USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=5 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 :FLIP amide:sc= -2.11! C(o=-2.7!,f=-2.1!) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -1.51! C(o=-1.5!,f=-6.3!) USER MOD Single : A 142 GLN : amide:sc= -1.95 K(o=-1.9,f=-3.9!) USER MOD Single : A 144 LYS NZ :NH3+ 151:sc= 0.663 (180deg=-0.095) USER MOD Single : A 145 LYS NZ :NH3+ 176:sc= -0.969 (180deg=-1.05) 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= -0.143 X(o=-0.14,f=-0.1) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -160:sc= -1.44 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -20.483 3.724 11.131 1.00 0.00 N ATOM 20 CA VAL A 132 -20.038 4.924 10.444 1.00 0.00 C ATOM 21 C VAL A 132 -18.589 5.221 10.833 1.00 0.00 C ATOM 22 O VAL A 132 -17.690 5.148 9.996 1.00 0.00 O ATOM 23 CB VAL A 132 -20.988 6.085 10.747 1.00 0.00 C ATOM 24 CG1 VAL A 132 -20.428 7.405 10.216 1.00 0.00 C ATOM 25 CG2 VAL A 132 -22.383 5.813 10.181 1.00 0.00 C ATOM 0 HA VAL A 132 -20.062 4.776 9.364 1.00 0.00 H new ATOM 0 HB VAL A 132 -21.077 6.172 11.830 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -21.123 8.213 10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -19.467 7.608 10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -20.295 7.336 9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -23.039 6.653 10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -22.319 5.687 9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -22.787 4.905 10.629 1.00 0.00 H new ATOM 35 N ASN A 133 -18.405 5.551 12.103 1.00 0.00 N ATOM 36 CA ASN A 133 -17.080 5.859 12.613 1.00 0.00 C ATOM 37 C ASN A 133 -16.057 4.931 11.956 1.00 0.00 C ATOM 38 O ASN A 133 -15.028 5.387 11.460 1.00 0.00 O ATOM 39 CB ASN A 133 -17.009 5.646 14.127 1.00 0.00 C ATOM 40 CG ASN A 133 -17.212 4.172 14.483 1.00 0.00 C ATOM 41 OD1 ASN A 133 -18.475 3.764 14.396 1.00 0.00 O flip ATOM 42 ND2 ASN A 133 -16.284 3.453 14.815 1.00 0.00 N flip ATOM 0 H ASN A 133 -19.152 5.612 12.794 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.865 6.903 12.386 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -16.043 5.984 14.501 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -17.771 6.251 14.619 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -15.338 3.831 14.861 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -16.455 2.474 15.046 1.00 0.00 H new ATOM 48 N MET A 134 -16.375 3.645 11.973 1.00 0.00 N ATOM 49 CA MET A 134 -15.496 2.648 11.386 1.00 0.00 C ATOM 50 C MET A 134 -15.477 2.765 9.860 1.00 0.00 C ATOM 51 O MET A 134 -14.425 2.635 9.237 1.00 0.00 O ATOM 52 CB MET A 134 -15.970 1.250 11.785 1.00 0.00 C ATOM 53 CG MET A 134 -17.391 0.988 11.282 1.00 0.00 C ATOM 54 SD MET A 134 -17.337 0.237 9.663 1.00 0.00 S ATOM 55 CE MET A 134 -17.409 -1.487 10.118 1.00 0.00 C ATOM 0 H MET A 134 -17.230 3.270 12.384 1.00 0.00 H new ATOM 0 HA MET A 134 -14.486 2.818 11.758 1.00 0.00 H new ATOM 0 HB2 MET A 134 -15.292 0.502 11.375 1.00 0.00 H new ATOM 0 HB3 MET A 134 -15.940 1.148 12.870 1.00 0.00 H new ATOM 0 HG2 MET A 134 -17.917 0.334 11.978 1.00 0.00 H new ATOM 0 HG3 MET A 134 -17.949 1.923 11.240 1.00 0.00 H new ATOM 0 HE1 MET A 134 -17.385 -2.102 9.218 1.00 0.00 H new ATOM 0 HE2 MET A 134 -16.555 -1.733 10.749 1.00 0.00 H new ATOM 0 HE3 MET A 134 -18.332 -1.681 10.665 1.00 0.00 H new ATOM 63 N ASP A 135 -16.655 3.009 9.303 1.00 0.00 N ATOM 64 CA ASP A 135 -16.787 3.145 7.862 1.00 0.00 C ATOM 65 C ASP A 135 -15.840 4.241 7.368 1.00 0.00 C ATOM 66 O ASP A 135 -15.267 4.130 6.286 1.00 0.00 O ATOM 67 CB ASP A 135 -18.212 3.543 7.476 1.00 0.00 C ATOM 68 CG ASP A 135 -18.377 4.043 6.039 1.00 0.00 C ATOM 69 OD1 ASP A 135 -18.107 3.236 5.124 1.00 0.00 O ATOM 70 OD2 ASP A 135 -18.769 5.220 5.888 1.00 0.00 O ATOM 0 H ASP A 135 -17.526 3.116 9.823 1.00 0.00 H new ATOM 0 HA ASP A 135 -16.545 2.184 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -18.866 2.683 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -18.553 4.323 8.157 1.00 0.00 H new ATOM 74 N LEU A 136 -15.703 5.274 8.187 1.00 0.00 N ATOM 75 CA LEU A 136 -14.836 6.389 7.847 1.00 0.00 C ATOM 76 C LEU A 136 -13.376 5.959 8.006 1.00 0.00 C ATOM 77 O LEU A 136 -12.559 6.180 7.112 1.00 0.00 O ATOM 78 CB LEU A 136 -15.205 7.626 8.667 1.00 0.00 C ATOM 79 CG LEU A 136 -14.433 8.905 8.338 1.00 0.00 C ATOM 80 CD1 LEU A 136 -15.365 9.982 7.783 1.00 0.00 C ATOM 81 CD2 LEU A 136 -13.647 9.398 9.555 1.00 0.00 C ATOM 0 H LEU A 136 -16.178 5.362 9.085 1.00 0.00 H new ATOM 0 HA LEU A 136 -14.974 6.675 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -16.269 7.823 8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -15.055 