USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=5 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 Single : A 132 SER OG : rot 180:sc= -1.53 USER MOD Single : A 142 HIS : no HE2:sc= -8.4! C(o=-8.4!,f=-8.9!) USER MOD Single : A 143 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.7!) USER MOD Single : A 147 SER OG : rot -73:sc= 0.35 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 51:sc= 1.1 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 131 -4.193 5.778 -2.301 1.00 0.00 N ATOM 71 CA LEU A 131 -3.006 5.703 -1.458 1.00 0.00 C ATOM 72 C LEU A 131 -3.160 6.585 -0.223 1.00 0.00 C ATOM 73 O LEU A 131 -3.971 7.512 -0.207 1.00 0.00 O ATOM 74 CB LEU A 131 -1.770 6.125 -2.251 1.00 0.00 C ATOM 75 CG LEU A 131 -1.120 5.012 -3.076 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.584 5.563 -4.389 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.007 4.344 -2.283 1.00 0.00 C ATOM 0 HA LEU A 131 -2.885 4.671 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.047 6.939 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.029 6.522 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.879 4.263 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.126 4.757 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.403 5.996 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.161 6.332 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.445 3.555 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.751 5.084 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.418 3.914 -1.370 1.00 0.00 H new ATOM 89 N SER A 132 -2.377 6.292 0.810 1.00 0.00 N ATOM 90 CA SER A 132 -2.428 7.061 2.049 1.00 0.00 C ATOM 91 C SER A 132 -1.111 7.794 2.291 1.00 0.00 C ATOM 92 O SER A 132 -0.091 7.476 1.680 1.00 0.00 O ATOM 93 CB SER A 132 -2.739 6.142 3.232 1.00 0.00 C ATOM 94 OG SER A 132 -3.625 6.767 4.144 1.00 0.00 O ATOM 0 H SER A 132 -1.700 5.529 0.814 1.00 0.00 H new ATOM 0 HA SER A 132 -3.222 7.802 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.181 5.214 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.814 5.876 3.743 1.00 0.00 H new ATOM 0 HG SER A 132 -3.809 6.159 4.890 1.00 0.00 H new ATOM 100 N PRO A 133 -1.118 8.794 3.189 1.00 0.00 N ATOM 101 CA PRO A 133 0.078 9.581 3.510 1.00 0.00 C ATOM 102 C PRO A 133 1.217 8.722 4.053 1.00 0.00 C ATOM 103 O PRO A 133 2.325 8.735 3.517 1.00 0.00 O ATOM 104 CB PRO A 133 -0.407 10.560 4.586 1.00 0.00 C ATOM 105 CG PRO A 133 -1.888 10.607 4.428 1.00 0.00 C ATOM 106 CD PRO A 133 -2.293 9.241 3.957 1.00 0.00 C ATOM 0 HA PRO A 133 0.485 10.068 2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.127 10.220 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.036 11.547 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.374 10.855 5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.180 11.371 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.508 8.573 4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.190 9.277 3.339 1.00 0.00 H new ATOM 114 N ALA A 134 0.940 7.982 5.122 1.00 0.00 N ATOM 115 CA ALA A 134 1.946 7.126 5.740 1.00 0.00 C ATOM 116 C ALA A 134 2.403 6.025 4.786 1.00 0.00 C ATOM 117 O ALA A 134 3.604 5.801 4.609 1.00 0.00 O ATOM 118 CB ALA A 134 1.404 6.520 7.024 1.00 0.00 C ATOM 0 H ALA A 134 0.028 7.958 5.578 1.00 0.00 H new ATOM 0 HA ALA A 134 2.812 7.744 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.165 5.883 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.139 7.317 7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.519 5.925 6.800 1.00 0.00 H new ATOM 124 N ILE A 135 1.446 5.342 4.168 1.00 0.00 N ATOM 125 CA ILE A 135 1.776 4.274 3.239 1.00 0.00 C ATOM 126 C ILE A 135 2.571 4.814 2.061 1.00 0.00 C ATOM 127 O ILE A 135 3.571 4.227 1.667 1.00 0.00 O ATOM 128 CB ILE A 135 0.525 3.542 2.715 