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 10 HIS : no HE2:sc= 0 K(o=-0.0094,f=-0.77) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 173:sc= -0.0094 (180deg=-0.0595) USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 ASN : amide:sc= -1.44 K(o=-1.4,f=-9!) USER MOD Single : A 1 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.7) USER MOD Single : A 1 GLN N :NH3+ 157:sc= -0.305 (180deg=-1.15) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.645 X(o=-0.65,f=-0.96) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.34) USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0484) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00363 K(o=-0.0036,f=-1.8) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00987) USER MOD Single : A 30 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.519) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.68 K(o=-2.7,f=-9.4!) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0384) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0605 USER MOD Single : A 56 THR OG1 : rot 93:sc= 0.0196 USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0907) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -15.799 -7.364 -8.071 1.00 0.00 N ATOM 2 CA GLN A 1 -15.305 -7.467 -6.684 1.00 0.00 C ATOM 3 C GLN A 1 -13.768 -7.337 -6.615 1.00 0.00 C ATOM 4 O GLN A 1 -13.087 -8.284 -6.223 1.00 0.00 O ATOM 5 CB GLN A 1 -15.840 -8.763 -6.023 1.00 0.00 C ATOM 6 CG GLN A 1 -15.888 -10.028 -6.906 1.00 0.00 C ATOM 7 CD GLN A 1 -14.526 -10.453 -7.458 1.00 0.00 C ATOM 8 OE1 GLN A 1 -14.174 -10.107 -8.584 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.751 -11.202 -6.667 1.00 0.00 N ATOM 0 H1 GLN A 1 -16.728 -7.826 -8.144 1.00 0.00 H new ATOM 0 H2 GLN A 1 -15.889 -6.362 -8.334 1.00 0.00 H new ATOM 0 H3 GLN A 1 -15.128 -7.832 -8.714 1.00 0.00 H new ATOM 0 HA GLN A 1 -15.693 -6.628 -6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -15.221 -8.980 -5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -16.848 -8.566 -5.657 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -16.305 -10.850 -6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -16.567 -9.851 -7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -14.077 -11.469 -5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -12.833 -11.506 -6.992 1.00 0.00 H new ATOM 20 N PRO A 2 -13.190 -6.162 -6.947 1.00 0.00 N ATOM 21 CA PRO A 2 -11.744 -5.931 -6.916 1.00 0.00 C ATOM 22 C PRO A 2 -11.142 -5.849 -5.495 1.00 0.00 C ATOM 23 O PRO A 2 -9.963 -5.517 -5.378 1.00 0.00 O ATOM 24 CB PRO A 2 -11.539 -4.627 -7.701 1.00 0.00 C ATOM 25 CG PRO A 2 -12.820 -3.853 -7.394 1.00 0.00 C ATOM 26 CD PRO A 2 -13.866 -4.968 -7.439 1.00 0.00 C ATOM 0 HA PRO A 2 -11.216 -6.777 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.651 -4.089 -7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.421 -4.810 -8.769 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.781 -3.365 -6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.017 -3.076 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.728 -4.722 -6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.236 -5.117 -8.453 1.00 0.00 H new ATOM 34 N LEU A 3 -11.909 -6.147 -4.427 1.00 0.00 N ATOM 35 CA LEU A 3 -11.445 -6.132 -3.037 1.00 0.00 C ATOM 36 C LEU A 3 -10.604 -7.399 -2.834 1.00 0.00 C ATOM 37 O LEU A 3 -11.072 -8.433 -2.359 1.00 0.00 O ATOM 38 CB LEU A 3 -12.643 -6.008 -2.081 1.00 0.00 C ATOM 39 CG LEU A 3 -12.274 -5.560 -0.650 1.00 0.00 C ATOM 40 CD1 LEU A 3 -13.561 -5.296 0.149 1.00 0.00 C ATOM 41 CD2 LEU A 3 -11.395 -6.563 0.116 1.00 0.00 C ATOM 0 H LEU A 3 -12.890 -6.410 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.819 -5.268 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.354 -5.296 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.151 -6.971 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.680 -4.652 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.303 -4.980 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.139 -4.512 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.155 -6.209 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.181 -6.173 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.920 -7.514 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.460 -6.713 -0.423 1.00 0.00 H new ATOM 53 N ARG A 4 -9.339 -7.265 -3.238 1.00 0.00 N ATOM 54 CA ARG A 4 -8.272 -8.255 -3.225 1.00 0.00 C ATOM 55 C ARG A 4 -7.579 -8.352 -1.864 1.00 0.00 C ATOM 56 O ARG A 4 -7.509 -7.380 -1.113 1.00 0.00 O ATOM 57 CB ARG A 4 -7.289 -7.928 -4.363 1.00 0.00 C ATOM 58 CG ARG A 4 -6.682 -6.512 -4.292 1.00 0.00 C ATOM 59 CD ARG A 4 -5.997 -6.140 -5.613 1.00 0.00 C ATOM 60 NE ARG A 4 -6.982 -5.986 -6.695 1.00 0.00 N ATOM 61 CZ ARG A 4 -6.717 -5.616 -7.960 1.00 0.00 C ATOM 62 NH1 ARG A 4 -5.460 -5.376 -8.367 1.00 0.00 N ATOM 63 NH2 ARG A 4 -7.730 -5.482 -8.828 1.00 0.00 N ATOM 0 H ARG A 4 -9.011 -6.377 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.699 -9.244 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.480 -8.658 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.805 -8.042 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.465 -5.788 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.960 -6.463 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.440 -5.211 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.275 -6.911 -5.881 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.957 -6.178 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.684 -5.473 -7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.281 -5.096 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.688 -5.660 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.543 -5.202 -9.791 1.00 0.00 H new ATOM 77 N LYS A 5 -7.061 -9.554 -1.566 1.00 0.00 N ATOM 78 CA LYS A 5 -6.376 -9.882 -0.319 1.00 0.00 C ATOM 79 C LYS A 5 -5.043 -9.163 -0.125 1.00 0.00 C ATOM 80 O LYS A 5 -4.580 -9.062 1.012 1.00 0.00 O ATOM 81 CB LYS A 5 -6.225 -11.409 -0.188 1.00 0.00 C ATOM 82 CG LYS A 5 -5.308 -12.027 -1.261 1.00 0.00 C ATOM 83 CD LYS A 5 -5.072 -13.531 -1.051 1.00 0.00 C ATOM 84 CE LYS A 5 -6.354 -14.363 -1.197 1.00 0.00 C ATOM 85 NZ LYS A 5 -6.071 -15.808 -1.133 1.00 0.00 N ATOM 0 H LYS A 5 -7.112 -10.344 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.007 -9.510 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.827 -11.644 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.210 -11.871 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.749 -11.867 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.349 -11.509 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.333 -13.882 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.651 -13.693 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.056 -14.093 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.836 -14.127 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.959 -16.340 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.421 -16.069 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.634 -16.036 -0.217 1.00 0.00 H new ATOM 99 N LEU A 6 -4.431 -8.660 -1.205 1.00 0.00 N ATOM 100 CA LEU A 6 -3.172 -7.925 -1.107 1.00 0.00 C ATOM 101 C LEU A 6 -3.377 -6.562 -0.421 1.00 0.00 C ATOM 102 O LEU A 6 -2.394 -5.929 -0.043 1.00 0.00 O ATOM 103 CB LEU A 6 -2.428 -7.861 -2.456 1.00 0.00 C ATOM 104 CG LEU A 6 -3.090 -7.113 -3.628 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.172 -5.592 -3.404 1.00 0.00 C ATOM 106 CD2 LEU A 6 -2.286 -7.380 -4.912 1.00 0.00 C ATOM 0 H LEU A 6 -4.791 -8.751 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.499 -8.482 