS A 63 14.939 -2.693 5.160 1.00 0.00 C ATOM 999 CD LYS A 63 16.139 -3.509 4.678 1.00 0.00 C ATOM 1000 CE LYS A 63 17.156 -3.653 5.812 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.157 -4.695 5.516 1.00 0.00 N ATOM 0 H LYS A 63 13.776 -0.222 4.868 1.00 0.00 H new ATOM 0 HA LYS A 63 11.933 -1.999 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.692 -3.554 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.347 -1.983 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.267 -1.704 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.485 -3.175 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.811 -4.493 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.603 -3.020 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.659 -2.700 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.637 -3.900 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.830 -4.765 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.679 -5.609 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.670 -4.447 4.646 1.00 0.00 H new ATOM 1015 N GLU A 64 11.199 -3.700 5.292 1.00 0.00 N ATOM 1016 CA GLU A 64 10.407 -4.558 6.156 1.00 0.00 C ATOM 1017 C GLU A 64 9.348 -3.754 6.939 1.00 0.00 C ATOM 1018 O GLU A 64 9.092 -4.031 8.113 1.00 0.00 O ATOM 1019 CB GLU A 64 11.327 -5.459 7.011 1.00 0.00 C ATOM 1020 CG GLU A 64 12.034 -6.572 6.212 1.00 0.00 C ATOM 1021 CD GLU A 64 13.227 -6.107 5.362 1.00 0.00 C ATOM 1022 OE1 GLU A 64 13.066 -5.882 4.138 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.351 -6.038 5.908 1.00 0.00 O ATOM 0 H GLU A 64 11.205 -4.046 4.333 1.00 0.00 H new ATOM 0 HA GLU A 64 9.817 -5.246 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.081 -4.837 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.735 -5.915 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.380 -7.335 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.304 -7.047 5.557 1.00 0.00 H new ATOM 1030 N SER A 65 8.765 -2.709 6.337 1.00 0.00 N ATOM 1031 CA SER A 65 7.728 -1.889 6.975 1.00 0.00 C ATOM 1032 C SER A 65 6.357 -2.536 6.753 1.00 0.00 C ATOM 1033 O SER A 65 6.180 -3.243 5.763 1.00 0.00 O ATOM 1034 CB SER A 65 7.736 -0.469 6.408 1.00 0.00 C ATOM 1035 OG SER A 65 8.935 0.184 6.766 1.00 0.00 O ATOM 0 H SER A 65 9.000 -2.408 5.391 1.00 0.00 H new ATOM 0 HA SER A 65 7.934 -1.830 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.639 -0.501 5.323 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.880 0.089 6.788 1.00 0.00 H new ATOM 0 HG SER A 65 9.580 0.109 6.032 1.00 0.00 H new ATOM 1041 N THR A 66 5.368 -2.219 7.591 1.00 0.00 N ATOM 1042 CA THR A 66 4.014 -2.767 7.523 1.00 0.00 C ATOM 1043 C THR A 66 2.997 -1.642 7.296 1.00 0.00 C ATOM 1044 O THR A 66 2.923 -0.696 8.078 1.00 0.00 O ATOM 1045 CB THR A 66 3.765 -3.624 8.779 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.828 -4.558 8.895 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.443 -4.392 8.700 1.00 0.00 C ATOM 0 H THR A 66 5.491 -1.556 8.356 1.00 0.00 H new ATOM 0 HA THR A 66 3.893 -3.430 6.666 1.00 0.00 H new ATOM 0 HB THR A 66 3.714 -2.961 9.642 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.690 -5.114 9.690 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.310 -4.982 9.607 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.618 -3.687 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.458 -5.055 7.835 1.00 0.00 H new ATOM 1055 N LEU A 67 2.246 -1.718 6.191 1.00 0.00 N ATOM 1056 CA LEU A 67 1.229 -0.750 5.777 1.00 0.00 C ATOM 1057 C LEU A 67 -0.182 -1.328 5.969 1.00 0.00 C ATOM 1058 O LEU A 67 -0.340 -2.534 6.170 1.00 0.00 O ATOM 1059 CB LEU A 67 1.475 -0.355 4.306 1.00 0.00 C ATOM 1060 CG LEU A 67 2.668 0.605 4.103 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.046 -0.072 4.171 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.554 1.334 2.764 1.00 0.00 C ATOM 0 H LEU A 67 2.336 -2.492 5.533 1.00 0.00 H new ATOM 0 HA LEU A 67 1.302 0.142 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.646 -1.259 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.574 0.114 3.911 1.00 0.00 H new ATOM 0 HG LEU A 67 2.609 1.303 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.826 0.674 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.175 -0.537 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.116 -0.834 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.404 2.005 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.546 0.606 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.630 1.912 2.742 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.205 -0.469 5.978 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.624 -0.817 6.136 1.00 0.00 C ATOM 1076 C HIS A 68 -3.452 -0.379 4.921 1.00 0.00 C ATOM 1077 O HIS A 68 -3.015 0.482 4.155 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.174 -0.198 7.431 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.267 -1.185 8.565 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -4.419 -1.825 8.962 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -2.251 -1.612 9.377 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -4.113 -2.617 9.995 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -2.804 -2.516 10.296 1.00 0.00 N ATOM 0 H HIS A 68 -1.062 0.535 5.870 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.704 -1.902 6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.533 0.631 7.731 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.163 0.217 7.237 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.216 -1.309 9.321 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.817 -3.249 10.515 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.311 -3.002 11.045 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.644 -0.966 4.743 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.584 -0.671 3.654 1.00 0.00 C ATOM 1093 C LEU A 69 -6.951 -0.261 4.227 1.00 0.00 C ATOM 1094 O LEU A 69 -7.459 -0.962 5.106 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.712 -1.886 2.716 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.395 -2.343 2.057 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.592 -3.587 1.190 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -3.794 -1.257 1.169 1.00 0.00 C ATOM 0 H LEU A 69 -4.992 -1.685 5.377 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.200 0.165 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.126 -2.721 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.429 -1.646 1.931 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.720 -2.566 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.640 -3.875 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.966 -4.404 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.311 -3.370 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.868 -1.621 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.500 -1.002 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.585 -0.371 1.769 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.564 0.836 3.759 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.878 1.318 4.234 1.00 0.00 C ATOM 1112 C VAL A 70 -9.731 1.844 3.069 1.00 0.00 C ATOM 1113 O VAL A 70 -9.200 2.106 1.987 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.712 2.417 5.313 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.833 1.979 6.493 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.136 3.717 4.733 1.00 0.00 C ATOM 0 H VAL A 70 -7.159 1.424 3.030 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.394 0.469 4.682 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.723 2.595 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.757 2.794 7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.279 1.109 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.838 1.722 6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.038 4.457 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.156 3.519 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.805 4.099 3.961 1.00 0.00 H new ATOM 1126 N LEU A 71 -11.052 1.966 3.253 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.967 2.480 2.229 1.00 0.00 C ATOM 1128 C LEU A 71 -13.104 3.326 2.813 1.00 0.00 C ATOM 1129 O LEU A 71 -13.130 3.579 4.019 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.550 1.275 1.480 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.495 0.386 2.329 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -14.714 -0.041 1.516 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -12.759 -0.863 2.814 1.00 0.00 C ATOM 0 H LEU A 71 -11.518 1.709 4.123 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.407 3.137 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.096 1.635 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.729 0.661 1.110 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.823 0.974 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.362 -0.664 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.262 0.843 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.389 -0.608 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.436 -1.476 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.410 -1.436 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.906 -0.568 3.425 1.00 0.00 H new