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 Set 1.1: A 167 LYS NZ :NH3+ -123:sc= -3.51! (180deg=-5.41!) USER MOD Set 1.2: A 168 SER OG : rot 177:sc= 0.49 USER MOD Single : A 133 ASN : amide:sc= -1.82 K(o=-1.8,f=-0.26) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2.4!) USER MOD Single : A 142 GLN : amide:sc= -0.406 K(o=-0.41,f=-3.1!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 LYS NZ :NH3+ -174:sc= -1.52 (180deg=-1.54) USER MOD Single : A 148 THR OG1 : rot 180:sc= -0.776! USER MOD Single : A 150 LYS NZ :NH3+ -134:sc= 1.07 (180deg=-0.253) 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= -0.0736 K(o=-0.074,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -21.127 5.541 10.656 1.00 0.00 N ATOM 20 CA VAL A 132 -20.130 6.543 10.319 1.00 0.00 C ATOM 21 C VAL A 132 -18.776 6.122 10.894 1.00 0.00 C ATOM 22 O VAL A 132 -17.850 5.812 10.147 1.00 0.00 O ATOM 23 CB VAL A 132 -20.585 7.919 10.806 1.00 0.00 C ATOM 24 CG1 VAL A 132 -19.423 8.915 10.802 1.00 0.00 C ATOM 25 CG2 VAL A 132 -21.755 8.439 9.968 1.00 0.00 C ATOM 0 HA VAL A 132 -20.015 6.619 9.238 1.00 0.00 H new ATOM 0 HB VAL A 132 -20.931 7.812 11.834 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -19.774 9.885 11.153 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -18.633 8.555 11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -19.033 9.015 9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -22.059 9.419 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -21.447 8.522 8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -22.594 7.747 10.045 1.00 0.00 H new ATOM 35 N ASN A 133 -18.704 6.126 12.218 1.00 0.00 N ATOM 36 CA ASN A 133 -17.480 5.749 12.901 1.00 0.00 C ATOM 37 C ASN A 133 -16.815 4.594 12.149 1.00 0.00 C ATOM 38 O ASN A 133 -15.590 4.481 12.136 1.00 0.00 O ATOM 39 CB ASN A 133 -17.768 5.280 14.329 1.00 0.00 C ATOM 40 CG ASN A 133 -19.224 4.835 14.476 1.00 0.00 C ATOM 41 OD1 ASN A 133 -20.028 5.467 15.142 1.00 0.00 O ATOM 42 ND2 ASN A 133 -19.518 3.716 13.820 1.00 0.00 N ATOM 0 H ASN A 133 -19.474 6.385 12.835 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.829 6.623 12.932 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -17.104 4.455 14.585 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -17.558 6.088 15.030 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.464 3.337 13.856 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -18.797 3.236 13.281 1.00 0.00 H new ATOM 48 N MET A 134 -17.652 3.767 11.541 1.00 0.00 N ATOM 49 CA MET A 134 -17.161 2.625 10.788 1.00 0.00 C ATOM 50 C MET A 134 -16.501 3.072 9.483 1.00 0.00 C ATOM 51 O MET A 134 -15.348 2.733 9.218 1.00 0.00 O ATOM 52 CB MET A 134 -18.324 1.682 10.474 1.00 0.00 C ATOM 53 CG MET A 134 -18.389 0.537 11.487 1.00 0.00 C ATOM 54 SD MET A 134 -16.886 -0.422 11.422 1.00 0.00 S ATOM 55 CE MET A 134 -17.435 -1.917 12.229 1.00 0.00 C ATOM 0 H MET A 134 -18.667 3.865 11.554 1.00 0.00 H new ATOM 0 HA MET A 134 -16.415 2.109 11.393 1.00 0.00 H new ATOM 0 HB2 MET A 134 -19.262 2.238 10.487 1.00 0.00 H new ATOM 0 HB3 MET A 134 -18.208 1.277 9.469 1.00 0.00 H new ATOM 0 HG2 MET A 134 -18.532 0.937 12.491 1.00 0.00 H new ATOM 0 HG3 MET A 134 -19.247 -0.101 11.273 1.00 0.00 H new ATOM 0 HE1 MET A 134 -16.612 -2.630 12.273 1.00 0.00 H new ATOM 0 HE2 MET A 134 -17.767 -1.683 13.240 1.00 0.00 H new ATOM 0 HE3 MET A 134 -18.262 -2.351 11.667 1.00 0.00 H new ATOM 63 N ASP A 135 -17.258 3.828 8.701 1.00 0.00 N ATOM 64 CA ASP A 135 -16.761 4.324 7.429 1.00 0.00 C ATOM 65 C ASP A 135 -15.415 5.017 7.649 1.00 0.00 C ATOM 66 O ASP A 135 -14.550 4.994 6.775 1.00 0.00 O ATOM 67 CB ASP A 135 -17.724 5.346 6.823 1.00 0.00 C ATOM 68 CG ASP A 135 -17.989 5.175 5.325 1.00 0.00 C ATOM 69 OD1 ASP A 135 -18.902 4.387 4.996 1.00 0.00 O ATOM 70 OD2 ASP A 135 -17.272 5.835 4.543 1.00 0.00 O ATOM 0 H ASP A 135 -18.213 4.109 8.924 1.00 0.00 H new ATOM 0 HA ASP A 135 -16.661 3.476 6.751 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -18.674 5.287 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -17.325 6.346 6.994 1.00 0.00 H new ATOM 74 N LEU A 136 -15.278 5.616 8.824 1.00 0.00 N ATOM 75 CA LEU A 136 -14.052 6.314 9.169 1.00 0.00 C ATOM 76 C LEU A 136 -12.944 5.291 9.428 1.00 0.00 C ATOM 77 O LEU A 136 -11.843 5.414 8.891 1.00 0.00 O ATOM 78 CB LEU A 136 -14.292 7.271 10.339 1.00 0.00 C ATOM 79 CG LEU A 136 -13.106 8.151 10.740 1.00 0.00 C ATOM 80 CD1 LEU A 136 -12.878 9.263 9.714 1.00 0.00 C ATOM 81 CD2 LEU A 136 -13.287 8.705 12.155 1.00 0.00 C ATOM 0 H LEU A 136 -15.996 5.632 9.548 1.00 0.00 H new ATOM 0 HA LEU A 136 -13.722 6.939 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -15.131 