USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 245 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 133 ASN : amide:sc= -2.05! K(o=-2!,f=-0.28) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -0.727 K(o=-0.73,f=-1.9) USER MOD Single : A 142 GLN : amide:sc= -0.169 K(o=-0.17,f=0.95) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 LYS NZ :NH3+ 158:sc= -0.017 (180deg=-0.17) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.42) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -150:sc= -4.5! USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -21.970 -3.988 6.572 1.00 0.00 N ATOM 20 CA VAL A 132 -21.836 -2.541 6.545 1.00 0.00 C ATOM 21 C VAL A 132 -20.475 -2.148 7.122 1.00 0.00 C ATOM 22 O VAL A 132 -19.644 -1.571 6.422 1.00 0.00 O ATOM 23 CB VAL A 132 -23.009 -1.893 7.284 1.00 0.00 C ATOM 24 CG1 VAL A 132 -22.793 -0.387 7.439 1.00 0.00 C ATOM 25 CG2 VAL A 132 -24.333 -2.188 6.576 1.00 0.00 C ATOM 0 HA VAL A 132 -21.872 -2.173 5.520 1.00 0.00 H new ATOM 0 HB VAL A 132 -23.059 -2.329 8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -23.641 0.050 7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -21.880 -0.207 8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -22.704 0.071 6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -25.150 -1.716 7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -24.299 -1.793 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -24.495 -3.265 6.541 1.00 0.00 H new ATOM 35 N ASN A 133 -20.289 -2.477 8.392 1.00 0.00 N ATOM 36 CA ASN A 133 -19.043 -2.165 9.071 1.00 0.00 C ATOM 37 C ASN A 133 -17.874 -2.372 8.104 1.00 0.00 C ATOM 38 O ASN A 133 -16.860 -1.683 8.195 1.00 0.00 O ATOM 39 CB ASN A 133 -18.827 -3.082 10.276 1.00 0.00 C ATOM 40 CG ASN A 133 -19.619 -4.383 10.124 1.00 0.00 C ATOM 41 OD1 ASN A 133 -20.569 -4.649 10.840 1.00 0.00 O ATOM 42 ND2 ASN A 133 -19.175 -5.175 9.151 1.00 0.00 N ATOM 0 H ASN A 133 -20.980 -2.957 8.969 1.00 0.00 H new ATOM 0 HA ASN A 133 -19.094 -1.130 9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -17.766 -3.308 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.134 -2.569 11.187 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -19.637 -6.066 8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -18.373 -4.891 8.588 1.00 0.00 H new ATOM 48 N MET A 134 -18.058 -3.323 7.201 1.00 0.00 N ATOM 49 CA MET A 134 -17.032 -3.631 6.219 1.00 0.00 C ATOM 50 C MET A 134 -16.990 -2.568 5.119 1.00 0.00 C ATOM 51 O MET A 134 -15.945 -1.969 4.868 1.00 0.00 O ATOM 52 CB MET A 134 -17.315 -4.999 5.596 1.00 0.00 C ATOM 53 CG MET A 134 -16.579 -6.108 6.352 1.00 0.00 C ATOM 54 SD MET A 134 -14.833 -6.038 5.991 1.00 0.00 S ATOM 55 CE MET A 134 -14.386 -7.740 6.291 1.00 0.00 C ATOM 0 H MET A 134 -18.902 -3.891 7.128 1.00 0.00 H new ATOM 0 HA MET A 134 -16.066 -3.645 6.723 1.00 0.00 H new ATOM 0 HB2 MET A 134 -18.387 -5.194 5.610 1.00 0.00 H new ATOM 0 HB3 MET A 134 -17.005 -4.998 4.551 1.00 0.00 H new ATOM 0 HG2 MET A 134 -16.742 -5.998 7.424 1.00 0.00 H new ATOM 0 HG3 MET A 134 -16.979 -7.081 6.067 1.00 0.00 H new ATOM 0 HE1 MET A 134 -13.319 -7.873 6.111 1.00 0.00 H new ATOM 0 HE2 MET A 134 -14.614 -7.999 7.325 1.00 0.00 H new ATOM 0 HE3 MET A 134 -14.951 -8.388 5.621 1.00 0.00 H new ATOM 63 N ASP A 135 -18.140 -2.365 4.493 1.00 0.00 N ATOM 64 CA ASP A 135 -18.248 -1.385 3.425 1.00 0.00 C ATOM 65 C ASP A 135 -17.565 -0.087 3.860 1.00 0.00 C ATOM 66 O ASP A 135 -16.789 0.494 3.102 1.00 0.00 O ATOM 67 CB ASP A 135 -19.713 -1.067 3.115 1.00 0.00 C ATOM 68 CG ASP A 135 -19.981 -0.582 1.690 1.00 0.00 C ATOM 69 OD1 ASP A 135 -19.338 0.417 1.300 1.00 0.00 O ATOM 70 OD2 ASP A 135 -20.823 -1.219 1.022 1.00 0.00 O ATOM 0 H ASP A 135 -19.005 -2.862 4.705 1.00 0.00 H new ATOM 0 HA ASP A 135 -17.773 -1.801 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -20.310 -1.961 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -20.059 -0.305 3.813 1.00 0.00 H new ATOM 74 N LEU A 136 -17.877 0.330 5.077 1.00 0.00 N ATOM 75 CA LEU A 136 -17.303 1.549 5.622 1.00 0.00 C ATOM 76 C LEU A 136 -15.787 1.378 5.755 1.00 0.00 C ATOM 77 O LEU A 136 -15.020 2.110 5.132 1.00 0.00 O ATOM 78 CB LEU A 136 -17.996 1.930 6.932 1.00 0.00 C ATOM 79 CG LEU A 136 -17.378 3.096 7.704 1.00 0.00 C ATOM 80 CD1 LEU A 136 -18.445 4.116 8.104 1.00 0.00 C ATOM 81 CD2 LEU A 136 -16.582 2.595 8.911 1.00 0.00 C ATOM 0 H LEU A 136 -18.521 -0.155 5.703 1.00 0.00 H new ATOM 0 HA LEU A 136 -17.473 2.386 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -19.035 2.176 6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -18.007 1.055 7.582 1.00 0.00 H new ATOM 0 HG LEU A 136 -16.676 