7.396 9.722 1.00 0.00 H new ATOM 0 HG LEU A 136 -13.708 8.675 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -14.790 10.880 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -15.840 9.618 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -16.130 10.217 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -13.107 10.308 9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -14.336 9.606 10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -12.937 8.631 9.865 1.00 0.00 H new ATOM 92 N ARG A 137 -13.091 5.354 9.150 1.00 0.00 N ATOM 93 CA ARG A 137 -11.744 4.892 9.437 1.00 0.00 C ATOM 94 C ARG A 137 -11.186 4.109 8.247 1.00 0.00 C ATOM 95 O ARG A 137 -10.166 4.487 7.673 1.00 0.00 O ATOM 96 CB ARG A 137 -11.721 4.001 10.681 1.00 0.00 C ATOM 97 CG ARG A 137 -12.259 4.750 11.901 1.00 0.00 C ATOM 98 CD ARG A 137 -11.305 4.620 13.089 1.00 0.00 C ATOM 99 NE ARG A 137 -11.759 5.485 14.202 1.00 0.00 N ATOM 100 CZ ARG A 137 -11.548 6.807 14.260 1.00 0.00 C ATOM 101 NH1 ARG A 137 -10.888 7.424 13.270 1.00 0.00 N ATOM 102 NH2 ARG A 137 -11.996 7.511 15.307 1.00 0.00 N ATOM 0 H ARG A 137 -13.770 5.173 9.889 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.125 5.770 9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.321 3.108 10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -10.702 3.667 10.875 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -12.397 5.803 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.238 4.355 12.172 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -11.262 3.582 13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.296 4.901 12.788 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.264 5.047 14.973 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.547 6.887 12.473 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -10.727 8.430 13.314 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -12.498 7.041 16.060 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -11.835 8.517 15.351 1.00 0.00 H new ATOM 113 N ALA A 138 -11.881 3.032 7.910 1.00 0.00 N ATOM 114 CA ALA A 138 -11.468 2.192 6.799 1.00 0.00 C ATOM 115 C ALA A 138 -11.431 3.029 5.518 1.00 0.00 C ATOM 116 O ALA A 138 -10.426 3.044 4.810 1.00 0.00 O ATOM 117 CB ALA A 138 -12.412 0.994 6.685 1.00 0.00 C ATOM 0 H ALA A 138 -12.728 2.722 8.387 1.00 0.00 H new ATOM 0 HA ALA A 138 -10.464 1.801 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -12.102 0.364 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -12.379 0.416 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -13.429 1.347 6.514 1.00 0.00 H new ATOM 123 N ASN A 139 -12.541 3.705 5.260 1.00 0.00 N ATOM 124 CA ASN A 139 -12.649 4.544 4.078 1.00 0.00 C ATOM 125 C ASN A 139 -11.315 5.253 3.837 1.00 0.00 C ATOM 126 O ASN A 139 -10.603 4.937 2.886 1.00 0.00 O ATOM 127 CB ASN A 139 -13.727 5.613 4.257 1.00 0.00 C ATOM 128 CG ASN A 139 -13.812 6.519 3.027 1.00 0.00 C ATOM 129 OD1 ASN A 139 -12.863 6.680 2.277 1.00 0.00 O ATOM 130 ND2 ASN A 139 -14.996 7.101 2.864 1.00 0.00 N ATOM 0 H ASN A 139 -13.374 3.689 5.849 1.00 0.00 H new ATOM 0 HA ASN A 139 -12.912 3.905 3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -14.692 5.136 4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -13.506 6.213 5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -15.153 7.726 2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -15.748 6.923 3.530 1.00 0.00 H new ATOM 136 N LEU A 140 -11.018 6.198 4.716 1.00 0.00 N ATOM 137 CA LEU A 140 -9.781 6.955 4.610 1.00 0.00 C ATOM 138 C LEU A 140 -8.599 5.987 4.547 1.00 0.00 C ATOM 139 O LEU A 140 -7.591 6.274 3.904 1.00 0.00 O ATOM 140 CB LEU A 140 -9.680 7.976 5.746 1.00 0.00 C ATOM 141 CG LEU A 140 -10.562 9.219 5.611 1.00 0.00 C ATOM 142 CD1 LEU A 140 -10.919 9.789 6.986 1.00 0.00 C ATOM 143 CD2 LEU A 140 -9.904 10.265 4.710 1.00 0.00 C ATOM 0 H LEU A 140 -11.611 6.457 5.504 1.00 0.00 H new ATOM 0 HA LEU A 140 -9.767 7.535 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.932 7.476 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.642 8.298 5.827 1.00 0.00 H new ATOM 0 HG LEU A 140 -11.495 8.925 5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -11.546 10.672 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -11.459 9.038 7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -10.006 10.064 7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -10.553 11.138 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.946 10.562 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -9.744 9.842 3.718 1.00 0.00 H new ATOM 172 N GLN A 142 -8.152 1.669 4.313 1.00 0.00 N ATOM 173 CA GLN A 142 -8.321 0.688 3.254 1.00 0.00 C ATOM 174 