7.919 10.086 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -14.593 6.684 11.207 1.00 0.00 H new ATOM 0 HG LEU A 136 -12.209 7.532 10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -12.030 9.874 10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -12.672 8.822 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -13.770 9.886 9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -12.430 9.327 12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -14.196 9.304 12.198 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -13.363 7.879 12.862 1.00 0.00 H new ATOM 92 N ARG A 137 -13.272 4.306 10.250 1.00 0.00 N ATOM 93 CA ARG A 137 -12.319 3.262 10.586 1.00 0.00 C ATOM 94 C ARG A 137 -11.663 2.714 9.318 1.00 0.00 C ATOM 95 O ARG A 137 -10.438 2.724 9.193 1.00 0.00 O ATOM 96 CB ARG A 137 -12.998 2.116 11.337 1.00 0.00 C ATOM 97 CG ARG A 137 -13.702 2.626 12.596 1.00 0.00 C ATOM 98 CD ARG A 137 -13.205 1.887 13.840 1.00 0.00 C ATOM 99 NE ARG A 137 -13.856 2.436 15.049 1.00 0.00 N ATOM 100 CZ ARG A 137 -13.868 1.822 16.241 1.00 0.00 C ATOM 101 NH1 ARG A 137 -13.263 0.637 16.390 1.00 0.00 N ATOM 102 NH2 ARG A 137 -14.484 2.396 17.283 1.00 0.00 N ATOM 0 H ARG A 137 -14.185 4.208 10.694 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.559 3.703 11.231 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.721 1.627 10.684 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.256 1.365 11.610 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.524 3.695 12.709 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.779 2.491 12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.422 0.823 13.752 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -12.123 1.986 13.923 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.325 3.338 14.971 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.793 0.201 15.597 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.272 0.170 17.297 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.944 3.300 17.169 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.494 1.929 18.190 1.00 0.00 H new ATOM 113 N ALA A 138 -12.505 2.249 8.407 1.00 0.00 N ATOM 114 CA ALA A 138 -12.023 1.697 7.152 1.00 0.00 C ATOM 115 C ALA A 138 -11.397 2.815 6.316 1.00 0.00 C ATOM 116 O ALA A 138 -10.304 2.654 5.777 1.00 0.00 O ATOM 117 CB ALA A 138 -13.173 0.999 6.425 1.00 0.00 C ATOM 0 H ALA A 138 -13.519 2.243 8.513 1.00 0.00 H new ATOM 0 HA ALA A 138 -11.251 0.949 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -12.811 0.585 5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -13.563 0.195 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -13.966 1.719 6.223 1.00 0.00 H new ATOM 123 N ASN A 139 -12.119 3.924 6.235 1.00 0.00 N ATOM 124 CA ASN A 139 -11.648 5.068 5.472 1.00 0.00 C ATOM 125 C ASN A 139 -10.142 5.229 5.681 1.00 0.00 C ATOM 126 O ASN A 139 -9.406 5.506 4.734 1.00 0.00 O ATOM 127 CB ASN A 139 -12.331 6.357 5.937 1.00 0.00 C ATOM 128 CG ASN A 139 -11.587 7.589 5.417 1.00 0.00 C ATOM 129 OD1 ASN A 139 -10.764 7.516 4.519 1.00 0.00 O ATOM 130 ND2 ASN A 139 -11.924 8.721 6.028 1.00 0.00 N ATOM 0 H ASN A 139 -13.025 4.054 6.685 1.00 0.00 H new ATOM 0 HA ASN A 139 -11.882 4.894 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -13.362 6.374 5.584 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -12.366 6.382 7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -11.485 9.600 5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -12.621 8.711 6.773 1.00 0.00 H new ATOM 136 N LEU A 140 -9.726 5.051 6.927 1.00 0.00 N ATOM 137 CA LEU A 140 -8.320 5.174 7.271 1.00 0.00 C ATOM 138 C LEU A 140 -7.613 3.848 6.985 1.00 0.00 C ATOM 139 O LEU A 140 -6.459 3.834 6.558 1.00 0.00 O ATOM 140 CB LEU A 140 -8.162 5.657 8.714 1.00 0.00 C ATOM 141 CG LEU A 140 -8.163 7.173 8.917 1.00 0.00 C ATOM 142 CD1 LEU A 140 -8.928 7.556 10.185 1.00 0.00 C ATOM 143 CD2 LEU A 140 -6.737 7.727 8.918 1.00 0.00 C ATOM 0 H LEU A 140 -10.338 4.823 7.710 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.840 5.932 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -8.969 5.230 9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -7.228 5.258 9.110 1.00 0.00 H new ATOM 0 HG LEU A 140 -8.685 7.630 8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -8.913 8.639 10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -9.960 7.214 10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -8.457 7.088 11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.766 8.807 9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -6.168 7.267 9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.259 7.503 7.965 1.00 0.00 H new ATOM 172 N GLN A 142 -7.982 0.781 4.698 1.00 0.00 N ATOM 173 CA GLN A 142 -8.610 0.171 3.538 1.00 0.00 C ATOM 174 C GLN A 142 -7.739 0.371 2.297 1.00 0.00 C ATOM 175 O GLN A 142 -8.230 0.789 1.250 1.00 0.00 O ATOM 176 CB GLN A 142 -10.016 0.732 3.317 1.00 0.00 C ATOM 177 CG GLN A 142 -9.958 2.182 2.832 1.00 0.00 C ATOM 178 CD GLN A 142 -10.794 2.370 1.565 1.00 0.00 C ATOM 179 OE1 GLN A 142 -11.408 1.448 1.052 1.00 0.00 O ATOM 180 NE2 GLN A 142 -10.785 3.612 1.090 1.00 0.00 N ATOM 0 HA GLN A 142 -8.706 -0.899 3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -10.544 0.121 2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -10.583 0.678 4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -10.324 2.846 3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -8.923 2.462 2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -10.250 4.337 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -11.313 3.840 0.248 1.00 0.00 H new ATOM 187 N VAL A 143 -6.459 0.063 2.454 1.00 0.00 N ATOM 188 CA VAL A 143 -5.516 0.204 1.359 1.00 0.00 C ATOM 189 C VAL A 143 -5.331 1.688 1.037 1.00 0.00 C ATOM 190 O VAL A 143 -5.830 2.173 0.023 1.00 0.00 O ATOM 191 CB VAL A 143 -5.985 -0.616 0.155 1.00 0.00 C ATOM 192 CG1 VAL A 143 -4.983 -0.519 -0.998 1.00 0.00 C ATOM 193 CG2 VAL A 143 -6.230 -2.074 0.547 1.00 0.00 C ATOM 0 H VAL A 143 -6.054 -0.284 3.324 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.540 -0.190 1.643 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.931 -0.198 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -5.340 -1.111 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -4.879 0.522 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -4.015 -0.899 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -6.562 -2.635 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.306 -2.509 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.997 -2.119 1.320 1.00 0.00 H new ATOM 203 N LYS A 144 -4.614 2.367 1.920 1.00 0.00 N ATOM 204 CA LYS A 144 -4.358 3.787 1.742 1.00 0.00 C ATOM 205 C LYS A 144 -2.891 4.080 2.061 1.00 0.00 C ATOM 206 O LYS A 144 -2.432 3.831 3.174 1.00 0.00 O ATOM 207 CB LYS A 144 -5.343 4.616 2.568 1.00 0.00 C ATOM 208 CG LYS A 144 -5.342 4.173 4.032 1.00 0.00 C ATOM 209 CD LYS A 144 -4.606 5.185 4.912 1.00 0.00 C ATOM 210 CE LYS A 144 -5.374 6.506 4.987 1.00 0.00 C ATOM 211 NZ LYS A 144 -4.463 7.615 5.349 1.00 0.00 N ATOM 0 H LYS A 144 -4.202 1.961 2.760 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.524 4.077 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -5.078 5.671 2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -6.346 4.513 2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.368 4.060 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.866 3.196 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.479 4.776 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -3.608 5.363 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.846 6.714 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.173 6.428 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -5.000 8.504 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.032 7.422 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.716 7.699 4.630 1.00 0.00 H new ATOM 221 N LYS A 145 -2.195 4.604 1.062 1.00 0.00 N ATOM 222 CA LYS A 145 -0.789 4.934 1.222 1.00 0.00 C ATOM 223 C LYS A 145 -0.458 6.162 0.373 1.00 0.00 C ATOM 224 O LYS A 145 -1.143 6.446 -0.608 1.00 0.00 O ATOM 225 CB LYS A 145 0.085 3.717 0.910 1.00 0.00 C ATOM 226 CG LYS A 145 0.081 3.409 -0.589 1.00 0.00 C ATOM 227 CD LYS A 145 1.462 2.942 -1.056 1.00 0.00 C ATOM 228 CE LYS A 145 1.606 3.087 -2.572 1.00 0.00 C ATOM 229 NZ LYS A 145 0.467 2.443 -3.265 1.00 0.00 N ATOM 0 H LYS A 145 -2.579 4.808 0.139 1.00 0.00 H new ATOM 0 HA LYS A 145 -0.574 5.195 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 145 1.106 3.903 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.279 2.852 1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -0.659 2.638 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -0.214 4.298 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.235 3.525 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 145 1.614 1.901 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 145 1.652 4.143 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 145 2.542 2.634 -2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 0.630 2.461 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 0.379 1.457 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -0.409 2.958 -3.045 1.00 0.00 H new ATOM 239 N GLU A 146 0.593 6.858 0.782 1.00 0.00 N ATOM 240 CA GLU A 146 1.023 8.051 0.072 1.00 0.00 C ATOM 