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.176 2.804 3.858 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.912 2.567 1.606 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.379 3.540 4.406 1.00 0.00 C ATOM 0 H ILE A 135 0.447 5.508 4.293 1.00 0.00 H new ATOM 0 HA ILE A 135 2.379 3.556 3.795 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.167 4.278 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.491 1.822 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.538 2.640 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.020 2.056 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.375 3.115 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.617 1.833 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.825 2.958 5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.068 4.512 4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -2.112 3.681 3.612 1.00 0.00 H new ATOM 143 N ARG A 136 2.129 5.937 1.501 1.00 0.00 N ATOM 144 CA ARG A 136 2.827 6.535 0.368 1.00 0.00 C ATOM 145 C ARG A 136 4.312 6.652 0.676 1.00 0.00 C ATOM 146 O ARG A 136 5.158 6.462 -0.199 1.00 0.00 O ATOM 147 CB ARG A 136 2.241 7.909 0.036 1.00 0.00 C ATOM 148 CG ARG A 136 1.114 7.859 -0.983 1.00 0.00 C ATOM 149 CD ARG A 136 1.292 8.912 -2.066 1.00 0.00 C ATOM 150 NE ARG A 136 0.011 9.367 -2.603 1.00 0.00 N ATOM 151 CZ ARG A 136 -0.774 10.255 -1.997 1.00 0.00 C ATOM 152 NH1 ARG A 136 -0.414 10.785 -0.835 1.00 0.00 N ATOM 153 NH2 ARG A 136 -1.921 10.615 -2.555 1.00 0.00 N ATOM 0 H ARG A 136 1.300 6.446 1.809 1.00 0.00 H new ATOM 0 HA ARG A 136 2.696 5.891 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.871 8.368 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.035 8.551 -0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.078 6.870 -1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.160 8.012 -0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.837 9.763 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.899 8.503 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.300 8.981 -3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.468 10.512 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.019 11.465 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.202 10.212 -3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.523 11.295 -2.091 1.00 0.00 H new ATOM 167 N ARG A 137 4.621 6.929 1.936 1.00 0.00 N ATOM 168 CA ARG A 137 6.001 7.028 2.372 1.00 0.00 C ATOM 169 C ARG A 137 6.617 5.638 2.380 1.00 0.00 C ATOM 170 O ARG A 137 7.761 5.445 1.967 1.00 0.00 O ATOM 171 CB ARG A 137 6.079 7.648 3.767 1.00 0.00 C ATOM 172 CG ARG A 137 7.488 8.042 4.181 1.00 0.00 C ATOM 173 CD ARG A 137 7.473 9.072 5.298 1.00 0.00 C ATOM 174 NE ARG A 137 6.599 10.202 4.989 1.00 0.00 N ATOM 175 CZ ARG A 137 6.139 11.055 5.900 1.00 0.00 C ATOM 176 NH1 ARG A 137 6.468 10.912 7.179 1.00 0.00 N ATOM 177 NH2 ARG A 137 5.349 12.056 5.534 1.00 0.00 N ATOM 0 H ARG A 137 3.932 7.089 2.671 1.00 0.00 H new ATOM 0 HA ARG A 137 6.552 7.670 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.440 8.530 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.681 6.939 4.493 1.00 0.00 H new ATOM 0 HG2 ARG A 137 8.033 7.157 4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.022 8.445 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.141 8.599 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 137 8.486 9.434 5.471 1.00 0.00 H new ATOM 0 HE ARG A 137 6.326 10.345 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.076 10.145 7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 137 6.113 11.569 7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 137 5.094 12.172 4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 137 4.997 12.710 6.233 1.00 0.00 H new ATOM 191 N LEU A 138 5.834 4.670 2.849 1.00 0.00 N ATOM 192 CA LEU A 138 6.281 