C GLN A 142 -7.358 0.980 2.102 1.00 0.00 C ATOM 175 O GLN A 142 -7.684 1.742 1.193 1.00 0.00 O ATOM 176 CB GLN A 142 -9.769 0.657 2.764 1.00 0.00 C ATOM 177 CG GLN A 142 -10.168 1.998 2.144 1.00 0.00 C ATOM 178 CD GLN A 142 -11.688 2.107 2.003 1.00 0.00 C ATOM 179 OE1 GLN A 142 -12.446 1.767 2.896 1.00 0.00 O ATOM 180 NE2 GLN A 142 -12.089 2.597 0.833 1.00 0.00 N ATOM 0 HA GLN A 142 -8.086 -0.298 3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -9.891 -0.138 2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -10.433 0.425 3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -9.797 2.814 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -9.700 2.104 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -11.401 2.862 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -13.085 2.707 0.641 1.00 0.00 H new ATOM 187 N VAL A 143 -6.190 0.358 2.177 1.00 0.00 N ATOM 188 CA VAL A 143 -5.178 0.541 1.152 1.00 0.00 C ATOM 189 C VAL A 143 -4.908 2.036 0.968 1.00 0.00 C ATOM 190 O VAL A 143 -5.400 2.647 0.021 1.00 0.00 O ATOM 191 CB VAL A 143 -5.612 -0.152 -0.142 1.00 0.00 C ATOM 192 CG1 VAL A 143 -4.711 0.255 -1.311 1.00 0.00 C ATOM 193 CG2 VAL A 143 -5.634 -1.671 0.031 1.00 0.00 C ATOM 0 H VAL A 143 -5.923 -0.273 2.932 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.240 0.076 1.455 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.626 0.173 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -5.041 -0.251 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -4.768 1.334 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -3.681 -0.027 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -5.946 -2.139 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -4.637 -2.021 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.335 -1.937 0.822 1.00 0.00 H new ATOM 203 N LYS A 144 -4.128 2.582 1.889 1.00 0.00 N ATOM 204 CA LYS A 144 -3.787 3.993 1.839 1.00 0.00 C ATOM 205 C LYS A 144 -2.265 4.145 1.794 1.00 0.00 C ATOM 206 O LYS A 144 -1.614 4.215 2.835 1.00 0.00 O ATOM 207 CB LYS A 144 -4.445 4.744 2.999 1.00 0.00 C ATOM 208 CG LYS A 144 -4.008 4.164 4.346 1.00 0.00 C ATOM 209 CD LYS A 144 -3.568 5.274 5.303 1.00 0.00 C ATOM 210 CE LYS A 144 -2.047 5.440 5.290 1.00 0.00 C ATOM 211 NZ LYS A 144 -1.648 6.487 4.322 1.00 0.00 N ATOM 0 H LYS A 144 -3.722 2.073 2.674 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.180 4.448 0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -4.179 5.800 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -5.529 4.683 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.831 3.602 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.188 3.462 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.042 6.213 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -3.903 5.041 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -1.696 5.705 6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.574 4.494 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -0.764 6.934 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -1.503 6.057 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -2.397 7.206 4.260 1.00 0.00 H new ATOM 221 N LYS A 145 -1.743 4.191 0.578 1.00 0.00 N ATOM 222 CA LYS A 145 -0.311 4.333 0.382 1.00 0.00 C ATOM 223 C LYS A 145 -0.002 5.761 -0.074 1.00 0.00 C ATOM 224 O LYS A 145 -0.874 6.451 -0.599 1.00 0.00 O ATOM 225 CB LYS A 145 0.210 3.257 -0.571 1.00 0.00 C ATOM 226 CG LYS A 145 1.470 2.591 -0.012 1.00 0.00 C ATOM 227 CD LYS A 145 2.609 2.631 -1.033 1.00 0.00 C ATOM 228 CE LYS A 145 3.446 3.902 -0.870 1.00 0.00 C ATOM 229 NZ LYS A 145 3.027 4.927 -1.850 1.00 0.00 N ATOM 0 H LYS A 145 -2.287 4.132 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 145 0.219 4.176 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -0.562 2.505 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 145 0.430 3.702 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 145 1.778 3.098 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 145 1.252 1.557 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 145 3.245 1.754 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 145 2.199 2.588 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.334 4.291 0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 145 4.502 3.669 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 3.558 5.806 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 3.219 4.585 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 2.009 5.112 -1.745 1.00 0.00 H new ATOM 239 N GLU A 146 1.243 6.161 0.144 1.00 0.00 N ATOM 240 CA GLU A 146 1.678 7.494 -0.237 1.00 0.00 C ATOM 241 C GLU A 146 3.179 7.653 0.008 1.00 0.00 C ATOM 242 O GLU