USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=6 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 Set 1.1: A 145 LYS NZ :NH3+ -169:sc= 0.838 (180deg=0) USER MOD Set 1.2: A 167 LYS NZ :NH3+ 145:sc= -1.84 (180deg=-3.31!) USER MOD Set 1.3: A 168 SER OG : rot 4:sc= 0.452 USER MOD Single : A 133 ASN : amide:sc= -5.57! C(o=-5.6!,f=-8.8!) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -0.927! C(o=-0.93!,f=-0.82!) USER MOD Single : A 142 GLN : amide:sc= -2.4! C(o=-2.4!,f=-3.7!) USER MOD Single : A 144 LYS NZ :NH3+ -146:sc= -0.0968 (180deg=-0.854) 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+ 172:sc= -0.21 (180deg=-0.216) USER MOD Single : A 163 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -21.695 -5.906 2.037 1.00 0.00 N ATOM 20 CA VAL A 132 -21.497 -4.469 1.947 1.00 0.00 C ATOM 21 C VAL A 132 -20.555 -4.018 3.064 1.00 0.00 C ATOM 22 O VAL A 132 -19.578 -3.314 2.811 1.00 0.00 O ATOM 23 CB VAL A 132 -22.848 -3.753 1.978 1.00 0.00 C ATOM 24 CG1 VAL A 132 -23.068 -3.055 3.322 1.00 0.00 C ATOM 25 CG2 VAL A 132 -22.970 -2.761 0.818 1.00 0.00 C ATOM 0 HA VAL A 132 -21.026 -4.206 1.000 1.00 0.00 H new ATOM 0 HB VAL A 132 -23.628 -4.505 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -24.036 -2.554 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -23.046 -3.793 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -22.279 -2.320 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -23.940 -2.266 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -22.178 -2.016 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -22.879 -3.295 -0.128 1.00 0.00 H new ATOM 35 N ASN A 133 -20.881 -4.441 4.276 1.00 0.00 N ATOM 36 CA ASN A 133 -20.075 -4.088 5.434 1.00 0.00 C ATOM 37 C ASN A 133 -18.596 -4.124 5.049 1.00 0.00 C ATOM 38 O ASN A 133 -17.855 -3.181 5.326 1.00 0.00 O ATOM 39 CB ASN A 133 -20.291 -5.082 6.577 1.00 0.00 C ATOM 40 CG ASN A 133 -20.015 -6.515 6.119 1.00 0.00 C ATOM 41 OD1 ASN A 133 -18.940 -7.059 6.309 1.00 0.00 O ATOM 42 ND2 ASN A 133 -21.044 -7.093 5.505 1.00 0.00 N ATOM 0 H ASN A 133 -21.692 -5.025 4.482 1.00 0.00 H new ATOM 0 HA ASN A 133 -20.371 -3.091 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.635 -4.831 7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -21.315 -5.004 6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.960 -8.049 5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -21.916 -6.580 5.379 1.00 0.00 H new ATOM 48 N MET A 134 -18.207 -5.222 4.417 1.00 0.00 N ATOM 49 CA MET A 134 -16.828 -5.393 3.992 1.00 0.00 C ATOM 50 C MET A 134 -16.467 -4.395 2.890 1.00 0.00 C ATOM 51 O MET A 134 -15.392 -3.797 2.917 1.00 0.00 O ATOM 52 CB MET A 134 -16.626 -6.819 3.476 1.00 0.00 C ATOM 53 CG MET A 134 -17.210 -7.842 4.451 1.00 0.00 C ATOM 54 SD MET A 134 -16.548 -9.463 4.103 1.00 0.00 S ATOM 55 CE MET A 134 -16.145 -9.995 5.760 1.00 0.00 C ATOM 0 H MET A 134 -18.823 -6.002 4.189 1.00 0.00 H new ATOM 0 HA MET A 134 -16.178 -5.212 4.848 1.00 0.00 H new ATOM 0 HB2 MET A 134 -17.101 -6.928 2.501 1.00 0.00 H new ATOM 0 HB3 MET A 134 -15.562 -7.011 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 134 -16.974 -7.556 5.476 1.00 0.00 H new ATOM 0 HG3 MET A 134 -18.297 -7.858 4.367 1.00 0.00 H new ATOM 0 HE1 MET A 134 -15.717 -10.997 5.726 1.00 0.00 H new ATOM 0 HE2 MET A 134 -15.423 -9.306 6.198 1.00 0.00 H new ATOM 0 HE3 MET A 134 -17.049 -10.007 6.368 1.00 0.00 H new ATOM 63 N ASP A 135 -17.385 -4.245 1.946 1.00 0.00 N ATOM 64 CA ASP A 135 -17.177 -3.331 0.837 1.00 0.00 C ATOM 65 C ASP A 135 -16.864 -1.936 1.384 1.00 0.00 C ATOM 66 O ASP A 135 -16.044 -1.213 0.819 1.00 0.00 O ATOM 67 CB ASP A 135 -18.430 -3.226 -0.034 1.00 0.00 C ATOM 68 CG ASP A 135 -18.224 -2.538 -1.385 1.00 0.00 C ATOM 69 OD1 ASP A 135 -17.097 -2.653 -1.914 1.00 0.00 O ATOM 70 OD2 ASP A 135 -19.197 -1.913 -1.858 1.00 0.00 O ATOM 0 H ASP A 135 -18.275 -4.742 1.927 1.00 0.00 H new ATOM 0 HA ASP A 135 -16.352 -3.713 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -18.817 -4.230 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -19.195 -2.682 0.521 1.00 0.00 H new ATOM 74 N LEU A 136 -17.534 -1.600 2.477 1.00 0.00 N ATOM 75 CA LEU A 136 -17.337 -0.305 3.106 1.00 0.00 C ATOM 76 C LEU A 136 -15.951 -0.262 3.754 1.00 0.00 C ATOM 77 O LEU A 136 -15.073 0.470 3.301 1.00 0.00 O ATOM 78 CB LEU A 136 -18.480 -0.002 4.078 1.00 0.00 C ATOM 79 CG LEU A 136 -18.516 1.416 4.650 1.00 0.00 C ATOM 80 CD1 LEU A 136 -17.205 1.753 5.363 1.00 0.00 C ATOM 81 CD2 LEU A 136 -18.856 2.437 3.563 1.00 0.00 C ATOM 0 H LEU A 136 -18.213 -2.202 2.943 1.00 0.00 H new ATOM 0 HA LEU A 136 -17.365 0.489 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -19.424 -0.190 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -18.421 -0.706 4.908 1.00 0.00 H new ATOM 0 HG LEU A 136 -19.309 1.463 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -17.257 2.767 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -17.045 1.050 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -16.378 1.682 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -18.875 3.437 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -18.102 2.396 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -19.834 2.206 3.140 1.00 0.00 H new ATOM 92 N ARG A 137 -15.800 -1.057 4.803 1.00 0.00 N ATOM 93 CA ARG A 137 -14.536 -1.118 5.518 1.00 0.00 C ATOM 94 C ARG A 137 -13.366 -1.058 4.533 1.00 0.00 C ATOM 95 O ARG A 137 -12.511 -0.180 4.633 1.00 0.00 O ATOM 96 CB ARG A 137 -14.432 -2.403 6.344 1.00 0.00 C ATOM 97 CG ARG A 137 -15.603 -2.521 7.322 1.00 0.00 C ATOM 98 CD ARG A 137 -15.128 -3.024 8.687 1.00 0.00 C ATOM 99 NE ARG A 137 -16.275 -3.123 9.617 1.00 0.00 N ATOM 100 CZ ARG A 137 -17.084 -4.188 9.701 1.00 0.00 C ATOM 101 NH1 ARG A 137 -16.878 -5.250 8.910 1.00 0.00 N ATOM 102 NH2 ARG A 137 -18.102 -4.190 10.574 1.00 0.00 N ATOM 0 H ARG A 137 -16.531 -1.664 5.175 1.00 0.00 H new ATOM 0 HA ARG A 137 -14.494 -0.262 6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.420 -3.267 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -13.491 -2.411 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -16.086 -1.550 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -16.351 -3.204 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.652 -3.998 8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.378 -2.346 9.093 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.461 -2.331 10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.105 -5.248 8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.494 -6.061 8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -18.261 -3.381 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -18.718 -5.001 10.638 1.00 0.00 H new ATOM 113 N ALA A 138 -13.366 -2.004 3.605 1.00 0.00 N ATOM 114 CA ALA A 138 -12.316 -2.068 2.603 1.00 0.00 C ATOM 115 C ALA A 138 -12.314 -0.774 1.787 1.00 0.00 C ATOM 116 O ALA A 138 -11.254 -0.260 1.433 1.00 0.00 O ATOM 117 CB ALA A 138 -12.518 -3.308 1.731 1.00 0.00 C ATOM 0 H ALA A 138 -14.076 -2.732 3.526 1.00 0.00 H new ATOM 0 HA ALA A 138 -11.339 -2.159 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -11.730 -3.356 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -12.480 -4.201 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -13.488 -3.251 1.237 1.00 0.00 H new ATOM 123 N ASN A 139 -13.514 -0.284 1.512 1.00 0.00 N ATOM 124 CA ASN A 139 -13.664 0.940 0.744 1.00 0.00 C ATOM 125 C ASN A 139 -13.227 2.131 1.599 1.00 0.00 C ATOM 126 O ASN A 139 -13.156 3.257 1.111 1.00 0.00 O ATOM 127 CB ASN A 139 -15.123 1.160 0.339 1.00 0.00 C ATOM 128 CG ASN A 139 -15.353 2.600 -0.123 1.00 0.00 C ATOM 129 OD1 ASN A 139 -14.816 3.052 -1.122 1.00 0.00 O ATOM 130 ND2 ASN A 139 -16.178 3.294 0.656 1.00 0.00 N ATOM 0 H ASN A 139 -14.391 -0.713 1.807 1.00 0.00 H new ATOM 0 HA ASN A 139 -13.049 0.853 -0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -15.390 0.470 -0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -15.776 0.936 1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -16.395 4.265 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -16.594 2.855 1.478 1.00 0.00 H new ATOM 136 N LEU A 140 -12.946 1.841 2.861 1.00 0.00 N ATOM 137 CA LEU A 140 -12.517 2.873 3.789 1.00 0.00 C ATOM 138 C LEU A 140 -10.994 2.823 3.933 1.00 0.00 C ATOM 139 O LEU A 140 -10.312 3.819 3.697 1.00 0.00 O ATOM 140 CB LEU A 140 -13.264 2.744 5.117 1.00 0.00 C ATOM 141 CG LEU A 140 -13.778 4.049 5.728 1.00 0.00 C ATOM 142 CD1 LEU A 140 -12.617 4.950 6.151 1.00 0.00 C ATOM 143 CD2 LEU A 140 -14.737 4.762 4.772 1.00 0.00 C ATOM 0 H LEU A 140 -13.007 0.905 3.263 1.00 0.00 H new ATOM 0 HA LEU A 140 -12.769 3.861 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -14.113 2.076 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -12.602 2.265 5.838 1.00 0.00 H new ATOM 0 HG LEU A 140 -14.342 3.806 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -13.010 5.871 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -12.007 4.434 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -12.006 5.189 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -15.088 5.687 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -14.218 4.993 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -15.589 4.115 4.562 1.00 0.00 H new ATOM 172 N GLN A 142 -8.934 0.005 2.583 1.00 