3.607 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -17.978 4.935 8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -18.928 4.507 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -19.190 3.634 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -16.153 3.445 9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -17.244 2.045 9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -15.781 1.938 8.571 1.00 0.00 H new ATOM 92 N ARG A 137 -15.403 0.407 6.571 1.00 0.00 N ATOM 93 CA ARG A 137 -13.994 0.132 6.794 1.00 0.00 C ATOM 94 C ARG A 137 -13.219 0.232 5.479 1.00 0.00 C ATOM 95 O ARG A 137 -12.526 1.218 5.236 1.00 0.00 O ATOM 96 CB ARG A 137 -13.794 -1.262 7.392 1.00 0.00 C ATOM 97 CG ARG A 137 -12.998 -1.190 8.696 1.00 0.00 C ATOM 98 CD ARG A 137 -13.137 -2.487 9.497 1.00 0.00 C ATOM 99 NE ARG A 137 -12.949 -2.214 10.938 1.00 0.00 N ATOM 100 CZ ARG A 137 -11.770 -1.912 11.498 1.00 0.00 C ATOM 101 NH1 ARG A 137 -10.667 -1.842 10.739 1.00 0.00 N ATOM 102 NH2 ARG A 137 -11.692 -1.679 12.815 1.00 0.00 N ATOM 0 H ARG A 137 -16.043 -0.198 7.085 1.00 0.00 H new ATOM 0 HA ARG A 137 -13.618 0.874 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.763 -1.724 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -13.271 -1.897 6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.947 -1.006 8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.349 -0.350 9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.120 -2.926 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -12.400 -3.215 9.157 1.00 0.00 H new ATOM 0 HE ARG A 137 -13.768 -2.258 11.544 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.726 -2.019 9.736 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -9.769 -1.612 11.164 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -12.531 -1.731 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -10.794 -1.449 13.240 1.00 0.00 H new ATOM 113 N ALA A 138 -13.364 -0.803 4.664 1.00 0.00 N ATOM 114 CA ALA A 138 -12.686 -0.844 3.379 1.00 0.00 C ATOM 115 C ALA A 138 -12.801 0.523 2.702 1.00 0.00 C ATOM 116 O ALA A 138 -11.795 1.197 2.482 1.00 0.00 O ATOM 117 CB ALA A 138 -13.277 -1.968 2.526 1.00 0.00 C ATOM 0 H ALA A 138 -13.941 -1.619 4.868 1.00 0.00 H new ATOM 0 HA ALA A 138 -11.625 -1.058 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -12.769 -1.999 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -13.144 -2.921 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -14.340 -1.786 2.370 1.00 0.00 H new ATOM 123 N ASN A 139 -14.035 0.893 2.393 1.00 0.00 N ATOM 124 CA ASN A 139 -14.294 2.168 1.746 1.00 0.00 C ATOM 125 C ASN A 139 -13.328 3.219 2.297 1.00 0.00 C ATOM 126 O ASN A 139 -12.884 4.103 1.565 1.00 0.00 O ATOM 127 CB ASN A 139 -15.721 2.646 2.022 1.00 0.00 C ATOM 128 CG ASN A 139 -15.903 4.105 1.598 1.00 0.00 C ATOM 129 OD1 ASN A 139 -15.227 4.611 0.717 1.00 0.00 O ATOM 130 ND2 ASN A 139 -16.849 4.750 2.274 1.00 0.00 N ATOM 0 H ASN A 139 -14.867 0.332 2.579 1.00 0.00 H new ATOM 0 HA ASN A 139 -14.160 2.035 0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -16.430 2.016 1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -15.944 2.542 3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -17.046 5.729 2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -17.378 4.266 2.999 1.00 0.00 H new ATOM 136 N LEU A 140 -13.032 3.090 3.581 1.00 0.00 N ATOM 137 CA LEU A 140 -12.127 4.018 4.238 1.00 0.00 C ATOM 138 C LEU A 140 -10.682 3.607 3.948 1.00 0.00 C ATOM 139 O LEU A 140 -10.013 4.222 3.119 1.00 0.00 O ATOM 140 CB LEU A 140 -12.450 4.116 5.730 1.00 0.00 C ATOM 141 CG LEU A 140 -13.066 5.435 6.198 1.00 0.00 C ATOM 142 CD1 LEU A 140 -14.444 5.652 5.568 1.00 0.00 C ATOM 143 CD2 LEU A 140 -13.116 5.506 7.726 1.00 0.00 C ATOM 0 H LEU A 140 -13.403 2.356 4.185 1.00 0.00 H new ATOM 0 HA LEU A 140 -12.259 5.024 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -13.134 3.307 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -11.531 3.947 6.292 1.00 0.00 H new ATOM 0 HG LEU A 140 -12.426 6.249 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -14.859 6.597 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -14.348 5.678 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -15.108 4.836 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -13.558 6.454 8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -13.720 4.683 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -12.105 5.431 8.127 1.00 0.00 H new ATOM 172 N GLN A 142 -9.151 0.689 2.512 1.00 0.00 N ATOM 173 CA GLN A 142 -8.984 0.318 1.116 1.00 0.00 C ATOM 174 C GLN A 142 -7.625 0.794 0.600 1.00 0.00 C ATOM 175 O GLN A 142 -7.550 1.744 -0.178 1.00 0.00 O ATOM 176 CB GLN A 142 -10.122 0.877 0.261 1.00 0.00 C ATOM 177 CG GLN A 142 -10.200 2.400 0.379 1.00 0.00 C ATOM 178 CD GLN A 142 -10.677 3.028 -0.932 1.00 0.00 C ATOM 179 OE1 GLN A 142 -11.698 3.695 -0.996 1.00 0.00 O ATOM 180 NE2 GLN A 142 -9.885 2.780 -1.971 1.00 0.00 N ATOM 0 HA GLN A 142 -9.018 -0.769 1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -9.970 0.597 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -11.068 0.436 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -10.881 2.671 1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -9.220 2.799 0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -9.045 2.214 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -10.117 3.156 -2.890 1.00 0.00 H new ATOM 187 N VAL A 143 -6.583 0.112 1.053 1.00 0.00 N ATOM 188 CA VAL A 143 -5.231 0.452 0.645 1.00 0.00 C ATOM 189 C VAL A 143 -4.934 1.900 1.040 1.00 0.00 C ATOM 190 O VAL A 143 -5.535 2.830 0.501 1.00 0.00 O ATOM 191 CB VAL A 143 -5.054 0.192 -0.852 1.00 0.00 C ATOM 192 CG1 VAL A 143 -6.259 -0.557 -1.425 1.00 0.00 C ATOM 193 CG2 VAL A 143 -4.810 1.498 -1.611 1.00 0.00 C ATOM 0 H VAL A 143 -6.648 -0.675 1.699 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.507 -0.181 1.158 1.00 0.00 H new ATOM 0 HB VAL A 143 -4.175 -0.439 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -6.107 -0.729 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.369 -1.514 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -7.161 0.038 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.688 1.284 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.661 2.165 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -3.908 1.977 -1.231 1.00 0.00 H new ATOM 203 N LYS A 144 -4.007 2.047 1.974 1.00 0.00 N ATOM 204 CA LYS A 144 -3.623 3.367 2.446 1.00 0.00 C ATOM 205 C LYS A 144 -2.119 3.558 2.246 1.00 0.00 C ATOM 206 O LYS A 144 -1.330 2.663 2.546 1.00 0.00 O ATOM 207 CB LYS A 144 -4.081 3.573 3.892 1.00 0.00 C ATOM 208 CG LYS A 144 -5.599 3.751 3.966 1.00 0.00 C ATOM 209 CD LYS A 144 -5.967 5.215 4.219 1.00 0.00 C ATOM 210 CE LYS A 144 -7.450 5.355 4.568 1.00 0.00 C ATOM 211 NZ LYS A 144 -7.784 6.769 4.851 1.00 0.00 N ATOM 0 H LYS A 144 -3.510 1.274 2.417 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.124 4.140 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.782 2.718 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.588 4.449 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.054 3.413 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.004 3.127 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.359 5.611 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.740 5.809 3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -8.060 4.989 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -7.685 4.739 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -8.794 6.847 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.215 7.106 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.578 7.349 4.013 1.00 0.00 H new ATOM 221 N LYS A 145 -1.767 4.730 1.738 1.00 0.00 N ATOM 222 CA LYS A 145 -0.370 5.050 1.492 1.00 0.00 C ATOM 223 C LYS A 145 -0.248 6.530 1.123 1.00 0.00 C ATOM 224 O LYS A 145 -1.085 7.063 0.397 1.00 0.00 O ATOM 225 CB LYS A 145 0.220 4.104 0.445 1.00 0.00 C ATOM 226 CG LYS A 145 -0.286 4.453 -0.956 1.00 0.00 C ATOM 227 CD LYS A 145 0.879 4.634 -1.931 1.00 0.00 C ATOM 228 CE LYS A 145 0.840 3.576 -3.036 1.00 0.00 C ATOM 229 NZ LYS A 145 -0.346 3.770 -3.898 1.00 0.00 N ATOM 0 H LYS A 145 -2.424 5.470 1.490 1.00 0.00 H new ATOM 0 HA LYS A 145 0.221 4.896 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 145 1.308 4.164 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.048 3.076 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -0.946 3.663 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -0.877 5.368 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 145 0.836 5.629 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 145 1.823 4.566 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 145 1.747 3.636 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 145 0.816 2.580 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 -0.181 3.321 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 -1.178 3.338 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -0.515 4.787 -4.033 1.00 0.00 H new ATOM 239 N GLU A 146 0.802 7.151 1.640 1.00 0.00 N ATOM 240 CA GLU A 146 1.044 8.558 1.374 1.00 0.00 C ATOM 241 C GLU A 146 2.441 8.753 0.780 1.00 0.00 C ATOM 242 O GLU A 146 2.862 9.882 0.531 1.00 0.00 O ATOM 243 CB GLU A 146 0.867 9.395 2.643 1.00 0.00 C ATOM 244 