USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=16 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 26 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.6) USER MOD Set 2.1: A 12 ASN : amide:sc= -0.697 K(o=-0.7,f=-1.7) USER MOD Set 2.2: A 43 ASN : amide:sc= 0 K(o=-0.7,f=-2) USER MOD Set 3.1: A 10 HIS : no HE2:sc= 0.0155 K(o=-0.035,f=-1.3) USER MOD Set 3.2: A 27 GLN : amide:sc= -0.0509 K(o=-0.035,f=-1.9!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -145:sc= -0.11 (180deg=-1.11) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0152) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 0.156 (180deg=0.0031) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.13 (180deg=-0.411) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.393 F(o=-1.4,f=-0.39) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00988) USER MOD Single : A 49 THR OG1 : rot -145:sc= -0.147 USER MOD Single : A 56 THR OG1 : rot -61:sc= 0.517 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00791) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -9.416 -7.011 -9.521 1.00 0.00 N ATOM 2 CA GLN A 1 -10.073 -5.690 -9.498 1.00 0.00 C ATOM 3 C GLN A 1 -10.726 -5.397 -8.129 1.00 0.00 C ATOM 4 O GLN A 1 -10.252 -4.477 -7.464 1.00 0.00 O ATOM 5 CB GLN A 1 -11.027 -5.531 -10.698 1.00 0.00 C ATOM 6 CG GLN A 1 -11.750 -4.173 -10.696 1.00 0.00 C ATOM 7 CD GLN A 1 -12.604 -3.983 -11.952 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.260 -3.194 -12.830 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.725 -4.705 -12.041 1.00 0.00 N ATOM 0 H1 GLN A 1 -8.560 -6.963 -10.110 1.00 0.00 H new ATOM 0 H2 GLN A 1 -9.155 -7.286 -8.553 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.069 -7.717 -9.917 1.00 0.00 H new ATOM 0 HA GLN A 1 -9.311 -4.920 -9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.462 -5.638 -11.624 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -11.765 -6.333 -10.681 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.383 -4.099 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.016 -3.370 -10.631 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.977 -5.350 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -14.328 -4.611 -12.858 1.00 0.00 H new ATOM 20 N PRO A 2 -11.778 -6.113 -7.667 1.00 0.00 N ATOM 21 CA PRO A 2 -12.414 -5.853 -6.369 1.00 0.00 C ATOM 22 C PRO A 2 -11.531 -6.259 -5.171 1.00 0.00 C ATOM 23 O PRO A 2 -10.472 -6.865 -5.335 1.00 0.00 O ATOM 24 CB PRO A 2 -13.734 -6.639 -6.397 1.00 0.00 C ATOM 25 CG PRO A 2 -13.409 -7.813 -7.317 1.00 0.00 C ATOM 26 CD PRO A 2 -12.527 -7.147 -8.372 1.00 0.00 C ATOM 0 HA PRO A 2 -12.578 -4.785 -6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.027 -6.974 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.555 -6.037 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.886 -8.612 -6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.307 -8.252 -7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.855 -7.871 -8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.130 -6.717 -9.171 1.00 0.00 H new ATOM 34 N LEU A 3 -11.997 -5.915 -3.959 1.00 0.00 N ATOM 35 CA LEU A 3 -11.358 -6.160 -2.662 1.00 0.00 C ATOM 36 C LEU A 3 -10.914 -7.619 -2.466 1.00 0.00 C ATOM 37 O LEU A 3 -11.586 -8.550 -2.908 1.00 0.00 O ATOM 38 CB LEU A 3 -12.286 -5.684 -1.513 1.00 0.00 C ATOM 39 CG LEU A 3 -13.618 -6.419 -1.230 1.00 0.00 C ATOM 40 CD1 LEU A 3 -14.404 -6.811 -2.489 1.00 0.00 C ATOM 41 CD2 LEU A 3 -13.451 -7.627 -0.293 1.00 0.00 C ATOM 0 H LEU A 3 -12.887 -5.427 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.439 -5.574 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.701 -5.711 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.529 -4.639 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.221 -5.673 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.323 -7.321 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.650 -5.915 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.798 -7.476 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.420 -8.100 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.766 -8.345 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.048 -7.293 0.663 1.00 0.00 H new ATOM 53 N ARG A 4 -9.756 -7.803 -1.811 1.00 0.00 N ATOM 54 CA ARG A 4 -9.150 -9.093 -1.510 1.00 0.00 C ATOM 55 C ARG A 4 -8.140 -9.010 -0.359 1.00 0.00 C ATOM 56 O ARG A 4 -7.857 -7.934 0.167 1.00 0.00 O ATOM 57 CB ARG A 4 -8.543 -9.671 -2.791 1.00 0.00 C ATOM 58 CG ARG A 4 -7.490 -8.809 -3.502 1.00 0.00 C ATOM 59 CD ARG A 4 -7.318 -9.265 -4.960 1.00 0.00 C ATOM 60 NE ARG A 4 -8.542 -9.035 -5.740 1.00 0.00 N ATOM 61 CZ ARG A 4 -8.839 -9.577 -6.933 1.00 0.00 C ATOM 62 NH1 ARG A 4 -7.966 -10.359 -7.587 1.00 0.00 N ATOM 63 NH2 ARG A 4 -10.038 -9.328 -7.476 1.00 0.00 N ATOM 0 H ARG A 4 -9.201 -7.020 -1.466 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.924 -9.774 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.090 -10.632 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.353 -9.868 -3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.790 -7.762 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.537 -8.881 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.487 -8.726 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.063 -10.324 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.233 -8.403 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.052 -10.554 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.217 -10.758 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.707 -8.736 -6.984 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.282 -9.731 -8.381 1.00 0.00 H new ATOM 77 N LYS A 5 -7.599 -10.178 0.025 1.00 0.00 N ATOM 78 CA LYS A 5 -6.650 -10.352 1.123 1.00 0.00 C ATOM 79 C LYS A 5 -5.345 -9.567 1.003 1.00 0.00 C ATOM 80 O LYS A 5 -4.643 -9.430 2.006 1.00 0.00 O ATOM 81 CB LYS A 5 -6.389 -11.851 1.359 1.00 0.00 C ATOM 82 CG LYS A 5 -7.663 -12.592 1.796 1.00 0.00 C ATOM 83 CD LYS A 5 -7.369 -14.072 2.089 1.00 0.00 C ATOM 84 CE LYS A 5 -8.607 -14.820 2.605 1.00 0.00 C ATOM 85 NZ LYS A 5 -9.680 -14.892 1.597 1.00 0.00 N ATOM 0 H LYS A 5 -7.823 -11.057 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.133 -9.913 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.003 -12.301 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.620 -11.970 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.077 -12.117 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.418 -12.516 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.007 -14.555 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.570 -14.142 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.321 -15.830 2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.984 -14.321 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.466 -15.463 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.020 -13.933 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.312 -15.331 0.729 1.00 0.00 H new ATOM 99 N LEU A 6 -5.010 -9.046 -0.184 1.00 0.00 N ATOM 100 CA LEU A 6 -3.813 -8.222 -0.347 1.00 0.00 C ATOM 101 C LEU A 6 -3.945 -6.931 0.469 1.00 0.00 C ATOM 102 O LEU A 6 -2.945 -6.362 0.902 1.00 0.00 O ATOM 103 CB LEU A 6 -3.532 -7.916 -1.830 1.00 0.00 C ATOM 104 CG LEU A 6 -4.525 -6.957 -2.534 1.00 0.00 C ATOM 105 CD1 LEU A 6 -4.177 -5.465 -2.371 1.00 0.00 C ATOM 106 CD2 LEU A 6 -4.546 -7.252 -4.042 1.00 0.00 C ATOM 0 H LEU A 6 -5.549 -9.181 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.960 -8.786 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.532 -7.490 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.520 -8.858 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.489 -7.135 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.919 -4.859 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.175 -5.205 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.191 -5.273 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.245 -6.576 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.548 -7.106 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.860 -8.283 -4.207 1.00 0.00 H new ATOM 118 N CYS A 7 -5.195 -6.502 0.692 1.00 0.00 N ATOM 119 CA CYS A 7 -5.541 -5.289 1.432 1.00 0.00 C ATOM 120 C CYS A 7 -5.258 -5.433 2.938 1.00 0.00 C ATOM 121 O CYS A 7 -5.079 -4.423 3.620 1.00 0.00 O ATOM 122 CB CYS A 7 -7.007 -4.937 1.148 1.00 0.00 C ATOM 123 SG CYS A 7 -7.360 -4.601 -0.605 1.00 0.00 S ATOM 0 H CYS A 7 -6.014 -7.006 0.351 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.908 -4.469 1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.639 -5.759 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.281 -4.062 1.738 1.00 0.00 H new ATOM 128 N ILE A 8 -5.192 -6.673 3.448 1.00 0.00 N ATOM 129 CA ILE A 8 -4.914 -6.998 4.844 1.00 0.00 C ATOM 130 C ILE A 8 -3.400 -6.910 5.126 1.00 0.00 C ATOM 131 O ILE A 8 -3.017 -6.679 6.272 1.00 0.00 O ATOM 132 CB ILE A 8 -5.459 -8.414 5.165 1.00 0.00 C ATOM 133 CG1 ILE A 8 -6.954 -8.578 4.803 1.00 0.00 C ATOM 134 CG2 ILE A 8 -5.252 -8.762 6.652 1.00 0.00 C ATOM 135 CD1 ILE A 8 -7.912 -7.649 5.559 1.00 0.00 C ATOM 0 H ILE A 8 -5.337 -7.503 2.873 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.415 -6.276 5.489 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.888 -9.104 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.074 -8.406 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.247 -9.610 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.643 -9.760 6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.188 -8.736 6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.778 -8.037 7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.935 -7.840 5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.829 -7.834 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.653 -6.611 5.349 1.00 0.00 H new ATOM 147 N LEU A 9 -2.539 -7.065 4.102 1.00 0.00 N ATOM 148 CA LEU A 9 -1.081 -7.017 4.232 1.00 0.00 C ATOM 149 C LEU A 9 -0.520 -5.612 4.511 1.00 0.00 C ATOM 150 O LEU A 9 0.673 -5.491 4.788 1.00 0.00 O ATOM 151 CB LEU A 9 -0.429 -7.580 2.951 1.00 0.00 C ATOM 152 CG LEU A 9 -0.916 -8.980 2.525 1.00 0.00 C ATOM 153 CD1 LEU A 9 -0.214 -9.389 1.220 1.00 0.00 C ATOM 154 CD2 LEU A 9 -0.659 -10.036 3.610 1.00 0.00 C ATOM 0 H LEU A 9 -2.850 -7.230 3.145 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.835 -7.626 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.614 -6.884 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.650 -7.618 3.099 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.994 -8.927 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.557 -10.378 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.451 -8.668 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.864 -9.411 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.018 -11.006 3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.410 -10.096 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.186 -9.756 4.522 1.00 0.00 H new ATOM 166 N HIS A 10 -1.356 -4.564 4.439 1.00 0.00 N ATOM 167 CA HIS A 10 -0.986 -3.161 4.654 1.00 0.00 C ATOM 168 C HIS A 10 0.140 -2.770 3.674 1.00 0.00 C ATOM 169 O HIS A 10 0.237 -3.346 2.590 1.00 0.00 O ATOM 170 CB HIS A 10 -0.609 -2.931 6.134 1.00 0.00 C ATOM 171 CG HIS A 10 -1.697 -3.311 7.108 1.00 0.00 C ATOM 172 ND1 HIS A 10 -1.608 -4.461 7.893 1.00 0.00 N ATOM 173 CD2 HIS A 10 -2.878 -2.673 7.386 1.00 0.00 C ATOM 174 CE1 HIS A 10 -2.733 -4.469 8.612 1.00 0.00 C ATOM 175 NE2 HIS A 10 -3.525 -3.418 8.348 1.00 0.00 N ATOM 0 H HIS A 10 -2.346 -4.678 4.221 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.835 -2.509 4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.288 -3.506 6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.359 -1.880 6.276 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -0.851 -5.144 7.913 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.234 -1.758 6.936 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.979 -5.238 9.329 1.00 0.00 H new ATOM 183 N ARG A 11 0.993 -1.797 4.026 1.00 0.00 N ATOM 184 CA ARG A 11 2.106 -1.348 3.219 1.00 0.00 C ATOM 185 C ARG A 11 3.098 -2.491 2.959 1.00 0.00 C ATOM 186 O ARG A 11 3.211 -3.416 3.766 1.00 0.00 O ATOM 187 CB ARG A 11 2.761 -0.161 3.931 1.00 0.00 C ATOM 188 CG ARG A 11 3.560 -0.436 5.213 1.00 0.00 C ATOM 189 CD ARG A 11 2.675 -0.831 6.403 1.00 0.00 C ATOM 190 NE ARG A 11 3.426 -0.828 7.665 1.00 0.00 N ATOM 191 CZ ARG A 11 2.907 -1.116 8.873 1.00 0.00 C ATOM 192 NH1 ARG A 11 1.609 -1.433 9.017 1.00 0.00 N ATOM 193 NH2 ARG A 11 3.700 -1.087 9.953 1.00 0.00 N ATOM 0 H ARG A 11 0.913 -1.294 4.910 1.00 0.00 H new ATOM 0 HA ARG A 11 1.756 -1.027 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.429 0.327 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.977 0.556 4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.278 -1.233 5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.133 0.454 5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.836 -0.139 6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.256 -1.823 6.231 1.00 0.00 H new ATOM 0 HE ARG A 11 4.417 -0.589 7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.997 -1.459 8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.236 -1.648 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.687 -0.848 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.317 -1.304 10.873 1.00 0.00 H new ATOM 207 N ASN A 12 3.814 -2.417 1.827 1.00 0.00 N ATOM 208 CA ASN A 12 4.780 -3.430 1.400 1.00 0.00 C ATOM 209 C ASN A 12 6.133 -2.794 1.030 1.00 0.00 C ATOM 210 O ASN A 12 6.551 -2.869 -0.125 1.00 0.00 O ATOM 211 CB ASN A 12 4.160 -4.249 0.241 1.00 0.00 C ATOM 212 CG ASN A 12 2.672 -4.580 0.437 1.00 0.00 C ATOM 213 OD1 ASN A 12 1.822 -4.114 -0.320 1.00 0.00 O ATOM 214 ND2 ASN A 12 2.352 -5.381 1.458 1.00 0.00 N ATOM 0 H ASN A 12 3.734 -1.637 1.175 1.00 0.00 H new ATOM 0 HA ASN A 12 4.995 -4.111 2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.279 -3.692 -0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.717 -5.179 0.128 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.376 -5.624 1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.084 -5.749 2.066 1.00 0.00 H new ATOM 221 N PRO A 13 6.848 -2.181 1.994 1.00 0.00 N ATOM 222 CA PRO A 13 8.135 -1.545 1.760 1.00 0.00 C ATOM 223 C PRO A 13 9.262 -2.560 1.603 1.00 0.00 C ATOM 224 O PRO A 13 9.959 -2.582 0.592 1.00 0.00 O ATOM 225 CB PRO A 13 8.364 -0.594 2.946 1.00 0.00 C ATOM 226 CG PRO A 13 7.535 -1.206 4.075 1.00 0.00 C ATOM 227 CD PRO A 13 6.363 -1.826 3.314 1.00 0.00 C ATOM 0 HA PRO A 13 8.131 -0.995 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.419 -0.535 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.036 0.419 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.098 -1.953 4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.204 -0.454 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.988 -2.707 3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.535 -1.121 3.243 1.00 0.00 H new ATOM 235 N GLY A 14 9.405 -3.388 2.633 1.00 0.00 N ATOM 236 CA GLY A 14 10.396 -4.442 2.788 1.00 0.00 C ATOM 237 C GLY A 14 11.715 -3.909 3.361 1.00 0.00 C ATOM 238 O GLY A 14 11.885 -2.710 