3.284 2.907 1.00 0.00 C ATOM 193 C LEU A 138 6.592 2.751 1.510 1.00 0.00 C ATOM 194 O LEU A 138 7.683 2.242 1.259 1.00 0.00 O ATOM 195 CB LEU A 138 5.212 2.410 3.566 1.00 0.00 C ATOM 196 CG LEU A 138 5.584 0.935 3.700 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.691 0.755 4.727 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.367 0.105 4.078 1.00 0.00 C ATOM 0 H LEU A 138 4.886 4.822 3.194 1.00 0.00 H new ATOM 0 HA LEU A 138 7.193 3.249 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.998 2.808 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.292 2.487 2.987 1.00 0.00 H new ATOM 0 HG LEU A 138 5.949 0.586 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.943 -0.302 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.572 1.315 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.352 1.123 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.655 -0.942 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.969 0.455 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.604 0.206 3.307 1.00 0.00 H new ATOM 210 N LEU A 139 5.630 2.880 0.597 1.00 0.00 N ATOM 211 CA LEU A 139 5.811 2.418 -0.772 1.00 0.00 C ATOM 212 C LEU A 139 6.982 3.140 -1.416 1.00 0.00 C ATOM 213 O LEU A 139 7.759 2.548 -2.168 1.00 0.00 O ATOM 214 CB LEU A 139 4.537 2.653 -1.585 1.00 0.00 C ATOM 215 CG LEU A 139 3.407 1.660 -1.315 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.054 2.326 -1.510 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.539 0.445 -2.221 1.00 0.00 C ATOM 0 H LEU A 139 4.720 3.301 0.784 1.00 0.00 H new ATOM 0 HA LEU A 139 6.022 1.349 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.173 3.660 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.788 2.615 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 139 3.480 1.328 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.261 1.604 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.959 3.165 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.970 2.687 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.727 -0.252 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.491 0.761 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.494 -0.046 -2.034 1.00 0.00 H new ATOM 229 N ALA A 140 7.104 4.422 -1.104 1.00 0.00 N ATOM 230 CA ALA A 140 8.188 5.236 -1.635 1.00 0.00 C ATOM 231 C ALA A 140 9.536 4.686 -1.185 1.00 0.00 C ATOM 232 O ALA A 140 10.511 4.702 -1.936 1.00 0.00 O ATOM 233 CB ALA A 140 8.029 6.683 -1.196 1.00 0.00 C ATOM 0 H ALA A 140 6.465 4.921 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 140 8.147 5.200 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.847 7.278 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.080 7.073 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.046 6.737 -0.107 1.00 0.00 H new ATOM 239 N GLU A 141 9.577 4.192 0.049 1.00 0.00 N ATOM 240 CA GLU A 141 10.794 3.627 0.610 1.00 0.00 C ATOM 241 C GLU A 141 11.059 2.241 0.037 1.00 0.00 C ATOM 242 O GLU A 141 12.173 1.930 -0.383 1.00 0.00 O ATOM 243 CB GLU A 141 10.694 3.550 2.135 1.00 0.00 C ATOM 244 CG GLU A 141 10.671 4.910 2.813 1.00 0.00 C ATOM 245 CD GLU A 141 10.244 4.831 4.265 1.00 0.00 C ATOM 246 OE1 GLU A 141 10.339 3.732 4.852 1.00 0.00 O ATOM 247 OE2 GLU A 141 9.817 5.866 4.816 1.00 0.00 O ATOM 0 H GLU A 141 8.776 4.173 0.680 1.00 0.00 H new ATOM 0 HA GLU A 141 11.625 4.280 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.790 3.004 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.539 2.977 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.663 5.358 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.991 5.569 2.274 1.00 0.00 H new ATOM 254 N HIS A 142 10.020 1.415 0.019 1.00 0.00 N ATOM 255 CA HIS A 142 10.126 0.058 -0.507 1.00 0.00 C ATOM 256 C HIS A 142 10.298 0.073 -2.024 1.00 0.00 C ATOM 257 O HIS