USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 320 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 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 169 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -13! C(o=-13!,f=-13!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot -58:sc= 0.668 USER MOD Single : A 159 THR OG1 : rot 41:sc= 0.709 USER MOD Single : A 165 LYS NZ :NH3+ -130:sc= 0.319 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 131 -3.819 5.615 -2.623 1.00 0.00 N ATOM 71 CA LEU A 131 -2.703 5.530 -1.696 1.00 0.00 C ATOM 72 C LEU A 131 -2.938 6.415 -0.474 1.00 0.00 C ATOM 73 O LEU A 131 -3.396 7.550 -0.597 1.00 0.00 O ATOM 74 CB LEU A 131 -1.413 5.944 -2.402 1.00 0.00 C ATOM 75 CG LEU A 131 -0.890 4.944 -3.436 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.792 3.551 -2.833 1.00 0.00 C ATOM 77 CD2 LEU A 131 -1.785 4.933 -4.665 1.00 0.00 C ATOM 0 HA LEU A 131 -2.615 4.498 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.579 6.901 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.640 6.103 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 131 0.109 5.255 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.418 2.855 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.109 3.569 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.778 3.229 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.399 4.217 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.796 4.647 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.802 5.927 -5.111 1.00 0.00 H new ATOM 89 N SER A 132 -2.622 5.885 0.703 1.00 0.00 N ATOM 90 CA SER A 132 -2.798 6.626 1.948 1.00 0.00 C ATOM 91 C SER A 132 -1.590 7.522 2.224 1.00 0.00 C ATOM 92 O SER A 132 -0.548 7.382 1.585 1.00 0.00 O ATOM 93 CB SER A 132 -3.012 5.658 3.113 1.00 0.00 C ATOM 94 OG SER A 132 -4.389 5.531 3.425 1.00 0.00 O ATOM 0 H SER A 132 -2.243 4.946 0.821 1.00 0.00 H new ATOM 0 HA SER A 132 -3.679 7.260 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.602 4.681 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.469 6.013 3.989 1.00 0.00 H new ATOM 0 HG SER A 132 -4.499 4.906 4.172 1.00 0.00 H new ATOM 100 N PRO A 133 -1.717 8.463 3.177 1.00 0.00 N ATOM 101 CA PRO A 133 -0.629 9.387 3.525 1.00 0.00 C ATOM 102 C PRO A 133 0.605 8.670 4.067 1.00 0.00 C ATOM 103 O PRO A 133 1.705 8.828 3.539 1.00 0.00 O ATOM 104 CB PRO A 133 -1.244 10.285 4.605 1.00 0.00 C ATOM 105 CG PRO A 133 -2.407 9.519 5.135 1.00 0.00 C ATOM 106 CD PRO A 133 -2.925 8.705 3.984 1.00 0.00 C ATOM 0 HA PRO A 133 -0.275 9.932 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.523 10.502 5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.559 11.242 4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.107 8.877 5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -3.176 10.191 5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.378 7.773 4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.686 9.244 3.419 1.00 0.00 H new ATOM 114 N ALA A 134 0.419 7.885 5.123 1.00 0.00 N ATOM 115 CA ALA A 134 1.522 7.151 5.731 1.00 0.00 C ATOM 116 C ALA A 134 2.035 6.059 4.799 1.00 0.00 C ATOM 117 O ALA A 134 3.243 5.929 4.573 1.00 0.00 O ATOM 118 CB ALA A 134 1.088 6.552 7.061 1.00 0.00 C ATOM 0 H ALA A 134 -0.484 7.741 5.575 1.00 0.00 H new ATOM 0 HA ALA A 134 2.337 7.852 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.922 6.007 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.777 7.350 7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.254 5.870 6.898 1.00 0.00 H new ATOM 124 N ILE A 135 1.113 5.276 4.251 1.00 0.00 N ATOM 125 CA ILE A 135 1.487 4.205 3.343 1.00 0.00 C ATOM 126 C ILE A 135 2.257 4.761 2.154 1.00 0.00 C ATOM 127 O ILE A 135 3.244 4.175 1.728 1.00 0.00 O ATOM 128 CB ILE A 135 0.262 3.412 2.839 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.346 2.595 3.985 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.658 2.494 1.685 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.193 3.412 4.934 1.00 0.00 C ATOM 0 H ILE A 135 0.111 5.363 4.419 1.00 0.00 H new ATOM 0 HA ILE A 135 2.121 3.520 3.905 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.485 4.118 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.956 1.795 3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.458 2.121 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.217 1.943 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.055 3.092 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.420 1.792 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.588 2.765 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -0.583 4.195 5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -2.019 3.865 4.386 1.00 0.00 H new ATOM 143 N ARG A 136 