241 C GLU A 146 2.550 8.107 0.005 1.00 0.00 C ATOM 242 O GLU A 146 3.121 9.118 -0.401 1.00 0.00 O ATOM 243 CB GLU A 146 0.456 9.313 0.724 1.00 0.00 C ATOM 244 CG GLU A 146 -0.796 9.795 -0.012 1.00 0.00 C ATOM 245 CD GLU A 146 -0.530 11.118 -0.735 1.00 0.00 C ATOM 246 OE1 GLU A 146 -0.184 12.090 -0.031 1.00 0.00 O ATOM 247 OE2 GLU A 146 -0.680 11.126 -1.976 1.00 0.00 O ATOM 0 H GLU A 146 1.159 6.619 1.596 1.00 0.00 H new ATOM 0 HA GLU A 146 0.635 8.003 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.214 9.110 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 146 1.211 10.100 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.113 9.040 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -1.614 9.922 0.698 1.00 0.00 H new ATOM 252 N ASP A 147 3.170 7.008 0.411 1.00 0.00 N ATOM 253 CA ASP A 147 4.620 6.920 0.403 1.00 0.00 C ATOM 254 C ASP A 147 5.052 5.629 1.102 1.00 0.00 C ATOM 255 O ASP A 147 4.332 4.632 1.073 1.00 0.00 O ATOM 256 CB ASP A 147 5.248 8.097 1.151 1.00 0.00 C ATOM 257 CG ASP A 147 6.533 8.647 0.530 1.00 0.00 C ATOM 258 OD1 ASP A 147 7.121 7.917 -0.297 1.00 0.00 O ATOM 259 OD2 ASP A 147 6.899 9.785 0.897 1.00 0.00 O ATOM 0 H ASP A 147 2.694 6.171 0.748 1.00 0.00 H new ATOM 0 HA ASP A 147 4.953 6.935 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 147 4.517 8.903 1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 147 5.461 7.786 2.174 1.00 0.00 H new ATOM 263 N THR A 148 6.224 5.691 1.717 1.00 0.00 N ATOM 264 CA THR A 148 6.760 4.540 2.423 1.00 0.00 C ATOM 265 C THR A 148 5.953 4.270 3.694 1.00 0.00 C ATOM 266 O THR A 148 4.888 3.657 3.638 1.00 0.00 O ATOM 267 CB THR A 148 8.245 4.799 2.690 1.00 0.00 C ATOM 268 OG1 THR A 148 8.547 3.967 3.806 1.00 0.00 O ATOM 269 CG2 THR A 148 8.510 6.216 3.200 1.00 0.00 C ATOM 0 H THR A 148 6.817 6.520 1.741 1.00 0.00 H new ATOM 0 HA THR A 148 6.675 3.634 1.823 1.00 0.00 H new ATOM 0 HB THR A 148 8.813 4.631 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 148 9.492 4.071 4.046 1.00 0.00 H new ATOM 0 HG21 THR A 148 9.578 6.347 3.373 1.00 0.00 H new ATOM 0 HG22 THR A 148 8.172 6.939 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 148 7.969 6.374 4.133 1.00 0.00 H new ATOM 277 N GLU A 149 6.490 4.743 4.810 1.00 0.00 N ATOM 278 CA GLU A 149 5.832 4.560 6.092 1.00 0.00 C ATOM 279 C GLU A 149 4.314 4.665 5.931 1.00 0.00 C ATOM 280 O GLU A 149 3.574 3.805 6.405 1.00 0.00 O ATOM 281 CB GLU A 149 6.345 5.570 7.120 1.00 0.00 C ATOM 282 CG GLU A 149 6.688 6.904 6.454 1.00 0.00 C ATOM 283 CD GLU A 149 6.127 8.079 7.257 1.00 0.00 C ATOM 284 OE1 GLU A 149 4.925 8.013 7.595 1.00 0.00 O ATOM 285 OE2 GLU A 149 6.912 9.016 7.515 1.00 0.00 O ATOM 0 H GLU A 149 7.373 5.252 4.852 1.00 0.00 H new ATOM 0 HA GLU A 149 6.070 3.562 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 149 5.589 5.727 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 149 7.228 5.170 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 149 7.770 7.003 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 149 6.283 6.924 5.442 1.00 0.00 H new ATOM 290 N LYS A 150 3.896 5.728 5.258 1.00 0.00 N ATOM 291 CA LYS A 150 2.480 5.956 5.027 1.00 0.00 C ATOM 292 C LYS A 150 1.929 4.853 4.123 1.00 0.00 C ATOM 293 O LYS A 150 1.666 5.084 2.945 1.00 0.00 O ATOM 294 CB LYS A 150 2.246 7.368 4.486 1.00 0.00 C ATOM 295 CG LYS A 150 3.350 7.769 3.505 1.00 0.00 C ATOM 296 CD LYS A 150 4.393 8.658 4.187 1.00 0.00 C ATOM 297 CE LYS A 150 4.409 10.056 3.567 1.00 0.00 C ATOM 298 NZ LYS A 150 5.794 10.464 3.241 1.00 0.00 N ATOM 0 H LYS A 150 4.513 6.440 4.866 1.00 0.00 H new ATOM 0 HA LYS A 150 1.929 5.903 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 150 1.277 7.415 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.214 8.077 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 150 3.832 6.875 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.914 8.298 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 150 4.174 8.731 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 150 5.380 8.204 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 150 3.799 10.066 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.966 10.772 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 5.955 11.438 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 6.465 9.825 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 5.937 10.416 2.212 1.00 0.00 H new ATOM 308 N GLU A 151 1.772 3.675 4.709 1.00 0.00 N ATOM 309 CA GLU A 151 1.257 2.534 3.971 1.00 0.00 C ATOM 310 C GLU A 151 0.260 1.753 4.829 1.00 0.00 C ATOM 311 O GLU A 151 0.644 0.839 5.558 1.00 0.00 O ATOM 312 CB GLU A 151 2.397 1.630 3.496 1.00 0.00 C ATOM 313 CG GLU A 151 