A 142 10.764 -0.901 -2.614 1.00 0.00 O ATOM 258 CB HIS A 142 8.885 -0.756 -0.133 1.00 0.00 C ATOM 259 CG HIS A 142 8.843 -1.163 1.309 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.334 -2.367 1.767 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.357 -0.520 2.397 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.152 -2.446 3.074 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.562 -1.338 3.479 1.00 0.00 N ATOM 0 H HIS A 142 9.092 1.661 0.363 1.00 0.00 H new ATOM 0 HA HIS A 142 11.006 -0.408 -0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.995 -0.170 -0.362 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.847 -1.650 -0.755 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.770 -3.085 1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.894 0.456 2.410 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.438 -3.276 3.703 1.00 0.00 H new ATOM 272 N ASN A 143 9.915 1.184 -2.652 1.00 0.00 N ATOM 273 CA ASN A 143 10.023 1.324 -4.100 1.00 0.00 C ATOM 274 C ASN A 143 9.033 0.401 -4.808 1.00 0.00 C ATOM 275 O ASN A 143 9.410 -0.397 -5.665 1.00 0.00 O ATOM 276 CB ASN A 143 11.456 1.026 -4.560 1.00 0.00 C ATOM 277 CG ASN A 143 12.103 2.211 -5.249 1.00 0.00 C ATOM 278 OD1 ASN A 143 11.435 3.187 -5.589 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.412 2.131 -5.460 1.00 0.00 N ATOM 0 H ASN A 143 9.527 2.000 -2.178 1.00 0.00 H new ATOM 0 HA ASN A 143 9.779 2.353 -4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.058 0.738 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.446 0.175 -5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.902 2.898 -5.920 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.927 1.303 -5.162 1.00 0.00 H new ATOM 286 N LEU A 144 7.761 0.516 -4.438 1.00 0.00 N ATOM 287 CA LEU A 144 6.716 -0.308 -5.034 1.00 0.00 C ATOM 288 C LEU A 144 5.607 0.554 -5.625 1.00 0.00 C ATOM 289 O LEU A 144 5.649 1.781 -5.550 1.00 0.00 O ATOM 290 CB LEU A 144 6.127 -1.261 -3.992 1.00 0.00 C ATOM 291 CG LEU A 144 7.141 -1.876 -3.033 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.432 -2.615 -1.909 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.080 -2.810 -3.780 1.00 0.00 C ATOM 0 H LEU A 144 7.430 1.171 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 144 7.169 -0.889 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.380 -0.722 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.606 -2.066 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 144 7.733 -1.073 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.171 -3.047 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.801 -1.919 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.815 -3.410 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.797 -3.240 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.504 -3.609 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.613 -2.251 -4.549 1.00 0.00 H new ATOM 305 N ASP A 145 4.614 -0.106 -6.210 1.00 0.00 N ATOM 306 CA ASP A 145 3.483 0.587 -6.816 1.00 0.00 C ATOM 307 C ASP A 145 2.177 0.160 -6.155 1.00 0.00 C ATOM 308 O ASP A 145 1.901 -1.030 -6.013 1.00 0.00 O ATOM 309 CB ASP A 145 3.427 0.302 -8.318 1.00 0.00 C ATOM 310 CG ASP A 145 2.788 1.435 -9.097 1.00 0.00 C ATOM 311 OD1 ASP A 145 2.982 2.606 -8.709 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.094 1.151 -10.096 1.00 0.00 O ATOM 0 H ASP A 145 4.569 -1.123 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 145 3.617 1.658 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.437 0.132 -8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.865 -0.616 -8.490 1.00 0.00 H new ATOM 317 N ALA A 146 1.376 1.142 -5.749 1.00 0.00 N ATOM 318 CA ALA A 146 0.099 0.868 -5.099 1.00 0.00 C ATOM 319 C ALA A 146 -0.741 -0.112 -5.913 1.00 0.00 C ATOM 320 O ALA A 146 -1.312 -1.057 -5.370 