USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 502 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 12 ASN : amide:sc= -0.0865 X(o=-0.32,f=-0.044) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.236 X(o=-0.32,f=0.036) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0.678 USER MOD Set 2.2: A 30 LYS NZ :NH3+ 151:sc= 0.76 (180deg=-0.0521) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 141:sc= 0.0651 (180deg=-0.0066) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0361) USER MOD Single : A 10 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 17 TYR OH : rot 180:sc= 0.0781 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 19 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0811) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.96! C(o=-3.6!,f=-2!) USER MOD Single : A 27 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.077) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc=-0.000748 (180deg=-0.0722) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.509) USER MOD Single : A 31 GLN : amide:sc=-0.00646 K(o=-0.0065,f=-0.54) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 156:sc= 0.419 USER MOD Single : A 44 SER OG : rot -130:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.892 F(o=-3.7!,f=-0.89) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0797) USER MOD Single : A 49 THR OG1 : rot 137:sc= 0.645 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= -0.107 (180deg=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.484 -9.688 -6.791 1.00 0.00 N ATOM 2 CA GLN A 1 -13.540 -8.663 -6.662 1.00 0.00 C ATOM 3 C GLN A 1 -13.094 -7.500 -5.753 1.00 0.00 C ATOM 4 O GLN A 1 -12.218 -7.702 -4.911 1.00 0.00 O ATOM 5 CB GLN A 1 -14.845 -9.299 -6.142 1.00 0.00 C ATOM 6 CG GLN A 1 -14.736 -9.868 -4.716 1.00 0.00 C ATOM 7 CD GLN A 1 -16.065 -10.460 -4.239 1.00 0.00 C ATOM 8 OE1 GLN A 1 -16.745 -9.875 -3.398 1.00 0.00 O ATOM 9 NE2 GLN A 1 -16.440 -11.626 -4.774 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.916 -10.634 -6.787 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.970 -9.546 -7.684 1.00 0.00 H new ATOM 0 H3 GLN A 1 -11.822 -9.607 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 1 -13.726 -8.248 -7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -15.637 -8.550 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -15.143 -10.099 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -13.964 -10.638 -4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -14.423 -9.079 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -15.849 -12.082 -5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -17.317 -12.060 -4.487 1.00 0.00 H new ATOM 20 N PRO A 2 -13.683 -6.289 -5.884 1.00 0.00 N ATOM 21 CA PRO A 2 -13.344 -5.121 -5.066 1.00 0.00 C ATOM 22 C PRO A 2 -13.398 -5.412 -3.555 1.00 0.00 C ATOM 23 O PRO A 2 -14.242 -6.185 -3.099 1.00 0.00 O ATOM 24 CB PRO A 2 -14.342 -4.030 -5.469 1.00 0.00 C ATOM 25 CG PRO A 2 -14.666 -4.381 -6.918 1.00 0.00 C ATOM 26 CD PRO A 2 -14.664 -5.910 -6.895 1.00 0.00 C ATOM 0 HA PRO A 2 -12.314 -4.813 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -15.233 -4.046 -4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.908 -3.034 -5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.632 -3.981 -7.227 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.921 -3.984 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.652 -6.299 -6.647 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.397 -6.316 -7.871 1.00 0.00 H new ATOM 34 N LEU A 3 -12.488 -4.785 -2.794 1.00 0.00 N ATOM 35 CA LEU A 3 -12.314 -4.918 -1.345 1.00 0.00 C ATOM 36 C LEU A 3 -11.729 -6.310 -1.073 1.00 0.00 C ATOM 37 O LEU A 3 -12.396 -7.216 -0.576 1.00 0.00 O ATOM 38 CB LEU A 3 -13.619 -4.635 -0.588 1.00 0.00 C ATOM 39 CG LEU A 3 -13.423 -4.180 0.876 1.00 0.00 C ATOM 40 CD1 LEU A 3 -14.767 -3.724 1.465 1.00 0.00 C ATOM 41 CD2 LEU A 3 -12.808 -5.263 1.776 1.00 0.00 C ATOM 0 H LEU A 3 -11.816 -4.134 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.618 -4.169 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.176 -3.866 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.232 -5.536 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.714 -3.352 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.622 -3.405 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.158 -2.892 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.476 -4.552 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.699 -4.875 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.459 -6.137 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.829 -5.546 1.388 1.00 0.00 H new ATOM 53 N ARG A 4 -10.454 -6.451 -1.438 1.00 0.00 N ATOM 54 CA ARG A 4 -9.626 -7.634 -1.319 1.00 0.00 C ATOM 55 C ARG A 4 -8.987 -7.716 0.076 1.00 0.00 C ATOM 56 O ARG A 4 -9.202 -6.862 0.938 1.00 0.00 O ATOM 57 CB ARG A 4 -8.541 -7.529 -2.402 1.00 0.00 C ATOM 58 CG ARG A 4 -8.993 -7.914 -3.821 1.00 0.00 C ATOM 59 CD ARG A 4 -9.442 -9.377 -3.959 1.00 0.00 C ATOM 60 NE ARG A 4 -8.397 -10.301 -3.485 1.00 0.00 N ATOM 61 CZ ARG A 4 -8.583 -11.509 -2.924 1.00 0.00 C ATOM 62 NH1 ARG A 4 -9.807 -12.044 -2.790 1.00 0.00 N ATOM 63 NH2 ARG A 4 -7.516 -12.194 -2.489 1.00 0.00 N ATOM 0 H ARG A 4 -9.941 -5.675 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.223 -8.536 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.168 -6.505 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.704 -8.168 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.815 -7.263 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.173 -7.729 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.357 -9.535 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.676 -9.592 -5.002 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.431 -9.992 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.626 -11.532 -3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.918 -12.962 -2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.581 -11.798 -2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.639 -13.112 -2.061 1.00 0.00 H new ATOM 77 N LYS A 5 -8.197 -8.780 0.276 1.00 0.00 N ATOM 78 CA LYS A 5 -7.483 -9.083 1.516 1.00 0.00 C ATOM 79 C LYS A 5 -6.092 -8.484 1.552 1.00 0.00 C ATOM 80 O LYS A 5 -5.704 -7.839 2.524 1.00 0.00 O ATOM 81 CB LYS A 5 -7.445 -10.595 1.774 1.00 0.00 C ATOM 82 CG LYS A 5 -8.854 -11.182 1.959 1.00 0.00 C ATOM 83 CD LYS A 5 -8.829 -12.656 2.397 1.00 0.00 C ATOM 84 CE LYS A 5 -8.233 -13.613 1.354 1.00 0.00 C ATOM 85 NZ LYS A 5 -9.005 -13.623 0.100 1.00 0.00 N ATOM 0 H LYS A 5 -8.034 -9.477 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.043 -8.612 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.951 -11.093 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.848 -10.796 2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.393 -10.595 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.406 -11.094 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.255 -12.739 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.847 -12.973 2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.204 -13.322 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.200 -14.622 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.616 -14.344 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.000 -13.844 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.945 -12.688 -0.352 1.00 0.00 H new ATOM 99 N LEU A 6 -5.339 -8.723 0.485 1.00 0.00 N ATOM 100 CA LEU A 6 -3.996 -8.175 0.340 1.00 0.00 C ATOM 101 C LEU A 6 -4.042 -6.655 0.133 1.00 0.00 C ATOM 102 O LEU A 6 -2.984 -6.031 0.059 1.00 0.00 O ATOM 103 CB LEU A 6 -3.235 -8.866 -0.796 1.00 0.00 C ATOM 104 CG LEU A 6 -3.888 -8.858 -2.195 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.936 -7.447 -2.804 1.00 0.00 C ATOM 106 CD2 LEU A 6 -3.093 -9.787 -3.127 1.00 0.00 C ATOM 0 H LEU A 6 -5.640 -9.299 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.454 -8.370 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.255 -8.397 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.068 -9.904 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.915 -9.206 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.403 -7.491 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.516 -6.790 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.922 -7.058 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.549 -9.786 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.064 -9.435 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.101 -10.800 -2.725 1.00 0.00 H new ATOM 118 N CYS A 7 -5.248 -6.063 0.031 1.00 0.00 N ATOM 119 CA CYS A 7 -5.424 -4.624 -0.135 1.00 0.00 C ATOM 120 C CYS A 7 -5.759 -4.046 1.249 1.00 0.00 C ATOM 121 O CYS A 7 -6.588 -3.151 1.384 1.00 0.00 O ATOM 122 CB CYS A 7 -6.478 -4.347 -1.220 1.00 0.00 C ATOM 123 SG CYS A 7 -6.237 -2.844 -2.218 1.00 0.00 S ATOM 0 H CYS A 7 -6.126 -6.581 0.063 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.521 -4.128 -0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.508 -5.203 -1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.455 -4.285 -0.740 1.00 0.00 H new ATOM 128 N ILE A 8 -5.117 -4.611 2.282 1.00 0.00 N ATOM 129 CA ILE A 8 -5.193 -4.266 3.690 1.00 0.00 C ATOM 130 C ILE A 8 -3.743 -4.237 4.187 1.00 0.00 C ATOM 131 O ILE A 8 -3.430 -3.452 5.081 1.00 0.00 O ATOM 132 CB ILE A 8 -6.036 -5.299 4.478 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.474 -5.386 3.916 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.065 -4.921 5.970 1.00 0.00 C ATOM 135 CD1 ILE A 8 -8.308 -6.514 4.540 1.00 0.00 C ATOM 0 H ILE A 8 -4.477 -5.390 2.128 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.685 -3.305 3.839 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.573 -6.279 4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.980 -4.435 4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.426 -5.535 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.659 -5.651 6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.048 -4.912 6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.508 -3.932 6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.305 -6.516 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.825 -7.472 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.387 -6.356 5.616 1.00 0.00 H new ATOM 147 N LEU A 9 -2.858 -5.057 3.583 1.00 0.00 N ATOM 148 CA LEU A 9 -1.466 -5.172 3.939 1.00 0.00 C ATOM 149 C LEU A 9 -0.643 -6.019 2.942 1.00 0.00 C ATOM 150 O LEU A 9 -0.599 -5.767 1.751 1.00 0.00 O ATOM 151 CB LEU A 9 -1.414 -5.780 5.341 1.00 0.00 C ATOM 152 CG LEU A 9 -2.273 -7.084 5.496 1.00 0.00 C ATOM 153 CD1 LEU A 9 -2.398 -8.085 4.307 1.00 0.00 C ATOM 154 CD2 LEU A 9 -1.807 -7.857 6.733 1.00 0.00 C ATOM 0 H LEU A 9 -3.122 -5.669 2.811 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.010 -4.182 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.377 -6.007 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.761 -5.039 6.062 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.280 -6.672 5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.030 -8.923 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.843 -7.579 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.409 -8.454 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.403 -8.763 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.757 -8.125 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.929 -7.234 7.619 1.00 0.00 H new ATOM 166 N HIS A 10 0.018 -7.054 3.462 1.00 0.00 N ATOM 167 CA HIS A 10 0.893 -8.028 2.856 1.00 0.00 C ATOM 168 C HIS A 10 2.294 -7.417 2.762 1.00 0.00 C ATOM 169 O HIS A 10 3.282 -8.059 3.116 1.00 0.00 O ATOM 170 CB HIS A 10 0.277 -8.571 1.550 1.00 0.00 C ATOM 171 CG HIS A 10 0.739 -9.944 1.124 1.00 0.00 C ATOM 172 ND1 HIS A 10 0.282 -10.512 -0.067 1.00 0.00 N ATOM 173 CD2 HIS A 10 1.589 -10.831 1.736 1.00 0.00 C ATOM 174 CE1 HIS A 10 0.878 -11.706 -0.130 1.00 0.00 C ATOM 175 NE2 HIS A 10 1.672 -11.944 0.927 1.00 0.00 N ATOM 0 H HIS A 10 -0.070 -7.243 4.460 1.00 0.00 H new ATOM 0 HA HIS A 10 1.006 -8.926 3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.807 -8.593 1.664 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.499 -7.869 0.747 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.098 -10.684 2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.737 -12.404 -0.942 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.227 -12.783 1.097 1.00 0.00 H new ATOM 183 N ARG A 11 2.347 -6.158 2.318 1.00 0.00 N ATOM 184 CA ARG A 11 3.524 -5.323 2.119 1.00 0.00 C ATOM 185 C ARG A 11 4.507 -5.322 3.291 1.00 0.00 C ATOM 186 O ARG A 11 4.151 -5.451 4.462 1.00 0.00 O ATOM 187 CB ARG A 11 3.133 -3.885 1.761 1.00 0.00 C ATOM 188 CG ARG A 11 2.983 -3.757 0.241 1.00 0.00 C ATOM 189 CD ARG A 11 4.327 -3.725 -0.517 1.00 0.00 C ATOM 190 NE ARG A 11 4.138 -4.067 -1.936 1.00 0.00 N ATOM 191 CZ ARG A 11 5.020 -3.880 -2.935 1.00 0.00 C ATOM 192 NH1 ARG A 11 6.218 -3.322 -2.716 1.00 0.00 N ATOM 193 NH2 ARG A 11 4.691 -4.260 -4.177 1.00 0.00 N ATOM 0 H ARG A 11 1.493 -5.659 2.069 1.00 0.00 H new ATOM 0 HA ARG A 11 4.050 -5.781 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.197 -3.619 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.892 -3.190 2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.388 -4.593 -0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.428 -2.847 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.772 -2.734 -0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.024 -4.427 -0.059 1.00 0.00 H new ATOM 0 HE ARG A 11 3.245 -4.490 -2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.479 -3.028 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.869 -3.191 -3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.781 -4.685 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.350 -4.124 -4.943 1.00 0.00 H new ATOM 207 N ASN A 12 5.766 -5.146 2.888 1.00 0.00 N ATOM 208 CA ASN A 12 6.986 -5.079 3.664 1.00 0.00 C ATOM 209 C ASN A 12 7.888 -4.096 2.901 1.00 0.00 C ATOM 210 O ASN A 12 8.080 -4.301 1.702 1.00 0.00 O ATOM 211 CB ASN A 12 7.625 -6.481 3.714 1.00 0.00 C ATOM 212 CG ASN A 12 7.000 -7.379 4.787 1.00 0.00 C ATOM 213 OD1 ASN A 12 7.518 -7.474 5.897 1.00 0.00 O ATOM 214 ND2 ASN A 12 5.889 -8.047 4.464 1.00 0.00 N ATOM 0 H ASN A 12 5.968 -5.035 1.894 1.00 0.00 H new ATOM 0 HA ASN A 12 6.823 -4.754 4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.519 -6.959 2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.693 -6.382 3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.445 -8.659 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.485 -7.945 3.533 1.00 0.00 H new ATOM 221 N PRO A 13 8.432 -3.032 3.532 1.00 0.00 N ATOM 222 CA PRO A 13 9.305 -2.055 2.883 1.00 0.00 C ATOM 223 C PRO A 13 10.325 -2.675 1.926 1.00 0.00 C ATOM 224 O PRO A 13 10.530 -2.191 0.816 1.00 0.00 O ATOM 225 CB PRO A 13 9.961 -1.267 4.020 1.00 0.00 C ATOM 226 CG PRO A 13 8.855 -1.255 5.075 1.00 0.00 C ATOM 227 CD PRO A 13 8.174 -2.618 4.900 1.00 0.00 C ATOM 0 HA PRO A 13 8.725 -1.404 2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.867 -1.752 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.241 -0.260 3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.261 -1.136 