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.456 -7.401 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.241 -8.885 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.111 -7.486 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.648 -5.123 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.759 -5.387 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.167 -5.188 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.748 -6.854 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.263 -7.026 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.276 -8.450 -5.119 1.00 0.00 H new ATOM 118 N CYS A 7 -4.638 -6.126 -0.239 1.00 0.00 N ATOM 119 CA CYS A 7 -4.994 -4.880 0.446 1.00 0.00 C ATOM 120 C CYS A 7 -4.750 -5.038 1.961 1.00 0.00 C ATOM 121 O CYS A 7 -4.352 -4.083 2.627 1.00 0.00 O ATOM 122 CB CYS A 7 -6.474 -4.534 0.200 1.00 0.00 C ATOM 123 SG CYS A 7 -6.934 -4.082 -1.499 1.00 0.00 S ATOM 0 H CYS A 7 -5.450 -6.645 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.374 -4.074 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.078 -5.390 0.500 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.744 -3.707 0.857 1.00 0.00 H new ATOM 128 N ILE A 8 -4.975 -6.256 2.484 1.00 0.00 N ATOM 129 CA ILE A 8 -4.834 -6.650 3.883 1.00 0.00 C ATOM 130 C ILE A 8 -3.362 -6.910 4.252 1.00 0.00 C ATOM 131 O ILE A 8 -3.020 -6.803 5.430 1.00 0.00 O ATOM 132 CB ILE A 8 -5.715 -7.906 4.140 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.199 -7.629 3.796 1.00 0.00 C ATOM 134 CG2 ILE A 8 -5.613 -8.368 5.608 1.00 0.00 C ATOM 135 CD1 ILE A 8 -8.060 -8.898 3.729 1.00 0.00 C ATOM 0 H ILE A 8 -5.279 -7.034 1.899 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.172 -5.834 4.522 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.340 -8.697 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.617 -6.955 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.251 -7.113 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.239 -9.247 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.577 -8.617 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.950 -7.567 6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.087 -8.628 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.667 -9.564 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.038 -9.404 4.694 1.00 0.00 H new ATOM 147 N LEU A 9 -2.481 -7.222 3.284 1.00 0.00 N ATOM 148 CA LEU A 9 -1.068 -7.488 3.559 1.00 0.00 C ATOM 149 C LEU A 9 -0.307 -6.230 4.000 1.00 0.00 C ATOM 150 O LEU A 9 0.726 -6.336 4.660 1.00 0.00 O ATOM 151 CB LEU A 9 -0.399 -8.117 2.327 1.00 0.00 C ATOM 152 CG LEU A 9 -0.982 -9.473 1.885 1.00 0.00 C ATOM 153 CD1 LEU A 9 -0.231 -9.959 0.634 1.00 0.00 C ATOM 154 CD2 LEU A 9 -0.888 -10.539 2.988 1.00 0.00 C ATOM 0 H LEU A 9 -2.732 -7.295 2.298 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.028 -8.190 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.476 -7.418 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.663 -8.247 2.537 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.040 -9.325 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.638 -10.919 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.350 -9.230 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.828 -10.073 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.312 -11.476 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.157 -10.694 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.442 -10.205 3.865 1.00 0.00 H new ATOM 166 N HIS A 10 -0.829 -5.056 3.628 1.00 0.00 N ATOM 167 CA HIS A 10 -0.307 -3.724 3.919 1.00 0.00 C ATOM 168 C HIS A 10 1.058 -3.493 3.249 1.00 0.00 C ATOM 169 O HIS A 10 1.659 -4.408 2.684 1.00 0.00 O ATOM 170 CB HIS A 10 -0.279 -3.470 5.439 1.00 0.00 C ATOM 171 CG HIS A 10 -1.621 -3.672 6.107 1.00 0.00 C ATOM 172 ND1 HIS A 10 -1.748 -4.381 7.303 1.00 0.00 N ATOM 173 CD2 HIS A 10 -2.865 -3.255 5.709 1.00 0.00 C ATOM 174 CE1 HIS A 10 -3.058 -4.377 7.566 1.00 0.00 C ATOM 175 NE2 HIS A 10 -3.771 -3.722 6.637 1.00 0.00 N ATOM 0 H HIS A 10 -1.687 -5.013 3.078 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.983 -2.987 3.486 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.451 -4.137 5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.060 -2.451 5.623 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -1.004 -4.808 7.855 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.093 -2.669 4.831 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.496 -4.850 8.433 1.00 0.00 H new ATOM 183 N ARG A 11 1.540 -2.245 3.301 1.00 0.00 N ATOM 184 CA ARG A 11 2.786 -1.790 2.722 1.00 0.00 C ATOM 185 C ARG A 11 3.990 -2.633 3.160 1.00 0.00 C ATOM 186 O ARG A 11 4.015 -3.165 4.271 1.00 0.00 O ATOM 187 CB ARG A 11 2.939 -0.303 3.058 1.00 0.00 C ATOM 188 CG ARG A 11 3.260 0.105 4.504 1.00 0.00 C ATOM 189 CD ARG A 11 2.176 -0.278 5.520 1.00 0.00 C ATOM 190 NE ARG A 11 2.350 0.441 6.791 1.00 0.00 N ATOM 191 CZ ARG A 11 1.551 0.335 7.869 1.00 0.00 C ATOM 192 NH1 ARG A 11 0.505 -0.507 7.885 1.00 0.00 N ATOM 193 NH2 ARG A 11 1.801 1.090 8.947 1.00 0.00 N ATOM 0 H ARG A 11 1.036 -1.495 3.775 1.00 0.00 H new ATOM 0 HA ARG A 11 2.757 -1.917 1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.726 0.099 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.012 0.196 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.201 -0.359 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.412 1.184 4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.193 -0.055 5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.209 -1.352 5.701 1.00 0.00 H new ATOM 0 HE ARG A 11 3.146 1.075 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.302 -1.084 7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.086 -0.570 8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.590 1.737 8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.202 1.018 9.770 1.00 0.00 H new ATOM 207 N ASN A 12 4.983 -2.744 2.264 1.00 0.00 N ATOM 208 CA ASN A 12 6.201 -3.526 2.458 1.00 0.00 C ATOM 209 C ASN A 12 7.479 -2.699 2.234 1.00 0.00 C ATOM 210 O ASN A 12 8.234 -2.980 1.303 1.00 0.00 O ATOM 211 CB ASN A 12 6.135 -4.763 1.536 1.00 0.00 C ATOM 212 CG ASN A 12 5.956 -4.419 0.047 1.00 0.00 C ATOM 213 OD1 ASN A 12 4.891 -3.963 -0.361 1.00 0.00 O ATOM 214 ND2 ASN A 12 6.992 -4.630 -0.771 1.00 0.00 N ATOM 0 H ASN A 12 4.954 -2.275 1.359 1.00 0.00 H new ATOM 0 HA ASN A 12 6.256 -3.849 3.498 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.049 -5.344 1.658 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.308 -5.398 1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.911 -4.411 -1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.864 -5.010 -0.402 1.00 0.00 H new ATOM 221 N PRO A 13 7.756 -1.691 3.086 1.00 0.00 N ATOM 222 CA PRO A 13 8.951 -0.871 2.999 1.00 0.00 C ATOM 223 C PRO A 13 10.100 -1.693 3.612 1.00 0.00 C ATOM 224 O PRO A 13 10.502 -1.477 4.756 1.00 0.00 O ATOM 225 CB PRO A 13 8.640 0.421 3.767 1.00 0.00 C ATOM 226 CG PRO A 13 7.631 -0.053 4.814 1.00 0.00 C ATOM 227 CD PRO A 13 6.836 -1.100 4.035 1.00 0.00 C ATOM 0 HA PRO A 13 9.247 -0.599 1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.533 0.845 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.220 1.189 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.121 -0.480 5.689 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.998 0.760 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.430 -1.857 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.990 -0.642 3.522 1.00 0.00 H new ATOM 235 N GLY A 14 10.611 -2.649 2.828 1.00 0.00 N ATOM 236 CA GLY A 14 11.660 -3.593 3.179 1.00 