0.00 N ATOM 173 CA GLN A 142 -8.427 -0.459 1.304 1.00 0.00 C ATOM 174 C GLN A 142 -6.899 -0.370 1.273 1.00 0.00 C ATOM 175 O GLN A 142 -6.211 -1.282 1.728 1.00 0.00 O ATOM 176 CB GLN A 142 -9.046 0.331 0.148 1.00 0.00 C ATOM 177 CG GLN A 142 -9.504 1.715 0.614 1.00 0.00 C ATOM 178 CD GLN A 142 -10.211 2.467 -0.514 1.00 0.00 C ATOM 179 OE1 GLN A 142 -11.288 3.016 -0.350 1.00 0.00 O ATOM 180 NE2 GLN A 142 -9.548 2.461 -1.668 1.00 0.00 N ATOM 0 HA GLN A 142 -8.713 -1.504 1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.318 0.436 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -9.894 -0.219 -0.260 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -10.177 1.612 1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -8.644 2.290 0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -8.650 1.982 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -9.938 2.935 -2.483 1.00 0.00 H new ATOM 187 N VAL A 143 -6.414 0.739 0.732 1.00 0.00 N ATOM 188 CA VAL A 143 -4.982 0.959 0.637 1.00 0.00 C ATOM 189 C VAL A 143 -4.671 2.418 0.975 1.00 0.00 C ATOM 190 O VAL A 143 -4.990 3.319 0.202 1.00 0.00 O ATOM 191 CB VAL A 143 -4.480 0.547 -0.749 1.00 0.00 C ATOM 192 CG1 VAL A 143 -5.602 -0.094 -1.569 1.00 0.00 C ATOM 193 CG2 VAL A 143 -3.871 1.740 -1.488 1.00 0.00 C ATOM 0 H VAL A 143 -6.988 1.494 0.356 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.452 0.338 1.359 1.00 0.00 H new ATOM 0 HB VAL A 143 -3.696 -0.198 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -5.220 -0.378 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -5.969 -0.981 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -6.417 0.619 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -3.522 1.420 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -4.625 2.518 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -3.031 2.133 -0.915 1.00 0.00 H new ATOM 203 N LYS A 144 -4.053 2.605 2.132 1.00 0.00 N ATOM 204 CA LYS A 144 -3.695 3.940 2.582 1.00 0.00 C ATOM 205 C LYS A 144 -2.214 4.192 2.292 1.00 0.00 C ATOM 206 O LYS A 144 -1.379 4.110 3.191 1.00 0.00 O ATOM 207 CB LYS A 144 -4.074 4.129 4.052 1.00 0.00 C ATOM 208 CG LYS A 144 -5.461 3.550 4.339 1.00 0.00 C ATOM 209 CD LYS A 144 -6.174 4.351 5.431 1.00 0.00 C ATOM 210 CE LYS A 144 -7.386 5.092 4.864 1.00 0.00 C ATOM 211 NZ LYS A 144 -7.006 5.865 3.661 1.00 0.00 N ATOM 0 H LYS A 144 -3.791 1.855 2.771 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.260 4.692 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.334 3.642 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.060 5.190 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.059 3.559 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -5.368 2.509 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -6.494 3.681 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.481 5.066 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -8.170 4.378 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -7.796 5.762 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -7.566 6.741 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.994 6.102 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.191 5.296 2.810 1.00 0.00 H new ATOM 221 N LYS A 145 -1.933 4.493 1.032 1.00 0.00 N ATOM 222 CA LYS A 145 -0.568 4.757 0.613 1.00 0.00 C ATOM 223 C LYS A 145 -0.363 6.267 0.479 1.00 0.00 C ATOM 224 O LYS A 145 -1.182 6.957 -0.125 1.00 0.00 O ATOM 225 CB LYS A 145 -0.239 3.977 -0.661 1.00 0.00 C ATOM 226 CG LYS A 145 1.050 3.169 -0.493 1.00 0.00 C ATOM 227 CD LYS A 145 1.931 3.276 -1.739 1.00 0.00 C ATOM 228 CE LYS A 145 3.415 3.195 -1.370 1.00 0.00 C ATOM 229 NZ LYS A 145 4.153 4.343 -1.940 1.00 0.00 N ATOM 0 H LYS A 145 -2.628 4.560 0.288 1.00 0.00 H new ATOM 0 HA LYS A 145 0.137 4.405 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -1.063 3.307 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.133 4.668 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 145 1.599 3.530 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 145 0.806 2.124 -0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 145 1.681 2.475 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 145 1.731 4.217 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.526 3.185 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.838 2.262 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 5.176 4.181 -1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 3.912 4.445 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.891 5.211 -1.431 1.00 0.00 H new ATOM 239 N GLU A 146 0.735 6.736 1.054 1.00 0.00 N ATOM 240 CA GLU A 146 1.057 8.152 1.008 1.00 0.00 C ATOM 241 C GLU A 146 2.565 