6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.156 -0.434 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.572 -3.345 5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.103 -2.544 5.088 1.00 0.00 H new ATOM 235 N GLY A 14 10.911 -3.779 2.385 1.00 0.00 N ATOM 236 CA GLY A 14 11.889 -4.599 1.692 1.00 0.00 C ATOM 237 C GLY A 14 13.326 -4.127 1.897 1.00 0.00 C ATOM 238 O GLY A 14 13.578 -2.955 2.181 1.00 0.00 O ATOM 0 H GLY A 14 10.697 -4.144 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.799 -5.629 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.663 -4.599 0.626 1.00 0.00 H new ATOM 242 N ARG A 15 14.268 -5.068 1.742 1.00 0.00 N ATOM 243 CA ARG A 15 15.700 -4.831 1.877 1.00 0.00 C ATOM 244 C ARG A 15 16.197 -4.447 0.481 1.00 0.00 C ATOM 245 O ARG A 15 16.362 -5.318 -0.374 1.00 0.00 O ATOM 246 CB ARG A 15 16.399 -6.088 2.437 1.00 0.00 C ATOM 247 CG ARG A 15 17.841 -5.845 2.926 1.00 0.00 C ATOM 248 CD ARG A 15 18.809 -5.370 1.831 1.00 0.00 C ATOM 249 NE ARG A 15 20.203 -5.355 2.297 1.00 0.00 N ATOM 250 CZ ARG A 15 21.254 -4.911 1.581 1.00 0.00 C ATOM 251 NH1 ARG A 15 21.097 -4.433 0.337 1.00 0.00 N ATOM 252 NH2 ARG A 15 22.481 -4.947 2.119 1.00 0.00 N ATOM 0 H ARG A 15 14.043 -6.036 1.514 1.00 0.00 H new ATOM 0 HA ARG A 15 15.925 -4.032 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.808 -6.480 3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.414 -6.856 1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 15 17.821 -5.103 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.226 -6.768 3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 15 18.724 -6.024 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 15 18.525 -4.369 1.505 1.00 0.00 H new ATOM 0 HE ARG A 15 20.389 -5.708 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 15 20.168 -4.401 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 15 21.906 -4.102 -0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 15 22.613 -5.309 3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 15 23.282 -4.613 1.584 1.00 0.00 H new ATOM 266 N CYS A 16 16.417 -3.144 0.250 1.00 0.00 N ATOM 267 CA CYS A 16 16.889 -2.637 -1.032 1.00 0.00 C ATOM 268 C CYS A 16 17.912 -1.527 -0.751 1.00 0.00 C ATOM 269 O CYS A 16 18.926 -1.807 -0.108 1.00 0.00 O ATOM 270 CB CYS A 16 15.672 -2.234 -1.888 1.00 0.00 C ATOM 271 SG CYS A 16 16.002 -2.149 -3.673 1.00 0.00 S ATOM 0 H CYS A 16 16.270 -2.418 0.951 1.00 0.00 H new ATOM 0 HA CYS A 16 17.414 -3.384 -1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.868 -2.949 -1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.312 -1.262 -1.551 1.00 0.00 H new ATOM 276 N TYR A 17 17.670 -0.289 -1.209 1.00 0.00 N ATOM 277 CA TYR A 17 18.578 0.843 -1.010 1.00 0.00 C ATOM 278 C TYR A 17 17.828 2.187 -1.012 1.00 0.00 C ATOM 279 O TYR A 17 18.137 3.053 -0.193 1.00 0.00 O ATOM 280 CB TYR A 17 19.643 0.834 -2.127 1.00 0.00 C ATOM 281 CG TYR A 17 20.765 -0.168 -1.901 1.00 0.00 C ATOM 282 CD1 TYR A 17 21.738 0.067 -0.903 1.00 0.00 C ATOM 283 CD2 TYR A 17 20.814 -1.363 -2.656 1.00 0.00 C ATOM 284 CE1 TYR A 17 22.719 -0.908 -0.624 1.00 0.00 C ATOM 285 CE2 TYR A 17 21.795 -2.337 -2.379 1.00 0.00 C ATOM 286 CZ TYR A 17 22.738 -2.118 -1.352 1.00 0.00 C ATOM 287 OH TYR A 17 23.657 -3.084 -1.056 1.00 0.00 O ATOM 0 H TYR A 17 16.829 -0.047 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 17 19.051 0.736 -0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 17 19.157 0.612 -3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.072 1.832 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 17 21.731 0.996 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 17 20.098 -1.530 -3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 17 23.455 -0.729 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 17 21.825 -3.251 -2.953 1.00 0.00 H new ATOM 0 HH TYR A 17 23.529 -3.851 -1.652 1.00 0.00 H new ATOM 297 N GLN A 18 16.861 2.370 -1.924 1.00 0.00 N ATOM 298 CA GLN A 18 16.074 3.594 -2.084 1.00 0.00 C ATOM 299 C GLN A 18 14.839 3.583 -1.162 1.00 0.00 C ATOM 300 O GLN A 18 14.648 2.666 -0.362 1.00 0.00 O ATOM 301 CB GLN A 18 15.760 3.737 -3.593 1.00 0.00 C ATOM 302 CG GLN A 18 15.272 5.126 -4.042 1.00 0.00 C ATOM 303 CD GLN A 18 15.504 5.371 -5.537 1.00 0.00 C ATOM 304 OE1 GLN A 18 14.565 5.354 -6.331 1.00 0.00 O ATOM 305 NE2 GLN A 18 16.759 5.610 -5.928 1.00 0.00 N ATOM 0 H GLN A 18 16.600 1.644 -2.591 1.00 0.00 H new ATOM 0 HA GLN A 18 16.625 4.480 -1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.658 3.487 -4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.001 3.001 -3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.209 5.224 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.789 5.894 -3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.514 5.617 -5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.962 5.786 -6.912 1.00 0.00 H new ATOM 314 N LYS A 19 14.030 4.644 -1.246 1.00 0.00 N ATOM 315 CA LYS A 19 12.821 4.966 -0.573 1.00 0.00 C ATOM 316 C LYS A 19 11.951 5.482 -1.729 1.00 0.00 C ATOM 317 O LYS A 19 12.319 6.346 -2.528 1.00 0.00 O ATOM 318 CB LYS A 19 13.031 6.079 0.441 1.00 0.00 C ATOM 319 CG LYS A 19 11.941 6.167 1.510 1.00 0.00 C ATOM 320 CD LYS A 19 12.041 7.572 2.115 1.00 0.00 C ATOM 321 CE LYS A 19 11.169 7.763 3.364 1.00 0.00 C ATOM 322 NZ LYS A 19 11.702 7.030 4.526 1.00 0.00 N ATOM 0 H LYS A 19 14.271 5.394 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 19 12.400 4.129 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.994 5.932 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.084 7.031 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.956 6.001 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.084 5.404 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.080 7.775 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.750 8.305 1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.105 8.825 3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.155 7.422 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.923 6.548 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.396 6.326 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.163 7.698 5.176 1.00 0.00 H new ATOM 336 N ILE A 20 10.789 4.898 -1.753 1.00 0.00 N ATOM 337 CA ILE A 20 9.683 5.088 -2.678 1.00 0.00 C ATOM 338 C ILE A 20 8.400 5.196 -1.854 1.00 0.00 C ATOM 339 O ILE A 20 7.672 4.209 -1.740 1.00 0.00 O ATOM 340 CB ILE A 20 9.562 3.923 -3.704 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.870 3.377 -4.310 1.00 0.00 C ATOM 342 CG2 ILE A 20 8.597 4.388 -4.812 1.00 0.00 C ATOM 343 CD1 ILE A 20 11.554 4.283 -5.332 1.00 0.00 C ATOM 0 H ILE A 20 10.556 4.196 -1.050 1.00 0.00 H new ATOM 0 HA ILE A 20 9.859 5.995 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 20 9.192 3.064 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.571 3.181 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.657 2.420 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.485 3.597 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.625 4.616 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.998 5.281 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.463 3.802 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.880 4.460 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.808 5.234 -4.863 1.00 0.00 H new ATOM 355 N PRO A 21 8.081 6.358 -1.258 1.00 0.00 N ATOM 356 CA PRO A 21 6.861 6.460 -0.496 1.00 0.00 C ATOM 357 C PRO A 21 5.665 6.319 -1.441 1.00 0.00 C ATOM 358 O PRO A 21 5.573 6.963 -2.487 1.00 0.00 O ATOM 359 CB PRO A 21 6.866 7.771 0.255 1.00 0.00 C ATOM 360 CG PRO A 21 8.214 8.426 -0.088 1.00 0.00 C ATOM 361 CD PRO A 21 