USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 ASN : amide:sc= 0.373 K(o=0.37,f=-4.8!) USER MOD Single : A 1 ASN N :NH3+ 147:sc= 0.368 (180deg=-0.911) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00889) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.493 F(o=-1.4,f=-0.49) USER MOD Single : A 9 LYS NZ :NH3+ 152:sc= -0.183 (180deg=-0.82) USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= 0.719 (180deg=-0.00827) USER MOD Single : A 18 TYR OH : rot 157:sc= -1.62 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.49 F(o=-3!,f=-1.5) USER MOD Single : A 24 THR OG1 : rot 31:sc= 0.376 USER MOD Single : A 25 SER OG : rot 180:sc= 0.073 USER MOD Single : A 35 TYR OH : rot -85:sc= 0.252 USER MOD Single : A 36 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.27) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -128:sc= -1.07 (180deg=-1.78!) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.785 F(o=-2.3,f=-0.79) USER MOD Single : A 49 MET CE :methyl -157:sc= -2.84 (180deg=-4.3!) USER MOD Single : A 50 TYR OH : rot -156:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -63:sc= 0.0357 USER MOD Single : A 60 ASN : amide:sc= -4.15! C(o=-4.1!,f=-13!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.18 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -8.322 -1.214 -0.647 1.00 0.00 N ATOM 2 CA ASN A 1 -9.519 -1.391 -1.509 1.00 0.00 C ATOM 3 C ASN A 1 -10.751 -0.745 -0.882 1.00 0.00 C ATOM 4 O ASN A 1 -10.661 -0.099 0.162 1.00 0.00 O ATOM 5 CB ASN A 1 -9.756 -2.889 -1.714 1.00 0.00 C ATOM 6 CG ASN A 1 -8.655 -3.541 -2.527 1.00 0.00 C ATOM 7 OD1 ASN A 1 -7.478 -3.212 -2.379 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.033 -4.475 -3.393 1.00 0.00 N ATOM 0 H1 ASN A 1 -7.700 -2.042 -0.743 1.00 0.00 H new ATOM 0 H2 ASN A 1 -7.807 -0.359 -0.939 1.00 0.00 H new ATOM 0 H3 ASN A 1 -8.620 -1.117 0.345 1.00 0.00 H new ATOM 0 HA ASN A 1 -9.344 -0.903 -2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -9.826 -3.379 -0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -10.712 -3.038 -2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -8.336 -4.950 -3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.020 -4.717 -3.484 1.00 0.00 H new ATOM 16 N LYS A 2 -11.899 -0.922 -1.527 1.00 0.00 N ATOM 17 CA LYS A 2 -13.148 -0.357 -1.033 1.00 0.00 C ATOM 18 C LYS A 2 -13.767 -1.252 0.037 1.00 0.00 C ATOM 19 O LYS A 2 -14.458 -0.773 0.936 1.00 0.00 O ATOM 20 CB LYS A 2 -14.136 -0.164 -2.185 1.00 0.00 C ATOM 21 CG LYS A 2 -13.736 0.940 -3.151 1.00 0.00 C ATOM 22 CD LYS A 2 -12.851 0.410 -4.267 1.00 0.00 C ATOM 23 CE LYS A 2 -13.050 1.191 -5.555 1.00 0.00 C ATOM 24 NZ LYS A 2 -14.315 0.813 -6.243 1.00 0.00 N ATOM 0 H LYS A 2 -11.990 -1.453 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.926 0.612 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.228 -1.101 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.120 0.063 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.631 1.393 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.209 1.726 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.806 0.469 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.074 -0.643 -4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.062 2.258 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.207 1.013 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.365 1.291 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.338 -0.217 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.127 1.100 -5.660 1.00 0.00 H new ATOM 38 N GLU A 3 -13.515 -2.553 -0.067 1.00 0.00 N ATOM 39 CA GLU A 3 -14.048 -3.514 0.892 1.00 0.00 C ATOM 40 C GLU A 3 -13.209 -4.787 0.909 1.00 0.00 C ATOM 41 O GLU A 3 -13.460 -5.718 0.143 1.00 0.00 O ATOM 42 CB GLU A 3 -15.501 -3.850 0.554 1.00 0.00 C ATOM 43 CG GLU A 3 -16.510 -2.930 1.222 1.00 0.00 C ATOM 44 CD GLU A 3 -16.353 -2.887 2.729 1.00 0.00 C ATOM 45 OE1 GLU A 3 -15.557 -2.060 3.220 1.00 0.00 O ATOM 46 OE2 GLU A 3 -17.025 -3.683 3.418 1.00 0.00 O ATOM 0 H GLU A 3 -12.945 -2.966 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.009 -3.062 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.635 -3.799 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.706 -4.878 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.399 -1.923 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.518 -3.263 0.975 1.00 0.00 H new ATOM 53 N LEU A 4 -12.214 -4.822 1.787 1.00 0.00 N ATOM 54 CA LEU A 4 -11.337 -5.984 1.906 1.00 0.00 C ATOM 55 C LEU A 4 -11.662 -6.782 3.164 1.00 0.00 C ATOM 56 O LEU A 4 -11.855 -7.997 3.111 1.00 0.00 O ATOM 57 CB LEU A 4 -9.860 -5.557 1.922 1.00 0.00 C ATOM 58 CG LEU A 4 -9.601 -4.056 2.094 1.00 0.00 C ATOM 59 CD1 LEU A 4 -9.750 -3.646 3.552 1.00 0.00 C ATOM 60 CD2 LEU A 4 -8.216 -3.696 1.579 1.00 0.00 C ATOM 0 H LEU A 4 -11.993 -4.060 2.428 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.507 -6.618 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.357 -6.088 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.397 -5.882 0.990 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.343 -3.511 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.562 -2.577 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.762 -3.869 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.033 -4.198 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.046 -2.627 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.464 -4.253 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.144 -3.950 0.521 1.00 0.00 H new ATOM 72 N ASP A 5 -11.717 -6.088 4.297 1.00 0.00 N ATOM 73 CA ASP A 5 -12.015 -6.719 5.580 1.00 0.00 C ATOM 74 C ASP A 5 -11.747 -5.745 6.723 1.00 0.00 C ATOM 75 O ASP A 5 -11.214 -4.656 6.506 1.00 0.00 O ATOM 76 CB ASP A 5 -11.176 -7.988 5.764 1.00 0.00 C ATOM 77 CG ASP A 5 -12.019 -9.247 5.736 1.00 0.00 C ATOM 78 OD1 ASP A 5 -13.100 -9.225 5.111 1.00 0.00 O ATOM 79 OD2 ASP A 5 -11.599 -10.257 6.340 1.00 0.00 O ATOM 0 H ASP A 5 -11.558 -5.082 4.353 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.070 -6.995 5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.424 -8.040 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.642 -7.933 6.712 1.00 0.00 H new ATOM 84 N PRO A 6 -12.109 -6.119 7.961 1.00 0.00 N ATOM 85 CA PRO A 6 -11.900 -5.267 9.132 1.00 0.00 C ATOM 86 C PRO A 6 -10.453 -5.292 9.620 1.00 0.00 C ATOM 87 O PRO A 6 -10.189 -5.561 10.793 1.00 0.00 O ATOM 88 CB PRO A 6 -12.828 -5.885 10.175 1.00 0.00 C ATOM 89 CG PRO A 6 -12.886 -7.330 9.817 1.00 0.00 C ATOM 90 CD PRO A 6 -12.753 -7.400 8.316 1.00 0.00 C ATOM 0 HA PRO A 6 -12.106 -4.218 8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.442 -5.742 11.184 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.818 -5.429 10.145 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.084 -7.884 10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.826 -7.774 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.147 -8.252 8.007 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.724 -7.507 7.833 1.00 0.00 H new ATOM 98 N VAL A 7 -9.519 -5.006 8.716 1.00 0.00 N ATOM 99 CA VAL A 7 -8.101 -4.995 9.059 1.00 0.00 C ATOM 100 C VAL A 7 -7.241 -4.653 7.846 1.00 0.00 C ATOM 101 O VAL A 7 -6.324 -3.838 7.935 1.00 0.00 O ATOM 102 CB VAL A 7 -7.650 -6.354 9.633 1.00 0.00 C ATOM 103 CG1 VAL A 7 -7.855 -7.464 8.612 1.00 0.00 C ATOM 104 CG2 VAL A 7 -6.196 -6.295 10.080 1.00 0.00 C ATOM 0 H VAL A 7 -9.719 -4.779 7.742 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.967 -4.226 9.820 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.265 -6.576 10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.531 -8.414 9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.911 -7.526 8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.270 -7.248 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.899 -7.264 10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.563 -6.046 9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.083 -5.533 10.851 1.00 0.00 H new ATOM 114 N GLN A 8 -7.540 -5.281 6.713 1.00 0.00 N ATOM 115 CA GLN A 8 -6.790 -5.039 5.485 1.00 0.00 C ATOM 116 C GLN A 8 -6.770 -3.551 5.136 1.00 0.00 C ATOM 117 O GLN A 8 -5.877 -3.082 4.430 1.00 0.00 O ATOM 118 CB GLN A 8 -7.392 -5.841 4.329 1.00 0.00 C ATOM 119 CG GLN A 8 -6.428 -6.845 3.718 1.00 0.00 C ATOM 120 CD GLN A 8 -5.819 -7.773 4.751 1.00 0.00 C ATOM 121 OE1 GLN A 8 -6.649 -8.273 5.659 1.00 0.00 O flip ATOM 122 NE2 GLN A 8 -4.617 -8.038 4.733 1.00 0.00 N flip ATOM 0 H GLN A 8 -8.295 -5.960 6.620 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.763 -5.365 5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.276 -6.370 4.686 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.725 -5.151 3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.953 -7.437 2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.631 -6.310 3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.016 -7.631 4.017 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.222 -8.665 5.434 1.00 0.00 H new ATOM 131 N LYS A 9 -7.759 -2.813 5.634 1.00 0.00 N ATOM 132 CA LYS A 9 -7.849 -1.381 5.371 1.00 0.00 C ATOM 133 C LYS A 9 -6.738 -0.625 6.088 1.00 0.00 C ATOM 134 O LYS A 9 -6.050 0.201 5.487 1.00 0.00 O ATOM 135 CB LYS A 9 -9.215 -0.844 5.806 1.00 0.00 C ATOM 136 CG LYS A 9 -9.508 -1.050 7.283 1.00 0.00 C ATOM 137 CD LYS A 9 -10.925 -0.624 7.634 1.00 0.00 C ATOM 138 CE LYS A 9 -11.054 -0.288 