2.323 1.406 1.983 1.00 0.00 C ATOM 314 CD GLU A 151 3.641 1.790 1.307 1.00 0.00 C ATOM 315 OE1 GLU A 151 4.640 1.923 2.046 1.00 0.00 O ATOM 316 OE2 GLU A 151 3.619 1.944 0.067 1.00 0.00 O ATOM 0 H GLU A 151 1.992 3.486 5.687 1.00 0.00 H new ATOM 0 HA GLU A 151 0.736 2.902 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 151 3.355 2.080 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 151 2.346 0.671 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 151 2.096 0.360 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 151 1.509 1.997 1.564 1.00 0.00 H new ATOM 321 N LYS A 152 -1.002 2.139 4.712 1.00 0.00 N ATOM 322 CA LYS A 152 -2.058 1.487 5.468 1.00 0.00 C ATOM 323 C LYS A 152 -2.510 0.230 4.722 1.00 0.00 C ATOM 324 O LYS A 152 -3.244 0.318 3.738 1.00 0.00 O ATOM 325 CB LYS A 152 -3.192 2.470 5.762 1.00 0.00 C ATOM 326 CG LYS A 152 -3.180 2.900 7.230 1.00 0.00 C ATOM 327 CD LYS A 152 -2.146 4.002 7.470 1.00 0.00 C ATOM 328 CE LYS A 152 -0.803 3.410 7.904 1.00 0.00 C ATOM 329 NZ LYS A 152 -0.172 4.259 8.939 1.00 0.00 N ATOM 0 H LYS A 152 -1.317 2.895 4.105 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.688 1.165 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -3.093 3.347 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -4.150 2.008 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -4.170 3.256 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -2.955 2.041 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -2.013 4.585 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -2.510 4.687 8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -0.952 2.403 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -0.141 3.325 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 0.738 3.843 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -0.012 5.213 8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -0.798 4.319 9.768 1.00 0.00 H new ATOM 339 N ASP A 153 -2.055 -0.910 5.218 1.00 0.00 N ATOM 340 CA ASP A 153 -2.403 -2.184 4.611 1.00 0.00 C ATOM 341 C ASP A 153 -3.398 -2.919 5.514 1.00 0.00 C ATOM 342 O ASP A 153 -3.322 -2.818 6.737 1.00 0.00 O ATOM 343 CB ASP A 153 -1.169 -3.071 4.446 1.00 0.00 C ATOM 344 CG ASP A 153 -0.871 -3.992 5.631 1.00 0.00 C ATOM 345 OD1 ASP A 153 -1.145 -3.558 6.770 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.377 -5.110 5.369 1.00 0.00 O ATOM 0 H ASP A 153 -1.447 -0.979 6.034 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.836 -1.984 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.297 -3.683 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.302 -2.433 4.274 1.00 0.00 H new ATOM 350 N LEU A 154 -4.305 -3.642 4.875 1.00 0.00 N ATOM 351 CA LEU A 154 -5.312 -4.394 5.604 1.00 0.00 C ATOM 352 C LEU A 154 -5.594 -5.706 4.870 1.00 0.00 C ATOM 353 O LEU A 154 -4.910 -6.041 3.904 1.00 0.00 O ATOM 354 CB LEU A 154 -6.559 -3.537 5.833 1.00 0.00 C ATOM 355 CG LEU A 154 -6.655 -2.257 5.001 1.00 0.00 C ATOM 356 CD1 LEU A 154 -5.617 -1.229 5.453 1.00 0.00 C ATOM 357 CD2 LEU A 154 -6.544 -2.564 3.506 1.00 0.00 C ATOM 0 H LEU A 154 -4.364 -3.723 3.860 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.947 -4.656 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.438 -4.148 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -6.600 -3.265 6.888 1.00 0.00 H new ATOM 0 HG LEU A 154 -7.638 -1.816 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.708 -0.329 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -5.786 -0.978 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -4.617 -1.646 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -6.615 -1.637 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -5.585 -3.041 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.352 -3.233 3.211 1.00 0.00 H new ATOM 368 N ARG A 155 -6.603 -6.413 5.356 1.00 0.00 N ATOM 369 CA ARG A 155 -6.984 -7.682 4.758 1.00 0.00 C ATOM 370 C ARG A 155 -6.936 -7.585 3.232 1.00 0.00 C ATOM 371 O ARG A 155 -6.511 -8.523 2.559 1.00 0.00 O ATOM 372 CB ARG A 155 -8.392 -8.095 5.191 1.00 0.00 C ATOM 373 CG ARG A 155 -9.277 -6.868 5.421 1.00 0.00 C ATOM 374 CD ARG A 155 -9.432 -6.577 6.915 1.00 0.00 C ATOM 375 NE ARG A 155 -10.767 -7.019 7.380 1.00 0.00 N ATOM 376 CZ ARG A 155 -11.110 -7.140 8.670 1.00 0.00 C ATOM 377 NH1 ARG A 155 -10.221 -6.852 9.631 1.00 0.00 N ATOM 378 NH2 ARG A 155 -12.343 -7.547 8.999 1.00 0.00 N ATOM 0 H ARG A 155 -7.169 -6.132 6.157 1.00 0.00 H new ATOM 0 HA ARG A 155 -6.275 -8.436 5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -8.839 -8.732 4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -8.337 -8.685 6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -8.842 -6.002 