1.812 5.897 1.623 1.00 0.00 N ATOM 144 CA ARG A 136 2.492 6.511 0.486 1.00 0.00 C ATOM 145 C ARG A 136 3.984 6.612 0.769 1.00 0.00 C ATOM 146 O ARG A 136 4.813 6.373 -0.109 1.00 0.00 O ATOM 147 CB ARG A 136 1.913 7.896 0.187 1.00 0.00 C ATOM 148 CG ARG A 136 0.910 7.902 -0.956 1.00 0.00 C ATOM 149 CD ARG A 136 0.830 9.269 -1.619 1.00 0.00 C ATOM 150 NE ARG A 136 0.321 9.186 -2.986 1.00 0.00 N ATOM 151 CZ ARG A 136 -0.196 10.218 -3.649 1.00 0.00 C ATOM 152 NH1 ARG A 136 -0.270 11.414 -3.078 1.00 0.00 N ATOM 153 NH2 ARG A 136 -0.638 10.056 -4.889 1.00 0.00 N ATOM 0 H ARG A 136 0.994 6.406 1.957 1.00 0.00 H new ATOM 0 HA ARG A 136 2.337 5.883 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.430 8.280 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.729 8.578 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.195 7.154 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.074 7.620 -0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.183 9.920 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.820 9.726 -1.628 1.00 0.00 H new ATOM 0 HE ARG A 136 0.364 8.284 -3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.070 11.546 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.667 12.201 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.582 9.140 -5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.034 10.847 -5.397 1.00 0.00 H new ATOM 167 N ARG A 137 4.314 6.931 2.014 1.00 0.00 N ATOM 168 CA ARG A 137 5.703 7.021 2.426 1.00 0.00 C ATOM 169 C ARG A 137 6.310 5.628 2.421 1.00 0.00 C ATOM 170 O ARG A 137 7.439 5.425 1.969 1.00 0.00 O ATOM 171 CB ARG A 137 5.810 7.639 3.822 1.00 0.00 C ATOM 172 CG ARG A 137 7.189 8.195 4.138 1.00 0.00 C ATOM 173 CD ARG A 137 7.343 8.499 5.621 1.00 0.00 C ATOM 174 NE ARG A 137 8.345 7.645 6.253 1.00 0.00 N ATOM 175 CZ ARG A 137 8.630 7.674 7.553 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.992 8.511 8.361 1.00 0.00 N ATOM 177 NH2 ARG A 137 9.556 6.863 8.047 1.00 0.00 N ATOM 0 H ARG A 137 3.639 7.131 2.752 1.00 0.00 H new ATOM 0 HA ARG A 137 6.246 7.661 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.075 8.439 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.553 6.884 4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.950 7.477 3.832 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.357 9.104 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.624 9.544 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.384 8.363 6.121 1.00 0.00 H new ATOM 0 HE ARG A 137 8.856 6.988 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.279 9.137 7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.215 8.529 9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 137 10.050 6.217 7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 137 9.774 6.885 9.043 1.00 0.00 H new ATOM 191 N LEU A 138 5.539 4.662 2.918 1.00 0.00 N ATOM 192 CA LEU A 138 5.987 3.275 2.962 1.00 0.00 C ATOM 193 C LEU A 138 6.298 2.762 1.556 1.00 0.00 C ATOM 194 O LEU A 138 7.394 2.268 1.296 1.00 0.00 O ATOM 195 CB LEU A 138 4.920 2.393 3.614 1.00 0.00 C ATOM 196 CG LEU A 138 5.289 0.912 3.724 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.442 0.720 4.696 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.083 0.094 4.159 1.00 0.00 C ATOM 0 H LEU A 138 4.604 4.816 3.295 1.00 0.00 H new ATOM 0 HA LEU A 138 6.898 3.230 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.713 2.776 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.997 2.481 3.041 1.00 0.00 H new ATOM 0 HG LEU A 138 5.606 0.562 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.690 -0.339 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.311 1.275 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.152 1.086 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.363 -0.957 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.736 0.446 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.284 0.206 3.426 1.00 0.00 H new ATOM 210 N LEU A 139 5.337 2.901 0.645 1.00 0.00 N ATOM 211 CA LEU A 139 5.524 2.467 -0.734 1.00 0.00 C ATOM 212 C LEU A 139 6.727 3.173 -1.334 1.00 0.00 C ATOM 213 O LEU A 139 7.496 2.589 -2.097 1.00 0.00 O ATOM 214 CB LEU A 139 4.278 2.778 -1.560 1.00 0.00 C ATOM 215 CG LEU A 139 3.077 1.870 -1.295 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.783 2.579 -1.661 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.212 0.569 -2.071 1.00 0.00 C ATOM 0 H LEU A 139 4.423 3.310 0.838 1.00 0.00 H new ATOM 0 HA LEU A 139 5.693 1.390 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.983 3.809 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.537 2.712 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 139 3.050 1.634 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.938 