9.111 1.00 0.00 C ATOM 139 NZ LYS A 9 -10.145 0.821 9.511 1.00 0.00 N ATOM 0 H LYS A 9 -8.507 -3.183 6.220 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.733 -1.227 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.266 0.221 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.992 -1.333 5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.368 -2.100 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.797 -0.479 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.204 0.244 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.621 -1.424 7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.085 -0.010 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.829 -1.174 9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.555 1.332 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.220 0.431 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.024 1.476 8.712 1.00 0.00 H new ATOM 153 N LEU A 10 -6.559 -0.914 7.373 1.00 0.00 N ATOM 154 CA LEU A 10 -5.521 -0.258 8.162 1.00 0.00 C ATOM 155 C LEU A 10 -4.153 -0.458 7.518 1.00 0.00 C ATOM 156 O LEU A 10 -3.267 0.388 7.638 1.00 0.00 O ATOM 157 CB LEU A 10 -5.518 -0.797 9.598 1.00 0.00 C ATOM 158 CG LEU A 10 -4.754 -2.108 9.810 1.00 0.00 C ATOM 159 CD1 LEU A 10 -3.324 -1.826 10.246 1.00 0.00 C ATOM 160 CD2 LEU A 10 -5.467 -2.981 10.835 1.00 0.00 C ATOM 0 H LEU A 10 -7.116 -1.595 7.889 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.736 0.810 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.089 -0.037 10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.551 -0.944 9.914 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.723 -2.648 8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.796 -2.768 10.392 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.818 -1.242 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.332 -1.266 11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.911 -3.908 10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.529 -2.450 11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.472 -3.210 10.481 1.00 0.00 H new ATOM 172 N PHE A 11 -3.996 -1.583 6.828 1.00 0.00 N ATOM 173 CA PHE A 11 -2.745 -1.901 6.156 1.00 0.00 C ATOM 174 C PHE A 11 -2.459 -0.897 5.049 1.00 0.00 C ATOM 175 O PHE A 11 -1.407 -0.257 5.032 1.00 0.00 O ATOM 176 CB PHE A 11 -2.804 -3.315 5.571 1.00 0.00 C ATOM 177 CG PHE A 11 -1.470 -4.006 5.506 1.00 0.00 C ATOM 178 CD1 PHE A 11 -0.296 -3.274 5.420 1.00 0.00 C ATOM 179 CD2 PHE A 11 -1.393 -5.388 5.531 1.00 0.00 C ATOM 180 CE1 PHE A 11 0.930 -3.909 5.362 1.00 0.00 C ATOM 181 CE2 PHE A 11 -0.169 -6.029 5.472 1.00 0.00 C ATOM 182 CZ PHE A 11 0.994 -5.288 5.389 1.00 0.00 C ATOM 0 H PHE A 11 -4.723 -2.290 6.720 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.941 -1.850 6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.485 -3.918 6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.225 -3.264 4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.340 -2.195 5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.299 -5.972 5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.837 -3.327 5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.122 -7.108 5.491 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.951 -5.786 5.345 1.00 0.00 H new ATOM 192 N VAL A 12 -3.404 -0.763 4.124 1.00 0.00 N ATOM 193 CA VAL A 12 -3.258 0.164 3.010 1.00 0.00 C ATOM 194 C VAL A 12 -3.034 1.588 3.501 1.00 0.00 C ATOM 195 O VAL A 12 -2.381 2.389 2.833 1.00 0.00 O ATOM 196 CB VAL A 12 -4.494 0.130 2.093 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.301 1.045 0.893 1.00 0.00 C ATOM 198 CG2 VAL A 12 -4.787 -1.294 1.645 1.00 0.00 C ATOM 0 H VAL A 12 -4.280 -1.286 4.125 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.384 -0.156 2.442 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.351 0.493 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.187 1.005 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.146 2.068 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.431 0.719 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.664 -1.299 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.930 -1.687 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.977 -1.918 2.518 1.00 0.00 H new ATOM 208 N ASP A 13 -3.576 1.900 4.674 1.00 0.00 N ATOM 209 CA ASP A 13 -3.423 3.231 5.244 1.00 0.00 C ATOM 210 C ASP A 13 -2.223 3.296 6.183 1.00 0.00 C ATOM 211 O ASP A 13 -1.991 4.314 6.836 1.00 0.00 O ATOM 212 CB ASP A 13 -4.695 3.646 5.986 1.00 0.00 C ATOM 213 CG ASP A 13 -5.678 4.370 5.087 1.00 0.00 C ATOM 214 OD1 ASP A 13 -5.255 5.302 4.374 1.00 0.00 O ATOM 215 OD2 ASP A 13 -6.873 4.005 5.098 1.00 0.00 O ATOM 0 H ASP A 13 -4.121 1.253 5.244 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.250 3.926 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.174 2.761 6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.430 4.291 6.824 1.00 0.00 H new ATOM 220 N LYS A 14 -1.446 2.219 6.229 1.00 0.00 N ATOM 221 CA LYS A 14 -0.258 2.173 7.062 1.00 0.00 C ATOM 222 C LYS A 14 0.960 2.063 6.171 1.00 0.00 C ATOM 223 O LYS A 14 2.023 2.603 6.477 1.00 0.00 O ATOM 224 CB LYS A 14 -0.320 0.994 8.036 1.00 0.00 C ATOM 225 CG LYS A 14 0.870 0.922 8.978 1.00 0.00 C ATOM 226 CD LYS A 14 1.934 -0.032 8.461 1.00 0.00 C ATOM 227 CE LYS A 14 3.221 0.081 9.262 1.00 0.00 C ATOM 228 NZ LYS A 14 4.400 -0.404 8.492 1.00 0.00 N ATOM 0 H LYS A 14 -1.621 1.367 5.697 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.197 3.086 7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.235 1.067 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.380 0.066 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.300 1.916 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.536 0.597 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.562 -1.055 8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.137 0.182 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.379 1.120 9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.127 -0.495 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.903 -1.126 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.081 -0.817 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.040 0.393 8.299 1.00 0.00 H new ATOM 242 N ILE A 15 0.785 1.384 5.045 1.00 0.00 N ATOM 243 CA ILE A 15 1.861 1.236 4.092 1.00 0.00 C ATOM 244 C ILE A 15 1.987 2.502 3.261 1.00 0.00 C ATOM 245 O ILE A 15 3.077 2.883 2.842 1.00 0.00 O ATOM 246 CB ILE A 15 1.668 0.021 3.170 1.00 0.00 C ATOM 247 CG1 ILE A 15 0.239 -0.030 2.619 1.00 0.00 C ATOM 248 CG2 ILE A 15 2.022 -1.257 3.922 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.317 -1.430 2.540 1.00 0.00 C ATOM 0 H ILE A 15 -0.089 0.932 4.776 1.00 0.00 H new ATOM 0 HA ILE A 15 2.777 1.067 4.659 1.00 0.00 H new ATOM 0 HB ILE A 15 2.338 0.116 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.409 0.576 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.223 0.417 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.884 -2.116 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.062 -1.212 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.374 -1.358 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.331 -1.397 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.310 -2.034 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.332 -1.872 3.536 1.00 0.00 H new ATOM 261 N ARG A 16 0.872 3.191 3.069 1.00 0.00 N ATOM 262 CA ARG A 16 0.903 4.443 2.342 1.00 0.00 C ATOM 263 C ARG A 16 1.313 5.554 3.300 1.00 0.00 C ATOM 264 O ARG A 16 1.296 6.733 2.948 1.00 0.00 O ATOM 265 CB ARG A 16 -0.459 4.747 1.716 1.00 0.00 C ATOM 266 CG ARG A 16 -0.413 5.837 0.658 1.00 0.00 C ATOM 267 CD ARG A 16 -1.465 5.616 -0.418 1.00 0.00 C ATOM 268 NE ARG A 16 -2.535 6.610 -0.350 1.00 0.00 N ATOM 269 CZ ARG A 16 -3.546 6.553 0.514 1.00 0.00 C ATOM 270 NH1 ARG A 16 -3.630 5.552 1.384 1.00 0.00 N ATOM 271 NH2 ARG A 16 -4.476 7.497 0.509 1.00 0.00 N ATOM 0 H ARG A 16 -0.050 2.907 3.402 1.00 0.00 H new ATOM 0 HA ARG A 16 1.626 4.371 1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.856 3.835 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.153 5.045 2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.570 6.808 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.576 5.860 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.994 5.657 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.890 4.618 -0.310 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.505 7.393 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.917 4.822 1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.407 5.514 2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.417 8.267 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.251 7.453 1.171 1.00 0.00 H new ATOM 285 N GLU A 17 1.673 5.157 4.527 1.00 0.00 N ATOM 286 CA GLU A 17 2.082 6.093 5.554 1.00 0.00 C ATOM 287 C GLU A 17 3.588 6.029 5.804 1.00 0.00 C ATOM 288 O GLU A 17 4.136 6.850 6.540 1.00 0.00 O ATOM 289 CB GLU A 17 1.300 5.797 6.838 1.00 0.00 C ATOM 290 CG GLU A 17 2.167 5.584 8.071 1.00 0.00 C ATOM 291 CD GLU A 17 1.351 5.300 9.316 1.00 0.00 C ATOM 292 OE1 GLU A 17 0.239 4.746 9.184 1.00 0.00 O ATOM 293 OE2 GLU A 17 1.822 5.633 10.425 1.00 0.00 O ATOM 0 H GLU A 17 1.685 4.181 4.824 1.00 0.00 H new ATOM 0 HA GLU A 17 1.860 7.106 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.615 6.623 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.690 4.907 