3.570 1.00 0.00 O ATOM 0 H GLY A 14 8.784 -3.334 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.002 -5.217 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.583 -4.909 1.821 1.00 0.00 H new ATOM 242 N ARG A 15 12.631 -4.827 3.689 1.00 0.00 N ATOM 243 CA ARG A 15 13.956 -4.519 4.229 1.00 0.00 C ATOM 244 C ARG A 15 14.962 -4.389 3.073 1.00 0.00 C ATOM 245 O ARG A 15 15.596 -5.388 2.731 1.00 0.00 O ATOM 246 CB ARG A 15 14.361 -5.573 5.285 1.00 0.00 C ATOM 247 CG ARG A 15 14.150 -7.050 4.892 1.00 0.00 C ATOM 248 CD ARG A 15 14.614 -8.017 5.992 1.00 0.00 C ATOM 249 NE ARG A 15 16.074 -7.981 6.186 1.00 0.00 N ATOM 250 CZ ARG A 15 16.749 -7.322 7.148 1.00 0.00 C ATOM 251 NH1 ARG A 15 16.119 -6.579 8.073 1.00 0.00 N ATOM 252 NH2 ARG A 15 18.086 -7.407 7.180 1.00 0.00 N ATOM 0 H ARG A 15 12.466 -5.828 3.583 1.00 0.00 H new ATOM 0 HA ARG A 15 13.943 -3.561 4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.415 -5.430 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.797 -5.378 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.094 -7.221 4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.695 -7.261 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.118 -7.763 6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.308 -9.031 5.734 1.00 0.00 H new ATOM 0 HE ARG A 15 16.635 -8.513 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.102 -6.502 8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 15 16.658 -6.092 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 15 18.578 -7.965 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 15 18.611 -6.914 7.902 1.00 0.00 H new ATOM 266 N CYS A 16 15.134 -3.196 2.461 1.00 0.00 N ATOM 267 CA CYS A 16 16.092 -3.079 1.357 1.00 0.00 C ATOM 268 C CYS A 16 16.715 -1.678 1.240 1.00 0.00 C ATOM 269 O CYS A 16 17.770 -1.438 1.827 1.00 0.00 O ATOM 270 CB CYS A 16 15.463 -3.645 0.064 1.00 0.00 C ATOM 271 SG CYS A 16 16.656 -4.132 -1.220 1.00 0.00 S ATOM 0 H CYS A 16 14.641 -2.337 2.705 1.00 0.00 H new ATOM 0 HA CYS A 16 16.964 -3.698 1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.856 -4.512 0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.789 -2.896 -0.352 1.00 0.00 H new ATOM 276 N TYR A 17 16.086 -0.765 0.493 1.00 0.00 N ATOM 277 CA TYR A 17 16.555 0.604 0.232 1.00 0.00 C ATOM 278 C TYR A 17 15.417 1.632 0.052 1.00 0.00 C ATOM 279 O TYR A 17 14.969 1.888 -1.065 1.00 0.00 O ATOM 280 CB TYR A 17 17.507 0.651 -0.992 1.00 0.00 C ATOM 281 CG TYR A 17 18.534 -0.463 -1.143 1.00 0.00 C ATOM 282 CD1 TYR A 17 19.652 -0.506 -0.280 1.00 0.00 C ATOM 283 CD2 TYR A 17 18.400 -1.438 -2.159 1.00 0.00 C ATOM 284 CE1 TYR A 17 20.609 -1.535 -0.407 1.00 0.00 C ATOM 285 CE2 TYR A 17 19.371 -2.453 -2.301 1.00 0.00 C ATOM 286 CZ TYR A 17 20.469 -2.510 -1.416 1.00 0.00 C ATOM 287 OH TYR A 17 21.396 -3.506 -1.535 1.00 0.00 O ATOM 0 H TYR A 17 15.198 -0.966 0.033 1.00 0.00 H new ATOM 0 HA TYR A 17 17.101 0.894 1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.893 0.663 -1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 17 18.045 1.599 -0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.774 0.252 0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.553 -1.406 -2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 17 21.450 -1.576 0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.274 -3.187 -3.088 1.00 0.00 H new ATOM 0 HH TYR A 17 21.150 -4.094 -2.279 1.00 0.00 H new ATOM 297 N GLN A 18 14.989 2.237 1.171 1.00 0.00 N ATOM 298 CA GLN A 18 13.965 3.290 1.321 1.00 0.00 C ATOM 299 C GLN A 18 14.067 4.332 0.183 1.00 0.00 C ATOM 300 O GLN A 18 14.963 5.175 0.247 1.00 0.00 O ATOM 301 CB GLN A 18 14.159 3.935 2.708 1.00 0.00 C ATOM 302 CG GLN A 18 13.023 4.909 3.051 1.00 0.00 C ATOM 303 CD GLN A 18 13.207 5.554 4.426 1.00 0.00 C ATOM 304 OE1 GLN A 18 12.475 5.247 5.365 1.00 0.00 O ATOM 305 NE2 GLN A 18 14.184 6.458 4.549 1.00 0.00 N ATOM 0 H GLN A 18 15.384 1.981 2.076 1.00 0.00 H new ATOM 0 HA GLN A 18 12.965 2.862 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.210 3.155 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.111 4.465 2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.973 5.688 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.072 4.378 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.771 6.687 3.747 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.342 6.919 5.445 1.00 0.00 H new ATOM 314 N LYS A 19 13.172 4.313 -0.838 1.00 0.00 N ATOM 315 CA LYS A 19 13.299 5.238 -1.973 1.00 0.00 C ATOM 316 C LYS A 19 12.080 5.579 -2.855 1.00 0.00 C ATOM 317 O LYS A 19 12.189 6.532 -3.628 1.00 0.00 O ATOM 318 CB LYS A 19 14.349 4.554 -2.864 1.00 0.00 C ATOM 319 CG LYS A 19 14.886 5.305 -4.088 1.00 0.00 C ATOM 320 CD LYS A 19 15.848 4.340 -4.790 1.00 0.00 C ATOM 321 CE LYS A 19 16.612 5.027 -5.928 1.00 0.00 C ATOM 322 NZ LYS A 19 17.524 4.092 -6.608 1.00 0.00 N ATOM 0 H LYS A 19 12.375 3.679 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 19 13.520 6.213 -1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.201 4.300 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.921 3.615 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.074 5.598 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.399 6.219 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.557 3.941 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.288 3.493 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.903 5.435 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.181 5.867 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.025 4.589 -7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.215 3.722 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.977 3.303 -7.009 1.00 0.00 H new ATOM 336 N ILE A 20 10.939 4.882 -2.769 1.00 0.00 N ATOM 337 CA ILE A 20 9.789 5.148 -3.666 1.00 0.00 C ATOM 338 C ILE A 20 8.486 5.364 -2.883 1.00 0.00 C ATOM 339 O ILE A 20 7.637 4.472 -2.862 1.00 0.00 O ATOM 340 CB ILE A 20 9.618 3.988 -4.695 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.902 3.592 -5.460 1.00 0.00 C ATOM 342 CG2 ILE A 20 8.523 4.326 -5.729 1.00 0.00 C ATOM 343 CD1 ILE A 20 11.325 4.502 -6.612 1.00 0.00 C ATOM 0 H ILE A 20 10.781 4.133 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 20 10.004 6.071 -4.204 1.00 0.00 H new ATOM 0 HB ILE A 20 9.338 3.131 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.723 3.545 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.766 2.585 -5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.423 3.502 -6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.574 4.482 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.798 5.233 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.238 4.115 -7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.533 4.533 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.506 5.508 -6.233 1.00 0.00 H new ATOM 355 N PRO A 21 8.244 6.540 -2.277 1.00 0.00 N ATOM 356 CA PRO A 21 7.010 6.746 -1.545 1.00 0.00 C ATOM 357 C PRO A 21 5.773 6.582 -2.430 1.00 0.00 C ATOM 358 O PRO A 21 5.672 7.128 -3.529 1.00 0.00 O ATOM 359 CB PRO A 21 7.080 8.103 -0.878 1.00 0.00 C ATOM 360 CG PRO A 21 8.242 8.812 -1.586 1.00 0.00 C ATOM 361 CD PRO A 21 9.126 7.683 -2.133 1.00 0.00 C ATOM 0 HA PRO A 21 6.904 5.976 -0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.147 8.653 -0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.263 8.011 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.881 9.454 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.796 9.447 -0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.570 7.960 