1.918 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.682 3.484 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.800 2.844 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.349 -0.065 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.263 0.785 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.121 0.053 -1.761 1.00 0.00 H new ATOM 229 N ALA A 140 6.878 4.436 -0.968 1.00 0.00 N ATOM 230 CA ALA A 140 7.986 5.249 -1.446 1.00 0.00 C ATOM 231 C ALA A 140 9.315 4.723 -0.916 1.00 0.00 C ATOM 232 O ALA A 140 10.352 4.867 -1.562 1.00 0.00 O ATOM 233 CB ALA A 140 7.790 6.701 -1.039 1.00 0.00 C ATOM 0 H ALA A 140 6.242 4.924 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 140 8.007 5.190 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.627 7.297 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.862 7.077 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.741 6.771 0.048 1.00 0.00 H new ATOM 239 N GLU A 141 9.280 4.110 0.267 1.00 0.00 N ATOM 240 CA GLU A 141 10.471 3.566 0.880 1.00 0.00 C ATOM 241 C GLU A 141 10.834 2.233 0.232 1.00 0.00 C ATOM 242 O GLU A 141 11.980 2.001 -0.152 1.00 0.00 O ATOM 243 CB GLU A 141 10.226 3.397 2.385 1.00 0.00 C ATOM 244 CG GLU A 141 10.456 1.992 2.886 1.00 0.00 C ATOM 245 CD GLU A 141 10.294 1.869 4.388 1.00 0.00 C ATOM 246 OE1 GLU A 141 9.641 2.749 4.989 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.820 0.894 4.964 1.00 0.00 O ATOM 0 H GLU A 141 8.430 3.982 0.815 1.00 0.00 H new ATOM 0 HA GLU A 141 11.308 4.248 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 141 10.880 4.078 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.201 3.690 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.756 1.317 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 141 11.459 1.671 2.606 1.00 0.00 H new ATOM 254 N HIS A 142 9.837 1.365 0.121 1.00 0.00 N ATOM 255 CA HIS A 142 10.020 0.048 -0.475 1.00 0.00 C ATOM 256 C HIS A 142 10.109 0.143 -1.997 1.00 0.00 C ATOM 257 O HIS A 142 10.594 -0.775 -2.657 1.00 0.00 O ATOM 258 CB HIS A 142 8.863 -0.874 -0.079 1.00 0.00 C ATOM 259 CG HIS A 142 8.794 -1.165 1.390 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.202 -2.364 1.936 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.352 -0.412 2.428 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.012 -2.337 3.243 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.498 -1.166 3.567 1.00 0.00 N ATOM 0 H HIS A 142 8.886 1.552 0.439 1.00 0.00 H new ATOM 0 HA HIS A 142 10.956 -0.366 -0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.924 -0.418 -0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.959 -1.814 -0.622 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.590 -3.149 1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.959 0.592 2.370 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.239 -3.138 3.930 1.00 0.00 H new ATOM 272 N ASN A 143 9.630 1.257 -2.549 1.00 0.00 N ATOM 273 CA ASN A 143 9.649 1.469 -3.992 1.00 0.00 C ATOM 274 C ASN A 143 8.688 0.511 -4.689 1.00 0.00 C ATOM 275 O ASN A 143 9.104 -0.349 -5.465 1.00 0.00 O ATOM 276 CB ASN A 143 11.067 1.286 -4.543 1.00 0.00 C ATOM 277 CG ASN A 143 11.268 2.000 -5.866 1.00 0.00 C ATOM 278 OD1 ASN A 143 11.301 1.373 -6.924 1.00 0.00 O ATOM 279 ND2 ASN A 143 11.404 3.319 -5.811 1.00 0.00 N ATOM 0 H ASN A 143 9.224 2.026 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 143 9.326 2.491 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.788 1.662 -3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.270 0.223 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 143 11.542 3.854 -6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.370 3.798 -4.911 1.00 0.00 H new ATOM 286 N LEU A 144 7.398 0.665 -4.402 1.00 0.00 N ATOM 287 CA LEU A 144 6.376 -0.188 -4.999 1.00 0.00 C ATOM 288 C LEU A 144 5.288 0.638 -5.671 1.00 0.00 C ATOM 289 O LEU A 144 5.300 1.868 -5.622 1.00 0.00 O ATOM 290 CB LEU A 144 5.746 -1.090 -3.937 1.00 0.00 C ATOM 291 CG LEU A 144 6.735 -1.771 -2.995 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.007 -2.394 -1.814 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.536 -2.824 -3.747 1.00 0.00 C ATOM 0 H LEU A 144 7.037 1.371 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 144 6.863 -0.802 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.053 -0.495 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.158 -1.859 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 144 7.424 -1.019 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.729 -2.875 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.474 -1.618 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.296 -3.137 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.238 -3.303 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 144 6.858 -3.574 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.086 -2.351 -4.560 1.00 0.00 H new ATOM 305 N ASP A 145 4.340 -0.057 -6.290 1.00 0.00 N ATOM 306 CA ASP A 145 3.226 0.593 -6.968 1.00 0.00 C ATOM 307 C ASP A 145 1.900 0.062 -6.437 1.00 0.00 C ATOM 308 O ASP A 145 1.696 -1.149 -6.352 1.00 0.00 O ATOM 309 CB ASP A 145 3.316 0.368 -8.478 1.00 0.00 C ATOM 310 CG ASP A 145 2.381 1.273 -9.255 1.00 0.00 C ATOM 311 OD1 ASP A 145 1.153 1.185 -9.039 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.875 2.070 -10.079 1.00 0.00 O ATOM 0 H ASP A 145 4.322 -1.076 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 145 3.279 1.664 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.341 0.540 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.080 -0.672 -8.702 1.00 0.00 H new ATOM 317 N ALA A 146 1.002 0.972 -6.074 1.00 0.00 N ATOM 318 CA ALA A 146 -0.303 0.590 -5.545 1.00 0.00 C ATOM 319 C ALA A 146 -0.980 -0.452 -6.429 1.00 0.00 C ATOM 320 O ALA A 146 -1.577 -1.409 -5.934 1.00 0.00 O ATOM 321 CB ALA A 146 -1.191 1.817 -5.399 1.00 0.00 C ATOM 0 H ALA A 146 1.154 1.979 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.149 0.143 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.162 1.519 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.723 2.526 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.325 2.287 -6.373 1.00 0.00 H new ATOM 327 N SER A 147 -0.881 -0.263 -7.740 1.00 0.00 N ATOM 328 CA SER A 147 -1.482 -1.187 -8.694 1.00 0.00 C ATOM 329 C SER A 147 -0.818 -2.562 -8.626 1.00 0.00 C ATOM 330 O SER A 147 -1.361 -3.546 -9.128 1.00 0.00 O ATOM 331 CB SER A 147 -1.373 -0.628 -10.114 1.00 0.00 C ATOM 332 OG SER A 147 -2.521 0.131 -10.453 1.00 0.00 O ATOM 0 H SER A 147 -0.390 0.523 -8.167 1.00 0.00 H new ATOM 0 HA SER A 147 -2.534 -1.301 -8.431 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.483 -0.003 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 147 -1.253 -1.448 -10.823 1.00 0.00 H new ATOM 0 HG SER A 147 -2.426 0.479 -11.364 1.00 0.00 H new ATOM 338 N ALA A 148 0.359 -2.627 -8.007 1.00 0.00 N ATOM 339 CA ALA A 148 1.087 -3.885 -7.885 1.00 0.00 C ATOM 340 C ALA A 148 0.956 -4.481 -6.484 1.00 0.00 C ATOM 341 O ALA A 148 1.699 -5.392 -6.120 1.00 0.00 O ATOM 342 CB ALA A 148 2.554 -3.679 -8.234 1.00 0.00 C ATOM 0 H ALA A 148 0.826 -1.825 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 148 0.646 -4.592 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.087 -4.625 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.637 -3.317 -9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.990 -2.947 -7.554 1.00 0.00 H new ATOM 348 N ILE A 149 0.008 -3.970 -5.702 1.00 0.00 N ATOM 349 CA ILE A 149 -0.209 -4.466 -4.346 1.00 0.00 C ATOM 350 C ILE A 149 -1.676 -4.336 -3.946 1.00 0.00 C ATOM 351 O ILE A 149 -2.395 -3.476 -4.456 1.00 0.00 O ATOM 352 CB ILE A 149 0.669 -3.723 -3.314 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.039 -3.392 -3.920 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.823 -4.562 -2.050 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.024 -2.807 -2.930 1.00 0.00 C ATOM 0 H ILE A 149 -0.619 -3.216 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 149 0.075 -5.518 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 149 0.180 -2.787 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.465 -4.300 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.902 -2.687 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.444 -4.027 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.159 -4.747 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.294 -5.513 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.968 -2.600 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.621 -1.881 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.193 -3.518 -2.122 1.00 0.00 H new ATOM 367 N LYS A 150 -2.115 -5.202 -3.039 1.00 0.00 N ATOM 368 CA LYS A 150 -3.500 -5.196 -2.576 1.00 0.00 C ATOM 369 C LYS A 150 -3.852 -3.884 -1.879 1.00 0.00 C ATOM 370 O LYS A 150 -2.975 -3.162 -1.408 1.00 0.00 O ATOM 371 CB LYS A 150 -3.744 -6.370 -1.625 1.00 0.00 C ATOM 372 CG LYS A 150 -3.700 -7.726 -2.310 1.00 0.00 C ATOM 373 CD LYS A 150 -2.407 -8.465 -2.004 1.00 0.00 C ATOM 374 CE LYS A 150 -2.201 -9.640 -2.945 1.00 0.00 C ATOM 375 NZ LYS A 150 -1.557 -10.794 -2.259 1.00 0.00 N ATOM 0 H LYS A 150 -1.531 -5.919 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.142 -5.297 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.995 -6.347 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.716 -6.244 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.549 -8.327 