A 146 3.869 8.328 -0.756 1.00 0.00 O ATOM 243 CB GLU A 146 0.883 8.566 0.511 1.00 0.00 C ATOM 244 CG GLU A 146 1.659 9.883 0.569 1.00 0.00 C ATOM 245 CD GLU A 146 0.707 11.077 0.669 1.00 0.00 C ATOM 246 OE1 GLU A 146 0.348 11.421 1.816 1.00 0.00 O ATOM 247 OE2 GLU A 146 0.359 11.617 -0.403 1.00 0.00 O ATOM 0 H GLU A 146 1.964 5.585 0.579 1.00 0.00 H new ATOM 0 HA GLU A 146 1.488 7.626 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -0.075 8.726 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.665 8.223 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 146 2.331 9.876 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 146 2.280 9.982 -0.321 1.00 0.00 H new ATOM 252 N ASP A 147 3.643 7.020 1.075 1.00 0.00 N ATOM 253 CA ASP A 147 5.049 7.083 1.431 1.00 0.00 C ATOM 254 C ASP A 147 5.383 5.932 2.382 1.00 0.00 C ATOM 255 O ASP A 147 4.495 5.385 3.035 1.00 0.00 O ATOM 256 CB ASP A 147 5.380 8.396 2.145 1.00 0.00 C ATOM 257 CG ASP A 147 5.363 9.638 1.252 1.00 0.00 C ATOM 258 OD1 ASP A 147 6.057 9.600 0.213 1.00 0.00 O ATOM 259 OD2 ASP A 147 4.657 10.598 1.629 1.00 0.00 O ATOM 0 H ASP A 147 3.069 6.460 1.705 1.00 0.00 H new ATOM 0 HA ASP A 147 5.631 7.015 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 147 4.667 8.541 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 147 6.367 8.307 2.599 1.00 0.00 H new ATOM 263 N THR A 148 6.664 5.597 2.430 1.00 0.00 N ATOM 264 CA THR A 148 7.126 4.521 3.290 1.00 0.00 C ATOM 265 C THR A 148 6.355 4.527 4.611 1.00 0.00 C ATOM 266 O THR A 148 5.951 3.474 5.104 1.00 0.00 O ATOM 267 CB THR A 148 8.638 4.673 3.467 1.00 0.00 C ATOM 268 OG1 THR A 148 8.925 3.929 4.648 1.00 0.00 O ATOM 269 CG2 THR A 148 9.045 6.104 3.822 1.00 0.00 C ATOM 0 H THR A 148 7.397 6.052 1.886 1.00 0.00 H new ATOM 0 HA THR A 148 6.934 3.546 2.842 1.00 0.00 H new ATOM 0 HB THR A 148 9.143 4.368 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 148 9.886 3.972 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 148 10.128 6.157 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 148 8.731 6.780 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 148 8.567 6.397 4.757 1.00 0.00 H new ATOM 277 N GLU A 149 6.175 5.724 5.149 1.00 0.00 N ATOM 278 CA GLU A 149 5.460 5.881 6.404 1.00 0.00 C ATOM 279 C GLU A 149 3.950 5.882 6.158 1.00 0.00 C ATOM 280 O GLU A 149 3.186 5.342 6.958 1.00 0.00 O ATOM 281 CB GLU A 149 5.897 7.156 7.129 1.00 0.00 C ATOM 282 CG GLU A 149 7.064 6.873 8.077 1.00 0.00 C ATOM 283 CD GLU A 149 6.568 6.279 9.397 1.00 0.00 C ATOM 284 OE1 GLU A 149 5.655 5.428 9.328 1.00 0.00 O ATOM 285 OE2 GLU A 149 7.112 6.690 10.445 1.00 0.00 O ATOM 0 H GLU A 149 6.512 6.595 4.739 1.00 0.00 H new ATOM 0 HA GLU A 149 5.704 5.035 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 149 6.191 7.911 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 149 5.058 7.565 7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 149 7.762 6.183 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 149 7.610 7.796 8.272 1.00 0.00 H new ATOM 290 N LYS A 150 3.563 6.492 5.048 1.00 0.00 N ATOM 291 CA LYS A 150 2.158 6.571 4.687 1.00 0.00 C ATOM 292 C LYS A 150 1.777 5.335 3.867 1.00 0.00 C ATOM 293 O LYS A 150 1.827 5.361 2.639 1.00 0.00 O ATOM 294 CB LYS A 150 1.858 7.893 3.978 1.00 0.00 C ATOM 295 CG LYS A 150 1.811 9.051 4.978 1.00 0.00 C ATOM 296 CD LYS A 150 3.214 9.406 5.473 1.00 0.00 C ATOM 297 CE LYS A 150 3.547 10.869 5.174 1.00 0.00 C ATOM 298 NZ LYS A 150 2.743 11.769 6.030 1.00 0.00 N ATOM 0 H LYS A 150 4.199 6.937 4.386 1.00 0.00 H new ATOM 0 HA LYS A 150 1.535 6.568 5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.622 8.088 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 150 0.905 7.821 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.356 9.923 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 150 1.181 8.779 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 150 3.281 9.226 6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.947 8.757 4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.609 11.048 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.351 11.085 4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 2.981 12.758 5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 1.732 11.609 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 2.950 11.573 7.030 1.00 0.00 H new ATOM 308 N GLU A 151 1.406 4.282 4.582 1.00 0.00 N ATOM 309 CA GLU A 151 1.017 3.040 3.936 1.00 0.00 C ATOM 310 C GLU A 151 0.238 2.156 4.913 1.00 0.00 C ATOM 311 O GLU A 151 0.814 1.596 5.844 1.00 0.00 O ATOM 312 CB GLU A 151 2.239 2.302 3.386 1.00 0.00 C ATOM 313 CG GLU A 151 1.819 1.082 2.564 1.00 0.00 C