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.850 4.753 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.780 6.470 8.237 1.00 0.00 H new ATOM 300 N TYR A 18 4.255 5.079 5.172 1.00 0.00 N ATOM 301 CA TYR A 18 5.694 4.948 5.312 1.00 0.00 C ATOM 302 C TYR A 18 6.370 5.459 4.045 1.00 0.00 C ATOM 303 O TYR A 18 7.394 6.140 4.104 1.00 0.00 O ATOM 304 CB TYR A 18 6.068 3.484 5.576 1.00 0.00 C ATOM 305 CG TYR A 18 5.878 2.623 4.364 1.00 0.00 C ATOM 306 CD1 TYR A 18 6.654 2.801 3.233 1.00 0.00 C ATOM 307 CD2 TYR A 18 4.877 1.679 4.328 1.00 0.00 C ATOM 308 CE1 TYR A 18 6.437 2.062 2.102 1.00 0.00 C ATOM 309 CE2 TYR A 18 4.658 0.928 3.209 1.00 0.00 C ATOM 310 CZ TYR A 18 5.435 1.120 2.088 1.00 0.00 C ATOM 311 OH TYR A 18 5.209 0.371 0.956 1.00 0.00 O ATOM 0 H TYR A 18 3.824 4.388 4.558 1.00 0.00 H new ATOM 0 HA TYR A 18 6.035 5.542 6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.108 3.429 5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.459 3.097 6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.445 3.536 3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.255 1.530 5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.049 2.217 1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.876 0.184 3.203 1.00 0.00 H new ATOM 0 HH TYR A 18 4.754 -0.462 1.200 1.00 0.00 H new ATOM 321 N ARG A 19 5.778 5.129 2.893 1.00 0.00 N ATOM 322 CA ARG A 19 6.315 5.562 1.611 1.00 0.00 C ATOM 323 C ARG A 19 6.195 7.067 1.515 1.00 0.00 C ATOM 324 O ARG A 19 7.049 7.745 0.949 1.00 0.00 O ATOM 325 CB ARG A 19 5.568 4.889 0.456 1.00 0.00 C ATOM 326 CG ARG A 19 6.469 4.064 -0.450 1.00 0.00 C ATOM 327 CD ARG A 19 5.803 2.763 -0.875 1.00 0.00 C ATOM 328 NE ARG A 19 5.492 2.749 -2.302 1.00 0.00 N ATOM 329 CZ ARG A 19 6.413 2.794 -3.262 1.00 0.00 C ATOM 330 NH1 ARG A 19 7.703 2.847 -2.953 1.00 0.00 N ATOM 331 NH2 ARG A 19 6.044 2.783 -4.535 1.00 0.00 N ATOM 0 H ARG A 19 4.930 4.565 2.828 1.00 0.00 H new ATOM 0 HA ARG A 19 7.364 5.273 1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.789 4.245 0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.070 5.654 -0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.727 4.646 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.402 3.843 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.459 1.925 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.886 2.621 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 19 4.512 2.702 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.993 2.853 -1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.404 2.881 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.054 2.740 -4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.750 2.817 -5.271 1.00 0.00 H new ATOM 345 N THR A 20 5.132 7.579 2.116 1.00 0.00 N ATOM 346 CA THR A 20 4.877 9.008 2.159 1.00 0.00 C ATOM 347 C THR A 20 6.127 9.758 2.605 1.00 0.00 C ATOM 348 O THR A 20 6.426 10.845 2.111 1.00 0.00 O ATOM 349 CB THR A 20 3.739 9.253 3.142 1.00 0.00 C ATOM 350 OG1 THR A 20 3.899 10.486 3.825 1.00 0.00 O ATOM 351 CG2 THR A 20 3.656 8.152 4.172 1.00 0.00 C ATOM 0 H THR A 20 4.424 7.016 2.586 1.00 0.00 H new ATOM 0 HA THR A 20 4.605 9.370 1.167 1.00 0.00 H new ATOM 0 HB THR A 20 2.823 9.277 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.153 10.615 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.834 8.357 4.858 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.483 7.199 3.673 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.591 8.105 4.730 1.00 0.00 H new ATOM 359 N LYS A 21 6.851 9.162 3.548 1.00 0.00 N ATOM 360 CA LYS A 21 8.068 9.766 4.070 1.00 0.00 C ATOM 361 C LYS A 21 9.145 9.875 2.992 1.00 0.00 C ATOM 362 O LYS A 21 10.084 10.661 3.122 1.00 0.00 O ATOM 363 CB LYS A 21 8.592 8.947 5.252 1.00 0.00 C ATOM 364 CG LYS A 21 8.743 9.754 6.532 1.00 0.00 C ATOM 365 CD LYS A 21 7.575 9.524 7.478 1.00 0.00 C ATOM 366 CE LYS A 21 6.256 9.941 6.847 1.00 0.00 C ATOM 367 NZ LYS A 21 6.071 11.419 6.871 1.00 0.00 N ATOM 0 H LYS A 21 6.614 8.262 3.965 1.00 0.00 H new ATOM 0 HA LYS A 21 7.826 10.774 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.913 8.114 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.558 8.518 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.674 9.480 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.812 10.814 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.531 8.470 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.734 10.087 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.219 9.587 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.433 9.463 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.160 11.662 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.081 11.754 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.843 11.874 6.343 1.00 0.00 H new ATOM 381 N ARG A 22 9.011 9.083 1.931 1.00 0.00 N ATOM 382 CA ARG A 22 9.982 9.101 0.844 1.00 0.00 C ATOM 383 C ARG A 22 9.380 9.713 -0.422 1.00 0.00 C ATOM 384 O ARG A 22 9.994 10.573 -1.054 1.00 0.00 O ATOM 385 CB ARG A 22 10.501 7.679 0.575 1.00 0.00 C ATOM 386 CG ARG A 22 9.725 6.911 -0.487 1.00 0.00 C ATOM 387 CD ARG A 22 10.270 5.502 -0.663 1.00 0.00 C ATOM 388 NE ARG A 22 10.208 5.061 -2.054 1.00 0.00 N ATOM 389 CZ ARG A 22 10.858 3.998 -2.524 1.00 0.00 C ATOM 390 NH1 ARG A 22 11.619 3.267 -1.718 1.00 0.00 N ATOM 391 NH2 ARG A 22 10.747 3.665 -3.802 1.00 0.00 N ATOM 0 H ARG A 22 8.243 8.424 1.802 1.00 0.00 H new ATOM 0 HA ARG A 22 10.823 9.727 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.546 7.739 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.473 7.114 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.673 6.863 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.779 7.445 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.303 5.467 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.702 4.813 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 22 9.633 5.598 -2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.708 3.519 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.115 2.454 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.164 4.223 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.245 2.851 -4.162 1.00 0.00 H new ATOM 405 N GLN A 23 8.175 9.268 -0.778 1.00 0.00 N ATOM 406 CA GLN A 23 7.474 9.765 -1.964 1.00 0.00 C ATOM 407 C GLN A 23 8.437 10.029 -3.121 1.00 0.00 C ATOM 408 O GLN A 23 8.511 11.143 -3.643 1.00 0.00 O ATOM 409 CB GLN A 23 6.693 11.036 -1.620 1.00 0.00 C ATOM 410 CG GLN A 23 5.271 11.039 -2.161 1.00 0.00 C ATOM 411 CD GLN A 23 4.281 10.402 -1.207 1.00 0.00 C ATOM 412 OE1 GLN A 23 4.386 9.089 -1.030 1.00 0.00 O flip ATOM 413 NE2 GLN A 23 3.430 11.082 -0.632 1.00 0.00 N flip ATOM 0 H GLN A 23 7.660 8.558 -0.257 1.00 0.00 H new ATOM 0 HA GLN A 23 6.777 8.992 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.661 11.152 -0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.226 11.900 -2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.966 12.066 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.247 10.507 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.384 12.088 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.771 10.639 0.009 1.00 0.00 H new ATOM 422 N THR A 24 9.171 8.996 -3.516 1.00 0.00 N ATOM 423 CA THR A 24 10.130 9.112 -4.609 1.00 0.00 C ATOM 424 C THR A 24 10.657 7.742 -5.020 1.00 0.00 C ATOM 425 O THR A 24 11.643 7.254 -4.467 1.00 0.00 O ATOM 426 CB THR A 24 11.293 10.018 -4.202 1.00 0.00 C ATOM 427 OG1 THR A 24 12.233 10.131 -5.255 1.00 0.00 O ATOM 428 CG2 THR A 24 12.033 9.527 -2.977 1.00 0.00 C ATOM 0 H THR A 24 9.121 8.068 -3.096 1.00 0.00 H new ATOM 0 HA THR A 24 9.616 9.554 -5.463 1.00 0.00 H new ATOM 0 HB THR A 24 10.841 10.983 -3.971 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.770 10.062 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.845 10.215 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.346 9.476 -2.133 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.442 8.536 -3.172 1.00 0.00 H new ATOM 436 N SER A 25 9.993 7.125 -5.992 1.00 0.00 N ATOM 437 CA SER A 25 10.396 5.809 -6.477 1.00 0.00 C ATOM 438 C SER A 25 11.102 5.918 -7.824 1.00 0.00 C ATOM 439 O SER A 25 11.385 7.017 -8.302 1.00 0.00 O ATOM 440 CB SER A 25 9.177 4.893 -6.600 1.00 0.00 C ATOM 441 OG SER A 25 9.515 3.550 -6.302 1.00 0.00 O ATOM 0 H SER A 25 9.174 7.514 -6.459 1.00 0.00 H new ATOM 0 HA SER A 25 11.093 5.381 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.393 5.233 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.773 4.954 -7.611 1.00 0.00 H new ATOM 0 HG SER A 25 8.718 2.986 -6.386 1.00 0.00 H new ATOM 447 N GLY A 26 11.387 4.770 -8.431 1.00 0.00 N ATOM 448 CA GLY A 26 12.058 4.757 -9.719 1.00 0.00 C ATOM 449 C GLY A 26 11.158 4.271 -10.837 1.00 0.00 C ATOM 450 O GLY A 26 11.632 3.713 -11.827 1.00 0.00 O ATOM 0 H GLY A 26 11.165 3.848 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.411 5.762 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.938 4.116 -9.660 1.00 0.00 H new ATOM 454 N GLY A 27 9.855 4.483 -10.679 1.00 0.00 N ATOM 455 CA GLY A 27 8.906 4.056 -11.690 1.00 0.00 C ATOM 456 C GLY A 27 7.767 5.045 -11.869 1.00 0.00 C ATOM 457 O GLY A 27 7.997 6.253 -11.904 1.00 0.00 O ATOM 0 H GLY A 27 9.440 4.943 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.425 3.927 -12.640 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.499 3.083 -11.415 1.00 0.00 H new ATOM 461 