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.948 7.462 -1.452 1.00 0.00 H new ATOM 369 N ALA A 22 4.858 5.782 -1.885 1.00 0.00 N ATOM 370 CA ALA A 22 3.571 5.392 -2.462 1.00 0.00 C ATOM 371 C ALA A 22 2.483 5.456 -1.377 1.00 0.00 C ATOM 372 O ALA A 22 2.573 6.297 -0.482 1.00 0.00 O ATOM 373 CB ALA A 22 3.736 3.995 -3.088 1.00 0.00 C ATOM 0 H ALA A 22 5.005 5.361 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 22 3.253 6.074 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.790 3.679 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.501 4.032 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.034 3.284 -2.318 1.00 0.00 H new ATOM 379 N PHE A 23 1.442 4.606 -1.462 1.00 0.00 N ATOM 380 CA PHE A 23 0.341 4.544 -0.499 1.00 0.00 C ATOM 381 C PHE A 23 -0.111 3.086 -0.266 1.00 0.00 C ATOM 382 O PHE A 23 0.081 2.205 -1.103 1.00 0.00 O ATOM 383 CB PHE A 23 -0.907 5.279 -1.002 1.00 0.00 C ATOM 384 CG PHE A 23 -0.751 6.739 -1.378 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.143 7.099 -2.597 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.214 7.745 -0.503 1.00 0.00 C ATOM 387 CE1 PHE A 23 0.144 8.455 -2.868 1.00 0.00 C ATOM 388 CE2 PHE A 23 -0.925 9.100 -0.767 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.237 9.454 -1.947 1.00 0.00 C ATOM 0 H PHE A 23 1.347 3.931 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 23 0.727 5.004 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.284 4.745 -1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.673 5.210 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.103 6.339 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.790 7.477 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.655 8.727 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.230 9.865 -0.068 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.002 10.489 -2.145 1.00 0.00 H new ATOM 399 N TYR A 24 -0.760 2.883 0.882 1.00 0.00 N ATOM 400 CA TYR A 24 -1.338 1.636 1.388 1.00 0.00 C ATOM 401 C TYR A 24 -2.666 1.920 2.098 1.00 0.00 C ATOM 402 O TYR A 24 -2.805 2.983 2.700 1.00 0.00 O ATOM 403 CB TYR A 24 -0.370 0.952 2.370 1.00 0.00 C ATOM 404 CG TYR A 24 -0.438 1.463 3.810 1.00 0.00 C ATOM 405 CD1 TYR A 24 0.000 2.768 4.122 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.991 0.657 4.831 1.00 0.00 C ATOM 407 CE1 TYR A 24 -0.028 3.231 5.453 1.00 0.00 C ATOM 408 CE2 TYR A 24 -1.037 1.123 6.162 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.546 2.408 6.476 1.00 0.00 C ATOM 410 OH TYR A 24 -0.573 2.860 7.764 1.00 0.00 O ATOM 0 H TYR A 24 -0.907 3.651 1.537 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.514 0.972 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.574 -0.119 2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.648 1.082 2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.359 3.416 3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.381 -0.321 4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.347 4.216 5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.448 0.497 6.940 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.961 2.172 8.344 1.00 0.00 H new ATOM 420 N TYR A 25 -3.579 0.937 2.158 1.00 0.00 N ATOM 421 CA TYR A 25 -4.878 1.127 2.810 1.00 0.00 C ATOM 422 C TYR A 25 -4.660 1.033 4.322 1.00 0.00 C ATOM 423 O TYR A 25 -4.293 -0.031 4.824 1.00 0.00 O ATOM 424 CB TYR A 25 -5.884 0.055 2.339 1.00 0.00 C ATOM 425 CG TYR A 25 -7.202 -0.024 3.114 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.746 1.109 3.765 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.893 -1.254 3.193 1.00 0.00 C ATOM 428 CE1 TYR A 25 -8.912 0.991 4.549 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.125 -1.344 3.875 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.616 -0.230 4.588 1.00 0.00 C ATOM 431 OH TYR A 25 -10.774 -0.326 5.306 1.00 0.00 O ATOM 0 H TYR A 25 -3.439 0.007 1.763 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.292 2.101 2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.114 0.239 1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.397 -0.919 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.265 2.070 3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.474 -2.134 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.266 1.837 5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.691 -2.264 3.851 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.133 -1.234 5.227 1.00 0.00 H new ATOM 441 N ASN A 26 -4.880 2.153 5.041 1.00 0.00 N ATOM 442 CA ASN A 26 -4.709 2.203 6.481 1.00 0.00 C ATOM 443 C ASN A 26 -5.997 1.667 7.104 1.00 0.00 C ATOM 444 O ASN A 26 -7.019 2.356 7.092 1.00 0.00 O ATOM 445 CB ASN A 26 -4.416 3.654 6.900 1.00 0.00 C ATOM 446 CG ASN A 26 -4.196 3.836 8.405 1.00 0.00 C ATOM 447 OD1 ASN A 26 -4.733 4.768 9.000 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.400 2.964 9.031 1.00 0.00 N ATOM 0 H ASN A 26 -5.179 3.036 4.628 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.870 1.596 6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.530 4.003 6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.246 4.287 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.223 3.061 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.969 2.201 8.509 1.00 0.00 H new ATOM 455 N GLN A 27 -5.945 0.439 7.645 1.00 0.00 N ATOM 456 CA GLN A 27 -7.089 -0.224 8.266 1.00 0.00 C ATOM 457 C GLN A 27 -7.233 0.202 9.737 1.00 0.00 C ATOM 458 O GLN A 27 -7.355 -0.623 10.642 1.00 0.00 O ATOM 459 CB GLN A 27 -6.959 -1.749 8.106 1.00 0.00 C ATOM 460 CG GLN A 27 -6.755 -2.145 6.633 1.00 0.00 C ATOM 461 CD GLN A 27 -6.954 -3.639 6.370 1.00 0.00 C ATOM 462 OE1 GLN A 27 -7.600 -4.013 5.393 1.00 0.00 O ATOM 463 NE2 GLN A 27 -6.405 -4.500 7.233 1.00 0.00 N ATOM 0 H GLN A 27 -5.094 -0.123 7.660 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.004 0.084 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.119 -2.108 8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.854 -2.234 8.494 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.451 -1.579 6.013 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.749 -1.861 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.875 -4.153 8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.516 -5.504 7.092 1.00 0.00 H new ATOM 472 N LYS A 28 -7.219 1.522 9.938 1.00 0.00 N ATOM 473 CA LYS A 28 -7.369 2.265 11.189 1.00 0.00 C ATOM 474 C LYS A 28 -8.313 3.435 10.886 1.00 0.00 C ATOM 475 O LYS A 28 -9.210 3.775 11.657 1.00 0.00 O ATOM 476 CB LYS A 28 -5.994 2.713 11.711 1.00 0.00 C ATOM 477 CG LYS A 28 -6.084 3.395 13.086 1.00 0.00 C ATOM 478 CD LYS A 28 -4.735 3.968 13.551 1.00 0.00 C ATOM 479 CE LYS A 28 -3.657 2.890 13.742 1.00 0.00 C ATOM 480 NZ LYS A 28 -2.423 3.454 14.314 1.00 0.00 N ATOM 0 H LYS A 28 -7.090 2.158 9.151 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.795 1.655 11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.335 1.848 11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.543 3.401 10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.820 4.198 13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.442 2.675 13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.386 4.698 12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.878 4.501 14.491 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.037 2.106 14.397 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.434 2.423 12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.717 2.699 14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.047 4.185 13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.632 