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.798 -7.594 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.565 -7.778 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.425 -8.821 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.163 -9.951 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.583 -9.327 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.434 -11.575 -2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -0.628 -10.505 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.158 -11.109 -1.471 1.00 0.00 H new ATOM 389 N GLY A 151 -5.147 -3.590 -1.817 1.00 0.00 N ATOM 390 CA GLY A 151 -5.611 -2.372 -1.175 1.00 0.00 C ATOM 391 C GLY A 151 -6.971 -2.550 -0.529 1.00 0.00 C ATOM 392 O GLY A 151 -8.001 -2.354 -1.173 1.00 0.00 O ATOM 0 H GLY A 151 -5.887 -4.177 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.889 -2.063 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.663 -1.571 -1.912 1.00 0.00 H new ATOM 396 N THR A 152 -6.976 -2.931 0.746 1.00 0.00 N ATOM 397 CA THR A 152 -8.219 -3.144 1.477 1.00 0.00 C ATOM 398 C THR A 152 -8.634 -1.888 2.239 1.00 0.00 C ATOM 399 O THR A 152 -9.036 -1.959 3.401 1.00 0.00 O ATOM 400 CB THR A 152 -8.069 -4.317 2.446 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.298 -4.594 3.092 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.030 -4.076 3.520 1.00 0.00 C ATOM 0 H THR A 152 -6.132 -3.098 1.293 1.00 0.00 H new ATOM 0 HA THR A 152 -8.999 -3.376 0.752 1.00 0.00 H new ATOM 0 HB THR A 152 -7.747 -5.159 1.833 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.603 -3.796 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.974 -4.946 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.059 -3.908 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.309 -3.200 4.106 1.00 0.00 H new ATOM 410 N GLY A 153 -8.537 -0.741 1.577 1.00 0.00 N ATOM 411 CA GLY A 153 -8.910 0.511 2.209 1.00 0.00 C ATOM 412 C GLY A 153 -10.360 0.873 1.956 1.00 0.00 C ATOM 413 O GLY A 153 -11.180 0.005 1.659 1.00 0.00 O ATOM 0 H GLY A 153 -8.207 -0.655 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.738 0.439 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.268 1.309 1.836 1.00 0.00 H new ATOM 417 N VAL A 154 -10.678 2.159 2.071 1.00 0.00 N ATOM 418 CA VAL A 154 -12.039 2.629 1.850 1.00 0.00 C ATOM 419 C VAL A 154 -12.451 2.446 0.393 1.00 0.00 C ATOM 420 O VAL A 154 -12.450 3.398 -0.388 1.00 0.00 O ATOM 421 CB VAL A 154 -12.193 4.113 2.233 1.00 0.00 C ATOM 422 CG1 VAL A 154 -13.653 4.534 2.177 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.609 4.371 3.614 1.00 0.00 C ATOM 0 H VAL A 154 -10.012 2.892 2.316 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.688 2.030 2.489 1.00 0.00 H new ATOM 0 HB VAL A 154 -11.640 4.713 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -13.739 5.585 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.035 4.390 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.233 3.929 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.727 5.424 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.131 3.760 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.550 4.114 3.615 1.00 0.00 H new ATOM 433 N GLY A 155 -12.799 1.214 0.033 1.00 0.00 N ATOM 434 CA GLY A 155 -13.205 0.928 -1.330 1.00 0.00 C ATOM 435 C GLY A 155 -12.091 0.301 -2.145 1.00 0.00 C ATOM 436 O GLY A 155 -12.348 -0.420 -3.111 1.00 0.00 O ATOM 0 H GLY A 155 -12.807 0.410 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.064 0.257 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.528 1.851 -1.811 1.00 0.00 H new ATOM 440 N GLY A 156 -10.849 0.575 -1.758 1.00 0.00 N ATOM 441 CA GLY A 156 -9.710 0.027 -2.470 1.00 0.00 C ATOM 442 C GLY A 156 -8.471 0.890 -2.333 1.00 0.00 C ATOM 443 O GLY A 156 -7.842 1.249 -3.328 1.00 0.00 O ATOM 0 H GLY A 156 -10.611 1.168 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.496 -0.973 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.961 -0.078 -3.525 1.00 0.00 H new ATOM 447 N ARG A 157 -8.121 1.227 -1.095 1.00 0.00 N ATOM 448 CA ARG A 157 -6.952 2.057 -0.830 1.00 0.00 C ATOM 449 C ARG A 157 -5.835 1.239 -0.186 1.00 0.00 C ATOM 450 O ARG A 157 -6.065 0.500 0.770 1.00 0.00 O ATOM 451 CB ARG A 157 -7.328 3.230 0.079 1.00 0.00 C ATOM 452 CG ARG A 157 -8.661 3.871 -0.270 1.00 0.00 C ATOM 453 CD ARG A 157 -8.828 5.218 0.414 1.00 0.00 C ATOM 454 NE ARG A 157 -9.906 6.004 -0.181 1.00 0.00 N ATOM 455 CZ ARG A 157 -9.786 6.692 -1.314 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.637 6.692 -1.979 1.00 0.00 N ATOM 457 NH2 ARG A 157 -10.816 7.381 -1.784 1.00 0.00 N ATOM 0 H ARG A 157 -8.631 0.938 -0.260 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.591 2.444 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.362 