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -10.258 -7.034 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -8.653 -7.092 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -9.307 -5.510 7.101 1.00 0.00 H new ATOM 0 HE ARG A 155 -11.469 -7.245 6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -9.283 -6.540 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -10.483 -6.944 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -13.020 -7.765 8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -12.605 -7.639 9.981 1.00 0.00 H new ATOM 389 N ASP A 156 -7.378 -6.441 2.730 1.00 0.00 N ATOM 390 CA ASP A 156 -7.391 -6.209 1.295 1.00 0.00 C ATOM 391 C ASP A 156 -5.953 -6.158 0.777 1.00 0.00 C ATOM 392 O ASP A 156 -5.725 -6.016 -0.423 1.00 0.00 O ATOM 393 CB ASP A 156 -8.063 -4.877 0.958 1.00 0.00 C ATOM 394 CG ASP A 156 -8.324 -4.641 -0.530 1.00 0.00 C ATOM 395 OD1 ASP A 156 -7.337 -4.352 -1.240 1.00 0.00 O ATOM 396 OD2 ASP A 156 -9.504 -4.755 -0.924 1.00 0.00 O ATOM 0 H ASP A 156 -7.730 -5.665 3.291 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.947 -7.022 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -9.012 -4.822 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.438 -4.067 1.334 1.00 0.00 H new ATOM 400 N VAL A 157 -5.018 -6.275 1.710 1.00 0.00 N ATOM 401 CA VAL A 157 -3.608 -6.243 1.363 1.00 0.00 C ATOM 402 C VAL A 157 -3.395 -6.982 0.040 1.00 0.00 C ATOM 403 O VAL A 157 -3.127 -6.360 -0.986 1.00 0.00 O ATOM 404 CB VAL A 157 -2.774 -6.819 2.510 1.00 0.00 C ATOM 405 CG1 VAL A 157 -2.452 -5.742 3.548 1.00 0.00 C ATOM 406 CG2 VAL A 157 -3.481 -8.011 3.158 1.00 0.00 C ATOM 0 H VAL A 157 -5.210 -6.392 2.705 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.274 -5.216 1.219 1.00 0.00 H new ATOM 0 HB VAL A 157 -1.832 -7.175 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -1.859 -6.177 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.888 -4.938 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -3.380 -5.342 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -2.867 -8.401 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -4.445 -7.691 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -3.636 -8.791 2.413 1.00 0.00 H new ATOM 416 N GLY A 158 -3.524 -8.299 0.108 1.00 0.00 N ATOM 417 CA GLY A 158 -3.348 -9.129 -1.072 1.00 0.00 C ATOM 418 C GLY A 158 -2.139 -8.672 -1.890 1.00 0.00 C ATOM 419 O GLY A 158 -1.052 -8.482 -1.345 1.00 0.00 O ATOM 0 H GLY A 158 -3.748 -8.812 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.217 -10.169 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -4.246 -9.085 -1.689 1.00 0.00 H new ATOM 423 N ASP A 159 -2.367 -8.509 -3.184 1.00 0.00 N ATOM 424 CA ASP A 159 -1.310 -8.078 -4.083 1.00 0.00 C ATOM 425 C ASP A 159 -0.953 -6.621 -3.782 1.00 0.00 C ATOM 426 O ASP A 159 0.219 -6.285 -3.624 1.00 0.00 O ATOM 427 CB ASP A 159 -1.759 -8.162 -5.543 1.00 0.00 C ATOM 428 CG ASP A 159 -3.095 -7.481 -5.849 1.00 0.00 C ATOM 429 OD1 ASP A 159 -4.134 -8.101 -5.533 1.00 0.00 O ATOM 430 OD2 ASP A 159 -3.047 -6.357 -6.393 1.00 0.00 O ATOM 0 H ASP A 159 -3.269 -8.668 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.452 -8.733 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -0.988 -7.715 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -1.831 -9.212 -5.826 1.00 0.00 H new ATOM 434 N TRP A 160 -1.987 -5.795 -3.710 1.00 0.00 N ATOM 435 CA TRP A 160 -1.797 -4.381 -3.431 1.00 0.00 C ATOM 436 C TRP A 160 -0.679 -4.250 -2.394 1.00 0.00 C ATOM 437 O TRP A 160 0.341 -3.613 -2.654 1.00 0.00 O ATOM 438 CB TRP A 160 -3.107 -3.730 -2.982 1.00 0.00 C ATOM 439 CG TRP A 160 -3.063 -3.155 -1.566 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.596 -3.669 -0.448 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.426 -1.926 -1.155 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.350 -2.865 0.646 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.617 -1.771 0.202 1.00 0.00 C ATOM 444 CE3 TRP A 160 -1.713 -0.976 -1.909 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.126 -0.678 0.926 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.229 0.111 -1.171 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.413 0.281 0.197 1.00 0.00 C ATOM 0 H TRP A 160 -2.958 -6.078 -3.840 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.500 -3.846 -4.333 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.362 -2.932 -3.679 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.906 -4.469 -3.038 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -4.149 -4.596 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -3.651 -3.041 1.605 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.552 -1.077 -2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.288 -0.580 1.