8.795 7.621 -1.261 1.00 0.00 C ATOM 0 HA PRO A 21 6.784 5.660 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.032 8.403 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.768 7.610 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.080 9.472 -0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.886 8.405 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.656 8.148 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.867 7.466 -1.137 1.00 0.00 H new ATOM 369 N ALA A 22 4.778 5.430 -1.018 1.00 0.00 N ATOM 370 CA ALA A 22 3.536 5.047 -1.685 1.00 0.00 C ATOM 371 C ALA A 22 2.385 5.195 -0.680 1.00 0.00 C ATOM 372 O ALA A 22 2.434 6.095 0.157 1.00 0.00 O ATOM 373 CB ALA A 22 3.712 3.618 -2.228 1.00 0.00 C ATOM 0 H ALA A 22 4.913 4.923 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 22 3.295 5.686 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.798 3.305 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.542 3.597 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.922 2.938 -1.402 1.00 0.00 H new ATOM 379 N PHE A 23 1.343 4.354 -0.774 1.00 0.00 N ATOM 380 CA PHE A 23 0.193 4.355 0.128 1.00 0.00 C ATOM 381 C PHE A 23 -0.218 2.910 0.480 1.00 0.00 C ATOM 382 O PHE A 23 0.188 1.947 -0.169 1.00 0.00 O ATOM 383 CB PHE A 23 -1.022 5.073 -0.493 1.00 0.00 C ATOM 384 CG PHE A 23 -0.909 6.552 -0.829 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.108 6.990 -1.903 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.635 7.504 -0.076 1.00 0.00 C ATOM 387 CE1 PHE A 23 0.114 8.369 -2.107 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.407 8.882 -0.266 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.521 9.315 -1.275 1.00 0.00 C ATOM 0 H PHE A 23 1.281 3.639 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 23 0.497 4.891 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.283 4.546 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.861 4.954 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.337 6.268 -2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.366 7.174 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.769 8.700 -2.899 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.910 9.605 0.360 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.329 10.369 -1.410 1.00 0.00 H new ATOM 399 N TYR A 24 -1.066 2.804 1.510 1.00 0.00 N ATOM 400 CA TYR A 24 -1.665 1.613 2.120 1.00 0.00 C ATOM 401 C TYR A 24 -3.016 2.015 2.745 1.00 0.00 C ATOM 402 O TYR A 24 -3.152 3.100 3.310 1.00 0.00 O ATOM 403 CB TYR A 24 -0.646 1.018 3.116 1.00 0.00 C ATOM 404 CG TYR A 24 -1.083 0.132 4.280 1.00 0.00 C ATOM 405 CD1 TYR A 24 -1.955 0.621 5.283 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.508 -1.152 4.435 1.00 0.00 C ATOM 407 CE1 TYR A 24 -2.279 -0.176 6.400 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.777 -1.919 5.589 1.00 0.00 C ATOM 409 CZ TYR A 24 -1.682 -1.443 6.560 1.00 0.00 C ATOM 410 OH TYR A 24 -1.975 -2.211 7.651 1.00 0.00 O ATOM 0 H TYR A 24 -1.384 3.646 1.989 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.884 0.828 1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.067 0.439 2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.099 1.857 3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.375 1.612 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.140 -1.547 3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.985 0.184 7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.289 -2.872 5.729 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.477 -3.053 7.601 1.00 0.00 H new ATOM 420 N TYR A 25 -4.001 1.108 2.671 1.00 0.00 N ATOM 421 CA TYR A 25 -5.378 1.275 3.146 1.00 0.00 C ATOM 422 C TYR A 25 -5.561 1.096 4.663 1.00 0.00 C ATOM 423 O TYR A 25 -5.314 0.005 5.179 1.00 0.00 O ATOM 424 CB TYR A 25 -6.244 0.239 2.401 1.00 0.00 C ATOM 425 CG TYR A 25 -7.695 0.136 2.852 1.00 0.00 C ATOM 426 CD1 TYR A 25 -8.509 1.287 2.848 1.00 0.00 C ATOM 427 CD2 TYR A 25 -8.241 -1.102 3.270 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.841 1.207 3.296 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.606 -1.198 3.612 1.00 0.00 C ATOM 430 CZ TYR A 25 -10.397 -0.034 3.665 1.00 0.00 C ATOM 431 OH TYR A 25 -11.701 -0.111 4.058 1.00 0.00 O ATOM 0 H TYR A 25 -3.848 0.189 2.255 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.673 2.304 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.231 0.480 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.779 -0.741 2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.111 2.229 2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.610 -1.976 3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.441 2.103 3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.043 -2.161 3.832 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.923 -1.040 4.276 1.00 0.00 H new ATOM 441 N ASN A 26 -6.034 2.149 5.366 1.00 0.00 N ATOM 442 CA ASN A 26 -6.309 2.116 6.801 1.00 0.00 C ATOM 443 C ASN A 26 -7.742 1.622 7.038 1.00 0.00 C ATOM 444 O ASN A 26 -8.677 2.171 6.452 1.00 0.00 O ATOM 445 CB ASN A 26 -6.229 3.524 7.418 1.00 0.00 C ATOM 446 CG ASN A 26 -5.092 4.382 6.882 1.00 0.00 C ATOM 447 OD1 ASN A 26 -5.387 5.078 5.784 1.00 0.00 O flip ATOM 448 ND2 ASN A 26 -3.996 4.413 7.438 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.235 3.053 4.938 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.568 1.459 7.256 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.172 4.040 7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.118 3.428 8.498 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.834 3.856 8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.249 4.996 7.061 1.00 0.00 H new ATOM 455 N GLN A 27 -7.926 0.606 7.892 1.00 0.00 N ATOM 456 CA GLN A 27 -9.245 0.086 8.245 1.00 0.00 C ATOM 457 C GLN A 27 -9.781 0.833 9.481 1.00 0.00 C ATOM 458 O GLN A 27 -10.276 0.200 10.414 1.00 0.00 O ATOM 459 CB GLN A 27 -9.173 -1.434 8.462 1.00 0.00 C ATOM 460 CG GLN A 27 -8.659 -2.141 7.201 1.00 0.00 C ATOM 461 CD GLN A 27 -9.052 -3.620 7.173 1.00 0.00 C ATOM 462 OE1 GLN A 27 -9.788 -4.053 6.289 1.00 0.00 O ATOM 463 NE2 GLN A 27 -8.569 -4.398 8.146 1.00 0.00 N ATOM 0 H GLN A 27 -7.158 0.123 8.357 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.945 0.258 7.428 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.515 -1.655 9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.160 -1.816 8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.059 -1.643 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.574 -2.053 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.961 -4.001 8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.809 -5.389 8.173 1.00 0.00 H new ATOM 472 N LYS A 28 -9.681 2.175 9.498 1.00 0.00 N ATOM 473 CA LYS A 28 -10.148 3.032 10.596 1.00 0.00 C ATOM 474 C LYS A 28 -10.791 4.280 9.997 1.00 0.00 C ATOM 475 O LYS A 28 -11.879 4.709 10.381 1.00 0.00 O ATOM 476 CB LYS A 28 -8.970 3.361 11.534 1.00 0.00 C ATOM 477 CG LYS A 28 -9.325 4.311 12.692 1.00 0.00 C ATOM 478 CD LYS A 28 -10.389 3.730 13.639 1.00 0.00 C ATOM 479 CE LYS A 28 -10.686 4.662 14.823 1.00 0.00 C ATOM 480 NZ LYS A 28 -9.528 4.816 15.723 1.00 0.00 N ATOM 0 H LYS A 28 -9.264 2.702 8.731 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.899 2.523 11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.581 2.431 11.949 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.168 3.808 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.423 4.535 13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.686 5.255 12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.308 3.549 13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.049 2.765 14.015 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.982 5.641 14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.532 4.269 15.