N PRO A 28 6.516 4.562 -11.983 1.00 0.00 N ATOM 462 CA PRO A 28 5.350 5.435 -12.157 1.00 0.00 C ATOM 463 C PRO A 28 5.087 6.298 -10.929 1.00 0.00 C ATOM 464 O PRO A 28 4.515 7.383 -11.032 1.00 0.00 O ATOM 465 CB PRO A 28 4.194 4.454 -12.380 1.00 0.00 C ATOM 466 CG PRO A 28 4.650 3.179 -11.759 1.00 0.00 C ATOM 467 CD PRO A 28 6.139 3.137 -11.951 1.00 0.00 C ATOM 0 HA PRO A 28 5.489 6.139 -12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.275 4.813 -11.916 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.985 4.324 -13.442 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.392 3.146 -10.701 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.171 2.321 -12.231 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.635 2.608 -11.137 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.411 2.628 -12.875 1.00 0.00 H new ATOM 475 N VAL A 29 5.509 5.812 -9.766 1.00 0.00 N ATOM 476 CA VAL A 29 5.321 6.543 -8.519 1.00 0.00 C ATOM 477 C VAL A 29 5.992 7.911 -8.579 1.00 0.00 C ATOM 478 O VAL A 29 5.536 8.865 -7.949 1.00 0.00 O ATOM 479 CB VAL A 29 5.881 5.760 -7.317 1.00 0.00 C ATOM 480 CG1 VAL A 29 5.542 6.467 -6.011 1.00 0.00 C ATOM 481 CG2 VAL A 29 5.348 4.334 -7.315 1.00 0.00 C ATOM 0 H VAL A 29 5.983 4.915 -9.662 1.00 0.00 H new ATOM 0 HA VAL A 29 4.247 6.673 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 29 6.966 5.718 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.946 5.898 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.977 7.466 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.459 6.543 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.754 3.795 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.260 4.352 -7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.648 3.832 -8.235 1.00 0.00 H new ATOM 491 N ASP A 30 7.074 7.999 -9.344 1.00 0.00 N ATOM 492 CA ASP A 30 7.806 9.251 -9.491 1.00 0.00 C ATOM 493 C ASP A 30 7.404 9.963 -10.779 1.00 0.00 C ATOM 494 O ASP A 30 8.209 10.670 -11.386 1.00 0.00 O ATOM 495 CB ASP A 30 9.313 8.991 -9.486 1.00 0.00 C ATOM 496 CG ASP A 30 10.097 10.142 -8.886 1.00 0.00 C ATOM 497 OD1 ASP A 30 9.878 11.295 -9.313 1.00 0.00 O ATOM 498 OD2 ASP A 30 10.930 9.889 -7.991 1.00 0.00 O ATOM 0 H ASP A 30 7.464 7.218 -9.872 1.00 0.00 H new ATOM 0 HA ASP A 30 7.555 9.893 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.520 8.081 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.652 8.817 -10.507 1.00 0.00 H new ATOM 503 N ALA A 31 6.155 9.769 -11.190 1.00 0.00 N ATOM 504 CA ALA A 31 5.646 10.391 -12.406 1.00 0.00 C ATOM 505 C ALA A 31 4.863 11.659 -12.089 1.00 0.00 C ATOM 506 O ALA A 31 3.878 11.976 -12.754 1.00 0.00 O ATOM 507 CB ALA A 31 4.776 9.408 -13.175 1.00 0.00 C ATOM 0 H ALA A 31 5.477 9.186 -10.699 1.00 0.00 H new ATOM 0 HA ALA A 31 6.498 10.669 -13.027 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.402 9.885 -14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.367 8.532 -13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.935 9.102 -12.552 1.00 0.00 H new ATOM 513 N GLY A 32 5.310 12.382 -11.066 1.00 0.00 N ATOM 514 CA GLY A 32 4.639 13.608 -10.676 1.00 0.00 C ATOM 515 C GLY A 32 3.369 13.344 -9.892 1.00 0.00 C ATOM 516 O GLY A 32 2.859 12.225 -9.899 1.00 0.00 O ATOM 0 H GLY A 32 6.124 12.140 -10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.316 14.214 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.399 14.188 -11.567 1.00 0.00 H new ATOM 520 N PRO A 33 2.830 14.360 -9.200 1.00 0.00 N ATOM 521 CA PRO A 33 1.604 14.212 -8.411 1.00 0.00 C ATOM 522 C PRO A 33 0.400 13.850 -9.274 1.00 0.00 C ATOM 523 O PRO A 33 -0.356 14.723 -9.698 1.00 0.00 O ATOM 524 CB PRO A 33 1.410 15.593 -7.774 1.00 0.00 C ATOM 525 CG PRO A 33 2.201 16.526 -8.625 1.00 0.00 C ATOM 526 CD PRO A 33 3.367 15.729 -9.135 1.00 0.00 C ATOM 0 HA PRO A 33 1.688 13.405 -7.683 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.357 15.874 -7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.763 15.605 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.599 16.909 -9.449 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.539 17.388 -8.050 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.698 16.079 -10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.224 15.795 -8.465 1.00 0.00 H new ATOM 534 N GLU A 34 0.225 12.554 -9.525 1.00 0.00 N ATOM 535 CA GLU A 34 -0.890 12.067 -10.332 1.00 0.00 C ATOM 536 C GLU A 34 -0.703 10.596 -10.691 1.00 0.00 C ATOM 537 O GLU A 34 -0.293 10.261 -11.802 1.00 0.00 O ATOM 538 CB GLU A 34 -1.051 12.903 -11.606 1.00 0.00 C ATOM 539 CG GLU A 34 -2.206 13.890 -11.543 1.00 0.00 C ATOM 540 CD GLU A 34 -1.862 15.229 -12.165 1.00 0.00 C ATOM 541 OE1 GLU A 34 -1.470 15.250 -13.351 1.00 0.00 O ATOM 542 OE2 GLU A 34 -1.985 16.257 -11.466 1.00 0.00 O ATOM 0 H GLU A 34 0.844 11.821 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.797 12.166 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.126 13.450 -11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.201 12.234 -12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.070 13.466 -12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.495 14.040 -10.503 1.00 0.00 H new ATOM 549 N TYR A 35 -0.993 9.730 -9.729 1.00 0.00 N ATOM 550 CA TYR A 35 -0.847 8.284 -9.908 1.00 0.00 C ATOM 551 C TYR A 35 -1.186 7.544 -8.613 1.00 0.00 C ATOM 552 O TYR A 35 -0.708 6.438 -8.388 1.00 0.00 O ATOM 553 CB TYR A 35 0.595 7.975 -10.268 1.00 0.00 C ATOM 554 CG TYR A 35 1.486 8.399 -9.148 1.00 0.00 C ATOM 555 CD1 TYR A 35 1.937 9.700 -9.067 1.00 0.00 C ATOM 556 CD2 TYR A 35 1.800 7.522 -8.130 1.00 0.00 C ATOM 557 CE1 TYR A 35 2.688 10.122 -8.000 1.00 0.00 C ATOM 558 CE2 TYR A 35 2.558 7.924 -7.061 1.00 0.00 C ATOM 559 CZ TYR A 35 3.002 9.231 -6.992 1.00 0.00 C ATOM 560 OH TYR A 35 3.755 9.646 -5.918 1.00 0.00 O ATOM 0 H TYR A 35 -1.334 10.003 -8.807 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.525 7.960 -10.697 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.714 6.908 -10.458 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.872 8.495 -11.185 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.695 10.397 -9.856 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.443 6.504 -8.176 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.032 11.144 -7.948 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.807 7.224 -6.277 1.00 0.00 H new ATOM 0 HH TYR A 35 4.707 9.578 -6.140 1.00 0.00 H new ATOM 570 N GLN A 36 -1.990 8.164 -7.753 1.00 0.00 N ATOM 571 CA GLN A 36 -2.369 7.561 -6.473 1.00 0.00 C ATOM 572 C GLN A 36 -2.788 6.100 -6.639 1.00 0.00 C ATOM 573 O GLN A 36 -2.798 5.335 -5.675 1.00 0.00 O ATOM 574 CB GLN A 36 -3.508 8.357 -5.832 1.00 0.00 C ATOM 575 CG GLN A 36 -3.044 9.618 -5.122 1.00 0.00 C ATOM 576 CD GLN A 36 -2.274 9.321 -3.850 1.00 0.00 C ATOM 577 OE1 GLN A 36 -2.859 9.165 -2.778 1.00 0.00 O ATOM 578 NE2 GLN A 36 -0.954 9.242 -3.962 1.00 0.00 N ATOM 0 H GLN A 36 -2.394 9.086 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.494 7.588 -5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.229 8.628 -6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.029 7.719 -5.118 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.415 10.199 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.910 10.235 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.510 9.378 -4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.383 9.045 -3.140 1.00 0.00 H new ATOM 587 N GLN A 37 -3.129 5.724 -7.864 1.00 0.00 N ATOM 588 CA GLN A 37 -3.545 4.357 -8.159 1.00 0.00 C ATOM 589 C GLN A 37 -2.336 3.452 -8.389 1.00 0.00 C ATOM 590 O GLN A 37 -2.439 2.229 -8.296 1.00 0.00 O ATOM 591 CB GLN A 37 -4.454 4.333 -9.389 1.00 0.00 C ATOM 592 CG GLN A 37 -5.901 4.679 -9.082 1.00 0.00 C ATOM 593 CD GLN A 37 -6.733 3.459 -8.740 1.00 0.00 C ATOM 594 OE1 GLN A 37 -6.538 2.832 -7.698 1.00 0.00 O ATOM 595 NE2 GLN A 37 -7.667 3.114 -9.618 1.00 0.00 N ATOM 0 H GLN A 37 -3.126 6.347 -8.672 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.097 3.981 -7.298 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.070 5.036 -10.128 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.414 3.342 -9.841 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.934 5.381 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.340 5.184 -9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.794 3.662 -10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.257 2.301 -9.442 1.00 0.00 H new ATOM 604 N ASP A 38 -1.190 4.059 -8.687 1.00 0.00 N ATOM 605 CA ASP A 38 0.035 3.308 -8.928 1.00 0.00 C ATOM 606 C ASP A 38 0.714 2.940 -7.611 1.00 0.00 C ATOM 607 O ASP A 38 1.459 1.963 -7.537 1.00 0.00 O ATOM 608 CB ASP A 38 0.988 4.124 -9.803 1.00 0.00 C ATOM 609 CG ASP A 38 1.573 3.306 -10.939 1.00 0.00 C ATOM 610 OD1 ASP A 38 2.249 2.294 -10.655 1.00 0.00 O ATOM 611 OD2 ASP A 38 1.354 3.676 -12.111 1.00 0.00 O ATOM 0 H ASP A 38 -1.086 5.071 -8.767 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.224 2.386 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.456 4.982 -10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.797 4.516 -9.187 1.00 0.00 H new ATOM 616 N LEU A 39 0.451 3.727 -6.572 1.00 0.00 N ATOM 617 CA LEU A 39 1.034 3.477 -5.259 1.00 0.00 C ATOM 618 C LEU A 39 0.260 2.384 -4.530 1.00 0.00 C ATOM 619 O LEU A 39 0.826 1.630 -3.741 1.00 0.00 O ATOM 620 CB LEU A 39 1.033 4.763 -4.425 1.00 0.00 C ATOM 621 CG LEU A 39 2.397 5.433 -4.262 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.229 6.898 -3.891 1.00 0.00 C ATOM 623 CD2 LEU A 39 3.223 4.708 -3.211 1.00 0.00 C ATOM 0 H LEU A 39 -0.161 4.542 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 39 2.063 3.144 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.349 5.475 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.637 4.535 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 39 2.925 5.377 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.210 7.360 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.674 7.411 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.682 6.975 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.191 5.198 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.699 4.734 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.371 3.672 -3.516 1.00 0.00 H new ATOM 635 N ASP A 40 -1.037 2.309 -4.802 1.00 0.00 N ATOM 636 CA ASP A 40 -1.893 1.311 -4.174 1.00 0.00 C ATOM 637 C ASP A 40 -1.610 -0.082 -4.727 1.00 0.00 C ATOM 638 O ASP A 40 -1.758 -1.079 -4.021 1.00 0.00 O ATOM 639 CB ASP A 40 -3.366 1.666 -4.386 1.00 0.00 C ATOM 640 CG ASP A 40 -4.289 0.867 -3.488 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.809 0.339 -2.462 1.00 0.00 O ATOM 642 OD2 ASP A 40 -5.491 0.768 -3.810 1.00 0.00 O ATOM 0 H ASP A 40 -1.519 2.928 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.676 1.307 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.511 2.730 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.633 1.488 -5.428 1.00 0.00 H new ATOM 647 N ARG A 41 -1.204 -0.145 -5.992 1.00 0.00 N ATOM 648 CA ARG A 41 -0.906 -1.422 -6.630 1.00 0.00 C ATOM 649 C ARG A 41 0.355 -2.048 -6.044 1.00 0.00 C ATOM 650 O ARG A 41 0.471 -3.270 -5.964 1.00 0.00 O ATOM 651 CB ARG A 41 -0.753 -1.244 -8.143 1.00 0.00 C ATOM 652 CG ARG A 41 0.419 -0.364 -8.542 1.00 0.00 C ATOM 653 CD ARG A 41 1.037 -0.820 -9.854 1.00 0.00 C ATOM 654 NE ARG A 41 2.372 -0.262 -10.054 1.00 0.00 N ATOM 655 CZ ARG A 41 3.447 -0.648 -9.370 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.349 -1.594 -8.444 1.00 0.00 N ATOM 657 NH2 ARG A 41 4.624 -0.088 -9.616 1.00 0.00 N ATOM 0 H ARG A 41 -1.075 0.669 -6.592 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.742 -2.095 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.633 -2.224 -8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.671 -0.814 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.084 0.669 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.174 -0.384 -7.756 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.093 -1.908 -9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.392 -0.523 -10.681 1.00 0.00 H new ATOM 0 HE ARG A 41 2.487 0.466 -10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.447 -2.029 -8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.176 -1.886 -7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.705 0.637 -10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.448 -0.383 -9.093 1.00 0.00 H new ATOM 671 N GLU A 42 1.297 -1.206 -5.628 1.00 0.00 N ATOM 672 CA GLU A 42 2.541 -1.693 -5.044 1.00 0.00 C ATOM 673 C GLU A 42 2.288 -2.254 -3.651 1.00 0.00 C ATOM 674 O GLU A 42 2.732 -3.354 -3.323 1.00 0.00 O ATOM 675 CB GLU A 42 3.580 -0.569 -4.976 1.00 0.00 C ATOM 676 CG GLU A 42 4.812 -0.923 -4.155 1.00 0.00 C ATOM 677 CD GLU A 42 6.010 -0.062 -4.500 1.00 0.00 C ATOM 678 OE1 GLU A 42 6.075 0.436 -5.643 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.886 0.115 -3.627 1.00 0.00 O ATOM 0 H GLU A 42 1.223 -0.190 -5.684 1.00 0.00 H new ATOM 0 HA GLU A 42 2.929 -2.489 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.891 -0.312 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.114 0.320 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.582 -0.811 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.064 -1.971 -4.318 1.00 0.00 H new ATOM 686 N LEU A 43 1.562 -1.496 -2.841 1.00 0.00 N ATOM 687 CA LEU A 43 1.241 -1.923 -1.489 1.00 0.00 C ATOM 688 C LEU A 43 0.259 -3.083 -1.532 1.00 0.00 C ATOM 689 O LEU A 43 0.354 -4.024 -0.746 1.00 0.00 O ATOM 690 CB LEU A 43 0.660 -0.760 -0.681 1.00 0.00 C ATOM 691 CG LEU A 43 1.386 0.579 -0.852 1.00 0.00 C ATOM 692 CD1 LEU A 43 0.481 1.735 -0.447 1.00 0.00 C ATOM 693 CD2 LEU A 43 2.676 0.595 -0.041 1.00 0.00 C ATOM 0 H LEU A 43 1.185 -0.584 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 43 2.157 -2.254 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.384 -0.628 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.673 -1.030 0.375 1.00 0.00 H new ATOM 0 HG LEU A 43 1.642 0.699 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.014 2.677 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.411 1.735 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.191 1.622 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.178 1.553 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.444 0.451 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.330 -0.208 -0.382 1.00 0.00 H new ATOM 705 N PHE A 44 -0.673 -3.023 -2.476 1.00 0.00 N ATOM 706 CA PHE A 44 -1.655 -4.083 -2.639 1.00 0.00 C ATOM 707 C PHE A 44 -0.960 -5.375 -3.059 1.00 0.00 C ATOM 708 O PHE A 44 -1.487 -6.470 -2.861 1.00 0.00 O ATOM 709 CB PHE A 44 -2.706 -3.673 -3.679 1.00 0.00 C ATOM 710 CG PHE A 44 -3.513 -4.819 -4.222 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.515 -5.402 -3.463 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.267 -5.311 -5.492 1.00 0.00 C ATOM 713 CE1 PHE A 44 -5.258 -6.455 -3.963 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.005 -6.363 -5.998 1.00 0.00 C ATOM 715 CZ PHE A 44 -5.002 -6.936 -5.233 1.00 0.00 C ATOM 0 H PHE A 44 -0.768 -2.253 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.159 -4.252 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.383 -2.947 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.205 -3.171 -4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.718 -5.030 -2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.489 -4.867 -6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.037 -6.901 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.803 -6.737 -6.991 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.581 -7.759 -5.627 1.00 0.00 H new ATOM 725 N LYS A 45 0.234 -5.238 -3.635 1.00 0.00 N ATOM 726 CA LYS A 45 1.005 -6.389 -4.078 1.00 0.00 C ATOM 727 C LYS A 45 1.455 -7.234 -2.888 1.00 0.00 C ATOM 728 O LYS A 45 1.690 -8.434 -3.026 1.00 0.00 O ATOM 729 CB LYS A 45 2.220 -5.934 -4.889 1.00 0.00 C ATOM 730 CG LYS A 45 2.389 -6.685 -6.200 1.00 0.00 C ATOM 731 CD LYS A 45 3.242 -5.900 -7.184 1.00 0.00 C ATOM 732 CE LYS A 45 4.669 -5.745 -6.683 1.00 0.00 C ATOM 733 NZ LYS A 45 5.561 -6.819 -7.201 1.00 0.00 N ATOM 0 H LYS A 45 0.685 -4.339 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 45 0.365 -7.002 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.129 -4.868 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.119 -6.064 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.850 -7.654 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.410 -6.879 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.247 -6.407 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.802 -4.916 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.057 -4.773 -6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.675 -5.763 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.524 -6.676 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.206 -7.745 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.576 -6.786 -8.240 1.00 0.00 H new ATOM 747 N LEU A 46 1.575 -6.606 -1.719 1.00 0.00 N ATOM 748 CA LEU A 46 1.996 -7.318 -0.525 1.00 0.00 C ATOM 749 C LEU A 46 0.973 -8.382 -0.150 1.00 0.00 C ATOM 750 O LEU A 46 1.325 -9.533 0.101 1.00 0.00 O ATOM 751 CB LEU A 46 2.219 -6.343 0.640 1.00 0.00 C ATOM 752 CG LEU A 46 0.955 -5.808 1.319 1.00 0.00 C ATOM 753 CD1 LEU A 46 0.536 -6.711 2.469 1.00 0.00 C ATOM 754 CD2 LEU A 46 1.188 -4.392 1.818 1.00 0.00 C ATOM 0 H LEU A 46 1.387 -5.613 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 46 2.944 -7.813 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.829 -6.842 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.797 -5.495 0.272 1.00 0.00 H new ATOM 0 HG LEU A 46 0.150 -5.795 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.364 -6.311 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.334 -7.713 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.338 -6.757 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.282 -4.022 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.007 -4.390 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.441 -3.747 0.977 1.00 0.00 H new ATOM 766 N LYS A 47 -0.301 -8.000 -0.129 1.00 0.00 N ATOM 767 CA LYS A 47 -1.363 -8.940 0.207 1.00 0.00 C ATOM 768 C LYS A 47 -1.246 -10.202 -0.640 1.00 0.00 C ATOM 769 O LYS A 47 -1.644 -11.288 -0.218 1.00 0.00 O ATOM 770 CB LYS A 47 -2.735 -8.293 0.006 1.00 0.00 C ATOM 771 CG LYS A 47 -3.249 -7.564 1.237 1.00 0.00 C ATOM 772 CD LYS A 47 -3.665 -6.138 0.911 1.00 0.00 C ATOM 773 CE LYS A 47 -2.515 -5.164 1.110 1.00 0.00 C ATOM 774 NZ LYS A 47 -2.981 -3.856 1.647 1.00 0.00 N ATOM 0 H LYS A 47 -0.620 -7.054 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.259 -9.214 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.678 -7.590 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.453 -9.063 