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -0.674 0.871 -1.701 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.007 1.149 0.695 1.00 0.00 H new ATOM 457 N ARG A 161 -0.909 -4.863 -1.242 1.00 0.00 N ATOM 458 CA ARG A 161 0.067 -4.823 -0.166 1.00 0.00 C ATOM 459 C ARG A 161 1.397 -5.415 -0.633 1.00 0.00 C ATOM 460 O ARG A 161 2.367 -4.686 -0.836 1.00 0.00 O ATOM 461 CB ARG A 161 -0.429 -5.600 1.055 1.00 0.00 C ATOM 462 CG ARG A 161 0.564 -5.492 2.213 1.00 0.00 C ATOM 463 CD ARG A 161 0.734 -6.839 2.918 1.00 0.00 C ATOM 464 NE ARG A 161 1.346 -7.820 1.994 1.00 0.00 N ATOM 465 CZ ARG A 161 1.673 -9.074 2.337 1.00 0.00 C ATOM 466 NH1 ARG A 161 1.448 -9.508 3.586 1.00 0.00 N ATOM 467 NH2 ARG A 161 2.224 -9.895 1.433 1.00 0.00 N ATOM 0 H ARG A 161 -1.756 -5.390 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 161 0.209 -3.779 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.400 -5.214 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -0.572 -6.648 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 161 1.529 -5.149 1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 161 0.216 -4.745 2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 161 1.360 -6.720 3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -0.234 -7.204 3.260 1.00 0.00 H new ATOM 0 HE ARG A 161 1.531 -7.523 1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 161 1.028 -8.884 4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 161 1.697 -10.462 3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 161 2.395 -9.566 0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 161 2.472 -10.849 1.695 1.00 0.00 H new ATOM 478 N LYS A 162 1.401 -6.731 -0.791 1.00 0.00 N ATOM 479 CA LYS A 162 2.598 -7.428 -1.230 1.00 0.00 C ATOM 480 C LYS A 162 3.515 -6.447 -1.962 1.00 0.00 C ATOM 481 O LYS A 162 4.687 -6.311 -1.616 1.00 0.00 O ATOM 482 CB LYS A 162 2.225 -8.659 -2.060 1.00 0.00 C ATOM 483 CG LYS A 162 3.325 -8.991 -3.071 1.00 0.00 C ATOM 484 CD LYS A 162 4.540 -9.608 -2.376 1.00 0.00 C ATOM 485 CE LYS A 162 5.213 -10.650 -3.272 1.00 0.00 C ATOM 486 NZ LYS A 162 6.599 -10.239 -3.594 1.00 0.00 N ATOM 0 H LYS A 162 0.595 -7.332 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 162 3.156 -7.806 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.063 -9.511 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 162 1.287 -8.478 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 162 2.939 -9.683 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.624 -8.085 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 162 5.255 -8.825 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.231 -10.073 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 162 5.221 -11.618 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 162 4.641 -10.772 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.041 -10.957 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.584 -9.326 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.147 -10.146 -2.715 1.00 0.00 H new ATOM 496 N ASN A 163 2.947 -5.787 -2.961 1.00 0.00 N ATOM 497 CA ASN A 163 3.699 -4.823 -3.745 1.00 0.00 C ATOM 498 C ASN A 163 4.322 -3.786 -2.808 1.00 0.00 C ATOM 499 O ASN A 163 5.544 -3.700 -2.696 1.00 0.00 O ATOM 500 CB ASN A 163 2.791 -4.085 -4.730 1.00 0.00 C ATOM 501 CG ASN A 163 2.518 -4.939 -5.970 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.292 -5.805 -6.341 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.377 -4.646 -6.588 1.00 0.00 N ATOM 0 H ASN A 163 1.974 -5.901 -3.245 1.00 0.00 H new ATOM 0 HA ASN A 163 4.466 -5.364 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.849 -3.833 -4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 163 3.258 -3.146 -5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 163 1.105 -5.159 -7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.775 -3.908 -6.224 1.00 0.00 H new ATOM 509 N ILE A 164 3.454 -3.024 -2.160 1.00 0.00 N ATOM 510 CA ILE A 164 3.903 -1.995 -1.236 1.00 0.00 C ATOM 511 C ILE A 164 4.354 -2.652 0.069 1.00 0.00 C ATOM 512 O ILE A 164 4.673 -1.962 1.037 1.00 0.00 O ATOM 513 CB ILE A 164 2.819 -0.933 -1.049 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.546 -1.546 -0.462 1.00 0.00 C ATOM 515 CG2 ILE A 164 2.547 -0.190 -2.359 1.00 0.00 C ATOM 516 CD1 ILE A 164 1.804 -2.111 0.937 1.00 0.00 C ATOM 0 H ILE A 164 2.441 -3.098 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 164 4.766 -1.467 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 164 3.182 -0.197 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.763 -0.790 