0.00 C ATOM 237 C GLY A 14 13.028 -3.018 3.556 1.00 0.00 C ATOM 238 O GLY A 14 13.282 -1.819 3.458 1.00 0.00 O ATOM 0 H GLY A 14 10.277 -2.787 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.305 -4.195 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.800 -4.270 2.336 1.00 0.00 H new ATOM 242 N ARG A 15 13.899 -3.913 4.044 1.00 0.00 N ATOM 243 CA ARG A 15 15.286 -3.623 4.419 1.00 0.00 C ATOM 244 C ARG A 15 16.204 -3.864 3.200 1.00 0.00 C ATOM 245 O ARG A 15 17.333 -4.329 3.358 1.00 0.00 O ATOM 246 CB ARG A 15 15.682 -4.483 5.635 1.00 0.00 C ATOM 247 CG ARG A 15 14.815 -4.170 6.868 1.00 0.00 C ATOM 248 CD ARG A 15 15.299 -4.916 8.120 1.00 0.00 C ATOM 249 NE ARG A 15 15.187 -6.375 7.969 1.00 0.00 N ATOM 250 CZ ARG A 15 15.536 -7.286 8.896 1.00 0.00 C ATOM 251 NH1 ARG A 15 16.029 -6.915 10.088 1.00 0.00 N ATOM 252 NH2 ARG A 15 15.387 -8.591 8.624 1.00 0.00 N ATOM 0 H ARG A 15 13.647 -4.890 4.192 1.00 0.00 H new ATOM 0 HA ARG A 15 15.395 -2.579 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.583 -5.538 5.381 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.731 -4.310 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.830 -3.097 7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.780 -4.443 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.337 -4.651 8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.715 -4.595 8.982 1.00 0.00 H new ATOM 0 HE ARG A 15 14.813 -6.726 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.146 -5.925 10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 15 16.287 -7.623 10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.012 -8.884 7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.648 -9.290 9.319 1.00 0.00 H new ATOM 266 N CYS A 16 15.717 -3.553 1.986 1.00 0.00 N ATOM 267 CA CYS A 16 16.394 -3.722 0.698 1.00 0.00 C ATOM 268 C CYS A 16 17.020 -2.407 0.198 1.00 0.00 C ATOM 269 O CYS A 16 17.961 -2.433 -0.594 1.00 0.00 O ATOM 270 CB CYS A 16 15.382 -4.374 -0.256 1.00 0.00 C ATOM 271 SG CYS A 16 15.961 -4.911 -1.894 1.00 0.00 S ATOM 0 H CYS A 16 14.785 -3.154 1.876 1.00 0.00 H new ATOM 0 HA CYS A 16 17.258 -4.381 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.962 -5.244 0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.566 -3.668 -0.407 1.00 0.00 H new ATOM 276 N TYR A 17 16.501 -1.272 0.681 1.00 0.00 N ATOM 277 CA TYR A 17 16.949 0.100 0.447 1.00 0.00 C ATOM 278 C TYR A 17 16.749 0.607 -0.991 1.00 0.00 C ATOM 279 O TYR A 17 17.579 0.381 -1.871 1.00 0.00 O ATOM 280 CB TYR A 17 18.410 0.261 0.934 1.00 0.00 C ATOM 281 CG TYR A 17 18.718 -0.452 2.248 1.00 0.00 C ATOM 282 CD1 TYR A 17 18.024 -0.085 3.424 1.00 0.00 C ATOM 283 CD2 TYR A 17 19.644 -1.520 2.291 1.00 0.00 C ATOM 284 CE1 TYR A 17 18.203 -0.822 4.614 1.00 0.00 C ATOM 285 CE2 TYR A 17 19.831 -2.250 3.484 1.00 0.00 C ATOM 286 CZ TYR A 17 19.099 -1.911 4.643 1.00 0.00 C ATOM 287 OH TYR A 17 19.254 -2.635 5.791 1.00 0.00 O ATOM 0 H TYR A 17 15.688 -1.295 1.297 1.00 0.00 H new ATOM 0 HA TYR A 17 16.299 0.747 1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 17 19.081 -0.118 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 17 18.626 1.323 1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.355 0.762 3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 17 20.210 -1.778 1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.653 -0.552 5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.535 -3.069 3.511 1.00 0.00 H new ATOM 0 HH TYR A 17 19.907 -3.350 5.641 1.00 0.00 H new ATOM 297 N GLN A 18 15.634 1.323 -1.190 1.00 0.00 N ATOM 298 CA GLN A 18 15.177 1.970 -2.427 1.00 0.00 C ATOM 299 C GLN A 18 14.035 2.925 -2.035 1.00 0.00 C ATOM 300 O GLN A 18 13.877 3.275 -0.863 1.00 0.00 O ATOM 301 CB GLN A 18 14.824 0.891 -3.476 1.00 0.00 C ATOM 302 CG GLN A 18 14.802 1.336 -4.952 1.00 0.00 C ATOM 303 CD GLN A 18 16.120 1.975 -5.398 1.00 0.00 C ATOM 304 OE1 GLN A 18 16.157 3.155 -5.739 1.00 0.00 O ATOM 305 NE2 GLN A 18 17.207 1.199 -5.392 1.00 0.00 N ATOM 0 H GLN A 18 14.975 1.477 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 18 15.944 2.573 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 18 15.540 0.075 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.843 0.485 -3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.589 0.474 -5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.990 2.048 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.136 0.224 -5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.108 1.582 -5.677 1.00 0.00 H new ATOM 314 N LYS A 19 13.267 3.417 -3.007 1.00 0.00 N ATOM 315 CA LYS A 19 12.172 4.302 -2.859 1.00 0.00 C ATOM 316 C LYS A 19 11.336 4.164 -4.151 1.00 0.00 C ATOM 317 O LYS A 19 11.820 4.195 -5.284 1.00 0.00 O ATOM 318 CB LYS A 19 12.680 5.724 -2.716 1.00 0.00 C ATOM 319 CG LYS A 19 11.678 6.680 -2.071 1.00 0.00 C ATOM 320 CD LYS A 19 11.921 8.039 -2.728 1.00 0.00 C ATOM 321 CE LYS A 19 11.202 9.194 -2.019 1.00 0.00 C ATOM 322 NZ LYS A 19 11.768 9.465 -0.686 1.00 0.00 N ATOM 0 H LYS A 19 13.429 3.172 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 19 11.579 4.069 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.593 5.715 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.947 6.105 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.654 6.343 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.827 6.734 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.992 8.241 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.591 7.997 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.271 10.093 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.143 8.955 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.007 9.456 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.469 8.733 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.228 10.398 -0.687 1.00 0.00 H new ATOM 336 N ILE A 20 10.063 4.019 -3.876 1.00 0.00 N ATOM 337 CA ILE A 20 8.867 3.888 -4.718 1.00 0.00 C ATOM 338 C ILE A 20 7.724 4.471 -3.877 1.00 0.00 C ATOM 339 O ILE A 20 6.946 3.715 -3.296 1.00 0.00 O ATOM 340 CB ILE A 20 8.568 2.423 -5.167 1.00 0.00 C ATOM 341 CG1 ILE A 20 9.667 1.766 -6.029 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.244 2.319 -5.953 1.00 0.00 C ATOM 343 CD1 ILE A 20 9.750 2.198 -7.493 1.00 0.00 C ATOM 0 H ILE A 20 9.784 3.983 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 20 9.005 4.418 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 20 8.513 1.883 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.631 1.967 -5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.519 0.686 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.075 1.283 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.420 2.657 -5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.300 2.943 -6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.562 1.663 -7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.809 1.970 -7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.938 3.270 -7.546 1.00 0.00 H new ATOM 355 N PRO A 21 7.588 5.807 -3.778 1.00 0.00 N ATOM 356 CA PRO A 21 6.531 6.382 -2.976 1.00 0.00 C ATOM 357 C PRO A 21 5.164 6.119 -3.582 1.00 0.00 C ATOM 358 O PRO A 21 4.943 6.259 -4.785 1.00 0.00 O ATOM 359 CB PRO A 21 6.803 7.863 -2.836 1.00 0.00 C ATOM 360 CG PRO A 21 7.749 8.181 -4.002 1.00 0.00 C ATOM 361 CD PRO A 21 8.400 6.844 -4.390 1.00 0.00 C ATOM 0 HA PRO A 21 6.519 5.915 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.883 8.445 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.262 8.095 -1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.203 8.609 -4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.502 8.911 -3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.431 6.726 -5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.429 6.794 -4.034 1.00 0.00 H new ATOM 369 N ALA A 22 4.267 5.734 -2.680 1.00 0.00 N ATOM 370 CA ALA A 22 2.877 5.411 -3.015 1.00 0.00 C ATOM 371 C ALA A 22 1.962 5.644 -1.804 1.00 0.00 C ATOM 372 O ALA A 22 2.237 6.528 -0.995 1.00 0.00 O ATOM 373 CB ALA A 22 2.845 3.966 -3.552 1.00 0.00 C ATOM 0 H ALA A 22 4.482 5.635 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 22 2.491 6.069 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.821 3.696 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.474 3.894 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.217 3.285 -2.787 1.00 0.00 H new ATOM 379 N PHE A 23 0.844 4.905 -1.714 1.00 0.00 N ATOM 380 CA PHE A 23 -0.132 4.951 -0.626 1.00 0.00 C ATOM 381 C PHE A 23 -0.503 3.503 -0.243 1.00 0.00 C ATOM 382 O PHE A 23 -0.361 2.569 -1.033 1.00 0.00 O ATOM 383 CB PHE A 23 -1.438 5.651 -1.024 1.00 0.00 C ATOM 384 CG PHE A 23 -1.364 7.129 -1.356 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.673 7.578 -2.499 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.983 8.071 -0.505 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.441 8.957 -2.688 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.752 9.450 -0.688 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.969 9.893 -1.774 1.00 0.00 C ATOM 0 H PHE A 23 0.589 4.229 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 23 0.327 5.507 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.848 5.131 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.150 5.524 -0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.321 6.866 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.635 7.734 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.141 9.296 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.174 10.166 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.774 10.947 -1.906 1.00 0.00 H new ATOM 399 N TYR A 24 -1.003 3.360 0.985 1.00 0.00 N ATOM 400 CA TYR A 24 -1.441 2.137 1.647 1.00 0.00 C ATOM 401 C TYR A 24 -2.789 2.357 2.325 1.00 0.00 C ATOM 402 O TYR A 24 -2.985 3.383 2.976 1.00 0.00 O ATOM 403 CB TYR A 24 -0.417 1.695 2.708 1.00 0.00 C ATOM 404 CG TYR A 24 -0.442 2.377 4.075 1.00 0.00 C ATOM 405 CD1 TYR A 24 0.092 3.671 4.250 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.986 1.700 5.194 1.00 0.00 C ATOM 407 CE1 TYR A 24 0.325 4.167 5.550 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.842 2.239 6.489 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.133 3.444 6.673 1.00 0.00 C ATOM 410 OH TYR A 24 0.099 3.912 7.935 1.00 0.00 O ATOM 0 H TYR A 24 -1.121 4.171 1.593 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.532 1.360 0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.548 0.625 2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.578 1.835 2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.322 4.281 3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.513 0.768 5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.853 5.099 5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.274 1.730 7.338 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.285 3.292 8.590 1.00 0.00 H new ATOM 420 N TYR A 25 -3.680 1.360 2.245 1.00 0.00 N ATOM 421 CA TYR A 25 -5.003 1.442 2.855 1.00 0.00 C ATOM 422 C TYR A 25 -4.863 1.164 4.355 1.00 0.00 C ATOM 423 O TYR A 25 -4.528 0.037 4.723 1.00 0.00 O ATOM 424 CB TYR A 25 -5.941 0.412 2.188 1.00 0.00 C ATOM 425 CG TYR A 25 -7.290 0.164 2.860 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.906 1.143 3.675 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.936 -1.078 2.673 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.084 0.836 4.386 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.178 -1.342 3.288 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.728 -0.404 4.188 1.00 0.00 C ATOM 431 OH TYR A 25 -10.886 -0.685 4.855 1.00 0.00 O ATOM 0 H TYR A 25 -3.501 0.482 1.758 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.432 2.434 2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.127 0.737 1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.412 -0.539 2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.472 2.129 3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.475 -1.833 2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.494 1.551 5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.706 -2.259 3.071 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.199 -1.579 4.604 1.00 0.00 H new ATOM 441 N ASN A 26 -5.134 2.164 5.222 1.00 0.00 N ATOM 442 CA ASN A 26 -5.055 1.958 6.656 1.00 0.00 C ATOM 443 C ASN A 26 -6.327 1.240 7.106 1.00 0.00 C ATOM 444 O ASN A 26 -7.393 1.856 7.182 1.00 0.00 O ATOM 445 CB ASN A 26 -4.913 3.299 7.402 1.00 0.00 C ATOM 446 CG ASN A 26 -3.968 4.312 6.765 1.00 0.00 C ATOM 447 OD1 ASN A 26 -4.224 4.787 5.662 1.00 0.00 O ATOM 448 ND2 ASN A 26 -2.893 4.661 7.474 1.00 0.00 N ATOM 0 H ASN A 26 -5.405 3.107 4.943 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.175 1.358 6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.900 3.753 7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.568 3.095 8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.240 5.352 7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.724 4.237 8.386 1.00 0.00 H new ATOM 455 N GLN A 27 -6.217 -0.066 7.398 1.00 0.00 N ATOM 456 CA GLN A 27 -7.335 -0.880 7.866 1.00 0.00 C ATOM 457 C GLN A 27 -7.490 -0.728 9.390 1.00 0.00 C ATOM 458 O GLN A 27 -7.645 -1.704 10.124 1.00 0.00 O ATOM 459 CB GLN A 27 -7.128 -2.346 7.446 1.00 0.00 C ATOM 460 CG GLN A 27 -6.945 -2.474 5.927 1.00 0.00 C ATOM 461 CD GLN A 27 -7.020 -3.919 5.429 1.00 0.00 C ATOM 462 OE1 GLN A 27 -6.924 -4.864 6.211 1.00 0.00 O ATOM 463 NE2 GLN A 27 -7.190 -4.095 4.116 1.00 0.00 N ATOM 0 H GLN A 27 -5.342 -0.584 7.313 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.262 -0.537 7.406 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.253 -2.752 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.985 -2.941 7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.711 -1.883 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.981 -2.050 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.266 -3.287 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.244 -5.038 3.731 1.00 0.00 H new ATOM 472 N LYS A 28 -7.435 0.530 9.840 1.00 0.00 N ATOM 473 CA LYS A 28 -7.577 1.036 11.203 1.00 0.00 C ATOM 474 C LYS A 28 -8.599 2.179 11.130 1.00 0.00 C ATOM 475 O LYS A 28 -9.472 2.336 11.982 1.00 0.00 O ATOM 476 CB LYS A 28 -6.224 1.501 11.777 1.00 0.00 C ATOM 477 CG LYS A 28 -5.120 0.427 11.705 1.00 0.00 C ATOM 478 CD LYS A 28 -4.236 0.589 10.454 1.00 0.00 C ATOM 479 CE LYS A 28 -3.313 -0.615 10.216 1.00 0.00 C ATOM 480 NZ LYS A 28 -4.061 -1.813 9.795 1.00 0.00 N ATOM 0 H LYS A 28 -7.273 1.297 9.187 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.922 0.256 11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.894 2.386 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.363 1.798 12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.498 0.486 12.598 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.577 -0.563 11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.873 0.731 9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.631 1.490 10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.577 -0.361 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.762 -0.835 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.393 -2.565 