1.00 0.00 O ATOM 321 CB ALA A 146 -0.665 2.165 -4.877 1.00 0.00 C ATOM 0 H ALA A 146 1.589 2.133 -5.859 1.00 0.00 H new ATOM 0 HA ALA A 146 0.305 0.407 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.616 1.948 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.077 2.830 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.849 2.648 -5.837 1.00 0.00 H new ATOM 327 N SER A 147 -0.810 0.120 -7.220 1.00 0.00 N ATOM 328 CA SER A 147 -1.580 -0.740 -8.111 1.00 0.00 C ATOM 329 C SER A 147 -1.017 -2.160 -8.135 1.00 0.00 C ATOM 330 O SER A 147 -1.691 -3.094 -8.571 1.00 0.00 O ATOM 331 CB SER A 147 -1.588 -0.161 -9.527 1.00 0.00 C ATOM 332 OG SER A 147 -0.272 -0.035 -10.035 1.00 0.00 O ATOM 0 H SER A 147 -0.341 0.897 -7.686 1.00 0.00 H new ATOM 0 HA SER A 147 -2.601 -0.784 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 147 -2.174 -0.805 -10.183 1.00 0.00 H new ATOM 0 HB3 SER A 147 -2.074 0.815 -9.521 1.00 0.00 H new ATOM 0 HG SER A 147 0.181 0.710 -9.588 1.00 0.00 H new ATOM 338 N ALA A 148 0.219 -2.321 -7.669 1.00 0.00 N ATOM 339 CA ALA A 148 0.860 -3.629 -7.645 1.00 0.00 C ATOM 340 C ALA A 148 0.631 -4.341 -6.314 1.00 0.00 C ATOM 341 O ALA A 148 0.823 -5.553 -6.209 1.00 0.00 O ATOM 342 CB ALA A 148 2.349 -3.488 -7.920 1.00 0.00 C ATOM 0 H ALA A 148 0.794 -1.562 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 148 0.408 -4.238 -8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.818 -4.472 -7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.497 -3.036 -8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.802 -2.855 -7.157 1.00 0.00 H new ATOM 348 N ILE A 149 0.227 -3.586 -5.296 1.00 0.00 N ATOM 349 CA ILE A 149 -0.017 -4.155 -3.976 1.00 0.00 C ATOM 350 C ILE A 149 -1.506 -4.121 -3.630 1.00 0.00 C ATOM 351 O ILE A 149 -2.261 -3.314 -4.170 1.00 0.00 O ATOM 352 CB ILE A 149 0.789 -3.414 -2.888 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.185 -3.065 -3.416 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.883 -4.261 -1.622 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.122 -2.514 -2.364 1.00 0.00 C ATOM 0 H ILE A 149 0.062 -2.581 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 149 0.314 -5.193 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 149 0.273 -2.488 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.631 -3.959 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.086 -2.334 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.455 -3.723 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.119 -4.463 -1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.381 -5.203 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 149 4.088 -2.292 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.700 -1.601 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.254 -3.251 -1.572 1.00 0.00 H new ATOM 367 N LYS A 150 -1.919 -5.019 -2.739 1.00 0.00 N ATOM 368 CA LYS A 150 -3.317 -5.115 -2.328 1.00 0.00 C ATOM 369 C LYS A 150 -3.854 -3.779 -1.824 1.00 0.00 C ATOM 370 O LYS A 150 -3.093 -2.863 -1.516 1.00 0.00 O ATOM 371 CB LYS A 150 -3.474 -6.176 -1.237 1.00 0.00 C ATOM 372 CG LYS A 150 -2.963 -7.549 -1.644 1.00 0.00 C ATOM 373 CD LYS A 150 -3.491 -8.634 -0.719 1.00 0.00 C ATOM 374 CE LYS A 150 -4.774 -9.249 -1.256 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.525 -10.550 -1.935 1.00 0.00 N ATOM 0 H LYS A 150 -1.302 -5.693 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.896 -5.401 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.940 -5.849 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.527 -6.255 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.267 -7.763 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -1.873 -7.553 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.736 -9.411 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.674 -8.213 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.477 -9.396 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.242 -8.558 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.425 -10.936 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.874 -10.406 -2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.102 -11.218 -1.260 1.00 0.00 H new ATOM 389 N GLY A 151 -5.177 -3.684 -1.736 1.00 0.00 N ATOM 390 CA GLY A 151 -5.817 -2.470 -1.266 1.00 0.00 C ATOM 391 C GLY A 151 -7.191 -2.743 -0.685 1.00 0.00 C ATOM 392 O GLY A 151 -8.203 -2.586 -1.368 1.00 0.00 O ATOM 0 H GLY A 151 -5.822 -4.434 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.190 -1.999 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.906 -1.764 -2.091 1.00 0.00 H new ATOM 396 N THR A 152 -7.227 -3.166 0.576 1.00 0.00 N ATOM 397 CA THR A 152 -8.489 -3.476 1.243 1.00 0.00 C ATOM 398 C THR A 152 -9.011 -2.282 2.038 1.00 0.00 C ATOM 399 O THR A 152 -9.740 -2.451 3.016 1.00 0.00 O ATOM 400 CB THR A 152 -8.314 -4.680 2.169 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.318 -4.423 3.144 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.925 -5.947 1.436 1.00 0.00 C ATOM 0 H THR A 152 -6.399 -3.302 1.156 1.00 0.00 H new ATOM 0 HA THR A 152 -9.222 -3.714 0.472 1.00 0.00 H new ATOM 0 HB THR A 152 -9.289 -4.833 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.222 -5.204 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.817 -6.762 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.699 -6.200 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.979 -5.791 0.917 1.00 0.00 H new ATOM 410 N GLY A 153 -8.644 -1.078 1.614 1.00 0.00 N ATOM 411 CA GLY A 153 -9.096 0.117 2.302 1.00 0.00 C ATOM 412 C GLY A 153 -10.600 0.291 2.225 1.00 0.00 C ATOM 413 O GLY A 153 -11.350 -0.679 2.341 1.00 0.00 O ATOM 0 H GLY A 153 -8.043 -0.908 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.791 0.069 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.609 0.990 1.868 1.00 0.00 H new ATOM 417 N VAL A 154 -11.045 1.528 2.030 1.00 0.00 N ATOM 418 CA VAL A 154 -12.469 1.820 1.937 1.00 0.00 C ATOM 419 C VAL A 154 -12.929 1.852 0.483 1.00 0.00 C ATOM 420 O VAL A 154 -13.049 2.920 -0.118 1.00 0.00 O ATOM 421 CB VAL A 154 -12.812 3.168 2.602 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.318 3.374 2.648 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.213 3.240 3.998 1.00 0.00 C ATOM 0 H VAL A 154 -10.440 2.343 1.933 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.991 1.021 2.464 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.379 3.969 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.540 4.331 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.717 3.369 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.778 2.570 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.465 4.198 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.615 2.431 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.129 3.142 3.934 1.00 0.00 H new ATOM 433 N GLY A 155 -13.183 0.674 -0.076 1.00 0.00 N ATOM 434 CA GLY A 155 -13.625 0.587 -1.456 1.00 0.00 C ATOM 435 C GLY A 155 -12.484 0.321 -2.418 1.00 0.00 C ATOM 436 O GLY A 155 -12.580 0.630 -3.605 1.00 0.00 O ATOM 0 H GLY A 155 -13.091 -0.223 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.365 -0.208 -1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.121 1.517 -1.734 1.00 0.00 H new ATOM 440 N GLY A 156 -11.401 -0.256 -1.906 1.00 0.00 N ATOM 441 CA GLY A 156 -10.254 -0.554 -2.743 1.00 0.00 C ATOM 442 C GLY A 156 -9.168 0.497 -2.641 1.00 0.00 C ATOM 443 O GLY A 156 -8.934 1.253 -3.585 1.00 0.00 O ATOM 0 H GLY A 156 -11.298 -0.522 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.844 -1.523 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.578 -0.637 -3.780 