2.882 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.545 3.987 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -8.733 3.999 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.474 3.208 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.034 5.064 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.894 5.776 0.349 1.00 0.00 H new ATOM 0 HE ARG A 157 -10.805 6.027 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.841 6.163 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.550 7.221 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -11.701 7.384 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.723 7.908 -2.652 1.00 0.00 H new ATOM 471 N LEU A 158 -4.624 1.381 -0.718 1.00 0.00 N ATOM 472 CA LEU A 158 -3.467 0.660 -0.197 1.00 0.00 C ATOM 473 C LEU A 158 -3.251 0.978 1.281 1.00 0.00 C ATOM 474 O LEU A 158 -3.025 2.131 1.648 1.00 0.00 O ATOM 475 CB LEU A 158 -2.212 1.031 -0.996 1.00 0.00 C ATOM 476 CG LEU A 158 -1.099 -0.026 -1.017 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.962 -0.695 0.340 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.369 -1.063 -2.095 1.00 0.00 C ATOM 0 H LEU A 158 -4.419 1.990 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.656 -0.409 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.507 1.241 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -1.803 1.955 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.159 0.476 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.167 -1.440 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.719 0.055 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.902 -1.181 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.570 -1.804 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.321 -1.556 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.410 -0.574 -3.068 1.00 0.00 H new ATOM 490 N THR A 159 -3.322 -0.047 2.128 1.00 0.00 N ATOM 491 CA THR A 159 -3.135 0.139 3.564 1.00 0.00 C ATOM 492 C THR A 159 -1.855 -0.540 4.046 1.00 0.00 C ATOM 493 O THR A 159 -1.281 -1.378 3.348 1.00 0.00 O ATOM 494 CB THR A 159 -4.338 -0.408 4.334 1.00 0.00 C ATOM 495 OG1 THR A 159 -4.998 -1.414 3.586 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.361 0.652 4.676 1.00 0.00 C ATOM 0 H THR A 159 -3.507 -1.010 1.846 1.00 0.00 H new ATOM 0 HA THR A 159 -3.047 1.209 3.753 1.00 0.00 H new ATOM 0 HB THR A 159 -3.928 -0.809 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.333 -1.987 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.188 0.197 5.221 1.00 0.00 H new ATOM 0 HG22 THR A 159 -4.897 1.420 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.737 1.104 3.758 1.00 0.00 H new ATOM 504 N ARG A 160 -1.415 -0.178 5.249 1.00 0.00 N ATOM 505 CA ARG A 160 -0.206 -0.756 5.825 1.00 0.00 C ATOM 506 C ARG A 160 -0.311 -2.274 5.865 1.00 0.00 C ATOM 507 O ARG A 160 0.672 -2.984 5.650 1.00 0.00 O ATOM 508 CB ARG A 160 0.027 -0.209 7.235 1.00 0.00 C ATOM 509 CG ARG A 160 1.456 -0.380 7.726 1.00 0.00 C ATOM 510 CD ARG A 160 2.041 0.932 8.219 1.00 0.00 C ATOM 511 NE ARG A 160 1.391 1.398 9.442 1.00 0.00 N ATOM 512 CZ ARG A 160 1.663 0.920 10.654 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.570 -0.036 10.810 1.00 0.00 N ATOM 514 NH2 ARG A 160 1.027 1.400 11.714 1.00 0.00 N ATOM 0 H ARG A 160 -1.877 0.511 5.842 1.00 0.00 H new ATOM 0 HA ARG A 160 0.641 -0.479 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.230 0.850 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.649 -0.712 7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.479 -1.114 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 160 2.074 -0.773 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 160 3.108 0.807 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.937 1.690 7.442 1.00 0.00 H new ATOM 0 HE ARG A 160 0.688 2.132 9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.063 -0.409 9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.774 -0.398 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 160 0.329 2.135 11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 160 1.235 1.034 12.643 1.00 0.00 H new ATOM 528 N GLU A 161 -1.519 -2.765 6.122 1.00 0.00 N ATOM 529 CA GLU A 161 -1.763 -4.198 6.167 1.00 0.00 C ATOM 530 C GLU A 161 -1.491 -4.816 4.802 1.00 0.00 C ATOM 531 O GLU A 161 -0.971 -5.927 4.702 1.00 0.00 O ATOM 532 CB GLU A 161 -3.205 -4.482 6.596 1.00 0.00 C ATOM 533 CG GLU A 161 -3.547 -3.937 7.974 1.00 0.00 C ATOM 534 CD GLU A 161 -3.588 -5.020 9.034 1.00 0.00 C ATOM 535 OE1 GLU A 161 -2.645 -5.838 9.085 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.562 -5.051 9.815 1.00 0.00 O ATOM 0 H GLU A 161 -2.342 -2.190 6.302 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.089 -4.644 