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.660 -2.141 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.659 -1.579 8.977 1.00 0.00 H new ATOM 494 N LYS A 29 -8.446 2.945 10.050 1.00 0.00 N ATOM 495 CA LYS A 29 -9.190 4.071 9.564 1.00 0.00 C ATOM 496 C LYS A 29 -10.181 3.552 8.563 1.00 0.00 C ATOM 497 O LYS A 29 -11.049 2.756 8.924 1.00 0.00 O ATOM 498 CB LYS A 29 -8.153 5.076 9.053 1.00 0.00 C ATOM 499 CG LYS A 29 -8.735 6.426 8.599 1.00 0.00 C ATOM 500 CD LYS A 29 -7.639 7.485 8.453 1.00 0.00 C ATOM 501 CE LYS A 29 -6.634 7.134 7.346 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.676 8.228 7.112 1.00 0.00 N ATOM 0 H LYS A 29 -7.676 2.744 9.412 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.789 4.602 10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.423 5.257 9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.614 4.629 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.251 6.300 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.477 6.765 9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.096 8.450 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.110 7.591 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.092 6.229 7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.171 6.917 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.046 7.975 6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.194 9.098 6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.111 8.384 7.971 1.00 0.00 H new ATOM 516 N LYS A 30 -10.017 3.979 7.316 1.00 0.00 N ATOM 517 CA LYS A 30 -10.960 3.700 6.265 1.00 0.00 C ATOM 518 C LYS A 30 -10.536 4.361 4.936 1.00 0.00 C ATOM 519 O LYS A 30 -11.408 4.645 4.114 1.00 0.00 O ATOM 520 CB LYS A 30 -12.324 4.239 6.752 1.00 0.00 C ATOM 521 CG LYS A 30 -12.249 5.707 7.141 1.00 0.00 C ATOM 522 CD LYS A 30 -13.574 6.357 7.573 1.00 0.00 C ATOM 523 CE LYS A 30 -14.251 5.691 8.783 1.00 0.00 C ATOM 524 NZ LYS A 30 -15.128 4.568 8.401 1.00 0.00 N ATOM 0 H LYS A 30 -9.215 4.533 7.014 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.012 2.630 6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.067 4.110 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.661 3.654 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.533 5.810 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.851 6.267 6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.389 7.405 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.265 6.337 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.485 5.330 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.836 6.436 9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.046 4.665 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.273 4.576 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.684 3.670 8.681 1.00 0.00 H new ATOM 538 N GLN A 31 -9.230 4.605 4.692 1.00 0.00 N ATOM 539 CA GLN A 31 -8.770 5.287 3.480 1.00 0.00 C ATOM 540 C GLN A 31 -7.263 5.073 3.293 1.00 0.00 C ATOM 541 O GLN A 31 -6.582 4.569 4.192 1.00 0.00 O ATOM 542 CB GLN A 31 -9.133 6.787 3.609 1.00 0.00 C ATOM 543 CG GLN A 31 -8.806 7.657 2.384 1.00 0.00 C ATOM 544 CD GLN A 31 -9.445 9.048 2.476 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.459 9.661 3.542 1.00 0.00 O ATOM 546 NE2 GLN A 31 -9.973 9.559 1.360 1.00 0.00 N ATOM 0 H GLN A 31 -8.479 4.335 5.327 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.257 4.879 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.200 6.868 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.610 7.196 4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.725 7.761 2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.156 7.157 1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.945 9.025 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.404 10.483 1.377 1.00 0.00 H new ATOM 555 N CYS A 32 -6.739 5.449 2.114 1.00 0.00 N ATOM 556 CA CYS A 32 -5.343 5.307 1.787 1.00 0.00 C ATOM 557 C CYS A 32 -4.557 6.527 2.231 1.00 0.00 C ATOM 558 O CYS A 32 -4.838 7.659 1.835 1.00 0.00 O ATOM 559 CB CYS A 32 -5.155 5.113 0.282 1.00 0.00 C ATOM 560 SG CYS A 32 -4.097 3.770 -0.311 1.00 0.00 S ATOM 0 H CYS A 32 -7.294 5.863 1.365 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.971 4.428 2.314 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.143 4.970 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.759 6.045 -0.122 1.00 0.00 H new ATOM 565 N GLU A 33 -3.575 6.252 3.077 1.00 0.00 N ATOM 566 CA GLU A 33 -2.599 7.192 3.577 1.00 0.00 C ATOM 567 C GLU A 33 -1.391 6.952 2.696 1.00 0.00 C ATOM 568 O GLU A 33 -1.262 5.932 2.032 1.00 0.00 O ATOM 569 CB GLU A 33 -2.295 6.886 5.030 1.00 0.00 C ATOM 570 CG GLU A 33 -1.090 7.456 5.750 1.00 0.00 C ATOM 571 CD GLU A 33 -1.069 8.985 5.790 1.00 0.00 C ATOM 572 OE1 GLU A 33 -1.966 9.552 6.451 1.00 0.00 O ATOM 573 OE2 GLU A 33 -0.157 9.562 5.157 1.00 0.00 O ATOM 0 H GLU A 33 -3.436 5.313 3.450 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.930 8.230 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.172 7.190 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.222 5.801 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.072 7.074 6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.183 7.101 5.261 1.00 0.00 H new ATOM 580 N GLY A 34 -0.471 7.888 2.726 1.00 0.00 N ATOM 581 CA GLY A 34 0.730 7.768 1.892 1.00 0.00 C ATOM 582 C GLY A 34 1.832 6.982 2.591 1.00 0.00 C ATOM 583 O GLY A 34 1.924 7.038 3.819 1.00 0.00 O ATOM 0 H GLY A 34 -0.516 8.729 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.473 7.276 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.098 8.763 1.640 1.00 0.00 H new ATOM 587 N PHE A 35 2.669 6.253 1.831 1.00 0.00 N ATOM 588 CA PHE A 35 3.738 5.483 2.454 1.00 0.00 C ATOM 589 C PHE A 35 4.938 5.585 1.496 1.00 0.00 C ATOM 590 O PHE A 35 4.754 5.642 0.276 1.00 0.00 O ATOM 591 CB PHE A 35 3.361 3.991 2.598 1.00 0.00 C ATOM 592 CG PHE A 35 3.587 3.026 1.445 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.658 2.857 0.409 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.775 2.259 1.442 1.00 0.00 C ATOM 595 CE1 PHE A 35 2.810 1.803 -0.515 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.958 1.233 0.492 1.00 0.00 C ATOM 597 CZ PHE A 35 3.964 0.992 -0.479 1.00 0.00 C ATOM 0 H PHE A 35 2.622 6.186 0.814 1.00 0.00 H new ATOM 0 HA PHE A 35 3.944 5.870 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.909 3.602 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.301 3.949 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.823 3.536 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.546 2.460 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.042 1.616 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.856 0.634 0.508 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.086 0.190 -1.192 1.00 0.00 H new ATOM 607 N THR A 36 6.163 5.579 2.031 1.00 0.00 N ATOM 608 CA THR A 36 7.377 5.635 1.217 1.00 0.00 C ATOM 609 C THR A 36 7.960 4.224 1.203 1.00 0.00 C ATOM 610 O THR A 36 8.440 3.753 2.236 1.00 0.00 O ATOM 611 CB THR A 36 8.389 6.666 1.750 1.00 0.00 C ATOM 612 OG1 THR A 36 7.794 7.949 1.807 1.00 0.00 O ATOM 613 CG2 THR A 36 9.604 6.724 0.806 1.00 0.00 C ATOM 0 H THR A 36 6.339 5.535 3.035 1.00 0.00 H new ATOM 0 HA THR A 36 7.140 5.966 0.206 1.00 0.00 H new ATOM 0 HB THR A 36 8.703 6.367 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.445 8.597 2.149 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.322 7.453 1.181 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.075 5.742 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.276 7.018 -0.191 1.00 0.00 H new ATOM 