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 164 1.184 -2.338 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 164 1.772 0.560 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 164 3.461 0.299 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 164 2.214 -0.899 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.883 -2.541 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 164 2.570 -2.884 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 164 2.142 -1.311 1.596 1.00 0.00 H new ATOM 527 N GLU A 165 4.368 -3.977 0.055 1.00 0.00 N ATOM 528 CA GLU A 165 4.775 -4.733 1.227 1.00 0.00 C ATOM 529 C GLU A 165 6.296 -4.882 1.260 1.00 0.00 C ATOM 530 O GLU A 165 6.918 -4.706 2.308 1.00 0.00 O ATOM 531 CB GLU A 165 4.089 -6.101 1.261 1.00 0.00 C ATOM 532 CG GLU A 165 4.198 -6.734 2.650 1.00 0.00 C ATOM 533 CD GLU A 165 3.864 -5.716 3.745 1.00 0.00 C ATOM 534 OE1 GLU A 165 2.891 -4.960 3.537 1.00 0.00 O ATOM 535 OE2 GLU A 165 4.589 -5.719 4.762 1.00 0.00 O ATOM 0 H GLU A 165 4.104 -4.546 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 165 4.464 -4.184 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 165 3.039 -5.992 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.544 -6.759 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 165 3.520 -7.585 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 165 5.207 -7.118 2.801 1.00 0.00 H new ATOM 540 N GLU A 166 6.854 -5.204 0.103 1.00 0.00 N ATOM 541 CA GLU A 166 8.292 -5.377 -0.013 1.00 0.00 C ATOM 542 C GLU A 166 8.926 -4.142 -0.658 1.00 0.00 C ATOM 543 O GLU A 166 9.947 -3.647 -0.186 1.00 0.00 O ATOM 544 CB GLU A 166 8.629 -6.642 -0.805 1.00 0.00 C ATOM 545 CG GLU A 166 9.996 -6.519 -1.480 1.00 0.00 C ATOM 546 CD GLU A 166 10.643 -7.894 -1.664 1.00 0.00 C ATOM 547 OE1 GLU A 166 11.001 -8.496 -0.629 1.00 0.00 O ATOM 548 OE2 GLU A 166 10.763 -8.311 -2.836 1.00 0.00 O ATOM 0 H GLU A 166 6.336 -5.350 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 166 8.706 -5.493 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.625 -7.504 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.862 -6.818 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 166 9.884 -6.033 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 166 10.647 -5.885 -0.878 1.00 0.00 H new ATOM 553 N LYS A 167 8.293 -3.682 -1.727 1.00 0.00 N ATOM 554 CA LYS A 167 8.782 -2.514 -2.441 1.00 0.00 C ATOM 555 C LYS A 167 8.632 -1.279 -1.551 1.00 0.00 C ATOM 556 O LYS A 167 9.140 -0.208 -1.881 1.00 0.00 O ATOM 557 CB LYS A 167 8.084 -2.385 -3.797 1.00 0.00 C ATOM 558 CG LYS A 167 6.777 -1.599 -3.668 1.00 0.00 C ATOM 559 CD LYS A 167 6.907 -0.211 -4.298 1.00 0.00 C ATOM 560 CE LYS A 167 6.721 0.887 -3.248 1.00 0.00 C ATOM 561 NZ LYS A 167 5.285 1.214 -3.090 1.00 0.00 N ATOM 0 H LYS A 167 7.446 -4.096 -2.116 1.00 0.00 H new ATOM 0 HA LYS A 167 9.844 -2.619 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 167 8.745 -1.885 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 167 7.878 -3.377 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 167 5.969 -2.148 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.510 -1.501 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 167 7.886 -0.110 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 167 6.164 -0.095 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 167 7.133 0.559 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 167 7.273 1.779 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 5.138 2.228 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 4.726 0.657 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 4.982 0.987 -2.121 1.00 0.00 H new ATOM 571 N SER A 168 7.934 -1.468 -0.442 1.00 0.00 N ATOM 572 CA SER A 168 7.711 -0.382 0.497 1.00 0.00 C ATOM 573 C SER A 168 7.926 -0.876 1.929 1.00 0.00 C ATOM 574 O SER A 168 6.979 -1.294 2.593 1.00 0.00 O ATOM 575 CB SER A 168 6.306 0.202 0.342 1.00 0.00 C ATOM 576 OG SER A 168 6.328 1.497 -0.253 1.00 0.00 O ATOM 0 H SER A 168 7.515 -2.358 -0.172 1.00 0.00 H new ATOM 0 HA SER A 168 8.429 0.409 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 168 5.701 -0.467 -0.269 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.828 0.260 1.320 1.00 0.00 H new ATOM 0 HG SER A 168 5.409 1.813 -0.383 1.00 0.00 H new ATOM 581 N GLY A 169 9.177 -0.812 2.363 1.00 0.00 N ATOM 582 CA GLY A 169 9.527 -1.248 3.703 1.00 0.00 C ATOM 583 C GLY A 169 11.012 -1.607 3.792 1.00 0.00 C ATOM 584 O GLY A 169 11.768 -0.962 4.515 1.00 0.00 O ATOM 0 H GLY A 169 9.960 -0.465 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 169 9.297 -0.458 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 169 8.923 -2.113 3.977 1.00 0.00 H new