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.099 -8.105 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.474 -7.551 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.013 -6.086 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.503 -5.848 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.786 -5.598 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.005 -5.005 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.618 -3.086 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.021 -3.832 1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.630 -3.735 2.618 1.00 0.00 H new ATOM 788 N GLN A 48 -0.681 -10.050 -1.835 1.00 0.00 N ATOM 789 CA GLN A 48 -0.493 -11.175 -2.741 1.00 0.00 C ATOM 790 C GLN A 48 0.790 -11.923 -2.392 1.00 0.00 C ATOM 791 O GLN A 48 0.882 -13.137 -2.574 1.00 0.00 O ATOM 792 CB GLN A 48 -0.441 -10.689 -4.191 1.00 0.00 C ATOM 793 CG GLN A 48 -1.796 -10.675 -4.878 1.00 0.00 C ATOM 794 CD GLN A 48 -2.847 -9.923 -4.085 1.00 0.00 C ATOM 795 OE1 GLN A 48 -2.468 -8.769 -3.548 1.00 0.00 O flip ATOM 796 NE2 GLN A 48 -3.985 -10.374 -3.957 1.00 0.00 N flip ATOM 0 H GLN A 48 -0.346 -9.157 -2.197 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.338 -11.854 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.022 -9.683 -4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.237 -11.329 -4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.695 -10.219 -5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.130 -11.701 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.232 -11.265 -4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.681 -9.857 -3.421 1.00 0.00 H new ATOM 805 N MET A 49 1.775 -11.187 -1.883 1.00 0.00 N ATOM 806 CA MET A 49 3.050 -11.779 -1.499 1.00 0.00 C ATOM 807 C MET A 49 2.913 -12.527 -0.177 1.00 0.00 C ATOM 808 O MET A 49 3.612 -13.510 0.069 1.00 0.00 O ATOM 809 CB MET A 49 4.140 -10.694 -1.406 1.00 0.00 C ATOM 810 CG MET A 49 4.358 -10.121 -0.010 1.00 0.00 C ATOM 811 SD MET A 49 5.828 -9.079 0.090 1.00 0.00 S ATOM 812 CE MET A 49 5.387 -7.755 -1.033 1.00 0.00 C ATOM 0 H MET A 49 1.713 -10.181 -1.728 1.00 0.00 H new ATOM 0 HA MET A 49 3.347 -12.495 -2.265 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.081 -11.114 -1.762 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.879 -9.879 -2.081 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.484 -9.538 0.280 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.448 -10.939 0.705 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.293 -7.269 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.831 -8.164 -1.877 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.769 -7.025 -0.510 1.00 0.00 H new ATOM 822 N TYR A 50 2.005 -12.053 0.670 1.00 0.00 N ATOM 823 CA TYR A 50 1.772 -12.671 1.966 1.00 0.00 C ATOM 824 C TYR A 50 0.838 -13.869 1.835 1.00 0.00 C ATOM 825 O TYR A 50 0.941 -14.835 2.590 1.00 0.00 O ATOM 826 CB TYR A 50 1.185 -11.647 2.938 1.00 0.00 C ATOM 827 CG TYR A 50 2.204 -10.654 3.446 1.00 0.00 C ATOM 828 CD1 TYR A 50 3.087 -11.000 4.461 1.00 0.00 C ATOM 829 CD2 TYR A 50 2.289 -9.374 2.910 1.00 0.00 C ATOM 830 CE1 TYR A 50 4.025 -10.101 4.928 1.00 0.00 C ATOM 831 CE2 TYR A 50 3.225 -8.471 3.372 1.00 0.00 C ATOM 832 CZ TYR A 50 4.090 -8.838 4.381 1.00 0.00 C ATOM 833 OH TYR A 50 5.023 -7.938 4.843 1.00 0.00 O ATOM 0 H TYR A 50 1.418 -11.241 0.479 1.00 0.00 H new ATOM 0 HA TYR A 50 2.727 -13.024 2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.377 -11.108 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.745 -12.172 3.786 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.039 -11.989 4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.613 -9.082 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.704 -10.386 5.718 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.280 -7.481 2.945 1.00 0.00 H new ATOM 0 HH TYR A 50 4.717 -7.026 4.659 1.00 0.00 H new ATOM 843 N GLY A 51 -0.069 -13.801 0.868 1.00 0.00 N ATOM 844 CA GLY A 51 -1.002 -14.889 0.650 1.00 0.00 C ATOM 845 C GLY A 51 -0.425 -15.977 -0.234 1.00 0.00 C ATOM 846 O GLY A 51 -0.913 -17.108 -0.235 1.00 0.00 O ATOM 0 H GLY A 51 -0.175 -13.011 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.286 -15.318 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.911 -14.498 0.194 1.00 0.00 H new ATOM 850 N LYS A 52 0.616 -15.636 -0.990 1.00 0.00 N ATOM 851 CA LYS A 52 1.258 -16.594 -1.882 1.00 0.00 C ATOM 852 C LYS A 52 2.552 -17.128 -1.274 1.00 0.00 C ATOM 853 O LYS A 52 3.000 -18.224 -1.612 1.00 0.00 O ATOM 854 CB LYS A 52 1.546 -15.945 -3.237 1.00 0.00 C ATOM 855 CG LYS A 52 0.294 -15.598 -4.025 1.00 0.00 C ATOM 856 CD LYS A 52 -0.491 -16.844 -4.398 1.00 0.00 C ATOM 857 CE LYS A 52 -1.283 -16.641 -5.680 1.00 0.00 C ATOM 858 NZ LYS A 52 -2.375 -17.642 -5.825 1.00 0.00 N ATOM 0 H LYS A 52 1.031 -14.704 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 52 0.576 -17.432 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.129 -15.037 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.163 -16.620 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.336 -14.933 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.570 -15.056 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.194 -17.683 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.171 -17.104 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.708 -15.637 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.612 -16.710 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.890 -17.468 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.968 -18.599 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.031 -17.559 -5.022 1.00 0.00 H new ATOM 872 N ALA A 53 3.153 -16.348 -0.378 1.00 0.00 N ATOM 873 CA ALA A 53 4.396 -16.750 0.268 1.00 0.00 C ATOM 874 C ALA A 53 4.224 -18.067 1.022 1.00 0.00 C ATOM 875 O ALA A 53 4.522 -19.137 0.492 1.00 0.00 O ATOM 876 CB ALA A 53 4.884 -15.654 1.206 1.00 0.00 C ATOM 0 H ALA A 53 2.799 -15.437 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 53 5.146 -16.905 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.813 -15.969 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.058 -14.740 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.130 -15.468 1.971 1.00 0.00 H new ATOM 882 N ASP A 54 3.739 -17.985 2.261 1.00 0.00 N ATOM 883 CA ASP A 54 3.526 -19.173 3.084 1.00 0.00 C ATOM 884 C ASP A 54 3.205 -18.784 4.526 1.00 0.00 C ATOM 885 O ASP A 54 2.040 -18.720 4.916 1.00 0.00 O ATOM 886 CB ASP A 54 4.759 -20.085 3.047 1.00 0.00 C ATOM 887 CG ASP A 54 4.548 -21.306 2.173 1.00 0.00 C ATOM 888 OD1 ASP A 54 3.611 -21.292 1.347 1.00 0.00 O ATOM 889 OD2 ASP A 54 5.319 -22.278 2.315 1.00 0.00 O ATOM 0 H ASP A 54 3.487 -17.108 2.716 1.00 0.00 H new ATOM 0 HA ASP A 54 2.675 -19.718 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.615 -19.520 2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.002 -20.404 4.060 1.00 0.00 H new ATOM 894 N MET A 55 4.247 -18.524 5.315 1.00 0.00 N ATOM 895 CA MET A 55 4.075 -18.140 6.712 1.00 0.00 C ATOM 896 C MET A 55 5.429 -17.943 7.391 1.00 0.00 C ATOM 897 O MET A 55 5.612 -18.302 8.555 1.00 0.00 O ATOM 898 CB MET A 55 3.262 -19.202 7.460 1.00 0.00 C ATOM 899 CG MET A 55 1.799 -18.830 7.644 1.00 0.00 C ATOM 900 SD MET A 55 1.171 -19.260 9.279 1.00 0.00 S ATOM 901 CE MET A 55 -0.595 -19.149 9.002 1.00 0.00 C ATOM 0 H MET A 55 5.219 -18.573 5.009 1.00 0.00 H new ATOM 0 HA MET A 55 3.533 -17.194 6.740 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.323 -20.144 6.916 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.712 -19.369 8.439 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.678 -17.759 7.483 1.00 0.00 H new ATOM 0 HG3 MET A 55 1.202 -19.336 6.885 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.124 -19.388 9.925 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.851 -18.137 8.689 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.886 -19.854 8.224 1.00 0.00 H new ATOM 911 N ASN A 56 6.376 -17.369 6.655 1.00 0.00 N ATOM 912 CA ASN A 56 7.713 -17.125 7.185 1.00 0.00 C ATOM 913 C ASN A 56 7.803 -15.739 7.820 1.00 0.00 C ATOM 914 O ASN A 56 8.580 -15.521 8.749 1.00 0.00 O ATOM 915 CB ASN A 56 8.757 -17.259 6.076 1.00 0.00 C ATOM 916 CG ASN A 56 8.741 -18.630 5.430 1.00 0.00 C ATOM 917 OD1 ASN A 56 9.291 -19.590 5.970 1.00 0.00 O ATOM 918 ND2 ASN A 56 8.109 -18.729 4.266 1.00 0.00 N ATOM 0 H ASN A 56 6.242 -17.064 5.691 1.00 0.00 H new ATOM 0 HA ASN A 56 7.913 -17.871 7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.575 -16.500 5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.748 -17.066 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.066 -19.627 3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.667 -17.907 3.854 1.00 0.00 H new ATOM 925 N THR A 57 7.003 -14.809 7.310 1.00 0.00 N ATOM 926 CA THR A 57 6.990 -13.446 7.827 1.00 0.00 C ATOM 927 C THR A 57 5.572 -12.884 7.830 1.00 0.00 C ATOM 928 O THR A 57 5.312 -11.817 7.276 1.00 0.00 O ATOM 929 CB THR A 57 7.910 -12.552 6.987 1.00 0.00 C ATOM 930 OG1 THR A 57 8.170 -11.331 7.657 1.00 0.00 O ATOM 931 CG2 THR A 57 7.344 -12.214 5.622 1.00 0.00 C ATOM 0 H THR A 57 6.355 -14.974 6.539 1.00 0.00 H new ATOM 0 HA THR A 57 7.356 -13.465 8.854 1.00 0.00 H new ATOM 0 HB THR A 57 8.823 -13.132 6.848 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.331 -10.838 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.048 -11.579 5.083 