621 N TRP A 37 7.918 3.548 0.044 1.00 0.00 N ATOM 622 CA TRP A 37 8.461 2.185 -0.075 1.00 0.00 C ATOM 623 C TRP A 37 9.985 2.153 0.170 1.00 0.00 C ATOM 624 O TRP A 37 10.637 3.198 0.147 1.00 0.00 O ATOM 625 CB TRP A 37 8.110 1.687 -1.471 1.00 0.00 C ATOM 626 CG TRP A 37 8.454 0.294 -1.886 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.739 -0.821 -1.621 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.547 -0.128 -2.749 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.208 -1.858 -2.399 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.257 -1.448 -3.202 1.00 0.00 C ATOM 631 CE3 TRP A 37 10.672 0.519 -3.313 1.00 0.00 C ATOM 632 CZ2 TRP A 37 9.973 -2.038 -4.262 1.00 0.00 C ATOM 633 CZ3 TRP A 37 11.444 -0.106 -4.315 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.081 -1.371 -4.810 1.00 0.00 C ATOM 0 H TRP A 37 7.517 3.919 -0.818 1.00 0.00 H new ATOM 0 HA TRP A 37 8.026 1.536 0.685 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.033 1.803 -1.593 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.586 2.362 -2.183 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.928 -0.889 -0.911 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.830 -2.805 -2.384 1.00 0.00 H new ATOM 0 HE3 TRP A 37 10.944 1.507 -2.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.671 -2.999 -4.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.320 0.391 -4.705 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.650 -1.827 -5.606 1.00 0.00 H new ATOM 645 N SER A 38 10.561 0.962 0.413 1.00 0.00 N ATOM 646 CA SER A 38 11.991 0.798 0.672 1.00 0.00 C ATOM 647 C SER A 38 12.478 -0.543 0.115 1.00 0.00 C ATOM 648 O SER A 38 12.705 -1.497 0.853 1.00 0.00 O ATOM 649 CB SER A 38 12.284 0.954 2.175 1.00 0.00 C ATOM 650 OG SER A 38 11.936 2.242 2.638 1.00 0.00 O ATOM 0 H SER A 38 10.039 0.086 0.434 1.00 0.00 H new ATOM 0 HA SER A 38 12.546 1.581 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.728 0.202 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.343 0.773 2.361 1.00 0.00 H new ATOM 0 HG SER A 38 12.132 2.309 3.596 1.00 0.00 H new ATOM 656 N GLY A 39 12.640 -0.609 -1.211 1.00 0.00 N ATOM 657 CA GLY A 39 13.114 -1.781 -1.934 1.00 0.00 C ATOM 658 C GLY A 39 12.259 -3.041 -1.755 1.00 0.00 C ATOM 659 O GLY A 39 11.159 -3.012 -1.201 1.00 0.00 O ATOM 0 H GLY A 39 12.437 0.180 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.161 -1.540 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.132 -2.002 -1.612 1.00 0.00 H new ATOM 663 N CYS A 40 12.819 -4.147 -2.259 1.00 0.00 N ATOM 664 CA CYS A 40 12.307 -5.509 -2.264 1.00 0.00 C ATOM 665 C CYS A 40 11.944 -5.997 -0.846 1.00 0.00 C ATOM 666 O CYS A 40 12.775 -6.573 -0.146 1.00 0.00 O ATOM 667 CB CYS A 40 13.358 -6.404 -2.964 1.00 0.00 C ATOM 668 SG CYS A 40 15.002 -6.705 -2.205 1.00 0.00 S ATOM 0 H CYS A 40 13.730 -4.098 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 40 11.370 -5.558 -2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.895 -7.379 -3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.536 -5.975 -3.950 1.00 0.00 H new ATOM 673 N GLY A 41 10.686 -5.776 -0.427 1.00 0.00 N ATOM 674 CA GLY A 41 10.169 -6.168 0.880 1.00 0.00 C ATOM 675 C GLY A 41 9.473 -7.530 0.801 1.00 0.00 C ATOM 676 O GLY A 41 10.070 -8.535 1.187 1.00 0.00 O ATOM 0 H GLY A 41 9.990 -5.308 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.985 -6.213 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.467 -5.416 1.239 1.00 0.00 H new ATOM 680 N GLY A 42 8.222 -7.573 0.311 1.00 0.00 N ATOM 681 CA GLY A 42 7.466 -8.815 0.196 1.00 0.00 C ATOM 682 C GLY A 42 6.058 -8.630 -0.382 1.00 0.00 C ATOM 683 O GLY A 42 5.751 -9.191 -1.434 1.00 0.00 O ATOM 0 H GLY A 42 7.716 -6.749 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.020 -9.510 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.387 -9.274 1.181 1.00 0.00 H new ATOM 687 N ASN A 43 5.200 -7.856 0.304 1.00 0.00 N ATOM 688 CA ASN A 43 3.806 -7.602 -0.085 1.00 0.00 C ATOM 689 C ASN A 43 3.699 -6.658 -1.300 1.00 0.00 C ATOM 690 O ASN A 43 4.659 -6.474 -2.049 1.00 0.00 O ATOM 691 CB ASN A 43 3.017 -7.027 1.118 1.00 0.00 C ATOM 692 CG ASN A 43 3.337 -7.671 2.473 1.00 0.00 C ATOM 693 OD1 ASN A 43 3.629 -6.972 3.442 1.00 0.00 O ATOM 694 ND2 ASN A 43 3.281 -9.004 2.548 1.00 0.00 N ATOM 0 H ASN A 43 5.465 -7.379 1.166 1.00 0.00 H new ATOM 0 HA ASN A 43 3.370 -8.556 -0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.216 -5.957 1.185 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.951 -7.141 0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.484 -9.474 3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.035 -9.551 1.723 1.00 0.00 H new ATOM 701 N SER A 44 2.508 -6.065 -1.489 1.00 0.00 N ATOM 702 CA SER A 44 2.181 -5.126 -2.553 1.00 0.00 C ATOM 703 C SER A 44 1.533 -3.891 -1.910 1.00 0.00 C ATOM 704 O SER A 44 2.261 -3.008 -1.452 1.00 0.00 O ATOM 705 CB SER A 44 1.293 -5.813 -3.606 1.00 0.00 C ATOM 706 OG SER A 44 2.001 -6.849 -4.257 1.00 0.00 O ATOM 0 H SER A 44 1.716 -6.242 -0.870 1.00 0.00 H new ATOM 0 HA SER A 44 3.071 -4.796 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.402 -6.219 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.956 -5.080 -4.339 1.00 0.00 H new ATOM 0 HG SER A 44 1.420 -7.275 -4.921 1.00 0.00 H new ATOM 712 N ASN A 45 0.188 -3.822 -1.860 1.00 0.00 N ATOM 713 CA ASN A 45 -0.584 -2.701 -1.294 1.00 0.00 C ATOM 714 C ASN A 45 -0.110 -1.322 -1.816 1.00 0.00 C ATOM 715 O ASN A 45 -0.233 -0.287 -1.169 1.00 0.00 O ATOM 716 CB ASN A 45 -0.683 -2.952 0.235 1.00 0.00 C ATOM 717 CG ASN A 45 -0.991 -1.740 1.108 1.00 0.00 C ATOM 718 OD1 ASN A 45 -0.079 -0.966 1.372 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.227 -1.586 1.599 1.00 0.00 N ATOM 0 H ASN A 45 -0.407 -4.567 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.614 -2.658 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.456 -3.701 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.260 -3.383 0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.436 -0.802 2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.959 -2.253 1.355 1.00 0.00 H new ATOM 726 N ARG A 46 0.412 -1.325 -3.046 1.00 0.00 N ATOM 727 CA ARG A 46 0.936 -0.192 -3.779 1.00 0.00 C ATOM 728 C ARG A 46 -0.124 0.494 -4.656 1.00 0.00 C ATOM 729 O ARG A 46 -0.450 -0.009 -5.731 1.00 0.00 O ATOM 730 CB ARG A 46 2.112 -0.723 -4.593 1.00 0.00 C ATOM 731 CG ARG A 46 2.898 0.435 -5.231 1.00 0.00 C ATOM 732 CD ARG A 46 4.000 -0.063 -6.165 1.00 0.00 C ATOM 733 NE ARG A 46 4.995 -0.880 -5.454 1.00 0.00 N ATOM 734 CZ ARG A 46 6.024 -1.530 -6.026 1.00 0.00 C ATOM 735 NH1 ARG A 46 6.281 -1.414 -7.339 1.00 0.00 N ATOM 736 NH2 ARG A 46 6.805 -2.313 -5.271 1.00 0.00 N ATOM 0 H ARG A 46 0.480 -2.188 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 46 1.258 0.592 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.772 -1.306 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.749 -1.395 -5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.213 1.074 -5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.339 1.049 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.556 -0.650 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.495 0.790 -6.629 1.00 0.00 H new ATOM 0 HE ARG A 46 4.896 -0.960 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.690 -0.823 -7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.067 -1.916 -7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.616 -2.411 -4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.588 -2.811 -5.693 1.00 0.00 H new ATOM 750 N PHE A 47 -0.631 1.653 -4.218 1.00 0.00 N