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.886 -4.048 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.372 -5.559 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.811 -3.185 8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.514 -3.437 7.933 1.00 0.00 H new ATOM 543 N ASP A 162 -1.840 -4.078 3.753 1.00 0.00 N ATOM 544 CA ASP A 162 -1.629 -4.541 2.388 1.00 0.00 C ATOM 545 C ASP A 162 -0.140 -4.673 2.095 1.00 0.00 C ATOM 546 O ASP A 162 0.328 -5.730 1.674 1.00 0.00 O ATOM 547 CB ASP A 162 -2.271 -3.573 1.396 1.00 0.00 C ATOM 548 CG ASP A 162 -3.770 -3.760 1.293 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.206 -4.857 0.885 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.509 -2.809 1.623 1.00 0.00 O ATOM 0 H ASP A 162 -2.271 -3.156 3.823 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.096 -5.520 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.056 -2.549 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.822 -3.714 0.413 1.00 0.00 H new ATOM 555 N VAL A 163 0.604 -3.594 2.329 1.00 0.00 N ATOM 556 CA VAL A 163 2.043 -3.603 2.097 1.00 0.00 C ATOM 557 C VAL A 163 2.708 -4.711 2.907 1.00 0.00 C ATOM 558 O VAL A 163 3.704 -5.294 2.482 1.00 0.00 O ATOM 559 CB VAL A 163 2.690 -2.249 2.458 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.195 -2.291 2.230 1.00 0.00 C ATOM 561 CG2 VAL A 163 2.060 -1.122 1.653 1.00 0.00 C ATOM 0 H VAL A 163 0.236 -2.709 2.677 1.00 0.00 H new ATOM 0 HA VAL A 163 2.195 -3.784 1.033 1.00 0.00 H new ATOM 0 HB VAL A 163 2.510 -2.059 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.630 -1.326 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.636 -3.068 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.398 -2.509 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.530 -0.176 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 163 2.205 -1.310 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.993 -1.072 1.870 1.00 0.00 H new ATOM 571 N GLU A 164 2.139 -5.005 4.074 1.00 0.00 N ATOM 572 CA GLU A 164 2.669 -6.053 4.936 1.00 0.00 C ATOM 573 C GLU A 164 2.471 -7.420 4.292 1.00 0.00 C ATOM 574 O GLU A 164 3.384 -8.246 4.266 1.00 0.00 O ATOM 575 CB GLU A 164 1.988 -6.014 6.305 1.00 0.00 C ATOM 576 CG GLU A 164 2.485 -4.890 7.200 1.00 0.00 C ATOM 577 CD GLU A 164 3.063 -5.395 8.507 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.515 -6.371 9.062 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.065 -4.815 8.977 1.00 0.00 O ATOM 0 H GLU A 164 1.313 -4.532 4.442 1.00 0.00 H new ATOM 0 HA GLU A 164 3.737 -5.880 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.913 -5.906 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.149 -6.967 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.245 -4.317 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.661 -4.208 7.411 1.00 0.00 H new ATOM 586 N LYS A 165 1.273 -7.648 3.761 1.00 0.00 N ATOM 587 CA LYS A 165 0.957 -8.910 3.103 1.00 0.00 C ATOM 588 C LYS A 165 1.851 -9.110 1.886 1.00 0.00 C ATOM 589 O LYS A 165 2.401 -10.190 1.674 1.00 0.00 O ATOM 590 CB LYS A 165 -0.514 -8.940 2.685 1.00 0.00 C ATOM 591 CG LYS A 165 -1.443 -9.483 3.760 1.00 0.00 C ATOM 592 CD LYS A 165 -2.678 -8.613 3.925 1.00 0.00 C ATOM 593 CE LYS A 165 -3.486 -8.544 2.639 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.380 -7.352 2.608 1.00 0.00 N ATOM 0 H LYS A 165 0.506 -6.975 3.774 1.00 0.00 H new ATOM 0 HA LYS A 165 1.137 -9.722 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.829 -7.930 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.615 -9.550 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.744 -10.498 3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.909 -9.540 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -3.301 -9.011 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.379 -7.608 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.808 -8.512 1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.084 -9.449 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.344 -7.648 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -4.392 -6.902 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -4.029 -6.673 1.903 1.00 0.00 H new ATOM 608 N TRP A 166 2.000 -8.051 1.094 1.00 0.00 N ATOM 609 CA TRP A 166 2.838 -8.098 -0.096 1.00 0.00 C ATOM 610 C TRP A 166 4.300 -8.284 0.295 1.00 0.00 C ATOM 611 O TRP A 166 5.019 -9.088 -0.300 1.00 0.00 O ATOM 612 CB TRP A 166 2.670 -6.810 -0.910 1.00 0.00 C ATOM 613 CG TRP A 166 3.614 -6.702 -2.071 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.345 -6.980 -3.380 1.00 0.00 C ATOM 615 CD2 TRP A 166 4.982 -6.284 -2.024 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.467 -6.766 -4.147 