8.358 1.167 1.00 0.00 C ATOM 242 O GLU A 146 3.012 9.452 1.511 1.00 0.00 O ATOM 243 CB GLU A 146 0.282 8.927 2.075 1.00 0.00 C ATOM 244 CG GLU A 146 -0.899 9.678 1.456 1.00 0.00 C ATOM 245 CD GLU A 146 -0.586 11.169 1.312 1.00 0.00 C ATOM 246 OE1 GLU A 146 -0.852 11.902 2.289 1.00 0.00 O ATOM 247 OE2 GLU A 146 -0.088 11.541 0.228 1.00 0.00 O ATOM 0 H GLU A 146 1.413 6.160 1.554 1.00 0.00 H new ATOM 0 HA GLU A 146 0.757 8.541 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -0.080 8.239 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.947 9.633 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.131 9.255 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -1.784 9.547 2.078 1.00 0.00 H new ATOM 252 N ASP A 147 3.306 7.291 0.910 1.00 0.00 N ATOM 253 CA ASP A 147 4.754 7.341 1.021 1.00 0.00 C ATOM 254 C ASP A 147 5.295 5.926 1.238 1.00 0.00 C ATOM 255 O ASP A 147 4.562 4.949 1.092 1.00 0.00 O ATOM 256 CB ASP A 147 5.186 8.200 2.212 1.00 0.00 C ATOM 257 CG ASP A 147 5.804 9.551 1.845 1.00 0.00 C ATOM 258 OD1 ASP A 147 6.322 9.649 0.712 1.00 0.00 O ATOM 259 OD2 ASP A 147 5.742 10.455 2.706 1.00 0.00 O ATOM 0 H ASP A 147 2.931 6.386 0.625 1.00 0.00 H new ATOM 0 HA ASP A 147 5.147 7.775 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 147 4.318 8.375 2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 147 5.907 7.637 2.804 1.00 0.00 H new ATOM 263 N THR A 148 6.572 5.861 1.584 1.00 0.00 N ATOM 264 CA THR A 148 7.219 4.582 1.823 1.00 0.00 C ATOM 265 C THR A 148 6.645 3.920 3.076 1.00 0.00 C ATOM 266 O THR A 148 6.231 2.763 3.036 1.00 0.00 O ATOM 267 CB THR A 148 8.727 4.823 1.900 1.00 0.00 C ATOM 268 OG1 THR A 148 9.280 3.518 2.053 1.00 0.00 O ATOM 269 CG2 THR A 148 9.140 5.555 3.178 1.00 0.00 C ATOM 0 H THR A 148 7.176 6.674 1.705 1.00 0.00 H new ATOM 0 HA THR A 148 7.028 3.884 1.008 1.00 0.00 H new ATOM 0 HB THR A 148 9.046 5.401 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 148 10.256 3.581 2.110 1.00 0.00 H new ATOM 0 HG21 THR A 148 10.220 5.700 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 148 8.644 6.525 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 148 8.851 4.963 4.046 1.00 0.00 H new ATOM 277 N GLU A 149 6.637 4.683 4.159 1.00 0.00 N ATOM 278 CA GLU A 149 6.120 4.184 5.423 1.00 0.00 C ATOM 279 C GLU A 149 4.594 4.282 5.447 1.00 0.00 C ATOM 280 O GLU A 149 3.937 3.587 6.220 1.00 0.00 O ATOM 281 CB GLU A 149 6.736 4.939 6.602 1.00 0.00 C ATOM 282 CG GLU A 149 8.147 4.428 6.903 1.00 0.00 C ATOM 283 CD GLU A 149 8.988 5.510 7.585 1.00 0.00 C ATOM 284 OE1 GLU A 149 8.743 5.746 8.787 1.00 0.00 O ATOM 285 OE2 GLU A 149 9.856 6.078 6.886 1.00 0.00 O ATOM 0 H GLU A 149 6.980 5.643 4.188 1.00 0.00 H new ATOM 0 HA GLU A 149 6.399 3.135 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 149 6.772 6.005 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 149 6.106 4.820 7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 149 8.090 3.548 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 149 8.630 4.117 5.977 1.00 0.00 H new ATOM 290 N LYS A 150 4.074 5.148 4.590 1.00 0.00 N ATOM 291 CA LYS A 150 2.637 5.345 4.503 1.00 0.00 C ATOM 292 C LYS A 150 2.046 4.328 3.524 1.00 0.00 C ATOM 293 O LYS A 150 2.129 4.509 2.311 1.00 0.00 O ATOM 294 CB LYS A 150 2.315 6.799 4.149 1.00 0.00 C ATOM 295 CG LYS A 150 2.998 7.763 5.122 1.00 0.00 C ATOM 296 CD LYS A 150 3.073 7.162 6.527 1.00 0.00 C ATOM 297 CE LYS A 150 3.469 8.224 7.555 1.00 0.00 C ATOM 298 NZ LYS A 150 2.523 8.221 8.694 1.00 0.00 N ATOM 0 H LYS A 150 4.622 5.722 3.949 1.00 0.00 H new ATOM 0 HA LYS A 150 2.169 5.166 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.643 7.011 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.236 6.953 4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.003 7.993 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.448 8.704 5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 150 2.108 6.733 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.798 6.349 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.480 8.032 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.479 9.208 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 2.806 8.947 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 1.564 8.426 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 2.534 7.287 9.152 1.00 0.00 H new ATOM 308 N GLU A 151 1.461 3.282 4.089 1.00 0.00 N ATOM 309 CA GLU A 151 0.855 2.237 3.281 1.00 0.00 C ATOM 310 C GLU A 151 0.026 1.299 4.161 1.00 0.00 C ATOM 311 O GLU A 151 0.275 0.095 4.198 1.00 0.00 O ATOM 312 CB GLU A 151 1.919 1.461 2.503 1.00 0.00 C ATOM 313 CG GLU A 151 3.143 1.181 3.377 1.00 0.00 C