ATOM 751 CA PHE A 47 -1.608 2.495 -4.854 1.00 0.00 C ATOM 752 C PHE A 47 -1.056 3.915 -5.007 1.00 0.00 C ATOM 753 O PHE A 47 -0.624 4.518 -4.030 1.00 0.00 O ATOM 754 CB PHE A 47 -2.885 2.414 -4.021 1.00 0.00 C ATOM 755 CG PHE A 47 -3.264 1.020 -3.535 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.823 0.107 -4.459 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.039 0.615 -2.201 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.119 -1.213 -4.062 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.393 -0.687 -1.791 1.00 0.00 C ATOM 760 CZ PHE A 47 -3.886 -1.615 -2.732 1.00 0.00 C ATOM 0 H PHE A 47 -0.329 2.046 -3.327 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.840 2.166 -5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.774 3.065 -3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.710 2.810 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.024 0.422 -5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.596 1.302 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.524 -1.915 -4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.287 -0.974 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.085 -2.634 -2.433 1.00 0.00 H new ATOM 770 N LYS A 48 -1.071 4.443 -6.238 1.00 0.00 N ATOM 771 CA LYS A 48 -0.581 5.751 -6.629 1.00 0.00 C ATOM 772 C LYS A 48 -1.411 6.899 -6.054 1.00 0.00 C ATOM 773 O LYS A 48 -0.836 7.862 -5.550 1.00 0.00 O ATOM 774 CB LYS A 48 -0.585 5.787 -8.159 1.00 0.00 C ATOM 775 CG LYS A 48 0.537 4.916 -8.744 1.00 0.00 C ATOM 776 CD LYS A 48 0.610 5.114 -10.261 1.00 0.00 C ATOM 777 CE LYS A 48 1.710 4.264 -10.913 1.00 0.00 C ATOM 778 NZ LYS A 48 1.444 2.819 -10.798 1.00 0.00 N ATOM 0 H LYS A 48 -1.452 3.927 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 48 0.422 5.896 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.549 5.439 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.465 6.815 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.491 5.180 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.353 3.867 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.353 4.859 -10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.792 6.167 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.797 4.532 -11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.668 4.493 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.168 2.290 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.471 2.540 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.505 2.606 -11.191 1.00 0.00 H new ATOM 792 N THR A 49 -2.742 6.824 -6.174 1.00 0.00 N ATOM 793 CA THR A 49 -3.666 7.833 -5.653 1.00 0.00 C ATOM 794 C THR A 49 -4.636 7.158 -4.672 1.00 0.00 C ATOM 795 O THR A 49 -4.814 5.939 -4.673 1.00 0.00 O ATOM 796 CB THR A 49 -4.402 8.568 -6.797 1.00 0.00 C ATOM 797 OG1 THR A 49 -4.835 7.684 -7.809 1.00 0.00 O ATOM 798 CG2 THR A 49 -3.495 9.642 -7.416 1.00 0.00 C ATOM 0 H THR A 49 -3.212 6.049 -6.643 1.00 0.00 H new ATOM 0 HA THR A 49 -3.107 8.600 -5.117 1.00 0.00 H new ATOM 0 HB THR A 49 -5.283 9.035 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.296 8.190 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.028 10.150 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.215 10.367 -6.651 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.597 9.173 -7.817 1.00 0.00 H new ATOM 806 N ILE A 50 -5.259 7.978 -3.818 1.00 0.00 N ATOM 807 CA ILE A 50 -6.207 7.557 -2.789 1.00 0.00 C ATOM 808 C ILE A 50 -7.518 7.017 -3.376 1.00 0.00 C ATOM 809 O ILE A 50 -8.166 6.156 -2.779 1.00 0.00 O ATOM 810 CB ILE A 50 -6.484 8.747 -1.830 1.00 0.00 C ATOM 811 CG1 ILE A 50 -5.173 9.317 -1.243 1.00 0.00 C ATOM 812 CG2 ILE A 50 -7.410 8.308 -0.681 1.00 0.00 C ATOM 813 CD1 ILE A 50 -5.375 10.557 -0.359 1.00 0.00 C ATOM 0 H ILE A 50 -5.110 8.987 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.756 6.732 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.971 9.529 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.681 8.541 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.500 9.572 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.594 9.154 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.357 7.956 -1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.936 7.503 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.410 10.898 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.838 11.351 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.021 10.303 0.481 1.00 0.00 H new ATOM 825 N GLU A 51 -7.887 7.488 -4.568 1.00 0.00 N ATOM 826 CA GLU A 51 -9.122 7.106 -5.238 1.00 0.00 C ATOM 827 C GLU A 51 -8.976 5.691 -5.733 1.00 0.00 C ATOM 828 O GLU A 51 -9.765 4.822 -5.396 1.00 0.00 O ATOM 829 CB GLU A 51 -9.443 8.097 -6.369 1.00 0.00 C ATOM 830 CG GLU A 51 -9.450 9.545 -5.860 1.00 0.00 C ATOM 831 CD GLU A 51 -10.101 10.495 -6.867 1.00 0.00 C ATOM 832 OE1 GLU A 51 -9.386 10.910 -7.805 1.00 0.00 O ATOM 833 OE2 GLU A 51 -11.304 10.784 -6.687 1.00 0.00 O ATOM 0 H GLU A 51 -7.326 8.154 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.964 7.143 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.706 7.993 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.415 7.857 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.987 9.595 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.427 9.867 -5.664 1.00 0.00 H new ATOM 840 N GLU A 52 -7.923 5.515 -6.514 1.00 0.00 N ATOM 841 CA GLU A 52 -7.422 4.290 -7.107 1.00 0.00 C ATOM 842 C GLU A 52 -7.327 3.193 -6.042 1.00 0.00 C ATOM 843 O GLU A 52 -7.701 2.046 -6.287 1.00 0.00 O ATOM 844 CB GLU A 52 -6.031 4.644 -7.670 1.00 0.00 C ATOM 845 CG GLU A 52 -6.099 5.244 -9.081 1.00 0.00 C ATOM 846 CD GLU A 52 -6.680 4.275 -10.112 1.00 0.00 C ATOM 847 OE1 GLU A 52 -6.103 3.175 -10.254 1.00 0.00 O ATOM 848 OE2 GLU A 52 -7.693 4.649 -10.744 1.00 0.00 O ATOM 0 H GLU A 52 -7.339 6.310 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.078 3.910 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.542 5.353 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.413 3.747 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.707 6.148 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.098 5.541 -9.393 1.00 0.00 H new ATOM 855 N CYS A 53 -6.824 3.565 -4.857 1.00 0.00 N ATOM 856 CA CYS A 53 -6.696 2.699 -3.700 1.00 0.00 C ATOM 857 C CYS A 53 -8.090 2.257 -3.271 1.00 0.00 C ATOM 858 O CYS A 53 -8.358 1.060 -3.177 1.00 0.00 O ATOM 859 CB CYS A 53 -6.042 3.478 -2.560 1.00 0.00 C ATOM 860 SG CYS A 53 -5.438 2.491 -1.166 1.00 0.00 S ATOM 0 H CYS A 53 -6.486 4.512 -4.682 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.085 1.830 -3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.205 4.045 -2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.763 4.202 -2.181 1.00 0.00 H new ATOM 865 N ARG A 54 -8.972 3.245 -3.031 1.00 0.00 N ATOM 866 CA ARG A 54 -10.340 2.947 -2.607 1.00 0.00 C ATOM 867 C ARG A 54 -11.182 2.237 -3.694 1.00 0.00 C ATOM 868 O ARG A 54 -12.066 1.460 -3.344 1.00 0.00 O ATOM 869 CB ARG A 54 -11.036 4.204 -2.064 1.00 0.00 C ATOM 870 CG ARG A 54 -10.387 4.712 -0.757 1.00 0.00 C ATOM 871 CD ARG A 54 -11.400 5.474 0.107 1.00 0.00 C ATOM 872 NE ARG A 54 -11.735 6.779 -0.480 1.00 0.00 N ATOM 873 CZ ARG A 54 -12.390 7.774 0.146 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.789 7.651 1.423 1.00 0.00 N ATOM 875 NH2 ARG A 54 -12.645 8.911 -0.516 1.00 0.00 N ATOM 0 H ARG A 54 -8.761 4.239 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.261 2.228 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.998 4.992 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.089 3.985 