ATOM 314 CD GLU A 151 1.858 -0.190 3.411 1.00 0.00 C ATOM 315 OE1 GLU A 151 2.881 -0.380 4.103 1.00 0.00 O ATOM 316 OE2 GLU A 151 0.862 -0.944 3.350 1.00 0.00 O ATOM 0 H GLU A 151 1.367 4.264 5.601 1.00 0.00 H new ATOM 0 HA GLU A 151 0.368 3.279 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 151 2.828 2.978 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 151 2.879 1.987 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 151 0.813 1.232 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 151 2.482 0.972 1.706 1.00 0.00 H new ATOM 321 N LYS A 152 -1.060 2.059 4.666 1.00 0.00 N ATOM 322 CA LYS A 152 -1.925 1.253 5.512 1.00 0.00 C ATOM 323 C LYS A 152 -2.488 0.088 4.694 1.00 0.00 C ATOM 324 O LYS A 152 -3.226 0.299 3.734 1.00 0.00 O ATOM 325 CB LYS A 152 -3.000 2.125 6.163 1.00 0.00 C ATOM 326 CG LYS A 152 -3.192 1.750 7.634 1.00 0.00 C ATOM 327 CD LYS A 152 -2.050 2.299 8.492 1.00 0.00 C ATOM 328 CE LYS A 152 -1.731 1.353 9.652 1.00 0.00 C ATOM 329 NZ LYS A 152 -2.259 1.896 10.924 1.00 0.00 N ATOM 0 H LYS A 152 -1.534 2.525 3.892 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.358 0.820 6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -2.718 3.175 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -3.942 2.007 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -4.143 2.144 7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -3.238 0.666 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -1.162 2.437 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -2.323 3.280 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -2.167 0.372 9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -0.653 1.213 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -2.034 1.242 11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -1.824 2.821 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -3.291 2.007 10.853 1.00 0.00 H new ATOM 339 N ASP A 153 -2.117 -1.115 5.106 1.00 0.00 N ATOM 340 CA ASP A 153 -2.576 -2.314 4.425 1.00 0.00 C ATOM 341 C ASP A 153 -3.499 -3.102 5.355 1.00 0.00 C ATOM 342 O ASP A 153 -3.144 -3.381 6.499 1.00 0.00 O ATOM 343 CB ASP A 153 -1.400 -3.218 4.048 1.00 0.00 C ATOM 344 CG ASP A 153 -1.593 -4.699 4.375 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.745 -5.166 4.237 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.585 -5.332 4.758 1.00 0.00 O ATOM 0 H ASP A 153 -1.504 -1.285 5.903 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.100 -2.008 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.213 -3.119 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.507 -2.861 4.562 1.00 0.00 H new ATOM 350 N LEU A 154 -4.668 -3.440 4.831 1.00 0.00 N ATOM 351 CA LEU A 154 -5.646 -4.191 5.600 1.00 0.00 C ATOM 352 C LEU A 154 -5.707 -5.627 5.075 1.00 0.00 C ATOM 353 O LEU A 154 -4.931 -6.005 4.199 1.00 0.00 O ATOM 354 CB LEU A 154 -6.998 -3.476 5.592 1.00 0.00 C ATOM 355 CG LEU A 154 -7.106 -2.254 4.677 1.00 0.00 C ATOM 356 CD1 LEU A 154 -6.069 -1.194 5.053 1.00 0.00 C ATOM 357 CD2 LEU A 154 -7.002 -2.661 3.206 1.00 0.00 C ATOM 0 H LEU A 154 -4.960 -3.207 3.882 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.347 -4.246 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.764 -4.194 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.227 -3.164 6.611 1.00 0.00 H new ATOM 0 HG LEU A 154 -8.090 -1.806 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.167 -0.336 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.232 -0.875 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.068 -1.614 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.082 -1.775 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.042 -3.146 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.808 -3.353 2.962 1.00 0.00 H new ATOM 368 N ARG A 155 -6.637 -6.388 5.634 1.00 0.00 N ATOM 369 CA ARG A 155 -6.809 -7.774 5.233 1.00 0.00 C ATOM 370 C ARG A 155 -6.843 -7.885 3.708 1.00 0.00 C ATOM 371 O ARG A 155 -6.589 -8.953 3.154 1.00 0.00 O ATOM 372 CB ARG A 155 -8.101 -8.357 5.810 1.00 0.00 C ATOM 373 CG ARG A 155 -9.295 -7.451 5.506 1.00 0.00 C ATOM 374 CD ARG A 155 -9.699 -7.552 4.034 1.00 0.00 C ATOM 375 NE ARG A 155 -11.162 -7.746 3.923 1.00 0.00 N ATOM 376 CZ ARG A 155 -11.798 -8.875 4.264 1.00 0.00 C ATOM 377 NH1 ARG A 155 -11.104 -9.918 4.740 1.00 0.00 N ATOM 378 NH2 ARG A 155 -13.129 -8.962 4.130 1.00 0.00 N ATOM 0 H ARG A 155 -7.279 -6.071 6.361 1.00 0.00 H new ATOM 0 HA ARG A 155 -5.963 -8.340 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -8.276 -9.348 5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -7.999 -8.480 6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -10.138 -7.730 