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.179 -13.133 5.059 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.397 -11.687 5.741 1.00 0.00 H new ATOM 939 N PHE A 58 4.653 -13.610 8.452 1.00 0.00 N ATOM 940 CA PHE A 58 3.263 -13.177 8.514 1.00 0.00 C ATOM 941 C PHE A 58 2.896 -12.665 9.906 1.00 0.00 C ATOM 942 O PHE A 58 2.139 -13.308 10.634 1.00 0.00 O ATOM 943 CB PHE A 58 2.334 -14.325 8.111 1.00 0.00 C ATOM 944 CG PHE A 58 1.232 -13.905 7.181 1.00 0.00 C ATOM 945 CD1 PHE A 58 0.545 -12.719 7.390 1.00 0.00 C ATOM 946 CD2 PHE A 58 0.885 -14.692 6.096 1.00 0.00 C ATOM 947 CE1 PHE A 58 -0.467 -12.329 6.536 1.00 0.00 C ATOM 948 CE2 PHE A 58 -0.127 -14.308 5.238 1.00 0.00 C ATOM 949 CZ PHE A 58 -0.804 -13.124 5.459 1.00 0.00 C ATOM 0 H PHE A 58 4.843 -14.497 8.919 1.00 0.00 H new ATOM 0 HA PHE A 58 3.139 -12.352 7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.923 -15.108 7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.895 -14.759 9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.805 -12.093 8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.412 -15.618 5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.995 -11.403 6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.389 -14.932 4.396 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.596 -12.821 4.790 1.00 0.00 H new ATOM 959 N PRO A 59 3.416 -11.485 10.292 1.00 0.00 N ATOM 960 CA PRO A 59 3.121 -10.889 11.595 1.00 0.00 C ATOM 961 C PRO A 59 1.694 -10.369 11.660 1.00 0.00 C ATOM 962 O PRO A 59 0.981 -10.603 12.636 1.00 0.00 O ATOM 963 CB PRO A 59 4.117 -9.734 11.693 1.00 0.00 C ATOM 964 CG PRO A 59 4.401 -9.360 10.280 1.00 0.00 C ATOM 965 CD PRO A 59 4.316 -10.637 9.487 1.00 0.00 C ATOM 0 HA PRO A 59 3.210 -11.607 12.410 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.697 -8.895 12.248 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.026 -10.038 12.213 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.680 -8.627 9.918 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.389 -8.908 10.187 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.916 -10.463 8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.296 -11.098 9.362 1.00 0.00 H new ATOM 973 N ASN A 60 1.292 -9.666 10.603 1.00 0.00 N ATOM 974 CA ASN A 60 -0.052 -9.094 10.494 1.00 0.00 C ATOM 975 C ASN A 60 -0.040 -7.912 9.535 1.00 0.00 C ATOM 976 O ASN A 60 -0.941 -7.758 8.709 1.00 0.00 O ATOM 977 CB ASN A 60 -0.581 -8.633 11.859 1.00 0.00 C ATOM 978 CG ASN A 60 0.456 -7.863 12.654 1.00 0.00 C ATOM 979 OD1 ASN A 60 1.540 -7.563 12.155 1.00 0.00 O ATOM 980 ND2 ASN A 60 0.125 -7.538 13.898 1.00 0.00 N ATOM 0 H ASN A 60 1.888 -9.476 9.797 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.712 -9.874 10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.460 -8.006 11.711 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.902 -9.502 12.433 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.781 -7.019 14.481 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.785 -7.808 14.271 1.00 0.00 H new ATOM 987 N PHE A 61 0.990 -7.078 9.658 1.00 0.00 N ATOM 988 CA PHE A 61 1.135 -5.894 8.809 1.00 0.00 C ATOM 989 C PHE A 61 2.207 -4.956 9.360 1.00 0.00 C ATOM 990 O PHE A 61 2.044 -3.736 9.343 1.00 0.00 O ATOM 991 CB PHE A 61 -0.197 -5.140 8.702 1.00 0.00 C ATOM 992 CG PHE A 61 -0.998 -5.130 9.976 1.00 0.00 C ATOM 993 CD1 PHE A 61 -0.368 -5.119 11.214 1.00 0.00 C ATOM 994 CD2 PHE A 61 -2.383 -5.132 9.935 1.00 0.00 C ATOM 995 CE1 PHE A 61 -1.107 -5.111 12.382 1.00 0.00 C ATOM 996 CE2 PHE A 61 -3.126 -5.124 11.100 1.00 0.00 C ATOM 997 CZ PHE A 61 -2.487 -5.114 12.324 1.00 0.00 C ATOM 0 H PHE A 61 1.740 -7.199 10.339 1.00 0.00 H new ATOM 0 HA PHE A 61 1.437 -6.232 7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.003 -4.111 8.402 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.796 -5.592 7.912 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.711 -5.117 11.264 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.888 -5.140 8.980 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.606 -5.102 13.339 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.205 -5.126 11.053 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.066 -5.109 13.236 1.00 0.00 H new ATOM 1007 N THR A 62 3.296 -5.532 9.855 1.00 0.00 N ATOM 1008 CA THR A 62 4.385 -4.743 10.417 1.00 0.00 C ATOM 1009 C THR A 62 5.316 -4.232 9.320 1.00 0.00 C ATOM 1010 O THR A 62 5.635 -3.044 9.272 1.00 0.00 O ATOM 1011 CB THR A 62 5.153 -5.573 11.456 1.00 0.00 C ATOM 1012 OG1 THR A 62 5.638 -4.747 12.496 1.00 0.00 O ATOM 1013 CG2 THR A 62 6.334 -6.337 10.893 1.00 0.00 C ATOM 0 H THR A 62 3.448 -6.540 9.879 1.00 0.00 H new ATOM 0 HA THR A 62 3.962 -3.871 10.916 1.00 0.00 H new ATOM 0 HB THR A 62 4.426 -6.298 11.821 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.123 -5.294 13.149 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.820 -6.896 11.692 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.987 -7.029 10.125 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.045 -5.637 10.456 1.00 0.00 H new ATOM 1021 N PHE A 63 5.754 -5.136 8.445 1.00 0.00 N ATOM 1022 CA PHE A 63 6.656 -4.783 7.350 1.00 0.00 C ATOM 1023 C PHE A 63 8.043 -4.446 7.886 1.00 0.00 C ATOM 1024 O PHE A 63 9.039 -5.058 7.500 1.00 0.00 O ATOM 1025 CB PHE A 63 6.098 -3.603 6.547 1.00 0.00 C ATOM 1026 CG PHE A 63 5.593 -3.988 5.187 1.00 0.00 C ATOM 1027 CD1 PHE A 63 4.434 -4.733 5.050 1.00 0.00 C ATOM 1028 CD2 PHE A 63 6.279 -3.605 4.045 1.00 0.00 C ATOM 1029 CE1 PHE A 63 3.966 -5.088 3.799 1.00 0.00 C ATOM 1030 CE2 PHE A 63 5.817 -3.958 2.791 1.00 0.00 C ATOM 1031 CZ PHE A 63 4.658 -4.701 2.668 1.00 0.00 C ATOM 0 H PHE A 63 5.497 -6.123 8.474 1.00 0.00 H new ATOM 0 HA PHE A 63 6.738 -5.645 6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.286 -3.142 7.110 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.877 -2.849 6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.890 -5.040 5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.185 -3.024 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.060 -5.668 3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.361 -3.654 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.294 -4.978 1.690 1.00 0.00 H new ATOM 1041 N GLU A 64 8.092 -3.472 8.784 1.00 0.00 N ATOM 1042 CA GLU A 64 9.343 -3.041 9.390 1.00 0.00 C ATOM 1043 C GLU A 64 9.074 -2.067 10.533 1.00 0.00 C ATOM 1044 O GLU A 64 9.856 -1.147 10.774 1.00 0.00 O ATOM 1045 CB GLU A 64 10.246 -2.385 8.344 1.00 0.00 C ATOM 1046 CG GLU A 64 9.588 -1.222 7.617 1.00 0.00 C ATOM 1047 CD GLU A 64 9.853 0.110 8.290 1.00 0.00 C ATOM 1048 OE1 GLU A 64 10.924 0.701 8.036 1.00 0.00 O ATOM 1049 OE2 GLU A 64 8.989 0.562 9.071 1.00 0.00 O ATOM 0 H GLU A 64 7.272 -2.962 9.111 1.00 0.00 H new ATOM 0 HA GLU A 64 9.850 -3.919 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.155 -2.031 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.547 -3.136 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.954 -1.186 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.513 -1.392 7.566 1.00 0.00 H new ATOM 1056 N ASP A 65 7.958 -2.272 11.231 1.00 0.00 N ATOM 1057 CA ASP A 65 7.581 -1.410 12.347 1.00 0.00 C ATOM 1058 C ASP A 65 8.736 -1.244 13.334 1.00 0.00 C ATOM 1059 O ASP A 65 9.655 -2.061 13.369 1.00 0.00 O ATOM 1060 CB ASP A 65 6.358 -1.982 13.068 1.00 0.00 C ATOM 1061 CG ASP A 65 5.109 -1.953 12.207 1.00 0.00 C ATOM 1062 OD1 ASP A 65 5.172 -1.404 11.086 1.00 0.00 O ATOM 1063 OD2 ASP A 65 4.069 -2.479 12.653 1.00 0.00 O ATOM 0 H ASP A 65 7.300 -3.028 11.042 1.00 0.00 H new ATOM 0 HA ASP A 65 7.334 -0.428 11.943 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.565 -3.009 13.368 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.179 -1.413 13.981 1.00 0.00 H new ATOM 1068 N PRO A 66 8.703 -0.177 14.152 1.00 0.00 N ATOM 1069 CA PRO A 66 9.749 0.098 15.140 1.00 0.00 C ATOM 1070 C PRO A 66 9.573 -0.707 16.425 1.00 0.00 C ATOM 1071 O PRO A 66 10.306 -0.511 17.394 1.00 0.00 O ATOM 1072 CB PRO A 66 9.554 1.584 15.418 1.00 0.00 C ATOM 1073 CG PRO A 66 8.085 1.779 15.284 1.00 0.00 C ATOM 1074 CD PRO A 66 7.645 0.853 14.178 1.00 0.00 C ATOM 0 HA PRO A 66 10.741 -0.171 14.778 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.904 1.854 16.414 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.106 2.200 14.708 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.573 1.544 16.217 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.849 2.815 15.043 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.667 0.419 14.383 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.569 1.375 13.224 1.00 0.00 H new ATOM 1082 N LYS A 67 8.597 -1.614 16.430 1.00 0.00 N ATOM 1083 CA LYS A 67 8.331 -2.446 17.600 1.00 0.00 C ATOM 1084 C LYS A 67 9.604 -3.134 18.089 1.00 0.00 C ATOM 1085 O LYS A 67 9.694 -3.538 19.248 1.00 0.00 O ATOM 1086 CB LYS A 67 7.267 -3.495 17.272 1.00 0.00 C ATOM 1087 CG LYS A 67 6.870 -4.352 18.464 1.00 0.00 C ATOM 1088 CD LYS A 67 6.082 -5.578 18.031 1.00 0.00 C ATOM 1089 CE LYS A 67 6.970 -6.589 17.325 1.00 0.00 C ATOM 1090 NZ LYS A 67 6.546 -7.990 17.604 1.00 0.00 N ATOM 0 H LYS A 67 7.979 -1.790 15.638 1.00 0.00 H new ATOM 0 HA LYS A 67 7.965 -1.798 18.396 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.381 -2.993 16.885 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.639 -4.142 16.478 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.765 -4.665 19.003 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.272 -3.760 19.156 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.622 -6.043 18.903 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.273 -5.276 17.366 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.943 -6.408 16.250 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.003 -6.451 17.