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.988 3.868 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.546 5.363 -0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.307 4.879 0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.991 5.618 1.107 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.446 6.945 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.597 6.791 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.284 8.418 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.343 9.016 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.141 9.672 -0.051 1.00 0.00 H new ATOM 889 N ARG A 55 -10.950 2.442 -5.001 1.00 0.00 N ATOM 890 CA ARG A 55 -11.708 1.765 -6.054 1.00 0.00 C ATOM 891 C ARG A 55 -11.631 0.233 -5.938 1.00 0.00 C ATOM 892 O ARG A 55 -12.582 -0.484 -6.243 1.00 0.00 O ATOM 893 CB ARG A 55 -11.090 2.121 -7.415 1.00 0.00 C ATOM 894 CG ARG A 55 -11.476 3.506 -7.955 1.00 0.00 C ATOM 895 CD ARG A 55 -11.433 3.563 -9.490 1.00 0.00 C ATOM 896 NE ARG A 55 -10.138 3.106 -10.028 1.00 0.00 N ATOM 897 CZ ARG A 55 -9.872 1.910 -10.593 1.00 0.00 C ATOM 898 NH1 ARG A 55 -10.818 0.969 -10.748 1.00 0.00 N ATOM 899 NH2 ARG A 55 -8.628 1.646 -11.015 1.00 0.00 N ATOM 0 H ARG A 55 -10.235 3.079 -5.351 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.745 2.087 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.005 2.069 -7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.389 1.367 -8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.478 3.762 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.798 4.255 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.233 2.944 -9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.621 4.585 -9.819 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.361 3.764 -9.966 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.772 1.148 -10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.582 0.075 -11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.894 2.346 -10.908 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.415 0.745 -11.444 1.00 0.00 H new ATOM 913 N THR A 56 -10.450 -0.223 -5.525 1.00 0.00 N ATOM 914 CA THR A 56 -10.014 -1.593 -5.374 1.00 0.00 C ATOM 915 C THR A 56 -10.319 -2.150 -3.983 1.00 0.00 C ATOM 916 O THR A 56 -11.152 -3.045 -3.855 1.00 0.00 O ATOM 917 CB THR A 56 -8.496 -1.634 -5.683 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.243 -1.121 -6.979 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.929 -3.056 -5.625 1.00 0.00 C ATOM 0 H THR A 56 -9.709 0.428 -5.265 1.00 0.00 H new ATOM 0 HA THR A 56 -10.562 -2.231 -6.068 1.00 0.00 H new ATOM 0 HB THR A 56 -8.011 -1.026 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.047 -0.163 -6.919 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.862 -3.032 -5.849 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.081 -3.468 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.439 -3.681 -6.358 1.00 0.00 H new ATOM 927 N CYS A 57 -9.659 -1.616 -2.946 1.00 0.00 N ATOM 928 CA CYS A 57 -9.740 -2.044 -1.574 1.00 0.00 C ATOM 929 C CYS A 57 -11.003 -1.616 -0.844 1.00 0.00 C ATOM 930 O CYS A 57 -11.344 -2.241 0.161 1.00 0.00 O ATOM 931 CB CYS A 57 -8.495 -1.502 -0.871 1.00 0.00 C ATOM 932 SG CYS A 57 -6.885 -2.036 -1.524 1.00 0.00 S ATOM 0 H CYS A 57 -9.022 -0.829 -3.067 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.786 -3.133 -1.559 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.532 -0.413 -0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.547 -1.788 0.180 1.00 0.00 H new ATOM 937 N ILE A 58 -11.673 -0.563 -1.325 1.00 0.00 N ATOM 938 CA ILE A 58 -12.919 -0.082 -0.702 1.00 0.00 C ATOM 939 C ILE A 58 -14.155 -0.434 -1.546 1.00 0.00 C ATOM 940 O ILE A 58 -15.274 -0.442 -1.033 1.00 0.00 O ATOM 941 CB ILE A 58 -12.858 1.406 -0.318 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.616 1.725 0.537 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.105 1.849 0.473 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.531 1.029 1.885 1.00 0.00 C ATOM 0 H ILE A 58 -11.378 -0.027 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.025 -0.620 0.240 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.809 1.951 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.728 1.465 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.583 2.801 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.020 2.906 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.996 1.690 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.181 1.264 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.616 1.332 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.392 1.306 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.524 -0.051 1.737 1.00 0.00 H new ATOM 956 N ARG A 59 -13.948 -0.751 -2.828 1.00 0.00 N ATOM 957 CA ARG A 59 -14.963 -1.132 -3.797 1.00 0.00 C ATOM 958 C ARG A 59 -15.826 0.097 -4.144 1.00 0.00 C ATOM 959 O ARG A 59 -15.270 1.142 -4.484 1.00 0.00 O ATOM 960 CB ARG A 59 -15.706 -2.384 -3.265 1.00 0.00 C ATOM 961 CG ARG A 59 -15.974 -3.402 -4.376 1.00 0.00 C ATOM 962 CD ARG A 59 -17.006 -2.927 -5.407 1.00 0.00 C ATOM 963 NE ARG A 59 -17.292 -3.978 -6.393 1.00 0.00 N ATOM 964 CZ ARG A 59 -17.977 -3.818 -7.540 1.00 0.00 C ATOM 965 NH1 ARG A 59 -18.495 -2.628 -7.883 1.00 0.00 N ATOM 966 NH2 ARG A 59 -18.147 -4.869 -8.354 1.00 0.00 N ATOM 0 H ARG A 59 -13.012 -0.746 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.546 -1.440 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.113 -2.852 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.651 -2.081 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.037 -3.624 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.322 -4.333 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.927 -2.641 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.633 -2.038 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.939 -4.913 -6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.373 -1.823 -7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.011 -2.529 -8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.759 -5.778 -8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.664 -4.760 -9.226 1.00 0.00 H new ATOM 980 N LYS A 60 -17.162 -0.007 -4.069 1.00 0.00 N ATOM 981 CA LYS A 60 -18.096 1.076 -4.368 1.00 0.00 C ATOM 982 C LYS A 60 -18.176 2.017 -3.158 1.00 0.00 C ATOM 983 O LYS A 60 -18.615 1.545 -2.085 1.00 0.00 O ATOM 984 CB LYS A 60 -19.471 0.476 -4.723 1.00 0.00 C ATOM 985 CG LYS A 60 -20.564 1.519 -5.021 1.00 0.00 C ATOM 986 CD LYS A 60 -20.230 2.413 -6.228 1.00 0.00 C ATOM 987 CE LYS A 60 -21.374 3.376 -6.578 1.00 0.00 C ATOM 988 NZ LYS A 60 -22.578 2.671 -7.055 1.00 0.00 N ATOM 989 OXT LYS A 60 -17.793 3.196 -3.324 1.00 0.00 O ATOM 0 H LYS A 60 -17.629 -0.870 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 60 -17.754 1.657 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.357 -0.171 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.803 -0.154 -3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -21.507 1.005 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -20.710 2.146 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -19.329 2.987 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -20.010 1.785 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -21.628 3.969 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.037 4.073 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -23.256 3.361 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.313 1.997 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -23.015 2.157 -6.264 1.00 0.00 H new TER 1003 LYS A 60