3.877 15.241 1.00 0.00 H new ATOM 494 N LYS A 29 -8.072 4.008 9.708 1.00 0.00 N ATOM 495 CA LYS A 29 -8.735 5.077 9.018 1.00 0.00 C ATOM 496 C LYS A 29 -9.812 4.466 8.169 1.00 0.00 C ATOM 497 O LYS A 29 -10.737 3.852 8.705 1.00 0.00 O ATOM 498 CB LYS A 29 -7.644 5.872 8.285 1.00 0.00 C ATOM 499 CG LYS A 29 -8.160 7.141 7.581 1.00 0.00 C ATOM 500 CD LYS A 29 -7.026 8.091 7.188 1.00 0.00 C ATOM 501 CE LYS A 29 -6.108 7.492 6.113 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.172 8.496 5.578 1.00 0.00 N ATOM 0 H LYS A 29 -7.289 3.671 9.148 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.251 5.796 9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.872 6.154 9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.172 5.225 7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.718 6.857 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.855 7.662 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.449 9.026 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.436 8.334 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.546 6.659 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.713 7.088 5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.998 8.306 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.582 9.445 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.274 8.446 6.100 1.00 0.00 H new ATOM 516 N LYS A 30 -9.662 4.616 6.859 1.00 0.00 N ATOM 517 CA LYS A 30 -10.672 4.231 5.905 1.00 0.00 C ATOM 518 C LYS A 30 -10.270 4.637 4.470 1.00 0.00 C ATOM 519 O LYS A 30 -11.147 4.807 3.622 1.00 0.00 O ATOM 520 CB LYS A 30 -11.972 4.951 6.320 1.00 0.00 C ATOM 521 CG LYS A 30 -11.771 6.456 6.438 1.00 0.00 C ATOM 522 CD LYS A 30 -13.048 7.251 6.752 1.00 0.00 C ATOM 523 CE LYS A 30 -13.778 7.746 5.493 1.00 0.00 C ATOM 524 NZ LYS A 30 -14.254 6.649 4.633 1.00 0.00 N ATOM 0 H LYS A 30 -8.824 5.013 6.434 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.800 3.149 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.752 4.745 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.319 4.554 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.037 6.651 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.349 6.827 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.724 6.625 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.791 8.107 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.627 8.361 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.107 8.385 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.932 7.022 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.447 6.223 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.720 5.926 5.218 1.00 0.00 H new ATOM 538 N GLN A 31 -8.965 4.795 4.182 1.00 0.00 N ATOM 539 CA GLN A 31 -8.455 5.247 2.892 1.00 0.00 C ATOM 540 C GLN A 31 -6.953 4.937 2.808 1.00 0.00 C ATOM 541 O GLN A 31 -6.338 4.486 3.782 1.00 0.00 O ATOM 542 CB GLN A 31 -8.770 6.760 2.776 1.00 0.00 C ATOM 543 CG GLN A 31 -8.250 7.465 1.514 1.00 0.00 C ATOM 544 CD GLN A 31 -8.874 8.852 1.332 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.618 9.084 0.382 1.00 0.00 O ATOM 546 NE2 GLN A 31 -8.565 9.783 2.240 1.00 0.00 N ATOM 0 H GLN A 31 -8.227 4.606 4.860 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.926 4.732 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.851 6.889 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.353 7.265 3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.166 7.560 1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.469 6.852 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.944 9.553 3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.951 10.724 2.158 1.00 0.00 H new ATOM 555 N CYS A 32 -6.353 5.173 1.631 1.00 0.00 N ATOM 556 CA CYS A 32 -4.953 4.915 1.404 1.00 0.00 C ATOM 557 C CYS A 32 -4.108 6.039 1.973 1.00 0.00 C ATOM 558 O CYS A 32 -4.139 7.165 1.476 1.00 0.00 O ATOM 559 CB CYS A 32 -4.664 4.745 -0.087 1.00 0.00 C ATOM 560 SG CYS A 32 -3.576 3.400 -0.617 1.00 0.00 S ATOM 0 H CYS A 32 -6.841 5.549 0.818 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.695 3.986 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.619 4.616 -0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.234 5.679 -0.448 1.00 0.00 H new ATOM 565 N GLU A 33 -3.390 5.724 3.051 1.00 0.00 N ATOM 566 CA GLU A 33 -2.446 6.631 3.660 1.00 0.00 C ATOM 567 C GLU A 33 -1.173 6.397 2.874 1.00 0.00 C ATOM 568 O GLU A 33 -0.982 5.377 2.217 1.00 0.00 O ATOM 569 CB GLU A 33 -2.244 6.304 5.131 1.00 0.00 C ATOM 570 CG GLU A 33 -1.145 7.002 5.923 1.00 0.00 C ATOM 571 CD GLU A 33 -1.296 8.524 5.946 1.00 0.00 C ATOM 572 OE1 GLU A 33 -2.229 8.995 6.633 1.00 0.00 O ATOM 573 OE2 GLU A 33 -0.478 9.194 5.277 1.00 0.00 O ATOM 0 H GLU A 33 -3.456 4.822 3.522 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.778 7.669 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.187 6.504 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.064 5.231 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.149 6.627 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.177 6.745 5.493 1.00 0.00 H new ATOM 580 N GLY A 34 -0.285 7.359 2.979 1.00 0.00 N ATOM 581 CA GLY A 34 0.984 7.278 2.260 1.00 0.00 C ATOM 582 C GLY A 34 2.037 6.537 3.071 1.00 0.00 C ATOM 583 O GLY A 34 2.036 6.624 4.300 1.00 0.00 O ATOM 0 H GLY A 34 -0.406 8.199 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.832 6.770 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.339 8.283 2.032 1.00 0.00 H new ATOM 587 N PHE A 35 2.940 5.815 2.390 1.00 0.00 N ATOM 588 CA PHE A 35 3.958 5.042 3.093 1.00 0.00 C ATOM 589 C PHE A 35 5.253 5.151 2.261 1.00 0.00 C ATOM 590 O PHE A 35 5.183 5.354 1.046 1.00 0.00 O ATOM 591 CB PHE A 35 3.506 3.567 3.167 1.00 0.00 C ATOM 592 CG PHE A 35 3.800 2.662 1.987 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.920 2.530 0.905 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.995 1.908 2.013 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.144 1.535 -0.067 1.00 0.00 C ATOM 596 CE2 PHE A 35 5.221 0.911 1.045 1.00 0.00 C ATOM 597 CZ PHE A 35 4.279 0.702 0.020 1.00 0.00 C ATOM 0 H PHE A 35 2.982 5.754 1.373 1.00 0.00 H new ATOM 0 HA PHE A 35 4.116 5.411 4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.967 3.123 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.429 3.558 3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.070 3.191 0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.736 2.097 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.445 1.410 -0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.116 0.308 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.425 -0.093 -0.697 1.00 0.00 H new ATOM 607 N THR A 36 6.431 4.978 2.880 1.00 0.00 N ATOM 608 CA THR A 36 7.712 5.050 2.170 1.00 0.00 C ATOM 609 C THR A 36 8.179 3.627 1.833 1.00 0.00 C ATOM 610 O THR A 36 8.493 2.855 2.739 1.00 0.00 O ATOM 611 CB THR A 36 8.772 5.819 2.983 1.00 0.00 C ATOM 612 OG1 THR A 36 8.256 7.055 3.439 1.00 0.00 O ATOM 613 CG2 THR A 36 9.989 6.108 2.086 1.00 0.00 C ATOM 0 H THR A 36 6.520 4.786 3.878 1.00 0.00 H new ATOM 0 HA THR A 36 7.574 5.608 1.244 1.00 0.00 H new ATOM 0 HB THR A 36 9.056 5.208 3.839 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.944 7.527 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.741 6.652 2.657 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.412 5.168 1.732 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.677 6.709 1.232 1.00 0.00 H new ATOM 621 N TRP A 37 8.232 3.286 0.534 1.00 0.00 N ATOM 622 CA TRP A 37 8.664 1.977 0.029 1.00 0.00 C ATOM 623 C TRP A 37 