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.176 -8.649 17.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.596 -8.171 18.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.569 -8.129 17.275 1.00 0.00 H new ATOM 1104 N PHE A 68 10.587 -3.262 17.201 1.00 0.00 N ATOM 1105 CA PHE A 68 11.851 -3.897 17.552 1.00 0.00 C ATOM 1106 C PHE A 68 12.913 -2.853 17.882 1.00 0.00 C ATOM 1107 O PHE A 68 14.105 -3.080 17.676 1.00 0.00 O ATOM 1108 CB PHE A 68 12.335 -4.797 16.412 1.00 0.00 C ATOM 1109 CG PHE A 68 12.253 -4.155 15.056 1.00 0.00 C ATOM 1110 CD1 PHE A 68 12.986 -3.015 14.766 1.00 0.00 C ATOM 1111 CD2 PHE A 68 11.444 -4.696 14.069 1.00 0.00 C ATOM 1112 CE1 PHE A 68 12.913 -2.427 13.518 1.00 0.00 C ATOM 1113 CE2 PHE A 68 11.368 -4.112 12.819 1.00 0.00 C ATOM 1114 CZ PHE A 68 12.103 -2.976 12.543 1.00 0.00 C ATOM 0 H PHE A 68 10.531 -2.935 16.236 1.00 0.00 H new ATOM 0 HA PHE A 68 11.684 -4.510 18.438 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.368 -5.087 16.604 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.742 -5.712 16.407 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.621 -2.581 15.524 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.867 -5.584 14.279 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.489 -1.539 13.305 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.734 -4.544 12.058 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.045 -2.518 11.567 1.00 0.00 H new ATOM 1124 N GLU A 69 12.471 -1.710 18.395 1.00 0.00 N ATOM 1125 CA GLU A 69 13.381 -0.628 18.756 1.00 0.00 C ATOM 1126 C GLU A 69 14.072 -0.058 17.521 1.00 0.00 C ATOM 1127 O GLU A 69 14.697 -0.790 16.754 1.00 0.00 O ATOM 1128 CB GLU A 69 14.427 -1.122 19.758 1.00 0.00 C ATOM 1129 CG GLU A 69 15.076 -0.006 20.561 1.00 0.00 C ATOM 1130 CD GLU A 69 16.395 0.447 19.967 1.00 0.00 C ATOM 1131 OE1 GLU A 69 16.563 0.332 18.735 1.00 0.00 O ATOM 1132 OE2 GLU A 69 17.261 0.918 20.735 1.00 0.00 O ATOM 0 H GLU A 69 11.487 -1.508 18.571 1.00 0.00 H new ATOM 0 HA GLU A 69 12.792 0.165 19.218 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.956 -1.826 20.445 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.202 -1.670 19.221 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.394 0.843 20.613 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.240 -0.347 21.583 1.00 0.00 H new ATOM 1139 N VAL A 70 13.955 1.253 17.338 1.00 0.00 N ATOM 1140 CA VAL A 70 14.568 1.925 16.199 1.00 0.00 C ATOM 1141 C VAL A 70 14.317 3.431 16.252 1.00 0.00 C ATOM 1142 O VAL A 70 14.085 4.070 15.226 1.00 0.00 O ATOM 1143 CB VAL A 70 14.037 1.366 14.863 1.00 0.00 C ATOM 1144 CG1 VAL A 70 12.547 1.638 14.718 1.00 0.00 C ATOM 1145 CG2 VAL A 70 14.812 1.950 13.691 1.00 0.00 C ATOM 0 H VAL A 70 13.441 1.872 17.965 1.00 0.00 H new ATOM 0 HA VAL A 70 15.640 1.738 16.257 1.00 0.00 H new ATOM 0 HB VAL A 70 14.184 0.286 14.862 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.194 1.235 13.769 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.009 1.161 15.537 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.369 2.713 14.744 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.422 1.543 12.758 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.703 3.035 13.687 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.866 1.691 13.787 1.00 0.00 H new ATOM 1155 N VAL A 71 14.362 3.990 17.457 1.00 0.00 N ATOM 1156 CA VAL A 71 14.139 5.417 17.647 1.00 0.00 C ATOM 1157 C VAL A 71 15.206 6.241 16.934 1.00 0.00 C ATOM 1158 O VAL A 71 14.891 7.149 16.164 1.00 0.00 O ATOM 1159 CB VAL A 71 14.132 5.791 19.141 1.00 0.00 C ATOM 1160 CG1 VAL A 71 13.699 7.237 19.329 1.00 0.00 C ATOM 1161 CG2 VAL A 71 13.228 4.850 19.923 1.00 0.00 C ATOM 0 H VAL A 71 14.551 3.475 18.317 1.00 0.00 H new ATOM 0 HA VAL A 71 13.163 5.643 17.219 1.00 0.00 H new ATOM 0 HB VAL A 71 15.146 5.688 19.527 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.700 7.482 20.391 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.391 7.895 18.804 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.695 7.371 18.927 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.236 5.130 20.976 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.211 4.918 19.537 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.589 3.827 19.817 1.00 0.00 H new ATOM 1171 N GLU A 72 16.468 5.920 17.197 1.00 0.00 N ATOM 1172 CA GLU A 72 17.582 6.632 16.580 1.00 0.00 C ATOM 1173 C GLU A 72 17.566 8.106 16.971 1.00 0.00 C ATOM 1174 O GLU A 72 17.989 8.967 16.199 1.00 0.00 O ATOM 1175 CB GLU A 72 17.524 6.494 15.058 1.00 0.00 C ATOM 1176 CG GLU A 72 18.732 7.081 14.347 1.00 0.00 C ATOM 1177 CD GLU A 72 18.395 8.332 13.558 1.00 0.00 C ATOM 1178 OE1 GLU A 72 17.265 8.416 13.033 1.00 0.00 O ATOM 1179 OE2 GLU A 72 19.262 9.227 13.467 1.00 0.00 O ATOM 0 H GLU A 72 16.745 5.172 17.833 1.00 0.00 H new ATOM 0 HA GLU A 72 18.510 6.188 16.941 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.439 5.438 14.800 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.623 6.985 14.691 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.502 7.316 15.082 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.151 6.333 13.674 1.00 0.00 H new ATOM 1186 N LYS A 73 17.078 8.390 18.174 1.00 0.00 N ATOM 1187 CA LYS A 73 17.007 9.761 18.667 1.00 0.00 C ATOM 1188 C LYS A 73 17.532 9.851 20.098 1.00 0.00 C ATOM 1189 O LYS A 73 16.755 9.930 21.050 1.00 0.00 O ATOM 1190 CB LYS A 73 15.567 10.273 18.605 1.00 0.00 C ATOM 1191 CG LYS A 73 15.416 11.717 19.056 1.00 0.00 C ATOM 1192 CD LYS A 73 14.682 11.816 20.386 1.00 0.00 C ATOM 1193 CE LYS A 73 13.229 12.215 20.191 1.00 0.00 C ATOM 1194 NZ LYS A 73 12.426 12.009 21.428 1.00 0.00 N ATOM 0 H LYS A 73 16.726 7.689 18.826 1.00 0.00 H new ATOM 0 HA LYS A 73 17.634 10.385 18.029 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.201 10.180 17.583 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.937 9.638 19.228 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.401 12.174 19.149 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.873 12.281 18.297 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.731 10.857 20.902 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.179 12.547 21.024 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.177 13.263 19.895 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.798 11.632 19.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.441 12.293 21.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.454 11.005 21.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.821 12.585 22.198 1.00 0.00 H new ATOM 1208 N PRO A 74 18.866 9.840 20.270 1.00 0.00 N ATOM 1209 CA PRO A 74 19.493 9.921 21.594 1.00 0.00 C ATOM 1210 C PRO A 74 19.092 11.185 22.347 1.00 0.00 C ATOM 1211 O PRO A 74 18.312 11.133 23.298 1.00 0.00 O ATOM 1212 CB PRO A 74 20.998 9.926 21.292 1.00 0.00 C ATOM 1213 CG PRO A 74 21.112 10.269 19.844 1.00 0.00 C ATOM 1214 CD PRO A 74 19.864 9.748 19.194 1.00 0.00 C ATOM 0 HA PRO A 74 19.185 9.096 22.237 1.00 0.00 H new ATOM 0 HB2 PRO A 74 21.520 10.656 21.911 1.00 0.00 H new ATOM 0 HB3 PRO A 74 21.444 8.954 21.501 1.00 0.00 H new ATOM 0 HG2 PRO A 74 21.204 11.346 19.705 1.00 0.00 H new ATOM 0 HG3 PRO A 74 22.000 9.814 19.404 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.580 10.346 18.328 1.00 0.00 H new ATOM 0 HD3 PRO A 74 19.988 8.723 18.846 1.00 0.00 H new ATOM 1222 N GLN A 75 19.631 12.318 21.917 1.00 0.00 N ATOM 1223 CA GLN A 75 19.332 13.598 22.550 1.00 0.00 C ATOM 1224 C GLN A 75 18.474 14.468 21.637 1.00 0.00 C ATOM 1225 O GLN A 75 17.306 14.729 21.930 1.00 0.00 O ATOM 1226 CB GLN A 75 20.627 14.331 22.902 1.00 0.00 C ATOM 1227 CG GLN A 75 21.574 13.513 23.765 1.00 0.00 C ATOM 1228 CD GLN A 75 22.860 14.250 24.081 1.00 0.00 C ATOM 1229 OE1 GLN A 75 23.555 14.722 23.182 1.00 0.00 O ATOM 1230 NE2 GLN A 75 23.184 14.353 25.364 1.00 0.00 N ATOM 0 H GLN A 75 20.279 12.378 21.131 1.00 0.00 H new ATOM 0 HA GLN A 75 18.774 13.401 23.465 1.00 0.00 H new ATOM 0 HB2 GLN A 75 21.138 14.611 21.981 1.00 0.00 H new ATOM 0 HB3 GLN A 75 20.381 15.256 23.423 1.00 0.00 H new ATOM 0 HG2 GLN A 75 21.073 13.248 24.696 1.00 0.00 H new ATOM 0 HG3 GLN A 75 21.811 12.580 23.254 1.00 0.00 H new ATOM 0 HE21 GLN A 75 22.578 13.947 26.077 1.00 0.00 H new ATOM 0 HE22 GLN A 75 24.039 14.839 25.637 1.00 0.00 H new ATOM 1239 N SER A 76 19.060 14.915 20.531 1.00 0.00 N ATOM 1240 CA SER A 76 18.348 15.757 19.576 1.00 0.00 C ATOM 1241 C SER A 76 17.209 14.987 18.916 1.00 0.00 C ATOM 1242 O SER A 76 17.485 13.942 18.291 1.00 0.00 O ATOM 1243 CB SER A 76 19.311 16.279 18.508 1.00 0.00 C ATOM 1244 OG SER A 76 18.991 17.609 18.139 1.00 0.00 O ATOM 1245 OXT SER A 76 16.048 15.436 19.032 1.00 0.00 O ATOM 0 H SER A 76 20.025 14.709 20.274 1.00 0.00 H new ATOM 0 HA SER A 76 17.925 16.602 20.119 1.00 0.00 H new ATOM 0 HB2 SER A 76 20.333 16.239 18.885 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.269 15.635 17.630 1.00 0.00 H new ATOM 0 HG SER A 76 19.622 17.920 17.457 1.00 0.00 H new TER 1251 SER A 76