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.483 -6.340 -3.336 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.829 -5.869 -0.997 1.00 0.00 C ATOM 619 CZ2 TRP A 166 6.796 -5.998 -3.648 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.133 -5.529 -1.306 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.606 -5.596 -2.622 1.00 0.00 C ATOM 0 H TRP A 166 1.550 -7.150 1.257 1.00 0.00 H new ATOM 0 HA TRP A 166 2.529 -8.945 -0.708 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.646 -6.755 -1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.818 -5.953 -0.252 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.392 -7.318 -3.758 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.531 -6.903 -5.156 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.473 -5.814 0.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.161 -6.048 -4.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.798 -5.206 -0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.630 -5.325 -2.831 1.00 0.00 H new ATOM 632 N LEU A 167 4.730 -7.533 1.304 1.00 0.00 N ATOM 633 CA LEU A 167 6.104 -7.608 1.786 1.00 0.00 C ATOM 634 C LEU A 167 6.442 -9.021 2.249 1.00 0.00 C ATOM 635 O LEU A 167 7.573 -9.482 2.093 1.00 0.00 O ATOM 636 CB LEU A 167 6.317 -6.618 2.934 1.00 0.00 C ATOM 637 CG LEU A 167 6.633 -5.184 2.505 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.460 -4.224 3.672 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.043 -5.097 1.945 1.00 0.00 C ATOM 0 H LEU A 167 4.145 -6.864 1.805 1.00 0.00 H new ATOM 0 HA LEU A 167 6.767 -7.347 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.420 -6.606 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.132 -6.981 3.560 1.00 0.00 H new ATOM 0 HG LEU A 167 5.932 -4.897 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.690 -3.210 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.431 -4.266 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.135 -4.507 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.252 -4.070 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.757 -5.404 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.132 -5.754 1.080 1.00 0.00 H new ATOM 651 N ALA A 168 5.454 -9.704 2.817 1.00 0.00 N ATOM 652 CA ALA A 168 5.644 -11.065 3.302 1.00 0.00 C ATOM 653 C ALA A 168 5.586 -12.070 2.157 1.00 0.00 C ATOM 654 O ALA A 168 6.253 -13.105 2.192 1.00 0.00 O ATOM 655 CB ALA A 168 4.597 -11.401 4.354 1.00 0.00 C ATOM 0 H ALA A 168 4.512 -9.336 2.953 1.00 0.00 H new ATOM 0 HA ALA A 168 6.633 -11.127 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.751 -12.421 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.687 -10.709 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.602 -11.314 3.918 1.00 0.00 H new ATOM 661 N LYS A 169 4.788 -11.758 1.142 1.00 0.00 N ATOM 662 CA LYS A 169 4.644 -12.635 -0.015 1.00 0.00 C ATOM 663 C LYS A 169 5.854 -12.522 -0.937 1.00 0.00 C ATOM 664 O LYS A 169 6.237 -13.488 -1.595 1.00 0.00 O ATOM 665 CB LYS A 169 3.367 -12.292 -0.784 1.00 0.00 C ATOM 666 CG LYS A 169 2.954 -13.360 -1.784 1.00 0.00 C ATOM 667 CD LYS A 169 1.724 -12.941 -2.572 1.00 0.00 C ATOM 668 CE LYS A 169 0.790 -14.114 -2.813 1.00 0.00 C ATOM 669 NZ LYS A 169 -0.050 -13.916 -4.027 1.00 0.00 N ATOM 0 H LYS A 169 4.231 -10.905 1.096 1.00 0.00 H new ATOM 0 HA LYS A 169 4.579 -13.662 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.555 -12.138 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.512 -11.349 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.778 -13.555 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.750 -14.293 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.193 -12.158 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.030 -12.516 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.375 -15.027 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.146 -14.249 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -0.807 -14.629 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -0.471 -12.965 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.540 -14.015 -4.878 1.00 0.00 H new ATOM 683 N ALA A 170 6.451 -11.336 -0.978 1.00 0.00 N ATOM 684 CA ALA A 170 7.618 -11.096 -1.818 1.00 0.00 C ATOM 685 C ALA A 170 8.900 -11.116 -0.995 1.00 0.00 C ATOM 686 O ALA A 170 9.845 -11.834 -1.388 1.00 0.00 O ATOM 687 CB ALA A 170 7.477 -9.769 -2.549 1.00 0.00 C ATOM 688 OXT ALA A 170 8.952 -10.414 0.036 1.00 0.00 O ATOM 0 H ALA A 170 6.146 -10.526 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 170 7.678 -11.899 -2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.355 -9.602 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.586 -9.792 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.389 -8.961 -1.823 1.00 0.00 H new