10.182 1.826 0.178 1.00 0.00 C ATOM 624 O TRP A 37 10.878 2.839 0.222 1.00 0.00 O ATOM 625 CB TRP A 37 8.265 1.899 -1.440 1.00 0.00 C ATOM 626 CG TRP A 37 8.699 0.754 -2.296 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.965 -0.332 -2.617 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.944 0.632 -3.044 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.580 -1.006 -3.651 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.766 -0.393 -4.018 1.00 0.00 C ATOM 631 CE3 TRP A 37 11.157 1.364 -3.085 1.00 0.00 C ATOM 632 CZ2 TRP A 37 10.687 -0.580 -5.068 1.00 0.00 C ATOM 633 CZ3 TRP A 37 12.143 1.085 -4.055 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.889 0.151 -5.076 1.00 0.00 C ATOM 0 H TRP A 37 7.968 3.931 -0.210 1.00 0.00 H new ATOM 0 HA TRP A 37 8.193 1.173 0.595 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.176 1.930 -1.477 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.627 2.810 -1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.042 -0.627 -2.140 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.209 -1.849 -4.090 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.329 2.148 -2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.471 -1.280 -5.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.097 1.590 -4.014 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.613 -0.004 -5.862 1.00 0.00 H new ATOM 645 N SER A 38 10.698 0.583 0.207 1.00 0.00 N ATOM 646 CA SER A 38 12.128 0.324 0.368 1.00 0.00 C ATOM 647 C SER A 38 12.647 -0.786 -0.553 1.00 0.00 C ATOM 648 O SER A 38 12.458 -1.967 -0.264 1.00 0.00 O ATOM 649 CB SER A 38 12.402 -0.019 1.840 1.00 0.00 C ATOM 650 OG SER A 38 12.025 1.024 2.716 1.00 0.00 O ATOM 0 H SER A 38 10.133 -0.261 0.119 1.00 0.00 H new ATOM 0 HA SER A 38 12.668 1.226 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.860 -0.927 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.463 -0.232 1.969 1.00 0.00 H new ATOM 0 HG SER A 38 12.216 0.760 3.640 1.00 0.00 H new ATOM 656 N GLY A 39 13.338 -0.385 -1.636 1.00 0.00 N ATOM 657 CA GLY A 39 13.967 -1.212 -2.661 1.00 0.00 C ATOM 658 C GLY A 39 13.229 -2.522 -2.939 1.00 0.00 C ATOM 659 O GLY A 39 12.011 -2.541 -3.116 1.00 0.00 O ATOM 0 H GLY A 39 13.477 0.608 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.032 -0.640 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.988 -1.440 -2.354 1.00 0.00 H new ATOM 663 N CYS A 40 14.011 -3.605 -2.969 1.00 0.00 N ATOM 664 CA CYS A 40 13.625 -4.991 -3.174 1.00 0.00 C ATOM 665 C CYS A 40 12.669 -5.444 -2.052 1.00 0.00 C ATOM 666 O CYS A 40 13.080 -6.061 -1.070 1.00 0.00 O ATOM 667 CB CYS A 40 14.916 -5.838 -3.264 1.00 0.00 C ATOM 668 SG CYS A 40 16.039 -6.000 -1.822 1.00 0.00 S ATOM 0 H CYS A 40 15.019 -3.519 -2.838 1.00 0.00 H new ATOM 0 HA CYS A 40 13.073 -5.120 -4.105 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.618 -6.846 -3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 40 15.507 -5.434 -4.086 1.00 0.00 H new ATOM 673 N GLY A 41 11.375 -5.131 -2.213 1.00 0.00 N ATOM 674 CA GLY A 41 10.320 -5.448 -1.262 1.00 0.00 C ATOM 675 C GLY A 41 8.979 -4.912 -1.772 1.00 0.00 C ATOM 676 O GLY A 41 8.842 -3.703 -1.969 1.00 0.00 O ATOM 0 H GLY A 41 11.032 -4.636 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.260 -6.527 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.551 -5.010 -0.291 1.00 0.00 H new ATOM 680 N GLY A 42 7.994 -5.798 -1.982 1.00 0.00 N ATOM 681 CA GLY A 42 6.669 -5.425 -2.469 1.00 0.00 C ATOM 682 C GLY A 42 5.724 -6.622 -2.624 1.00 0.00 C ATOM 683 O GLY A 42 6.165 -7.768 -2.725 1.00 0.00 O ATOM 0 H GLY A 42 8.101 -6.799 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.225 -4.706 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.771 -4.923 -3.431 1.00 0.00 H new ATOM 687 N ASN A 43 4.412 -6.334 -2.640 1.00 0.00 N ATOM 688 CA ASN A 43 3.330 -7.304 -2.799 1.00 0.00 C ATOM 689 C ASN A 43 2.354 -6.739 -3.835 1.00 0.00 C ATOM 690 O ASN A 43 2.657 -6.769 -5.028 1.00 0.00 O ATOM 691 CB ASN A 43 2.694 -7.657 -1.438 1.00 0.00 C ATOM 692 CG ASN A 43 3.682 -8.336 -0.482 1.00 0.00 C ATOM 693 OD1 ASN A 43 4.074 -7.760 0.530 1.00 0.00 O ATOM 694 ND2 ASN A 43 4.087 -9.569 -0.800 1.00 0.00 N ATOM 0 H ASN A 43 4.069 -5.379 -2.538 1.00 0.00 H new ATOM 0 HA ASN A 43 3.698 -8.260 -3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.312 -6.748 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.841 -8.315 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.743 -10.063 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.741 -10.017 -1.649 1.00 0.00 H new ATOM 701 N SER A 44 1.198 -6.230 -3.391 1.00 0.00 N ATOM 702 CA SER A 44 0.162 -5.662 -4.256 1.00 0.00 C ATOM 703 C SER A 44 -0.549 -4.436 -3.649 1.00 0.00 C ATOM 704 O SER A 44 -1.113 -3.660 -4.422 1.00 0.00 O ATOM 705 CB SER A 44 -0.850 -6.753 -4.634 1.00 0.00 C ATOM 706 OG SER A 44 -0.238 -7.813 -5.340 1.00 0.00 O ATOM 0 H SER A 44 0.954 -6.202 -2.401 1.00 0.00 H new ATOM 0 HA SER A 44 0.663 -5.294 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.320 -7.141 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.642 -6.319 -5.244 1.00 0.00 H new ATOM 0 HG SER A 44 -0.911 -8.489 -5.563 1.00 0.00 H new ATOM 712 N ASN A 45 -0.537 -4.219 -2.315 1.00 0.00 N ATOM 713 CA ASN A 45 -1.181 -3.044 -1.687 1.00 0.00 C ATOM 714 C ASN A 45 -0.300 -1.782 -1.752 1.00 0.00 C ATOM 715 O ASN A 45 -0.415 -0.868 -0.937 1.00 0.00 O ATOM 716 CB ASN A 45 -1.654 -3.415 -0.264 1.00 0.00 C ATOM 717 CG ASN A 45 -2.578 -2.381 0.403 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.491 -2.236 1.730 1.00 0.00 O flip ATOM 719 ND2 ASN A 45 -3.377 -1.726 -0.262 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.086 -4.846 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.067 -2.772 -2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.175 -4.371 -0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.778 -3.559 0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.425 -1.854 -1.273 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.992 -1.054 0.197 1.00 0.00 H new ATOM 726 N ARG A 46 0.590 -1.764 -2.747 1.00 0.00 N ATOM 727 CA ARG A 46 1.535 -0.746 -3.137 1.00 0.00 C ATOM 728 C ARG A 46 0.814 0.129 -4.173 1.00 0.00 C ATOM 729 O ARG A 46 1.077 0.006 -5.370 1.00 0.00 O ATOM 730 CB ARG A 46 2.745 -1.523 -3.676 1.00 0.00 C ATOM 731 CG ARG A 46 4.050 -0.729 -3.837 1.00 0.00 C ATOM 732 CD ARG A 46 4.014 0.388 -4.887 1.00 0.00 C ATOM 733 NE ARG A 46 5.328 1.034 -5.016 1.00 0.00 N ATOM 734 CZ ARG A 46 6.396 0.534 -5.666 1.00 0.00 C ATOM 735 NH1 ARG A 46 6.343 -0.644 -6.308 1.00 0.00 N ATOM 736 NH2 ARG A 46 7.542 1.225 -5.665 1.00 0.00 N ATOM 0 H ARG A 46 0.664 -2.570 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 46 1.885 -0.078 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.936 -2.363 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.478 -1.941 -4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.310 -0.291 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.849 -1.424 -4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.711 -0.023 -5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.266 1.130 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 46 5.441 1.945 -4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.478 -1.184 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.168 -0.998 -6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.598 2.118 -5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.359 0.858 -6.153 1.00 0.00 H new ATOM 750 N PHE A 47 -0.119 0.988 -3.737 1.00 0.00 N ATOM 751 CA PHE A 47 -0.910 1.836 -4.603 1.00 0.00 C ATOM 752 C PHE A 47 -0.267 3.211 -4.791 1.00 0.00 C ATOM 753 O PHE A 47 0.166 3.842 -3.832 1.00 0.00 O ATOM 754 CB PHE A 47 -2.306 1.917 -3.985 1.00 0.00 C ATOM 755 CG PHE A 47 -3.155 0.691 -4.293 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.716 0.527 -5.580 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.360 -0.304 -3.310 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.497 -0.611 -5.875 1.00 0.00 C ATOM 759 CE2 PHE A 47 -4.162 -1.430 -3.598 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.725 -1.586 -4.881 1.00 0.00 C ATOM 0 H PHE A 47 -0.340 1.106 -2.748 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.971 1.418 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.215 2.029 -2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.813 2.808 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.546 1.275 -6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.902 -0.203 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.920 -0.735 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.344 -2.172 -2.835 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.331 -2.452 -5.103 1.00 0.00 H new ATOM 770 N LYS A 48 -0.223 3.663 -6.051 1.00 0.00 N ATOM 771 CA LYS A 48 0.326 4.916 -6.520 1.00 0.00 C ATOM 772 C LYS A 48 -0.587 6.095 -6.183 1.00 0.00 C ATOM 773 O LYS A 48 -0.086 7.114 -5.710 1.00 0.00 O ATOM 774 CB LYS A 48 0.528 4.777 -8.030 1.00 0.00 C ATOM 775 CG LYS A 48 1.744 3.888 -8.336 1.00 0.00 C ATOM 776 CD LYS A 48 2.031 3.874 -9.840 1.00 0.00 C ATOM 777 CE LYS A 48 3.163 2.904 -10.211 1.00 0.00 C ATOM 778 NZ LYS A 48 4.449 3.280 -9.596 1.00 0.00 N ATOM 0 H LYS A 48 -0.603 3.110 -6.819 1.00 0.00 H new ATOM 0 HA LYS A 48 1.274 5.125 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.366 4.348 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.670 5.762 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.617 4.256 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.558 2.873 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.125 3.594 -10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.297 4.880 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.893 1.897 -9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.275 2.878 -11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.191 2.626 -9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.698 4.250 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.366 3.230 -8.561 1.00 0.00 H new ATOM 792 N THR A 49 -1.895 5.988 -6.468 1.00 0.00 N ATOM 793 CA THR A 49 -2.872 7.033 -6.149 1.00 0.00 C ATOM 794 C THR A 49 -3.897 6.453 -5.159 1.00 0.00 C ATOM 795 O THR A 49 -4.114 5.241 -5.091 1.00 0.00 O ATOM 796 CB THR A 49 -3.485 7.686 -7.407 1.00 0.00 C ATOM 797 OG1 THR A 49 -4.526 6.907 -7.945 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.446 7.925 -8.515 1.00 0.00 C ATOM 0 H THR A 49 -2.302 5.173 -6.926 1.00 0.00 H new ATOM 0 HA THR A 49 -2.374 7.871 -5.661 1.00 0.00 H new ATOM 0 HB THR A 49 -3.874 8.647 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.517 6.979 -8.922 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.931 8.386 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.663 8.586 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.006 6.973 -8.813 1.00 0.00 H new ATOM 806 N ILE A 50 -4.520 7.341 -4.378 1.00 0.00 N ATOM 807 CA ILE A 50 -5.483 7.006 -3.333 1.00 0.00 C ATOM 808 C ILE A 50 -6.802 6.422 -3.840 1.00 0.00 C ATOM 809 O ILE A 50 -7.402 5.565 -3.189 1.00 0.00 O ATOM 810 CB ILE A 50 -5.710 8.260 -2.447 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.379 8.733 -1.816 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.738 7.976 -1.337 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.514 10.014 -0.982 1.00 0.00 C ATOM 0 H ILE A 50 -4.360 8.345 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.052 6.196 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.100 9.050 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.984 7.938 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.650 8.901 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.877 8.872 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.689 7.690 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.377 7.164 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.541 10.285 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.879 10.823 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.218 9.845 -0.167 1.00 0.00 H new ATOM 825 N GLU A 51 -7.239 6.854 -5.017 1.00 0.00 N ATOM 826 CA GLU A 51 -8.486 6.453 -5.627 1.00 0.00 C ATOM 827 C GLU A 51 -8.408 4.994 -5.999 1.00 0.00 C ATOM 828 O GLU A 51 -9.234 4.190 -5.595 1.00 0.00 O ATOM 829 CB GLU A 51 -8.712 7.363 -6.838 1.00 0.00 C ATOM 830 CG GLU A 51 -8.648 8.858 -6.486 1.00 0.00 C ATOM 831 CD GLU A 51 -7.308 9.449 -6.039 1.00 0.00 C ATOM 832 OE1 GLU A 51 -6.296 9.125 -6.696 1.00 0.00 O ATOM 833 OE2 GLU A 51 -7.319 10.222 -5.057 1.00 0.00 O ATOM 0 H GLU A 51 -6.712 7.516 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.332 6.559 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.962 7.142 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.685 7.140 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.982 9.418 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.372 9.043 -5.693 1.00 0.00 H new ATOM 840 N GLU A 52 -7.356 4.713 -6.749 1.00 0.00 N ATOM 841 CA GLU A 52 -6.868 3.451 -7.267 1.00 0.00 C ATOM 842 C GLU A 52 -6.807 2.397 -6.155 1.00 0.00 C ATOM 843 O GLU A 52 -7.110 1.226 -6.379 1.00 0.00 O ATOM 844 CB GLU A 52 -5.475 3.782 -7.851 1.00 0.00 C ATOM 845 CG GLU A 52 -5.501 3.947 -9.381 1.00 0.00 C ATOM 846 CD GLU A 52 -6.354 5.129 -9.862 1.00 0.00 C ATOM 847 OE1 GLU A 52 -7.594 5.039 -9.732 1.00 0.00 O ATOM 848 OE2 GLU A 52 -5.755 6.102 -10.371 1.00 0.00 O ATOM 0 H GLU A 52 -6.743 5.472 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.520 3.022 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.103 4.700 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.776 2.989 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.480 4.078 -9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.882 3.030 -9.830 1.00 0.00 H new ATOM 855 N CYS A 53 -6.409 2.832 -4.956 1.00 0.00 N ATOM 856 CA CYS A 53 -6.331 2.030 -3.750 1.00 0.00 C ATOM 857 C CYS A 53 -7.757 1.710 -3.312 1.00 0.00 C ATOM 858 O CYS A 53 -8.103 0.540 -3.134 1.00 0.00 O ATOM 859 CB CYS A 53 -5.606 2.849 -2.685 1.00 0.00 C ATOM 860 SG CYS A 53 -4.878 1.975 -1.277 1.00 0.00 S ATOM 0 H CYS A 53 -6.121 3.798 -4.802 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.788 1.099 -3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.809 3.405 -3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.311 3.582 -2.293 1.00 0.00 H new ATOM 865 N ARG A 54 -8.580 2.766 -3.166 1.00 0.00 N ATOM 866 CA ARG A 54 -9.973 2.594 -2.757 1.00 0.00 C ATOM 867 C ARG A 54 -10.808 1.800 -3.793 1.00 0.00 C ATOM 868 O ARG A 54 -11.731 1.098 -3.390 1.00 0.00 O ATOM 869 CB ARG A 54 -10.628 3.946 -2.426 1.00 0.00 C ATOM 870 CG ARG A 54 -9.969 4.666 -1.230 1.00 0.00 C ATOM 871 CD ARG A 54 -10.997 5.482 -0.432 1.00 0.00 C ATOM 872 NE ARG A 54 -11.458 6.656 -1.187 1.00 0.00 N ATOM 873 CZ ARG A 54 -12.223 7.648 -0.695 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.661 7.627 0.574 1.00 0.00 N ATOM 875 NH2 ARG A 54 -12.550 8.679 -1.487 1.00 0.00 N ATOM 0 H ARG A 54 -8.301 3.734 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.958 1.993 -1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.577 4.591 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.684 