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.820 5.326 16.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.165 3.877 15.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.781 5.353 15.239 1.00 0.00 H new ATOM 494 N LYS A 29 -10.059 4.830 9.038 1.00 0.00 N ATOM 495 CA LYS A 29 -10.340 5.985 8.203 1.00 0.00 C ATOM 496 C LYS A 29 -11.129 5.609 7.001 1.00 0.00 C ATOM 497 O LYS A 29 -11.975 6.368 6.518 1.00 0.00 O ATOM 498 CB LYS A 29 -8.991 6.522 7.768 1.00 0.00 C ATOM 499 CG LYS A 29 -9.178 7.708 6.819 1.00 0.00 C ATOM 500 CD LYS A 29 -7.987 8.665 6.761 1.00 0.00 C ATOM 501 CE LYS A 29 -6.714 8.017 6.207 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.658 9.020 5.986 1.00 0.00 N ATOM 0 H LYS A 29 -9.151 4.430 8.802 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.926 6.720 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.416 6.832 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.421 5.736 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.372 7.328 5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.063 8.266 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.249 9.523 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.786 9.045 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.358 7.257 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.940 7.510 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.993 8.671 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.087 9.909 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.148 9.189 6.876 1.00 0.00 H new ATOM 516 N LYS A 30 -10.740 4.452 6.500 1.00 0.00 N ATOM 517 CA LYS A 30 -11.390 3.826 5.398 1.00 0.00 C ATOM 518 C LYS A 30 -11.088 4.611 4.113 1.00 0.00 C ATOM 519 O LYS A 30 -11.983 5.087 3.416 1.00 0.00 O ATOM 520 CB LYS A 30 -12.856 3.681 5.861 1.00 0.00 C ATOM 521 CG LYS A 30 -12.970 2.528 6.874 1.00 0.00 C ATOM 522 CD LYS A 30 -14.403 1.990 7.021 1.00 0.00 C ATOM 523 CE LYS A 30 -14.891 1.173 5.815 1.00 0.00 C ATOM 524 NZ LYS A 30 -14.160 -0.098 5.671 1.00 0.00 N ATOM 0 H LYS A 30 -9.948 3.923 6.864 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.045 2.829 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.198 4.611 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.501 3.489 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.314 1.715 6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.616 2.871 7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.456 1.367 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.081 2.829 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.956 0.967 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.772 1.763 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.777 -0.804 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.316 0.052 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.870 -0.440 6.609 1.00 0.00 H new ATOM 538 N GLN A 31 -9.776 4.710 3.838 1.00 0.00 N ATOM 539 CA GLN A 31 -9.116 5.380 2.718 1.00 0.00 C ATOM 540 C GLN A 31 -7.619 5.008 2.770 1.00 0.00 C ATOM 541 O GLN A 31 -7.160 4.387 3.737 1.00 0.00 O ATOM 542 CB GLN A 31 -9.349 6.905 2.814 1.00 0.00 C ATOM 543 CG GLN A 31 -8.892 7.707 1.582 1.00 0.00 C ATOM 544 CD GLN A 31 -9.356 9.168 1.622 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.624 9.717 2.690 1.00 0.00 O ATOM 546 NE2 GLN A 31 -9.449 9.811 0.455 1.00 0.00 N ATOM 0 H GLN A 31 -9.090 4.279 4.458 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.525 5.060 1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.412 7.087 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.825 7.284 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.804 7.677 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.278 7.232 0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.220 9.328 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.749 10.785 0.432 1.00 0.00 H new ATOM 555 N CYS A 32 -6.849 5.361 1.728 1.00 0.00 N ATOM 556 CA CYS A 32 -5.429 5.071 1.651 1.00 0.00 C ATOM 557 C CYS A 32 -4.609 6.243 2.185 1.00 0.00 C ATOM 558 O CYS A 32 -4.729 7.374 1.712 1.00 0.00 O ATOM 559 CB CYS A 32 -5.024 4.772 0.202 1.00 0.00 C ATOM 560 SG CYS A 32 -3.843 3.436 -0.122 1.00 0.00 S ATOM 0 H CYS A 32 -7.209 5.860 0.914 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.228 4.194 2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.934 4.549 -0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.609 5.688 -0.219 1.00 0.00 H new ATOM 565 N GLU A 33 -3.794 5.939 3.193 1.00 0.00 N ATOM 566 CA GLU A 33 -2.826 6.820 3.824 1.00 0.00 C ATOM 567 C GLU A 33 -1.523 6.446 3.153 1.00 0.00 C ATOM 568 O GLU A 33 -1.357 5.369 2.595 1.00 0.00 O ATOM 569 CB GLU A 33 -2.737 6.564 5.326 1.00 0.00 C ATOM 570 CG GLU A 33 -1.519 6.905 6.170 1.00 0.00 C ATOM 571 CD GLU A 33 -1.221 8.404 6.245 1.00 0.00 C ATOM 572 OE1 GLU A 33 -2.105 9.139 6.738 1.00 0.00 O ATOM 573 OE2 GLU A 33 -0.115 8.791 5.809 1.00 0.00 O ATOM 0 H GLU A 33 -3.796 5.010 3.614 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.087 7.873 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.578 7.091 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.917 5.498 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.669 6.523 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.649 6.391 5.761 1.00 0.00 H new ATOM 580 N GLY A 34 -0.564 7.335 3.269 1.00 0.00 N ATOM 581 CA GLY A 34 0.733 7.107 2.644 1.00 0.00 C ATOM 582 C GLY A 34 1.619 6.216 3.506 1.00 0.00 C ATOM 583 O GLY A 34 1.637 6.409 4.723 1.00 0.00 O ATOM 0 H GLY A 34 -0.647 8.213 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.591 6.645 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.230 8.062 2.476 1.00 0.00 H new ATOM 587 N PHE A 35 2.352 5.256 2.908 1.00 0.00 N ATOM 588 CA PHE A 35 3.211 4.388 3.709 1.00 0.00 C ATOM 589 C PHE A 35 4.559 4.294 2.963 1.00 0.00 C ATOM 590 O PHE A 35 4.604 4.376 1.733 1.00 0.00 O ATOM 591 CB PHE A 35 2.548 3.010 3.962 1.00 0.00 C ATOM 592 CG PHE A 35 2.606 1.836 2.986 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.795 1.968 1.591 1.00 0.00 C ATOM 594 CD2 PHE A 35 2.591 0.535 3.555 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.197 0.843 0.835 1.00 0.00 C ATOM 596 CE2 PHE A 35 2.960 -0.591 2.794 1.00 0.00 C ATOM 597 CZ PHE A 35 3.318 -0.418 1.445 1.00 0.00 C ATOM 0 H PHE A 35 2.363 5.072 1.905 1.00 0.00 H new ATOM 0 HA PHE A 35 3.375 4.796 4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.960 2.643 4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.490 3.209 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.634 2.920 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.293 0.407 4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.412 0.953 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.968 -1.574 3.240 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.688 -1.258 0.875 1.00 0.00 H new ATOM 607 N THR A 36 5.675 4.145 3.690 1.00 0.00 N ATOM 608 CA THR A 36 7.005 4.071 3.084 1.00 0.00 C ATOM 609 C THR A 36 7.262 2.686 2.478 1.00 0.00 C ATOM 610 O THR A 36 7.016 1.673 3.135 1.00 0.00 O ATOM 611 CB THR A 36 8.090 4.398 4.130 1.00 0.00 C ATOM 612 OG1 THR A 36 7.873 5.692 4.661 1.00 0.00 O ATOM 613 CG2 THR A 36 9.490 4.357 3.491 1.00 0.00 C ATOM 0 H THR A 36 5.678 4.073 4.707 1.00 0.00 H new ATOM 0 HA THR A 36 7.048 4.808 2.282 1.00 0.00 H new ATOM 0 HB THR A 36 8.032 3.652 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.564 5.893 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.241 4.590 4.245 