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -9.043 -6.418 5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -9.403 -6.647 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -9.177 -8.384 3.561 1.00 0.00 H new ATOM 0 HE ARG A 155 -11.721 -6.972 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -10.091 -9.853 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -11.589 -10.777 4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -13.658 -8.169 3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -13.613 -9.822 4.390 1.00 0.00 H new ATOM 389 N ASP A 156 -7.161 -6.767 3.071 1.00 0.00 N ATOM 390 CA ASP A 156 -7.233 -6.726 1.621 1.00 0.00 C ATOM 391 C ASP A 156 -5.817 -6.662 1.047 1.00 0.00 C ATOM 392 O ASP A 156 -5.636 -6.431 -0.148 1.00 0.00 O ATOM 393 CB ASP A 156 -7.993 -5.487 1.143 1.00 0.00 C ATOM 394 CG ASP A 156 -8.579 -5.593 -0.267 1.00 0.00 C ATOM 395 OD1 ASP A 156 -9.255 -6.612 -0.526 1.00 0.00 O ATOM 396 OD2 ASP A 156 -8.337 -4.652 -1.054 1.00 0.00 O ATOM 0 H ASP A 156 -7.372 -5.883 3.533 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.754 -7.622 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -8.803 -5.284 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.320 -4.630 1.177 1.00 0.00 H new ATOM 400 N VAL A 157 -4.846 -6.871 1.925 1.00 0.00 N ATOM 401 CA VAL A 157 -3.451 -6.841 1.520 1.00 0.00 C ATOM 402 C VAL A 157 -3.324 -7.398 0.101 1.00 0.00 C ATOM 403 O VAL A 157 -3.074 -6.651 -0.844 1.00 0.00 O ATOM 404 CB VAL A 157 -2.594 -7.595 2.538 1.00 0.00 C ATOM 405 CG1 VAL A 157 -3.460 -8.485 3.431 1.00 0.00 C ATOM 406 CG2 VAL A 157 -1.505 -8.412 1.840 1.00 0.00 C ATOM 0 H VAL A 157 -4.998 -7.062 2.915 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.081 -5.816 1.500 1.00 0.00 H new ATOM 0 HB VAL A 157 -2.104 -6.858 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -2.826 -9.010 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -4.181 -7.869 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -3.991 -9.211 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -0.910 -8.938 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -1.967 -9.136 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -0.861 -7.745 1.267 1.00 0.00 H new ATOM 416 N GLY A 158 -3.502 -8.707 -0.004 1.00 0.00 N ATOM 417 CA GLY A 158 -3.410 -9.373 -1.292 1.00 0.00 C ATOM 418 C GLY A 158 -2.213 -8.857 -2.093 1.00 0.00 C ATOM 419 O GLY A 158 -1.150 -8.599 -1.530 1.00 0.00 O ATOM 0 H GLY A 158 -3.709 -9.324 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.316 -10.449 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -4.328 -9.209 -1.857 1.00 0.00 H new ATOM 423 N ASP A 159 -2.426 -8.722 -3.394 1.00 0.00 N ATOM 424 CA ASP A 159 -1.378 -8.241 -4.277 1.00 0.00 C ATOM 425 C ASP A 159 -1.127 -6.756 -4.003 1.00 0.00 C ATOM 426 O ASP A 159 -0.005 -6.275 -4.151 1.00 0.00 O ATOM 427 CB ASP A 159 -1.784 -8.388 -5.745 1.00 0.00 C ATOM 428 CG ASP A 159 -2.252 -9.788 -6.148 1.00 0.00 C ATOM 429 OD1 ASP A 159 -3.421 -10.107 -5.842 1.00 0.00 O ATOM 430 OD2 ASP A 159 -1.430 -10.509 -6.754 1.00 0.00 O ATOM 0 H ASP A 159 -3.309 -8.937 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.482 -8.832 -4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -2.583 -7.678 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.936 -8.110 -6.371 1.00 0.00 H new ATOM 434 N TRP A 160 -2.191 -6.072 -3.609 1.00 0.00 N ATOM 435 CA TRP A 160 -2.101 -4.652 -3.314 1.00 0.00 C ATOM 436 C TRP A 160 -0.892 -4.436 -2.401 1.00 0.00 C ATOM 437 O TRP A 160 0.111 -3.860 -2.819 1.00 0.00 O ATOM 438 CB TRP A 160 -3.407 -4.134 -2.709 1.00 0.00 C ATOM 439 CG TRP A 160 -3.250 -3.530 -1.312 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.603 -4.067 -0.136 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.681 -2.243 -0.991 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.305 -3.223 0.915 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.726 -2.080 0.378 1.00 0.00 C ATOM 444 CE3 TRP A 160 -2.145 -1.250 -1.830 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.251 -0.935 1.029 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.676 -0.112 -1.164 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.714 0.068 0.214 1.00 0.00 C ATOM 0 H TRP A 160 -3.120 -6.475 -3.487 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.955 -4.076 -4.228 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.830 -3.381 -3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -4.123 -4.954 -2.660 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -4.063 -5.038 -0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -3.478 -3.405 1.904 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -2.099 -1.357 -2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.297 -0.831 2.