ATOM 314 CD GLU A 151 3.542 -0.294 3.305 1.00 0.00 C ATOM 315 OE1 GLU A 151 3.486 -0.844 2.183 1.00 0.00 O ATOM 316 OE2 GLU A 151 3.895 -0.840 4.372 1.00 0.00 O ATOM 0 H GLU A 151 1.394 3.136 5.096 1.00 0.00 H new ATOM 0 HA GLU A 151 0.190 2.705 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 151 1.500 0.520 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 151 2.219 2.030 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 151 3.977 1.803 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 151 2.927 1.453 4.410 1.00 0.00 H new ATOM 321 N LYS A 152 -0.942 1.887 4.848 1.00 0.00 N ATOM 322 CA LYS A 152 -1.810 1.118 5.725 1.00 0.00 C ATOM 323 C LYS A 152 -2.369 -0.081 4.959 1.00 0.00 C ATOM 324 O LYS A 152 -3.087 0.087 3.974 1.00 0.00 O ATOM 325 CB LYS A 152 -2.888 2.017 6.334 1.00 0.00 C ATOM 326 CG LYS A 152 -3.257 1.553 7.744 1.00 0.00 C ATOM 327 CD LYS A 152 -2.556 2.405 8.804 1.00 0.00 C ATOM 328 CE LYS A 152 -3.443 2.584 10.037 1.00 0.00 C ATOM 329 NZ LYS A 152 -2.614 2.731 11.255 1.00 0.00 N ATOM 0 H LYS A 152 -1.145 2.886 4.816 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.245 0.721 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -2.531 3.046 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -3.775 2.008 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -4.337 1.614 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -2.978 0.507 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -1.617 1.933 9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -2.307 3.380 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -4.076 3.463 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -4.106 1.726 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -3.232 2.852 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -2.028 1.881 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -1.999 3.564 11.158 1.00 0.00 H new ATOM 339 N ASP A 153 -2.021 -1.266 5.441 1.00 0.00 N ATOM 340 CA ASP A 153 -2.479 -2.493 4.813 1.00 0.00 C ATOM 341 C ASP A 153 -3.596 -3.107 5.661 1.00 0.00 C ATOM 342 O ASP A 153 -3.461 -3.228 6.878 1.00 0.00 O ATOM 343 CB ASP A 153 -1.346 -3.516 4.709 1.00 0.00 C ATOM 344 CG ASP A 153 -1.366 -4.612 5.776 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.372 -5.353 5.810 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.373 -4.686 6.532 1.00 0.00 O ATOM 0 H ASP A 153 -1.427 -1.402 6.259 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.835 -2.248 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.389 -3.985 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.394 -2.989 4.769 1.00 0.00 H new ATOM 350 N LEU A 154 -4.673 -3.481 4.984 1.00 0.00 N ATOM 351 CA LEU A 154 -5.810 -4.080 5.659 1.00 0.00 C ATOM 352 C LEU A 154 -6.129 -5.429 5.012 1.00 0.00 C ATOM 353 O LEU A 154 -5.442 -5.854 4.085 1.00 0.00 O ATOM 354 CB LEU A 154 -6.994 -3.111 5.678 1.00 0.00 C ATOM 355 CG LEU A 154 -7.196 -2.276 4.412 1.00 0.00 C ATOM 356 CD1 LEU A 154 -6.195 -1.119 4.352 1.00 0.00 C ATOM 357 CD2 LEU A 154 -7.133 -3.153 3.160 1.00 0.00 C ATOM 0 H LEU A 154 -4.781 -3.380 3.975 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.572 -4.276 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.904 -3.683 5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -6.869 -2.432 6.521 1.00 0.00 H new ATOM 0 HG LEU A 154 -8.193 -1.838 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.360 -0.542 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.331 -0.475 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.180 -1.516 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.280 -2.534 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.159 -3.640 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.915 -3.911 3.207 1.00 0.00 H new ATOM 368 N ARG A 155 -7.172 -6.064 5.527 1.00 0.00 N ATOM 369 CA ARG A 155 -7.591 -7.356 5.011 1.00 0.00 C ATOM 370 C ARG A 155 -7.299 -7.449 3.512 1.00 0.00 C ATOM 371 O ARG A 155 -6.595 -8.354 3.067 1.00 0.00 O ATOM 372 CB ARG A 155 -9.085 -7.586 5.248 1.00 0.00 C ATOM 373 CG ARG A 155 -9.830 -6.257 5.377 1.00 0.00 C ATOM 374 CD ARG A 155 -9.993 -5.860 6.846 1.00 0.00 C ATOM 375 NE ARG A 155 -9.890 -4.390 6.988 1.00 0.00 N ATOM 376 CZ ARG A 155 -10.774 -3.522 6.476 1.00 0.00 C ATOM 377 NH1 ARG A 155 -11.831 -3.971 5.785 1.00 0.00 N ATOM 378 NH2 ARG A 155 -10.600 -2.206 6.655 1.00 0.00 N ATOM 0 H ARG A 155 -7.739 -5.708 6.296 1.00 0.00 H new ATOM 0 HA ARG A 155 -7.028 -8.123 5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.503 -8.163 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -9.227 -8.176 6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.285 -5.478 