CG GLU A 146 -0.542 9.987 2.716 1.00 0.00 C ATOM 245 CD GLU A 146 -1.086 9.931 4.146 1.00 0.00 C ATOM 246 OE1 GLU A 146 -0.652 10.783 4.952 1.00 0.00 O ATOM 247 OE2 GLU A 146 -1.923 9.039 4.399 1.00 0.00 O ATOM 0 H GLU A 146 1.495 6.705 2.242 1.00 0.00 H new ATOM 0 HA GLU A 146 0.309 8.901 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 146 1.051 8.775 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 146 1.604 10.198 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -0.525 11.020 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -1.206 9.438 2.048 1.00 0.00 H new ATOM 252 N ASP A 147 3.120 7.636 0.568 1.00 0.00 N ATOM 253 CA ASP A 147 4.461 7.670 0.009 1.00 0.00 C ATOM 254 C ASP A 147 5.016 6.246 -0.060 1.00 0.00 C ATOM 255 O ASP A 147 5.075 5.650 -1.134 1.00 0.00 O ATOM 256 CB ASP A 147 5.402 8.503 0.881 1.00 0.00 C ATOM 257 CG ASP A 147 5.924 9.785 0.229 1.00 0.00 C ATOM 258 OD1 ASP A 147 6.547 9.660 -0.848 1.00 0.00 O ATOM 259 OD2 ASP A 147 5.688 10.859 0.821 1.00 0.00 O ATOM 0 H ASP A 147 2.767 6.701 0.773 1.00 0.00 H new ATOM 0 HA ASP A 147 4.401 8.117 -0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 147 4.881 8.768 1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 147 6.254 7.884 1.164 1.00 0.00 H new ATOM 263 N THR A 148 5.410 5.741 1.100 1.00 0.00 N ATOM 264 CA THR A 148 5.958 4.399 1.185 1.00 0.00 C ATOM 265 C THR A 148 6.062 3.957 2.647 1.00 0.00 C ATOM 266 O THR A 148 5.524 2.918 3.025 1.00 0.00 O ATOM 267 CB THR A 148 7.300 4.389 0.451 1.00 0.00 C ATOM 268 OG1 THR A 148 7.945 3.208 0.920 1.00 0.00 O ATOM 269 CG2 THR A 148 8.224 5.522 0.901 1.00 0.00 C ATOM 0 H THR A 148 5.360 6.238 1.989 1.00 0.00 H new ATOM 0 HA THR A 148 5.302 3.673 0.704 1.00 0.00 H new ATOM 0 HB THR A 148 7.126 4.468 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 148 8.823 3.123 0.493 1.00 0.00 H new ATOM 0 HG21 THR A 148 9.162 5.468 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 148 7.744 6.481 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 148 8.425 5.425 1.968 1.00 0.00 H new ATOM 277 N GLU A 149 6.761 4.767 3.428 1.00 0.00 N ATOM 278 CA GLU A 149 6.944 4.474 4.840 1.00 0.00 C ATOM 279 C GLU A 149 5.677 4.827 5.623 1.00 0.00 C ATOM 280 O GLU A 149 5.639 4.683 6.844 1.00 0.00 O ATOM 281 CB GLU A 149 8.159 5.214 5.401 1.00 0.00 C ATOM 282 CG GLU A 149 7.932 6.727 5.393 1.00 0.00 C ATOM 283 CD GLU A 149 8.535 7.377 6.640 1.00 0.00 C ATOM 284 OE1 GLU A 149 9.759 7.209 6.832 1.00 0.00 O ATOM 285 OE2 GLU A 149 7.760 8.028 7.372 1.00 0.00 O ATOM 0 H GLU A 149 7.208 5.627 3.110 1.00 0.00 H new ATOM 0 HA GLU A 149 7.130 3.405 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 149 8.356 4.878 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 149 9.042 4.972 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 149 8.380 7.161 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 149 6.864 6.938 5.349 1.00 0.00 H new ATOM 290 N LYS A 150 4.672 5.281 4.888 1.00 0.00 N ATOM 291 CA LYS A 150 3.409 5.654 5.499 1.00 0.00 C ATOM 292 C LYS A 150 2.257 5.065 4.681 1.00 0.00 C ATOM 293 O LYS A 150 1.818 5.664 3.701 1.00 0.00 O ATOM 294 CB LYS A 150 3.325 7.172 5.673 1.00 0.00 C ATOM 295 CG LYS A 150 4.412 7.675 6.624 1.00 0.00 C ATOM 296 CD LYS A 150 5.105 8.917 6.058 1.00 0.00 C ATOM 297 CE LYS A 150 4.092 10.028 5.775 1.00 0.00 C ATOM 298 NZ LYS A 150 3.775 10.768 7.017 1.00 0.00 N ATOM 0 H LYS A 150 4.708 5.399 3.875 1.00 0.00 H new ATOM 0 HA LYS A 150 3.334 5.236 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 150 3.431 7.659 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.343 7.444 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 150 3.972 7.910 7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 150 5.147 6.888 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 150 5.854 9.274 6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 150 5.632 8.657 5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.494 10.713 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.181 9.600 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 3.086 11.519 6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 3.372 10.114 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 4.644 11.193 7.400 1.00 0.00 H new ATOM 308 N GLU A 151 1.802 3.899 5.114 1.00 0.00 N ATOM 309 CA GLU A 151 0.711 3.222 4.434 1.00 0.00 C ATOM 310 C GLU A 151 0.016 2.247 5.386 1.00 0.00 C ATOM 311 O GLU A 151 0.625 1.763 6.338 1.00 0.00 O ATOM 312 CB GLU A 151 1.210 2.501 3.179 1.00 0.00 C ATOM 313 CG GLU A 151 2.656 2.033 3.355 1.00 0.00 C ATOM 314 CD GLU A 151 2.883 1.468 4.758 1.00 0.00 C ATOM 315 OE1 GLU A 151 2.346 