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.677 3.362 3.088 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.544 5.090 2.686 1.00 0.00 H new ATOM 621 N TRP A 37 7.764 2.651 1.231 1.00 0.00 N ATOM 622 CA TRP A 37 8.117 1.418 0.529 1.00 0.00 C ATOM 623 C TRP A 37 9.528 1.638 -0.049 1.00 0.00 C ATOM 624 O TRP A 37 9.745 2.630 -0.732 1.00 0.00 O ATOM 625 CB TRP A 37 7.048 1.072 -0.531 1.00 0.00 C ATOM 626 CG TRP A 37 7.536 0.141 -1.596 1.00 0.00 C ATOM 627 CD1 TRP A 37 8.066 -1.081 -1.384 1.00 0.00 C ATOM 628 CD2 TRP A 37 7.628 0.367 -3.031 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.709 -1.507 -2.529 1.00 0.00 N ATOM 630 CE2 TRP A 37 8.486 -0.634 -3.580 1.00 0.00 C ATOM 631 CE3 TRP A 37 7.128 1.353 -3.917 1.00 0.00 C ATOM 632 CZ2 TRP A 37 8.936 -0.571 -4.914 1.00 0.00 C ATOM 633 CZ3 TRP A 37 7.445 1.321 -5.292 1.00 0.00 C ATOM 634 CH2 TRP A 37 8.395 0.401 -5.779 1.00 0.00 C ATOM 0 H TRP A 37 7.936 3.493 0.681 1.00 0.00 H new ATOM 0 HA TRP A 37 8.137 0.551 1.190 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.188 0.623 -0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 37 6.700 1.994 -0.998 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.998 -1.639 -0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 37 9.274 -2.354 -2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.495 2.140 -3.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.688 -1.260 -5.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 6.958 2.004 -5.973 1.00 0.00 H new ATOM 0 HH2 TRP A 37 8.707 0.441 -6.812 1.00 0.00 H new ATOM 645 N SER A 38 10.493 0.736 0.206 1.00 0.00 N ATOM 646 CA SER A 38 11.874 0.867 -0.285 1.00 0.00 C ATOM 647 C SER A 38 11.964 0.738 -1.816 1.00 0.00 C ATOM 648 O SER A 38 10.958 0.548 -2.497 1.00 0.00 O ATOM 649 CB SER A 38 12.791 -0.166 0.400 1.00 0.00 C ATOM 650 OG SER A 38 12.625 -0.156 1.804 1.00 0.00 O ATOM 0 H SER A 38 10.335 -0.106 0.760 1.00 0.00 H new ATOM 0 HA SER A 38 12.213 1.870 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.572 -1.161 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.831 0.049 0.154 1.00 0.00 H new ATOM 0 HG SER A 38 12.890 -1.025 2.171 1.00 0.00 H new ATOM 656 N GLY A 39 13.186 0.857 -2.358 1.00 0.00 N ATOM 657 CA GLY A 39 13.484 0.751 -3.784 1.00 0.00 C ATOM 658 C GLY A 39 12.921 -0.519 -4.432 1.00 0.00 C ATOM 659 O GLY A 39 12.466 -0.480 -5.575 1.00 0.00 O ATOM 0 H GLY A 39 14.016 1.035 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.078 1.622 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.565 0.773 -3.924 1.00 0.00 H new ATOM 663 N CYS A 40 12.950 -1.634 -3.689 1.00 0.00 N ATOM 664 CA CYS A 40 12.486 -2.950 -4.101 1.00 0.00 C ATOM 665 C CYS A 40 12.123 -3.789 -2.863 1.00 0.00 C ATOM 666 O CYS A 40 12.430 -3.414 -1.729 1.00 0.00 O ATOM 667 CB CYS A 40 13.557 -3.612 -4.995 1.00 0.00 C ATOM 668 SG CYS A 40 15.236 -3.933 -4.345 1.00 0.00 S ATOM 0 H CYS A 40 13.318 -1.634 -2.738 1.00 0.00 H new ATOM 0 HA CYS A 40 11.577 -2.869 -4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.152 -4.568 -5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.669 -2.987 -5.881 1.00 0.00 H new ATOM 673 N GLY A 41 11.436 -4.921 -3.080 1.00 0.00 N ATOM 674 CA GLY A 41 11.000 -5.830 -2.024 1.00 0.00 C ATOM 675 C GLY A 41 9.674 -5.361 -1.407 1.00 0.00 C ATOM 676 O GLY A 41 9.539 -4.188 -1.056 1.00 0.00 O ATOM 0 H GLY A 41 11.166 -5.230 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.881 -6.835 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.765 -5.888 -1.250 1.00 0.00 H new ATOM 680 N GLY A 42 8.699 -6.275 -1.278 1.00 0.00 N ATOM 681 CA GLY A 42 7.381 -6.008 -0.707 1.00 0.00 C ATOM 682 C GLY A 42 6.268 -6.767 -1.435 1.00 0.00 C ATOM 683 O GLY A 42 6.347 -6.979 -2.646 1.00 0.00 O ATOM 0 H GLY A 42 8.814 -7.243 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.380 -6.288 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.178 -4.938 -0.752 1.00 0.00 H new ATOM 687 N ASN A 43 5.218 -7.149 -0.689 1.00 0.00 N ATOM 688 CA ASN A 43 4.079 -7.907 -1.213 1.00 0.00 C ATOM 689 C ASN A 43 3.045 -7.064 -1.967 1.00 0.00 C ATOM 690 O ASN A 43 3.352 -6.706 -3.106 1.00 0.00 O ATOM 691 CB ASN A 43 3.478 -8.817 -0.146 1.00 0.00 C ATOM 692 CG ASN A 43 4.495 -9.796 0.454 1.00 0.00 C ATOM 693 OD1 ASN A 43 4.570 -10.950 0.036 1.00 0.00 O ATOM 694 ND2 ASN A 43 5.282 -9.344 1.434 1.00 0.00 N ATOM 0 H ASN A 43 5.139 -6.936 0.305 1.00 0.00 H new ATOM 0 HA ASN A 43 4.480 -8.556 -1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.059 -8.204 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.653 -9.381 -0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.972 -9.962 1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.193 -8.380 1.756 1.00 0.00 H new ATOM 701 N SER A 44 1.860 -6.739 -1.399 1.00 0.00 N ATOM 702 CA SER A 44 0.843 -6.032 -2.203 1.00 0.00 C ATOM 703 C SER A 44 0.103 -4.755 -1.730 1.00 0.00 C ATOM 704 O SER A 44 -0.381 -4.099 -2.658 1.00 0.00 O ATOM 705 CB SER A 44 -0.222 -7.072 -2.553 1.00 0.00 C ATOM 706 OG SER A 44 0.317 -8.246 -3.132 1.00 0.00 O ATOM 0 H SER A 44 1.595 -6.943 -0.436 1.00 0.00 H new ATOM 0 HA SER A 44 1.461 -5.606 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.771 -7.339 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.940 -6.630 -3.244 1.00 0.00 H new ATOM 0 HG SER A 44 -0.174 -8.461 -3.953 1.00 0.00 H new ATOM 712 N ASN A 45 -0.060 -4.322 -0.449 1.00 0.00 N ATOM 713 CA ASN A 45 -0.847 -3.079 -0.222 1.00 0.00 C ATOM 714 C ASN A 45 -0.132 -1.756 -0.568 1.00 0.00 C ATOM 715 O ASN A 45 -0.341 -0.737 0.083 1.00 0.00 O ATOM 716 CB ASN A 45 -1.489 -3.065 1.178 1.00 0.00 C ATOM 717 CG ASN A 45 -2.607 -2.034 1.381 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.984 -1.818 2.640 1.00 0.00 O flip ATOM 719 ND2 ASN A 45 -3.149 -1.470 0.432 1.00 0.00 N flip ATOM 0 H ASN A 45 0.312 -4.776 0.385 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.646 -3.123 -0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.891 -4.057 1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.708 -2.878 1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.835 -1.658 -0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.912 -0.814 0.597 1.00 0.00 H new ATOM 726 N ARG A 46 0.736 -1.786 -1.582 1.00 0.00 N ATOM 727 CA ARG A 46 1.494 -0.684 -2.148 1.00 0.00 C ATOM 728 C ARG A 46 0.702 -0.071 -3.302 1.00 0.00 C ATOM 729 O ARG A 46 0.534 -0.727 -4.332 1.00 0.00 O ATOM 730 CB ARG A 46 2.840 -1.253 -2.583 1.00 0.00 C ATOM 731 CG ARG A 46 3.894 -0.246 -3.085 1.00 0.00 C ATOM 732 CD ARG A 46 3.631 0.339 -4.481 1.00 0.00 C ATOM 733 NE ARG A 46 3.369 -0.703 -5.482 1.00 0.00 N ATOM 734 CZ ARG A 46 4.279 -1.531 -6.028 1.00 0.00 C ATOM 735 NH1 ARG A 46 5.578 -1.468 -5.692 1.00 0.00 N ATOM 736 NH2 ARG A 46 3.878 -2.443 -6.924 1.00 0.00 N ATOM 0 H ARG A 46 0.939 -2.661 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 46 1.667 0.120 -1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.266 -1.798 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.661 -1.980 -3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.957 0.575 -2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.867 -0.737 -3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.779 1.017 -4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.492 0.931 -4.793 1.00 0.00 H new ATOM 0 HE ARG A 46 2.404 -0.810 -5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.895 -0.781 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.247 -2.107 -6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.894 -2.504 -7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.557 -3.077 -7.346 1.00 0.00 H