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -10.810 -6.339 4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -10.958 -6.203 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -9.227 -6.346 7.450 1.00 0.00 H new ATOM 0 HE ARG A 155 -9.097 -4.014 7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -11.963 -4.973 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -12.504 -3.310 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -9.795 -1.865 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -11.272 -1.545 6.266 1.00 0.00 H new ATOM 389 N ASP A 156 -7.855 -6.499 2.773 1.00 0.00 N ATOM 390 CA ASP A 156 -7.663 -6.462 1.334 1.00 0.00 C ATOM 391 C ASP A 156 -6.199 -6.141 1.026 1.00 0.00 C ATOM 392 O ASP A 156 -5.903 -5.140 0.377 1.00 0.00 O ATOM 393 CB ASP A 156 -8.530 -5.378 0.690 1.00 0.00 C ATOM 394 CG ASP A 156 -8.740 -5.528 -0.818 1.00 0.00 C ATOM 395 OD1 ASP A 156 -8.861 -6.691 -1.262 1.00 0.00 O ATOM 396 OD2 ASP A 156 -8.775 -4.477 -1.494 1.00 0.00 O ATOM 0 H ASP A 156 -8.438 -5.749 3.145 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.944 -7.435 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -9.504 -5.375 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -8.074 -4.407 0.883 1.00 0.00 H new ATOM 400 N VAL A 157 -5.323 -7.010 1.508 1.00 0.00 N ATOM 401 CA VAL A 157 -3.896 -6.831 1.293 1.00 0.00 C ATOM 402 C VAL A 157 -3.505 -7.457 -0.047 1.00 0.00 C ATOM 403 O VAL A 157 -3.017 -6.767 -0.940 1.00 0.00 O ATOM 404 CB VAL A 157 -3.113 -7.407 2.474 1.00 0.00 C ATOM 405 CG1 VAL A 157 -2.003 -8.343 1.992 1.00 0.00 C ATOM 406 CG2 VAL A 157 -2.546 -6.290 3.353 1.00 0.00 C ATOM 0 H VAL A 157 -5.573 -7.840 2.046 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.647 -5.771 1.242 1.00 0.00 H new ATOM 0 HB VAL A 157 -3.804 -7.992 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -1.462 -8.739 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -2.441 -9.167 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -1.314 -7.791 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -1.994 -6.727 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -1.877 -5.666 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -3.363 -5.681 3.739 1.00 0.00 H new ATOM 416 N GLY A 158 -3.733 -8.759 -0.144 1.00 0.00 N ATOM 417 CA GLY A 158 -3.409 -9.487 -1.360 1.00 0.00 C ATOM 418 C GLY A 158 -2.097 -8.986 -1.966 1.00 0.00 C ATOM 419 O GLY A 158 -1.149 -8.687 -1.241 1.00 0.00 O ATOM 0 H GLY A 158 -4.138 -9.328 0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.329 -10.552 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -4.216 -9.371 -2.084 1.00 0.00 H new ATOM 423 N ASP A 159 -2.084 -8.911 -3.288 1.00 0.00 N ATOM 424 CA ASP A 159 -0.903 -8.451 -4.000 1.00 0.00 C ATOM 425 C ASP A 159 -0.628 -6.992 -3.634 1.00 0.00 C ATOM 426 O ASP A 159 0.499 -6.637 -3.289 1.00 0.00 O ATOM 427 CB ASP A 159 -1.108 -8.527 -5.514 1.00 0.00 C ATOM 428 CG ASP A 159 -2.502 -8.127 -5.999 1.00 0.00 C ATOM 429 OD1 ASP A 159 -3.432 -8.934 -5.781 1.00 0.00 O ATOM 430 OD2 ASP A 159 -2.608 -7.023 -6.577 1.00 0.00 O ATOM 0 H ASP A 159 -2.872 -9.161 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.068 -9.092 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -0.373 -7.883 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.904 -9.546 -5.842 1.00 0.00 H new ATOM 434 N TRP A 160 -1.674 -6.185 -3.720 1.00 0.00 N ATOM 435 CA TRP A 160 -1.559 -4.772 -3.401 1.00 0.00 C ATOM 436 C TRP A 160 -0.547 -4.625 -2.263 1.00 0.00 C ATOM 437 O TRP A 160 0.306 -3.739 -2.298 1.00 0.00 O ATOM 438 CB TRP A 160 -2.927 -4.172 -3.067 1.00 0.00 C ATOM 439 CG TRP A 160 -3.050 -3.671 -1.626 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.681 -4.257 -0.600 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.500 -2.448 -1.091 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.578 -3.505 0.554 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.838 -2.370 0.244 1.00 0.00 C ATOM 444 CE3 TRP A 160 -1.744 -1.441 -1.717 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.461 -1.303 1.069 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.374 -0.382 -0.878 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.706 -0.288 0.468 1.00 0.00 C ATOM 0 H TRP A 160 -2.607 -6.483 -4.006 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.198 -4.210 -4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.125 -3.344 -3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.696 -4.923 -3.247 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -4.205 -5.199 -0.667 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -3.972 -3.739 1.465 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.471 -1.481 -2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.738 -1.265 2.