0.370 5.021 1.00 0.00 O ATOM 316 OE2 GLU A 151 3.589 2.145 5.535 1.00 0.00 O ATOM 0 H GLU A 151 2.169 3.405 5.928 1.00 0.00 H new ATOM 0 HA GLU A 151 -0.015 3.971 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 151 0.570 1.644 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 151 1.142 3.169 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 151 2.889 1.272 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 151 3.336 2.867 3.181 1.00 0.00 H new ATOM 321 N LYS A 152 -1.250 1.987 5.095 1.00 0.00 N ATOM 322 CA LYS A 152 -2.035 1.079 5.914 1.00 0.00 C ATOM 323 C LYS A 152 -2.637 -0.012 5.025 1.00 0.00 C ATOM 324 O LYS A 152 -3.493 0.268 4.187 1.00 0.00 O ATOM 325 CB LYS A 152 -3.075 1.853 6.727 1.00 0.00 C ATOM 326 CG LYS A 152 -2.725 1.843 8.217 1.00 0.00 C ATOM 327 CD LYS A 152 -3.096 3.173 8.876 1.00 0.00 C ATOM 328 CE LYS A 152 -2.169 3.479 10.054 1.00 0.00 C ATOM 329 NZ LYS A 152 -2.955 3.899 11.236 1.00 0.00 N ATOM 0 H LYS A 152 -1.752 2.389 4.303 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.399 0.580 6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -3.129 2.881 6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -4.060 1.411 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -3.252 1.028 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -1.659 1.656 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -3.034 3.976 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -4.129 3.136 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -1.578 2.596 10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -1.468 4.266 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -2.311 4.103 12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -3.500 4.754 11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -3.607 3.136 11.509 1.00 0.00 H new ATOM 339 N ASP A 153 -2.165 -1.231 5.238 1.00 0.00 N ATOM 340 CA ASP A 153 -2.645 -2.365 4.466 1.00 0.00 C ATOM 341 C ASP A 153 -3.781 -3.050 5.228 1.00 0.00 C ATOM 342 O ASP A 153 -3.647 -3.350 6.413 1.00 0.00 O ATOM 343 CB ASP A 153 -1.534 -3.394 4.249 1.00 0.00 C ATOM 344 CG ASP A 153 -1.739 -4.729 4.967 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.816 -5.327 4.756 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.815 -5.120 5.711 1.00 0.00 O ATOM 0 H ASP A 153 -1.455 -1.459 5.934 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.987 -1.995 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.440 -3.585 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.590 -2.962 4.580 1.00 0.00 H new ATOM 350 N LEU A 154 -4.875 -3.277 4.516 1.00 0.00 N ATOM 351 CA LEU A 154 -6.035 -3.920 5.110 1.00 0.00 C ATOM 352 C LEU A 154 -6.100 -5.376 4.643 1.00 0.00 C ATOM 353 O LEU A 154 -5.229 -5.834 3.904 1.00 0.00 O ATOM 354 CB LEU A 154 -7.304 -3.122 4.810 1.00 0.00 C ATOM 355 CG LEU A 154 -7.219 -2.142 3.638 1.00 0.00 C ATOM 356 CD1 LEU A 154 -6.206 -1.032 3.924 1.00 0.00 C ATOM 357 CD2 LEU A 154 -6.911 -2.876 2.332 1.00 0.00 C ATOM 0 H LEU A 154 -4.983 -3.027 3.533 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.946 -3.936 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.113 -3.825 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.579 -2.564 5.705 1.00 0.00 H new ATOM 0 HG LEU A 154 -8.192 -1.666 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.165 -0.349 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.509 -0.484 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.221 -1.471 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -6.856 -2.157 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -5.957 -3.396 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.700 -3.599 2.126 1.00 0.00 H new ATOM 368 N ARG A 155 -7.139 -6.063 5.093 1.00 0.00 N ATOM 369 CA ARG A 155 -7.329 -7.457 4.730 1.00 0.00 C ATOM 370 C ARG A 155 -7.218 -7.631 3.215 1.00 0.00 C ATOM 371 O ARG A 155 -6.957 -8.731 2.729 1.00 0.00 O ATOM 372 CB ARG A 155 -8.694 -7.967 5.197 1.00 0.00 C ATOM 373 CG ARG A 155 -9.820 -7.069 4.681 1.00 0.00 C ATOM 374 CD ARG A 155 -10.229 -6.040 5.736 1.00 0.00 C ATOM 375 NE ARG A 155 -10.218 -4.682 5.149 1.00 0.00 N ATOM 376 CZ ARG A 155 -10.259 -3.552 5.870 1.00 0.00 C ATOM 377 NH1 ARG A 155 -10.315 -3.611 7.207 1.00 0.00 N ATOM 378 NH2 ARG A 155 -10.245 -2.363 5.252 1.00 0.00 N ATOM 0 H ARG A 155 -7.859 -5.680 5.706 1.00 0.00 H new ATOM 0 HA ARG A 155 -6.549 -8.037 5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -8.846 -8.987 4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -8.721 -8.000 6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.495 -6.557 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -10.682 -7.679 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -11.224 -6.273 6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -9.545 -6.084 6.584 1.00 0.00 H new ATOM 0 HE ARG A 155 -10.177 -4.600 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -10.326 -4.516 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -10.346 -2.751 7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -10.203 -2.318 4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -10.276 -1.503 5.800 1.00 0.00 H new ATOM 389 N ASP A 156 -7.422 -6.529 2.508 1.00 0.00 N ATOM 390 CA ASP A 156 -7.349 -6.545 1.057 1.00 0.00 C ATOM 391 C ASP A 156 -5.881 -6.543 0.625 1.00 0.00 C ATOM 392 O ASP A 156 -5.578 -6.364 -0.554 1.00 0.00 O ATOM 393 CB ASP A 156 -8.020 -5.308 0.457 1.00 0.00 C ATOM 394 CG ASP A 156 -8.653 -5.519 -0.919 1.00 0.00 C ATOM 395 OD1 ASP A 156 -8.434 -6.612 -1.484 1.00 0.00 O ATOM 396 OD2 ASP A 156 -9.343 -4.582 -1.377 1.00 0.00 O ATOM 0 H ASP A 156 -7.638 -5.618 2.914 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.862 -7.440 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -8.791 -4.961 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.279 -4.512 0.381 1.00 0.00 H new ATOM 400 N VAL A 157 -5.009 -6.744 1.602 1.00 0.00 N ATOM 401 CA VAL A 157 -3.580 -6.767 1.337 1.00 0.00 C ATOM 402 C VAL A 157 -3.330 -7.415 -0.025 1.00 0.00 C ATOM 403 O VAL A 157 -3.028 -6.726 -0.999 1.00 0.00 O ATOM 404 CB VAL A 157 -2.849 -7.475 2.479 1.00 0.00 C ATOM 405 CG1 VAL A 157 -3.796 -8.395 3.251 1.00 0.00 C ATOM 406 CG2 VAL A 157 -1.636 -8.248 1.958 1.00 0.00 C ATOM 0 H VAL A 157 -5.264 -6.892 2.578 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.182 -5.753 1.293 1.00 0.00 H new ATOM 0 HB VAL A 157 -2.489 -6.712 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -3.250 -8.885 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -4.612 -7.807 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -4.201 -9.149 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -1.134 -8.742 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -1.964 -8.996 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -0.944 -7.557 1.476 1.00 0.00 H new ATOM 416 N GLY A 158 -3.463 -8.733 -0.053 1.00 0.00 N ATOM 417 CA GLY A 158 -3.254 -9.481 -1.280 1.00 0.00 C ATOM 418 C GLY A 158 -2.025 -8.969 -2.033 1.00 0.00 C ATOM 419 O GLY A 158 -0.966 -8.772 -1.439 1.00 0.00 O ATOM 0 H GLY A 158 -3.713 -9.302 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.128 -10.539 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -4.135 -9.397 -1.916 1.00 0.00 H new ATOM 423 N ASP A 159 -2.207 -8.766 -3.329 1.00 0.00 N ATOM 424 CA ASP A 159 -1.126 -8.279 -4.170 1.00 0.00 C ATOM 425 C ASP A 159 -0.835 -6.818 -3.823 1.00 0.00 C ATOM 426 O ASP A 159 0.322 -6.436 -3.648 1.00 0.00 O ATOM 427 CB ASP A 159 -1.506 -8.347 -5.650 1.00 0.00 C ATOM 428 CG ASP A 159 -2.159 -9.658 -6.092 1.00 0.00 C ATOM 429 OD1 ASP A 159 -1.852 -10.688 -5.452 1.00 0.00 O ATOM 430 OD2 ASP A 159 -2.950 -9.602 -7.057 1.00 0.00 O ATOM 0 H ASP A 159 -3.087 -8.930 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.252 -8.906 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -2.188 -7.526 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.609 -8.186 -6.247 1.00 0.00 H new ATOM 434 N TRP A 160 -1.903 -6.040 -3.732 1.00 0.00 N ATOM 435 CA TRP A 160 -1.777 -4.629 -3.410 1.00 0.00 C ATOM 436 C TRP A 160 -0.668 -4.480 -2.366 1.00 0.00 C ATOM 437 O TRP A 160 0.272 -3.710 -2.557 1.00 0.00 O ATOM 438 CB TRP A 160 -3.115 -4.050 -2.948 1.00 0.00 C ATOM 439 CG TRP A 160 -3.083 -3.458 -1.536 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.506 -4.022 -0.396 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.582 -2.158 -1.160 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.315 -3.183 0.683 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.735 -2.014 0.203 1.00 0.00 C ATOM 444 CE3 TRP A 160 -2.019 -1.138 -1.946 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.350 -0.863 0.900 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.638 0.006 -1.235 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.786 0.167 0.138 1.00 0.00 C ATOM 0 H TRP A 160 -2.861 -6.360 -3.876 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.502 -4.054 -4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.425 -3.275 -3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.871 -4.834 -2.985 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -3.941 -5.008 -0.330 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -3.555 -3.384 1.654 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.890 -1.230 -3.