1.00 0.00 H new ATOM 447 N ARG A 157 -8.498 0.546 -1.493 1.00 0.00 N ATOM 448 CA ARG A 157 -7.428 1.514 -1.273 1.00 0.00 C ATOM 449 C ARG A 157 -6.210 0.846 -0.638 1.00 0.00 C ATOM 450 O ARG A 157 -6.344 -0.063 0.181 1.00 0.00 O ATOM 451 CB ARG A 157 -7.914 2.659 -0.381 1.00 0.00 C ATOM 452 CG ARG A 157 -9.325 3.130 -0.699 1.00 0.00 C ATOM 453 CD ARG A 157 -9.415 4.649 -0.717 1.00 0.00 C ATOM 454 NE ARG A 157 -9.587 5.206 0.624 1.00 0.00 N ATOM 455 CZ ARG A 157 -10.751 5.633 1.115 1.00 0.00 C ATOM 456 NH1 ARG A 157 -11.861 5.557 0.389 1.00 0.00 N ATOM 457 NH2 ARG A 157 -10.806 6.135 2.340 1.00 0.00 N ATOM 0 H ARG A 157 -8.677 -0.072 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.138 1.917 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.874 2.338 0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.229 3.501 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.632 2.735 -1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.018 2.732 0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.511 5.060 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.251 4.955 -1.346 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.764 5.272 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -11.828 5.169 -0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -12.746 5.887 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.959 6.194 2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.695 6.462 2.718 1.00 0.00 H new ATOM 471 N LEU A 158 -5.024 1.308 -1.021 1.00 0.00 N ATOM 472 CA LEU A 158 -3.778 0.762 -0.492 1.00 0.00 C ATOM 473 C LEU A 158 -3.613 1.126 0.982 1.00 0.00 C ATOM 474 O LEU A 158 -3.706 2.296 1.354 1.00 0.00 O ATOM 475 CB LEU A 158 -2.588 1.297 -1.295 1.00 0.00 C ATOM 476 CG LEU A 158 -1.334 0.417 -1.285 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.993 -0.025 0.131 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.519 -0.791 -2.190 1.00 0.00 C ATOM 0 H LEU A 158 -4.899 2.061 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.813 -0.324 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.904 1.437 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.323 2.280 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.503 1.010 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.099 -0.649 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.811 0.852 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.825 -0.596 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.617 -1.403 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.366 -1.381 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.706 -0.456 -3.210 1.00 0.00 H new ATOM 490 N THR A 159 -3.366 0.121 1.819 1.00 0.00 N ATOM 491 CA THR A 159 -3.187 0.349 3.249 1.00 0.00 C ATOM 492 C THR A 159 -1.942 -0.368 3.769 1.00 0.00 C ATOM 493 O THR A 159 -1.387 -1.240 3.097 1.00 0.00 O ATOM 494 CB THR A 159 -4.424 -0.114 4.025 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.223 -0.973 3.233 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.302 1.029 4.485 1.00 0.00 C ATOM 0 H THR A 159 -3.286 -0.855 1.533 1.00 0.00 H new ATOM 0 HA THR A 159 -3.054 1.420 3.403 1.00 0.00 H new ATOM 0 HB THR A 159 -4.036 -0.633 4.902 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.664 -1.683 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.160 0.633 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 159 -4.730 1.686 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.649 1.592 3.619 1.00 0.00 H new ATOM 504 N ARG A 160 -1.510 0.006 4.971 1.00 0.00 N ATOM 505 CA ARG A 160 -0.331 -0.599 5.582 1.00 0.00 C ATOM 506 C ARG A 160 -0.484 -2.113 5.655 1.00 0.00 C ATOM 507 O ARG A 160 0.486 -2.854 5.485 1.00 0.00 O ATOM 508 CB ARG A 160 -0.101 -0.028 6.982 1.00 0.00 C ATOM 509 CG ARG A 160 1.365 0.042 7.377 1.00 0.00 C ATOM 510 