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -1.255 0.682 -1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.331 0.977 0.653 1.00 0.00 H new ATOM 457 N ARG A 161 -1.027 -4.908 -1.171 1.00 0.00 N ATOM 458 CA ARG A 161 0.041 -4.774 -0.196 1.00 0.00 C ATOM 459 C ARG A 161 1.321 -5.430 -0.717 1.00 0.00 C ATOM 460 O ARG A 161 2.335 -4.758 -0.903 1.00 0.00 O ATOM 461 CB ARG A 161 -0.346 -5.417 1.138 1.00 0.00 C ATOM 462 CG ARG A 161 0.675 -5.080 2.226 1.00 0.00 C ATOM 463 CD ARG A 161 1.124 -6.342 2.966 1.00 0.00 C ATOM 464 NE ARG A 161 2.070 -5.986 4.047 1.00 0.00 N ATOM 465 CZ ARG A 161 2.287 -6.739 5.133 1.00 0.00 C ATOM 466 NH1 ARG A 161 1.628 -7.895 5.290 1.00 0.00 N ATOM 467 NH2 ARG A 161 3.164 -6.337 6.063 1.00 0.00 N ATOM 0 H ARG A 161 -1.861 -5.384 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 161 0.212 -3.709 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.334 -5.069 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -0.412 -6.498 1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 161 1.540 -4.589 1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 161 0.239 -4.375 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 161 0.258 -6.856 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 161 1.599 -7.033 2.269 1.00 0.00 H new ATOM 0 HE ARG A 161 2.589 -5.112 3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 161 0.961 -8.202 4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 161 1.794 -8.468 6.117 1.00 0.00 H new ATOM 0 HH21 ARG A 161 3.666 -5.457 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 161 3.329 -6.911 6.890 1.00 0.00 H new ATOM 478 N LYS A 162 1.233 -6.733 -0.936 1.00 0.00 N ATOM 479 CA LYS A 162 2.372 -7.487 -1.431 1.00 0.00 C ATOM 480 C LYS A 162 3.325 -6.540 -2.165 1.00 0.00 C ATOM 481 O LYS A 162 4.511 -6.478 -1.846 1.00 0.00 O ATOM 482 CB LYS A 162 1.903 -8.668 -2.283 1.00 0.00 C ATOM 483 CG LYS A 162 3.084 -9.339 -2.989 1.00 0.00 C ATOM 484 CD LYS A 162 3.541 -10.586 -2.230 1.00 0.00 C ATOM 485 CE LYS A 162 3.850 -11.732 -3.194 1.00 0.00 C ATOM 486 NZ LYS A 162 4.086 -12.988 -2.448 1.00 0.00 N ATOM 0 H LYS A 162 0.390 -7.286 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 162 2.930 -7.923 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 162 1.391 -9.395 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 162 1.181 -8.323 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 162 2.798 -9.612 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.912 -8.634 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.428 -10.353 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 162 2.765 -10.895 -1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 162 3.020 -11.865 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 162 4.728 -11.486 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 4.294 -13.756 -3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 4.892 -12.863 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 3.237 -13.230 -1.898 1.00 0.00 H new ATOM 496 N ASN A 163 2.769 -5.826 -3.133 1.00 0.00 N ATOM 497 CA ASN A 163 3.555 -4.886 -3.914 1.00 0.00 C ATOM 498 C ASN A 163 4.134 -3.817 -2.985 1.00 0.00 C ATOM 499 O ASN A 163 5.351 -3.693 -2.859 1.00 0.00 O ATOM 500 CB ASN A 163 2.689 -4.183 -4.962 1.00 0.00 C ATOM 501 CG ASN A 163 2.483 -5.073 -6.189 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.420 -5.558 -6.802 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.207 -5.261 -6.512 1.00 0.00 N ATOM 0 H ASN A 163 1.784 -5.880 -3.394 1.00 0.00 H new ATOM 0 HA ASN A 163 4.348 -5.442 -4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.723 -3.927 -4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 163 3.162 -3.248 -5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 163 0.964 -5.841 -7.315 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.471 -4.826 -5.956 1.00 0.00 H new ATOM 509 N ILE A 164 3.235 -3.072 -2.359 1.00 0.00 N ATOM 510 CA ILE A 164 3.641 -2.017 -1.446 1.00 0.00 C ATOM 511 C ILE A 164 4.046 -2.637 -0.106 1.00 0.00 C ATOM 512 O ILE A 164 4.113 -1.944 0.907 1.00 0.00 O ATOM 513 CB ILE A 164 2.543 -0.959 -1.327 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.265 -1.557 -0.735 1.00 0.00 C ATOM 515 CG2 ILE A 164 2.288 -0.281 -2.674 1.00 0.00 C ATOM 516 CD1 ILE A 164 1.448 -1.881 0.749 1.00 0.00 C ATOM 0 H ILE A 164 2.226 -3.178 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 164 4.515 -1.493 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 164 2.886 -0.188 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.440 -0.856 