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.481 -0.774 1.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -1.198 0.820 -1.792 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.467 1.082 0.614 1.00 0.00 H new ATOM 457 N ARG A 161 -0.815 -5.231 -1.283 1.00 0.00 N ATOM 458 CA ARG A 161 0.162 -5.192 -0.209 1.00 0.00 C ATOM 459 C ARG A 161 1.527 -5.663 -0.715 1.00 0.00 C ATOM 460 O ARG A 161 2.475 -4.882 -0.773 1.00 0.00 O ATOM 461 CB ARG A 161 -0.273 -6.076 0.963 1.00 0.00 C ATOM 462 CG ARG A 161 0.242 -5.518 2.291 1.00 0.00 C ATOM 463 CD ARG A 161 1.141 -6.532 3.001 1.00 0.00 C ATOM 464 NE ARG A 161 2.233 -5.830 3.712 1.00 0.00 N ATOM 465 CZ ARG A 161 2.857 -6.313 4.795 1.00 0.00 C ATOM 466 NH1 ARG A 161 2.500 -7.502 5.299 1.00 0.00 N ATOM 467 NH2 ARG A 161 3.837 -5.607 5.374 1.00 0.00 N ATOM 0 H ARG A 161 -1.595 -5.869 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 161 0.235 -4.160 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.361 -6.142 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 161 0.104 -7.088 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 161 0.797 -4.597 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -0.601 -5.262 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 161 0.554 -7.119 3.708 1.00 0.00 H new ATOM 0 HD3 ARG A 161 1.558 -7.231 2.276 1.00 0.00 H new ATOM 0 HE ARG A 161 2.529 -4.921 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 161 1.753 -8.039 4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 161 2.975 -7.870 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 161 4.108 -4.702 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 161 4.312 -5.975 6.198 1.00 0.00 H new ATOM 478 N LYS A 162 1.584 -6.939 -1.068 1.00 0.00 N ATOM 479 CA LYS A 162 2.816 -7.523 -1.567 1.00 0.00 C ATOM 480 C LYS A 162 3.706 -6.416 -2.136 1.00 0.00 C ATOM 481 O LYS A 162 4.870 -6.292 -1.754 1.00 0.00 O ATOM 482 CB LYS A 162 2.514 -8.642 -2.566 1.00 0.00 C ATOM 483 CG LYS A 162 3.702 -8.880 -3.501 1.00 0.00 C ATOM 484 CD LYS A 162 4.798 -9.686 -2.800 1.00 0.00 C ATOM 485 CE LYS A 162 4.536 -11.189 -2.923 1.00 0.00 C ATOM 486 NZ LYS A 162 5.797 -11.912 -3.201 1.00 0.00 N ATOM 0 H LYS A 162 0.796 -7.585 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 162 3.370 -7.993 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.281 -9.561 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 162 1.632 -8.383 -3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 162 3.368 -9.412 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.105 -7.923 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 162 5.767 -9.445 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.844 -9.406 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 162 4.090 -11.563 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 162 3.819 -11.375 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 5.603 -12.930 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.206 -11.566 -4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 6.469 -11.748 -2.425 1.00 0.00 H new ATOM 496 N ASN A 163 3.127 -5.640 -3.039 1.00 0.00 N ATOM 497 CA ASN A 163 3.853 -4.547 -3.664 1.00 0.00 C ATOM 498 C ASN A 163 4.281 -3.545 -2.590 1.00 0.00 C ATOM 499 O ASN A 163 5.473 -3.363 -2.347 1.00 0.00 O ATOM 500 CB ASN A 163 2.974 -3.810 -4.676 1.00 0.00 C ATOM 501 CG ASN A 163 2.828 -4.617 -5.967 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.783 -5.151 -6.508 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.584 -4.676 -6.431 1.00 0.00 N ATOM 0 H ASN A 163 2.163 -5.746 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 163 4.719 -4.966 -4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.990 -3.628 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 163 3.409 -2.836 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 163 1.383 -5.191 -7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.830 -4.207 -5.930 1.00 0.00 H new ATOM 509 N ILE A 164 3.286 -2.922 -1.978 1.00 0.00 N ATOM 510 CA ILE A 164 3.544 -1.943 -0.936 1.00 0.00 C ATOM 511 C ILE A 164 3.841 -2.668 0.378 1.00 0.00 C ATOM 512 O ILE A 164 3.646 -2.112 1.458 1.00 0.00 O ATOM 513 CB ILE A 164 2.389 -0.946 -0.838 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.105 -1.637 -0.373 1.00 0.00 C ATOM 515 CG2 ILE A 164 2.193 -0.202 -2.162 1.00 0.00 C ATOM 516 CD1 ILE A 164 1.095 -1.811 1.146 1.00 0.00 C ATOM 0 H ILE A 164 2.299 -3.076 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 164 4.426 -1.351 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 164 2.644 -0.201 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.240 -1.050 