new ATOM 750 N PHE A 47 0.236 1.176 -3.158 1.00 0.00 N ATOM 751 CA PHE A 47 -0.525 1.891 -4.152 1.00 0.00 C ATOM 752 C PHE A 47 0.050 3.301 -4.308 1.00 0.00 C ATOM 753 O PHE A 47 0.372 3.952 -3.319 1.00 0.00 O ATOM 754 CB PHE A 47 -1.965 1.887 -3.652 1.00 0.00 C ATOM 755 CG PHE A 47 -2.649 0.563 -3.946 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.129 0.287 -5.247 1.00 0.00 C ATOM 757 CD2 PHE A 47 -2.737 -0.427 -2.941 1.00 0.00 C ATOM 758 CE1 PHE A 47 -3.683 -0.976 -5.544 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.248 -1.703 -3.252 1.00 0.00 C ATOM 760 CZ PHE A 47 -3.732 -1.975 -4.549 1.00 0.00 C ATOM 0 H PHE A 47 0.392 1.721 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.481 1.435 -5.141 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.980 2.076 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.519 2.698 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.071 1.044 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.413 -0.206 -1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.069 -1.178 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.269 -2.474 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.140 -2.948 -4.780 1.00 0.00 H new ATOM 770 N LYS A 48 0.176 3.767 -5.556 1.00 0.00 N ATOM 771 CA LYS A 48 0.712 5.054 -5.945 1.00 0.00 C ATOM 772 C LYS A 48 -0.284 6.185 -5.660 1.00 0.00 C ATOM 773 O LYS A 48 0.109 7.197 -5.081 1.00 0.00 O ATOM 774 CB LYS A 48 1.063 4.972 -7.441 1.00 0.00 C ATOM 775 CG LYS A 48 2.398 4.263 -7.747 1.00 0.00 C ATOM 776 CD LYS A 48 2.464 2.765 -7.400 1.00 0.00 C ATOM 777 CE LYS A 48 1.461 1.918 -8.199 1.00 0.00 C ATOM 778 NZ LYS A 48 1.552 0.492 -7.844 1.00 0.00 N ATOM 0 H LYS A 48 -0.114 3.213 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 48 1.604 5.285 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.261 4.449 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.101 5.982 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.612 4.379 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.191 4.776 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.473 2.398 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.273 2.636 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.449 2.277 -8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.649 2.041 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.975 -0.068 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.543 0.182 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.202 0.353 -6.875 1.00 0.00 H new ATOM 792 N THR A 49 -1.549 6.032 -6.082 1.00 0.00 N ATOM 793 CA THR A 49 -2.615 7.015 -5.871 1.00 0.00 C ATOM 794 C THR A 49 -3.716 6.383 -5.002 1.00 0.00 C ATOM 795 O THR A 49 -3.900 5.165 -4.980 1.00 0.00 O ATOM 796 CB THR A 49 -3.133 7.567 -7.218 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.244 6.552 -8.191 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.184 8.647 -7.758 1.00 0.00 C ATOM 0 H THR A 49 -1.862 5.204 -6.589 1.00 0.00 H new ATOM 0 HA THR A 49 -2.229 7.880 -5.332 1.00 0.00 H new ATOM 0 HB THR A 49 -4.120 7.989 -7.027 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.090 6.654 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.565 9.024 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.120 9.466 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.193 8.218 -7.909 1.00 0.00 H new ATOM 806 N ILE A 50 -4.443 7.241 -4.274 1.00 0.00 N ATOM 807 CA ILE A 50 -5.511 6.885 -3.339 1.00 0.00 C ATOM 808 C ILE A 50 -6.751 6.275 -4.003 1.00 0.00 C ATOM 809 O ILE A 50 -7.452 5.475 -3.387 1.00 0.00 O ATOM 810 CB ILE A 50 -5.877 8.137 -2.495 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.636 8.681 -1.747 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.988 7.814 -1.476 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.901 9.985 -0.980 1.00 0.00 C ATOM 0 H ILE A 50 -4.293 8.249 -4.326 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.128 6.093 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.241 8.899 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.283 7.923 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.834 8.849 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.224 8.708 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.880 7.477 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.647 7.028 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.987 10.306 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.224 10.758 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.680 9.818 -0.237 1.00 0.00 H new ATOM 825 N GLU A 51 -7.012 6.617 -5.261 1.00 0.00 N ATOM 826 CA GLU A 51 -8.172 6.141 -6.010 1.00 0.00 C ATOM 827 C GLU A 51 -7.939 4.696 -6.395 1.00 0.00 C ATOM 828 O GLU A 51 -8.753 3.816 -6.145 1.00 0.00 O ATOM 829 CB GLU A 51 -8.361 7.052 -7.230 1.00 0.00 C ATOM 830 CG GLU A 51 -8.516 8.525 -6.819 1.00 0.00 C ATOM 831 CD GLU A 51 -9.954 8.864 -6.424 1.00 0.00 C ATOM 832 OE1 GLU A 51 -10.294 8.618 -5.245 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.692 9.355 -7.306 1.00 0.00 O ATOM 0 H GLU A 51 -6.413 7.244 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.085 6.180 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.506 6.948 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.242 6.735 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.851 8.739 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.207 9.166 -7.645 1.00 0.00 H new ATOM 840 N GLU A 52 -6.770 4.513 -6.989 1.00 0.00 N ATOM 841 CA GLU A 52 -6.139 3.287 -7.435 1.00 0.00 C ATOM 842 C GLU A 52 -6.061 2.296 -6.269 1.00 0.00 C ATOM 843 O GLU A 52 -6.165 1.087 -6.473 1.00 0.00 O ATOM 844 CB GLU A 52 -4.752 3.706 -7.960 1.00 0.00 C ATOM 845 CG GLU A 52 -4.768 3.968 -9.476 1.00 0.00 C ATOM 846 CD GLU A 52 -5.806 5.018 -9.895 1.00 0.00 C ATOM 847 OE1 GLU A 52 -5.454 6.217 -9.876 1.00 0.00 O ATOM 848 OE2 GLU A 52 -6.939 4.604 -10.224 1.00 0.00 O ATOM 0 H GLU A 52 -6.175 5.316 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.696 2.778 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.423 4.606 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.027 2.924 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.778 4.298 -9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.974 3.034 -9.998 1.00 0.00 H new ATOM 855 N CYS A 53 -5.876 2.817 -5.047 1.00 0.00 N ATOM 856 CA CYS A 53 -5.857 2.044 -3.823 1.00 0.00 C ATOM 857 C CYS A 53 -7.288 1.579 -3.587 1.00 0.00 C ATOM 858 O CYS A 53 -7.546 0.377 -3.593 1.00 0.00 O ATOM 859 CB CYS A 53 -5.366 2.913 -2.662 1.00 0.00 C ATOM 860 SG CYS A 53 -4.914 2.032 -1.143 1.00 0.00 S ATOM 0 H CYS A 53 -5.733 3.815 -4.892 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.181 1.192 -3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.499 3.480 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.145 3.636 -2.421 1.00 0.00 H new ATOM 865 N ARG A 54 -8.210 2.548 -3.454 1.00 0.00 N ATOM 866 CA ARG A 54 -9.626 2.273 -3.204 1.00 0.00 C ATOM 867 C ARG A 54 -10.299 1.391 -4.276 1.00 0.00 C ATOM 868 O ARG A 54 -11.277 0.721 -3.952 1.00 0.00 O ATOM 869 CB ARG A 54 -10.402 3.580 -2.990 1.00 0.00 C ATOM 870 CG ARG A 54 -9.996 4.268 -1.672 1.00 0.00 C ATOM 871 CD ARG A 54 -11.024 5.326 -1.253 1.00 0.00 C ATOM 872 NE ARG A 54 -10.814 6.590 -1.976 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.272 7.798 -1.600 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.003 7.953 -0.484 1.00 0.00 N ATOM 875 NH2 ARG A 54 -10.990 8.870 -2.354 1.00 0.00 N ATOM 0 H ARG A 54 -7.990 3.542 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.658 1.683 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.218 