3.787 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.498 3.932 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.179 5.325 -1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.850 4.851 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.554 5.805 0.510 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.175 6.724 -2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.415 6.849 1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.240 8.389 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.220 8.706 -2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.129 9.436 -1.125 1.00 0.00 H new ATOM 889 N ARG A 55 -10.530 1.865 -5.108 1.00 0.00 N ATOM 890 CA ARG A 55 -11.263 1.115 -6.126 1.00 0.00 C ATOM 891 C ARG A 55 -11.336 -0.389 -5.821 1.00 0.00 C ATOM 892 O ARG A 55 -12.332 -1.051 -6.111 1.00 0.00 O ATOM 893 CB ARG A 55 -10.513 1.266 -7.458 1.00 0.00 C ATOM 894 CG ARG A 55 -10.795 2.610 -8.139 1.00 0.00 C ATOM 895 CD ARG A 55 -10.338 2.605 -9.602 1.00 0.00 C ATOM 896 NE ARG A 55 -10.560 3.916 -10.229 1.00 0.00 N ATOM 897 CZ ARG A 55 -10.119 4.290 -11.444 1.00 0.00 C ATOM 898 NH1 ARG A 55 -9.406 3.454 -12.215 1.00 0.00 N ATOM 899 NH2 ARG A 55 -10.394 5.523 -11.891 1.00 0.00 N ATOM 0 H ARG A 55 -9.783 2.446 -5.489 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.278 1.511 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.442 1.169 -7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.800 0.455 -8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.862 2.827 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.283 3.407 -7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.280 2.347 -9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.881 1.838 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.095 4.602 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.189 2.514 -11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.082 3.758 -13.133 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.932 6.167 -11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.065 5.817 -12.810 1.00 0.00 H new ATOM 913 N THR A 56 -10.240 -0.898 -5.259 1.00 0.00 N ATOM 914 CA THR A 56 -10.003 -2.281 -4.906 1.00 0.00 C ATOM 915 C THR A 56 -10.340 -2.554 -3.444 1.00 0.00 C ATOM 916 O THR A 56 -11.329 -3.225 -3.175 1.00 0.00 O ATOM 917 CB THR A 56 -8.526 -2.625 -5.217 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.284 -2.466 -6.603 1.00 0.00 O ATOM 919 CG2 THR A 56 -8.157 -4.066 -4.824 1.00 0.00 C ATOM 0 H THR A 56 -9.443 -0.305 -5.026 1.00 0.00 H new ATOM 0 HA THR A 56 -10.659 -2.920 -5.498 1.00 0.00 H new ATOM 0 HB THR A 56 -7.912 -1.945 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.863 -3.074 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.110 -4.252 -5.064 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.313 -4.203 -3.754 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.786 -4.766 -5.375 1.00 0.00 H new ATOM 927 N CYS A 57 -9.558 -2.012 -2.500 1.00 0.00 N ATOM 928 CA CYS A 57 -9.675 -2.248 -1.082 1.00 0.00 C ATOM 929 C CYS A 57 -10.898 -1.644 -0.419 1.00 0.00 C ATOM 930 O CYS A 57 -11.253 -2.080 0.677 1.00 0.00 O ATOM 931 CB CYS A 57 -8.386 -1.715 -0.449 1.00 0.00 C ATOM 932 SG CYS A 57 -6.870 -2.629 -0.885 1.00 0.00 S ATOM 0 H CYS A 57 -8.798 -1.371 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.812 -3.318 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.260 -0.673 -0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.500 -1.729 0.635 1.00 0.00 H new ATOM 937 N ILE A 58 -11.534 -0.671 -1.074 1.00 0.00 N ATOM 938 CA ILE A 58 -12.723 -0.009 -0.531 1.00 0.00 C ATOM 939 C ILE A 58 -13.967 -0.193 -1.423 1.00 0.00 C ATOM 940 O ILE A 58 -15.052 0.219 -1.018 1.00 0.00 O ATOM 941 CB ILE A 58 -12.431 1.480 -0.293 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.122 1.712 0.494 1.00 0.00 C ATOM 943 CG2 ILE A 58 -13.563 2.199 0.470 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.135 1.253 1.944 1.00 0.00 C ATOM 0 H ILE A 58 -11.244 -0.322 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.956 -0.486 0.421 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.341 1.897 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.312 1.198 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.889 2.777 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.300 3.248 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.488 2.130 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.702 1.728 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.168 1.463 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.916 1.785 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.330 0.181 1.985 1.00 0.00 H new ATOM 956 N ARG A 59 -13.804 -0.807 -2.608 1.00 0.00 N ATOM 957 CA ARG A 59 -14.768 -1.099 -3.671 1.00 0.00 C ATOM 958 C ARG A 59 -15.100 0.179 -4.453 1.00 0.00 C ATOM 959 O ARG A 59 -14.952 0.244 -5.673 1.00 0.00 O ATOM 960 CB ARG A 59 -16.015 -1.803 -3.129 1.00 0.00 C ATOM 961 CG ARG A 59 -15.833 -3.295 -2.828 1.00 0.00 C ATOM 962 CD ARG A 59 -17.196 -3.855 -2.391 1.00 0.00 C ATOM 963 NE ARG A 59 -17.089 -5.194 -1.799 1.00 0.00 N ATOM 964 CZ ARG A 59 -18.110 -6.045 -1.583 1.00 0.00 C ATOM 965 NH1 ARG A 59 -19.364 -5.739 -1.953 1.00 0.00 N ATOM 966 NH2 ARG A 59 -17.873 -7.220 -0.984 1.00 0.00 N ATOM 0 H ARG A 59 -12.879 -1.150 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.312 -1.800 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.331 -1.299 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.822 -1.689 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.469 -3.821 -3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.091 -3.439 -2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.649 -3.177 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.862 -3.894 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.158 -5.508 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.558 -4.847 -2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.122 -6.399 -1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.925 -7.464 -0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.640 -7.871 -0.816 1.00 0.00 H new ATOM 980 N LYS A 60 -15.540 1.187 -3.707 1.00 0.00 N ATOM 981 CA LYS A 60 -15.923 2.520 -4.151 1.00 0.00 C ATOM 982 C LYS A 60 -14.645 3.347 -4.357 1.00 0.00 C ATOM 983 O LYS A 60 -14.295 3.576 -5.536 1.00 0.00 O ATOM 984 CB LYS A 60 -16.858 3.143 -3.095 1.00 0.00 C ATOM 985 CG LYS A 60 -17.367 4.538 -3.492 1.00 0.00 C ATOM 986 CD LYS A 60 -18.244 5.122 -2.373 1.00 0.00 C ATOM 987 CE LYS A 60 -18.858 6.478 -2.748 1.00 0.00 C ATOM 988 NZ LYS A 60 -17.837 7.518 -2.967 1.00 0.00 N ATOM 989 OXT LYS A 60 -14.028 3.725 -3.336 1.00 0.00 O ATOM 0 H LYS A 60 -15.646 1.083 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 60 -16.463 2.490 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -17.711 2.482 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.329 3.212 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.523 5.200 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.940 4.474 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -19.043 4.418 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.645 5.236 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.457 6.365 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -19.535 6.799 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.303 8.426 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.249 7.612 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.237 7.251 -3.774 1.00 0.00 H new TER 1003 LYS A 60