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -0.789 0.418 -1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.383 0.564 1.048 1.00 0.00 H new ATOM 457 N ARG A 161 -0.675 -5.506 -1.282 1.00 0.00 N ATOM 458 CA ARG A 161 0.218 -5.485 -0.136 1.00 0.00 C ATOM 459 C ARG A 161 1.621 -5.934 -0.549 1.00 0.00 C ATOM 460 O ARG A 161 2.554 -5.131 -0.563 1.00 0.00 O ATOM 461 CB ARG A 161 -0.294 -6.400 0.978 1.00 0.00 C ATOM 462 CG ARG A 161 0.462 -6.149 2.284 1.00 0.00 C ATOM 463 CD ARG A 161 1.271 -7.382 2.694 1.00 0.00 C ATOM 464 NE ARG A 161 1.260 -7.526 4.167 1.00 0.00 N ATOM 465 CZ ARG A 161 1.732 -8.596 4.821 1.00 0.00 C ATOM 466 NH1 ARG A 161 2.254 -9.623 4.135 1.00 0.00 N ATOM 467 NH2 ARG A 161 1.682 -8.642 6.159 1.00 0.00 N ATOM 0 H ARG A 161 -1.384 -6.239 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 161 0.254 -4.462 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.360 -6.230 1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -0.177 -7.442 0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 161 1.129 -5.295 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -0.244 -5.894 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 161 0.851 -8.274 2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 161 2.297 -7.290 2.337 1.00 0.00 H new ATOM 0 HE ARG A 161 0.869 -6.763 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 161 2.292 -9.589 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 161 2.614 -10.438 4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 161 1.284 -7.862 6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 161 2.042 -9.457 6.655 1.00 0.00 H new ATOM 478 N LYS A 162 1.727 -7.214 -0.875 1.00 0.00 N ATOM 479 CA LYS A 162 3.002 -7.778 -1.287 1.00 0.00 C ATOM 480 C LYS A 162 3.851 -6.685 -1.939 1.00 0.00 C ATOM 481 O LYS A 162 5.047 -6.580 -1.670 1.00 0.00 O ATOM 482 CB LYS A 162 2.782 -9.001 -2.179 1.00 0.00 C ATOM 483 CG LYS A 162 3.810 -9.045 -3.312 1.00 0.00 C ATOM 484 CD LYS A 162 5.192 -9.435 -2.784 1.00 0.00 C ATOM 485 CE LYS A 162 6.146 -9.763 -3.933 1.00 0.00 C ATOM 486 NZ LYS A 162 7.553 -9.617 -3.498 1.00 0.00 N ATOM 0 H LYS A 162 0.952 -7.876 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 162 3.558 -8.139 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.855 -9.910 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 162 1.776 -8.975 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 162 3.491 -9.761 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.864 -8.070 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 162 5.601 -8.619 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 162 5.103 -10.297 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 162 5.970 -10.781 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 162 5.950 -9.101 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 8.185 -9.972 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 7.758 -8.613 -3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.705 -10.163 -2.626 1.00 0.00 H new ATOM 496 N ASN A 163 3.200 -5.900 -2.785 1.00 0.00 N ATOM 497 CA ASN A 163 3.882 -4.820 -3.478 1.00 0.00 C ATOM 498 C ASN A 163 4.319 -3.763 -2.461 1.00 0.00 C ATOM 499 O ASN A 163 5.482 -3.720 -2.066 1.00 0.00 O ATOM 500 CB ASN A 163 2.956 -4.145 -4.493 1.00 0.00 C ATOM 501 CG ASN A 163 2.925 -4.924 -5.809 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.871 -5.597 -6.185 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.787 -4.798 -6.487 1.00 0.00 N ATOM 0 H ASN A 163 2.208 -5.990 -3.006 1.00 0.00 H new ATOM 0 HA ASN A 163 4.741 -5.243 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.949 -4.077 -4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 163 3.294 -3.125 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 163 1.668 -5.281 -7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 163 1.034 -4.219 -6.116 1.00 0.00 H new ATOM 509 N ILE A 164 3.361 -2.936 -2.067 1.00 0.00 N ATOM 510 CA ILE A 164 3.631 -1.882 -1.105 1.00 0.00 C ATOM 511 C ILE A 164 4.435 -2.459 0.064 1.00 0.00 C ATOM 512 O ILE A 164 5.494 -1.940 0.410 1.00 0.00 O ATOM 513 CB ILE A 164 2.331 -1.198 -0.678 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.253 -2.231 -0.343 1.00 0.00 C ATOM 515 CG2 ILE A 164 1.861 -0.203 -1.742 1.00 0.00 C ATOM 516 CD1 ILE A 164 0.944 -2.233 1.155 1.00 0.00 C ATOM 0 H ILE A 164 2.397 -2.975 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 164 4.240 -1.100 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 164 2.526 -0.629 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.345 -2.010 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 164 1.586 -3.222 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 164 0.935 0.270 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 164 2.625 0.560 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.687 -0.729 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.175 -2.976 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 164 1.848 -2.478 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 164 0.589 -1.247 1.455 1.00 0.00 H new ATOM 527 N GLU A 165 3.898 -3.525 0.640 1.00 0.00 N ATOM 528 CA GLU A 165 4.551 -4.178 1.762 1.00 0.00 C ATOM 529 C GLU A 165 6.051 -4.315 1.496 1.00 0.00 C ATOM 530 O GLU A 165 6.870 -3.972 2.346 1.00 0.00 O ATOM 531 CB GLU A 165 3.917 -5.540 2.048 1.00 0.00 C ATOM 532 CG GLU A 165 3.739 -5.758 3.552 1.00 0.00 C ATOM 533 CD GLU A 165 2.566 -4.937 4.090 1.00 0.00 C ATOM 534 OE1 GLU A 165 2.248 -3.912 3.448 1.00 0.00 O ATOM 535 OE2 GLU A 165 2.012 -5.352 5.131 1.00 0.00 O ATOM 0 H GLU A 165 3.018 -3.953 0.351 1.00 0.00 H new ATOM 0 HA GLU A 165 4.415 -3.558 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 165 2.949 -5.606 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.543 -6.330 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 165 3.569 -6.816 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 165 4.654 -5.478 4.074 1.00 0.00 H new ATOM 540 N GLU A 166 6.366 -4.820 0.311 1.00 0.00 N ATOM 541 CA GLU A 166 7.753 -5.007 -0.078 1.00 0.00 C ATOM 542 C GLU A 166 8.422 -3.654 -0.328 1.00 0.00 C ATOM 543 O GLU A 166 9.153 -3.151 0.524 1.00 0.00 O ATOM 544 CB GLU A 166 7.860 -5.909 -1.309 1.00 0.00 C ATOM 545 CG GLU A 166 9.314 -6.042 -1.766 1.00 0.00 C ATOM 546 CD GLU A 166 9.837 -7.460 -1.524 1.00 0.00 C ATOM 547 OE1 GLU A 166 9.627 -8.303 -2.423 1.00 0.00 O ATOM 548 OE2 GLU A 166 10.434 -7.668 -0.446 1.00 0.00 O ATOM 0 H GLU A 166 5.684 -5.105 -0.392 1.00 0.00 H new ATOM 0 HA GLU A 166 8.276 -5.502 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.456 -6.895 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.257 -5.499 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 166 9.390 -5.798 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 166 9.935 -5.325 -1.229 1.00 0.00 H new ATOM 553 N LYS A 167 8.147 -3.103 -1.501 1.00 0.00 N ATOM 554 CA LYS A 167 8.713 -1.818 -1.875 1.00 0.00 C ATOM 555 C LYS A 167 8.507 -0.822 -0.732 1.00 0.00 C ATOM 556 O LYS A 167 9.294 -0.784 0.213 1.00 0.00 O ATOM 557 CB LYS A 167 8.137 -1.348 -3.212 1.00 0.00 C ATOM 558 CG LYS A 167 6.665 -1.743 -3.345 1.00 0.00 C ATOM 559 CD LYS A 167 5.935 -0.819 -4.321 1.00 0.00 C ATOM 560 CE LYS A 167 5.533 0.491 -3.640 1.00 0.00 C ATOM 561 NZ LYS A 167 6.671 1.437 -3.623 1.00 0.00 N ATOM 0 H LYS A 167 7.540 -3.523 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 167 9.788 -1.906 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 167 8.235 -0.266 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 167 8.709 -1.783 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 167 6.591 -2.774 -3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.183 -1.699 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 167 6.577 -0.606 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 167 5.047 -1.320 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 167 4.689 0.937 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 167 5.203 0.291 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 6.317 2.408 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 7.176 1.357 -2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 7.321 1.212 -4.403 1.00 0.00 H new ATOM 571 N SER A 168 7.443 -0.042 -0.855 1.00 0.00 N ATOM 572 CA SER A 168 7.124 0.951 0.157 1.00 0.00 C ATOM 573 C SER A 168 6.807 0.261 1.485 1.00 0.00 C ATOM 574 O SER A 168 5.644 0.162 1.875 1.00 0.00 O ATOM 575 CB SER A 168 5.946 1.824 -0.282 1.00 0.00 C ATOM 576 OG SER A 168 6.359 2.881 -1.145 1.00 0.00 O ATOM 0 H SER A 168 6.792 -0.077 -1.639 1.00 0.00 H new ATOM 0 HA SER A 168 7.992 1.597 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 168 5.207 1.206 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.458 2.244 0.598 1.00 0.00 H new ATOM 0 HG SER A 168 7.317 2.795 -1.332 1.00 0.00 H new ATOM 581 N GLY A 169 7.860 -0.197 2.144 1.00 0.00 N ATOM 582 CA GLY A 169 7.709 -0.874 3.420 1.00 0.00 C ATOM 583 C GLY A 169 9.016 -1.547 3.842 1.00 0.00 C ATOM 584 O GLY A 169 9.504 -1.325 4.949 1.00 0.00 O ATOM 0 H GLY A 169 8.823 -0.112 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.402 -0.157 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 169 6.918 -1.621 3.348 1.00 0.00 H new