4.255 -3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.472 3.372 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.899 3.521 -0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.018 4.735 -1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.030 4.956 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.951 5.502 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.273 6.547 -2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.222 7.145 0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.339 8.879 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.434 8.765 -3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.332 9.791 -2.079 1.00 0.00 H new ATOM 889 N ARG A 55 -9.818 1.355 -5.530 1.00 0.00 N ATOM 890 CA ARG A 55 -10.391 0.519 -6.584 1.00 0.00 C ATOM 891 C ARG A 55 -10.505 -0.967 -6.198 1.00 0.00 C ATOM 892 O ARG A 55 -11.450 -1.648 -6.595 1.00 0.00 O ATOM 893 CB ARG A 55 -9.467 0.631 -7.803 1.00 0.00 C ATOM 894 CG ARG A 55 -9.773 1.889 -8.627 1.00 0.00 C ATOM 895 CD ARG A 55 -10.923 1.666 -9.617 1.00 0.00 C ATOM 896 NE ARG A 55 -11.236 2.902 -10.349 1.00 0.00 N ATOM 897 CZ ARG A 55 -12.332 3.115 -11.100 1.00 0.00 C ATOM 898 NH1 ARG A 55 -13.267 2.164 -11.257 1.00 0.00 N ATOM 899 NH2 ARG A 55 -12.494 4.301 -11.703 1.00 0.00 N ATOM 0 H ARG A 55 -9.018 1.909 -5.836 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.404 0.872 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.429 0.655 -7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.582 -0.253 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.028 2.709 -7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.879 2.190 -9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.653 0.880 -10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.808 1.323 -9.081 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.563 3.665 -10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.154 1.258 -10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.090 2.348 -11.831 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.790 5.031 -11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.321 4.474 -12.275 1.00 0.00 H new ATOM 913 N THR A 56 -9.518 -1.445 -5.435 1.00 0.00 N ATOM 914 CA THR A 56 -9.347 -2.814 -4.960 1.00 0.00 C ATOM 915 C THR A 56 -9.431 -2.911 -3.427 1.00 0.00 C ATOM 916 O THR A 56 -9.758 -3.981 -2.920 1.00 0.00 O ATOM 917 CB THR A 56 -7.989 -3.332 -5.492 1.00 0.00 C ATOM 918 OG1 THR A 56 -7.950 -3.214 -6.903 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.733 -4.805 -5.142 1.00 0.00 C ATOM 0 H THR A 56 -8.765 -0.838 -5.112 1.00 0.00 H new ATOM 0 HA THR A 56 -10.159 -3.436 -5.337 1.00 0.00 H new ATOM 0 HB THR A 56 -7.221 -2.723 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.088 -3.541 -7.235 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.766 -5.111 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.733 -4.927 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.518 -5.424 -5.577 1.00 0.00 H new ATOM 927 N CYS A 57 -9.134 -1.834 -2.679 1.00 0.00 N ATOM 928 CA CYS A 57 -9.162 -1.777 -1.231 1.00 0.00 C ATOM 929 C CYS A 57 -10.548 -1.410 -0.700 1.00 0.00 C ATOM 930 O CYS A 57 -10.842 -1.693 0.461 1.00 0.00 O ATOM 931 CB CYS A 57 -8.094 -0.779 -0.778 1.00 0.00 C ATOM 932 SG CYS A 57 -6.336 -1.235 -0.963 1.00 0.00 S ATOM 0 H CYS A 57 -8.857 -0.947 -3.099 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.943 -2.763 -0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.255 0.149 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.270 -0.561 0.275 1.00 0.00 H new ATOM 937 N ILE A 58 -11.375 -0.774 -1.538 1.00 0.00 N ATOM 938 CA ILE A 58 -12.757 -0.394 -1.217 1.00 0.00 C ATOM 939 C ILE A 58 -13.686 -1.175 -2.163 1.00 0.00 C ATOM 940 O ILE A 58 -13.267 -1.696 -3.199 1.00 0.00 O ATOM 941 CB ILE A 58 -13.026 1.122 -1.282 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.999 1.918 -0.463 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.416 1.501 -0.733 1.00 0.00 C ATOM 944 CD1 ILE A 58 -12.056 1.759 1.046 1.00 0.00 C ATOM 0 H ILE A 58 -11.096 -0.503 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.950 -0.653 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.960 1.372 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.002 1.631 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.123 2.975 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.553 2.580 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.187 0.999 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.492 1.192 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.281 2.372 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.033 2.078 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.895 0.713 1.308 1.00 0.00 H new ATOM 956 N ARG A 59 -14.966 -1.248 -1.787 1.00 0.00 N ATOM 957 CA ARG A 59 -16.036 -1.924 -2.499 1.00 0.00 C ATOM 958 C ARG A 59 -16.616 -0.958 -3.540 1.00 0.00 C ATOM 959 O ARG A 59 -17.381 -0.057 -3.195 1.00 0.00 O ATOM 960 CB ARG A 59 -17.082 -2.389 -1.471 1.00 0.00 C ATOM 961 CG ARG A 59 -18.340 -3.008 -2.088 1.00 0.00 C ATOM 962 CD ARG A 59 -18.036 -4.236 -2.961 1.00 0.00 C ATOM 963 NE ARG A 59 -19.266 -4.905 -3.411 1.00 0.00 N ATOM 964 CZ ARG A 59 -20.081 -4.485 -4.396 1.00 0.00 C ATOM 965 NH1 ARG A 59 -19.827 -3.361 -5.085 1.00 0.00 N ATOM 966 NH2 ARG A 59 -21.172 -5.204 -4.696 1.00 0.00 N ATOM 0 H ARG A 59 -15.294 -0.809 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 59 -15.679 -2.805 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.621 -3.119 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.374 -1.537 -0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.026 -3.296 -1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.850 -2.257 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.451 -3.929 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.425 -4.940 -2.397 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.525 -5.767 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.001 -2.804 -4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.460 -3.064 -5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -21.377 -6.059 -4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.797 -4.896 -5.441 1.00 0.00 H new ATOM 980 N LYS A 60 -16.241 -1.150 -4.813 1.00 0.00 N ATOM 981 CA LYS A 60 -16.679 -0.344 -5.947 1.00 0.00 C ATOM 982 C LYS A 60 -17.986 -0.929 -6.497 1.00 0.00 C ATOM 983 O LYS A 60 -17.916 -1.999 -7.143 1.00 0.00 O ATOM 984 CB LYS A 60 -15.574 -0.312 -7.022 1.00 0.00 C ATOM 985 CG LYS A 60 -14.228 0.247 -6.527 1.00 0.00 C ATOM 986 CD LYS A 60 -14.248 1.663 -5.921 1.00 0.00 C ATOM 987 CE LYS A 60 -14.599 2.781 -6.917 1.00 0.00 C ATOM 988 NZ LYS A 60 -16.051 2.935 -7.121 1.00 0.00 N ATOM 989 OXT LYS A 60 -19.041 -0.305 -6.251 1.00 0.00 O ATOM 0 H LYS A 60 -15.603 -1.898 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 60 -16.864 0.683 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.419 -1.323 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.918 0.291 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.830 -0.438 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.530 0.245 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.968 1.684 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.269 1.873 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.186 3.723 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.123 2.570 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.266 3.927 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.358 2.326 -7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.554 2.661 -6.253 1.00 0.00 H new TER 1003 LYS A 60