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 164 1.017 -2.611 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 164 1.366 0.501 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 164 3.104 0.342 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.970 -0.919 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.172 -2.304 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 164 1.948 -2.419 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 164 1.158 -0.834 1.625 1.00 0.00 H new ATOM 527 N GLU A 165 4.309 -3.902 0.244 1.00 0.00 N ATOM 528 CA GLU A 165 4.634 -4.710 1.406 1.00 0.00 C ATOM 529 C GLU A 165 6.146 -4.933 1.491 1.00 0.00 C ATOM 530 O GLU A 165 6.725 -4.885 2.575 1.00 0.00 O ATOM 531 CB GLU A 165 3.885 -6.043 1.375 1.00 0.00 C ATOM 532 CG GLU A 165 4.368 -6.970 2.493 1.00 0.00 C ATOM 533 CD GLU A 165 5.457 -7.918 1.987 1.00 0.00 C ATOM 534 OE1 GLU A 165 5.605 -8.001 0.747 1.00 0.00 O ATOM 535 OE2 GLU A 165 6.117 -8.536 2.848 1.00 0.00 O ATOM 0 H GLU A 165 4.470 -4.361 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 165 4.314 -4.172 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 165 2.815 -5.865 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.033 -6.525 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 165 4.754 -6.376 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 165 3.528 -7.548 2.879 1.00 0.00 H new ATOM 540 N GLU A 166 6.743 -5.171 0.332 1.00 0.00 N ATOM 541 CA GLU A 166 8.175 -5.402 0.263 1.00 0.00 C ATOM 542 C GLU A 166 8.884 -4.170 -0.305 1.00 0.00 C ATOM 543 O GLU A 166 9.999 -3.848 0.103 1.00 0.00 O ATOM 544 CB GLU A 166 8.490 -6.647 -0.569 1.00 0.00 C ATOM 545 CG GLU A 166 8.188 -7.923 0.218 1.00 0.00 C ATOM 546 CD GLU A 166 9.460 -8.743 0.444 1.00 0.00 C ATOM 547 OE1 GLU A 166 10.087 -9.111 -0.573 1.00 0.00 O ATOM 548 OE2 GLU A 166 9.778 -8.982 1.629 1.00 0.00 O ATOM 0 H GLU A 166 6.261 -5.209 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 166 8.544 -5.577 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.902 -6.634 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 166 9.540 -6.636 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.742 -7.665 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.456 -8.523 -0.322 1.00 0.00 H new ATOM 553 N LYS A 167 8.208 -3.515 -1.237 1.00 0.00 N ATOM 554 CA LYS A 167 8.759 -2.325 -1.865 1.00 0.00 C ATOM 555 C LYS A 167 8.336 -1.091 -1.066 1.00 0.00 C ATOM 556 O LYS A 167 8.797 0.016 -1.338 1.00 0.00 O ATOM 557 CB LYS A 167 8.363 -2.268 -3.342 1.00 0.00 C ATOM 558 CG LYS A 167 6.985 -1.629 -3.516 1.00 0.00 C ATOM 559 CD LYS A 167 7.081 -0.324 -4.310 1.00 0.00 C ATOM 560 CE LYS A 167 6.205 0.764 -3.685 1.00 0.00 C ATOM 561 NZ LYS A 167 5.874 1.802 -4.688 1.00 0.00 N ATOM 0 H LYS A 167 7.284 -3.785 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 167 9.848 -2.355 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 167 9.106 -1.697 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 167 8.356 -3.275 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 167 6.321 -2.323 -4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.545 -1.432 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 167 8.118 0.012 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 167 6.772 -0.498 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 167 5.289 0.322 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 167 6.725 1.218 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 5.279 2.533 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 6.751 2.236 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 5.359 1.368 -5.480 1.00 0.00 H new ATOM 571 N SER A 168 7.463 -1.323 -0.098 1.00 0.00 N ATOM 572 CA SER A 168 6.974 -0.243 0.742 1.00 0.00 C ATOM 573 C SER A 168 6.904 -0.704 2.200 1.00 0.00 C ATOM 574 O SER A 168 5.817 -0.910 2.738 1.00 0.00 O ATOM 575 CB SER A 168 5.600 0.240 0.273 1.00 0.00 C ATOM 576 OG SER A 168 5.572 0.488 -1.130 1.00 0.00 O ATOM 0 H SER A 168 7.081 -2.243 0.124 1.00 0.00 H new ATOM 0 HA SER A 168 7.670 0.592 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 168 4.848 -0.508 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.334 1.152 0.808 1.00 0.00 H new ATOM 0 HG SER A 168 4.924 1.197 -1.324 1.00 0.00 H new ATOM 581 N GLY A 169 8.078 -0.850 2.797 1.00 0.00 N ATOM 582 CA GLY A 169 8.163 -1.283 4.182 1.00 0.00 C ATOM 583 C GLY A 169 9.605 -1.210 4.690 1.00 0.00 C ATOM 584 O GLY A 169 9.892 -0.500 5.652 1.00 0.00 O ATOM 0 H GLY A 169 8.977 -0.676 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.522 -0.657 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 169 7.793 -2.304 4.271 1.00 0.00 H new