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 164 0.997 -2.463 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 164 1.503 0.467 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 164 3.203 0.202 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.976 -1.028 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.525 -2.305 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 164 2.258 -2.601 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 164 1.691 -0.969 1.293 1.00 0.00 H new ATOM 527 N GLU A 165 4.304 -3.936 -0.145 1.00 0.00 N ATOM 528 CA GLU A 165 4.700 -4.656 1.053 1.00 0.00 C ATOM 529 C GLU A 165 6.212 -4.890 1.056 1.00 0.00 C ATOM 530 O GLU A 165 6.862 -4.754 2.092 1.00 0.00 O ATOM 531 CB GLU A 165 3.941 -5.979 1.172 1.00 0.00 C ATOM 532 CG GLU A 165 4.420 -6.778 2.386 1.00 0.00 C ATOM 533 CD GLU A 165 3.723 -8.139 2.457 1.00 0.00 C ATOM 534 OE1 GLU A 165 3.594 -8.767 1.384 1.00 0.00 O ATOM 535 OE2 GLU A 165 3.334 -8.519 3.583 1.00 0.00 O ATOM 0 H GLU A 165 4.246 -4.508 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 165 4.444 -4.048 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 165 2.872 -5.783 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.084 -6.567 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 165 5.499 -6.921 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 165 4.220 -6.215 3.298 1.00 0.00 H new ATOM 540 N GLU A 166 6.728 -5.238 -0.113 1.00 0.00 N ATOM 541 CA GLU A 166 8.151 -5.491 -0.258 1.00 0.00 C ATOM 542 C GLU A 166 8.858 -4.249 -0.804 1.00 0.00 C ATOM 543 O GLU A 166 9.957 -3.913 -0.365 1.00 0.00 O ATOM 544 CB GLU A 166 8.403 -6.705 -1.155 1.00 0.00 C ATOM 545 CG GLU A 166 8.120 -8.009 -0.407 1.00 0.00 C ATOM 546 CD GLU A 166 7.082 -7.793 0.697 1.00 0.00 C ATOM 547 OE1 GLU A 166 5.880 -7.808 0.356 1.00 0.00 O ATOM 548 OE2 GLU A 166 7.516 -7.616 1.857 1.00 0.00 O ATOM 0 H GLU A 166 6.186 -5.351 -0.969 1.00 0.00 H new ATOM 0 HA GLU A 166 8.563 -5.716 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.770 -6.645 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 166 9.437 -6.697 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.760 -8.763 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 166 9.044 -8.391 0.027 1.00 0.00 H new ATOM 553 N LYS A 167 8.200 -3.602 -1.753 1.00 0.00 N ATOM 554 CA LYS A 167 8.753 -2.404 -2.364 1.00 0.00 C ATOM 555 C LYS A 167 8.514 -1.209 -1.439 1.00 0.00 C ATOM 556 O LYS A 167 9.259 -0.231 -1.478 1.00 0.00 O ATOM 557 CB LYS A 167 8.189 -2.212 -3.773 1.00 0.00 C ATOM 558 CG LYS A 167 6.830 -1.511 -3.730 1.00 0.00 C ATOM 559 CD LYS A 167 6.879 -0.174 -4.473 1.00 0.00 C ATOM 560 CE LYS A 167 7.839 0.799 -3.786 1.00 0.00 C ATOM 561 NZ LYS A 167 7.570 2.188 -4.223 1.00 0.00 N ATOM 0 H LYS A 167 7.289 -3.884 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 167 9.831 -2.503 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 167 8.886 -1.625 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 167 8.087 -3.180 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 167 6.071 -2.153 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.535 -1.345 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 167 7.196 -0.337 -5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 167 5.880 0.261 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 167 7.729 0.724 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 167 8.869 0.530 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 8.230 2.836 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 7.697 2.259 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 6.593 2.447 -3.976 1.00 0.00 H new ATOM 571 N SER A 168 7.473 -1.327 -0.628 1.00 0.00 N ATOM 572 CA SER A 168 7.127 -0.269 0.305 1.00 0.00 C ATOM 573 C SER A 168 6.923 -0.852 1.705 1.00 0.00 C ATOM 574 O SER A 168 5.804 -0.865 2.218 1.00 0.00 O ATOM 575 CB SER A 168 5.871 0.477 -0.149 1.00 0.00 C ATOM 576 OG SER A 168 5.878 0.731 -1.550 1.00 0.00 O ATOM 0 H SER A 168 6.858 -2.140 -0.598 1.00 0.00 H new ATOM 0 HA SER A 168 7.950 0.445 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 168 4.989 -0.109 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.796 1.421 0.390 1.00 0.00 H new ATOM 0 HG SER A 168 5.253 1.458 -1.754 1.00 0.00 H new ATOM 581 N GLY A 169 8.019 -1.319 2.282 1.00 0.00 N ATOM 582 CA GLY A 169 7.974 -1.902 3.613 1.00 0.00 C ATOM 583 C GLY A 169 9.378 -2.267 4.100 1.00 0.00 C ATOM 584 O GLY A 169 9.857 -1.719 5.091 1.00 0.00 O ATOM 0 H GLY A 169 8.944 -1.306 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.516 -1.197 4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 169 7.346 -2.793 3.603 1.00 0.00 H new