CD ARG A 160 1.682 1.326 8.126 1.00 0.00 C ATOM 511 NE ARG A 160 0.732 1.579 9.207 1.00 0.00 N ATOM 512 CZ ARG A 160 0.708 2.699 9.926 1.00 0.00 C ATOM 513 NH1 ARG A 160 1.580 3.670 9.683 1.00 0.00 N ATOM 514 NH2 ARG A 160 -0.189 2.849 10.890 1.00 0.00 N ATOM 0 H ARG A 160 -1.958 0.724 5.540 1.00 0.00 H new ATOM 0 HA ARG A 160 0.533 -0.364 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.530 0.973 7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.635 -0.641 7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.615 -0.816 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.987 -0.022 6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.690 1.267 8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.670 2.164 7.429 1.00 0.00 H new ATOM 0 HE ARG A 160 0.047 0.855 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.273 3.560 8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 160 1.557 4.526 10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -0.861 2.106 11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -0.207 3.707 11.441 1.00 0.00 H new ATOM 528 N GLU A 161 -1.709 -2.567 5.890 1.00 0.00 N ATOM 529 CA GLU A 161 -1.987 -3.994 5.965 1.00 0.00 C ATOM 530 C GLU A 161 -1.684 -4.652 4.624 1.00 0.00 C ATOM 531 O GLU A 161 -1.179 -5.774 4.568 1.00 0.00 O ATOM 532 CB GLU A 161 -3.448 -4.234 6.352 1.00 0.00 C ATOM 533 CG GLU A 161 -3.868 -3.510 7.619 1.00 0.00 C ATOM 534 CD GLU A 161 -3.560 -4.304 8.874 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.077 -5.433 9.004 1.00 0.00 O ATOM 536 OE2 GLU A 161 -2.802 -3.796 9.727 1.00 0.00 O ATOM 0 H GLU A 161 -2.523 -1.969 6.031 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.349 -4.436 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.090 -3.914 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.609 -5.304 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.359 -2.547 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.937 -3.303 7.577 1.00 0.00 H new ATOM 543 N ASP A 162 -1.987 -3.935 3.546 1.00 0.00 N ATOM 544 CA ASP A 162 -1.739 -4.439 2.203 1.00 0.00 C ATOM 545 C ASP A 162 -0.243 -4.586 1.963 1.00 0.00 C ATOM 546 O ASP A 162 0.225 -5.643 1.538 1.00 0.00 O ATOM 547 CB ASP A 162 -2.349 -3.502 1.161 1.00 0.00 C ATOM 548 CG ASP A 162 -3.863 -3.550 1.158 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.423 -4.609 0.803 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.490 -2.530 1.513 1.00 0.00 O ATOM 0 H ASP A 162 -2.404 -3.005 3.578 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.208 -5.418 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.021 -2.481 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.978 -3.771 0.172 1.00 0.00 H new ATOM 555 N VAL A 163 0.505 -3.526 2.251 1.00 0.00 N ATOM 556 CA VAL A 163 1.952 -3.553 2.077 1.00 0.00 C ATOM 557 C VAL A 163 2.565 -4.668 2.916 1.00 0.00 C ATOM 558 O VAL A 163 3.579 -5.256 2.542 1.00 0.00 O ATOM 559 CB VAL A 163 2.599 -2.209 2.468 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.102 -2.246 2.229 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.960 -1.066 1.693 1.00 0.00 C ATOM 0 H VAL A 163 0.136 -2.643 2.604 1.00 0.00 H new ATOM 0 HA VAL A 163 2.148 -3.734 1.020 1.00 0.00 H new ATOM 0 HB VAL A 163 2.428 -2.042 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.539 -1.288 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.547 -3.039 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.298 -2.437 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.428 -0.125 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 163 2.099 -1.229 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.894 -1.025 1.918 1.00 0.00 H new ATOM 571 N GLU A 164 1.931 -4.961 4.049 1.00 0.00 N ATOM 572 CA GLU A 164 2.403 -6.014 4.937 1.00 0.00 C ATOM 573 C GLU A 164 2.268 -7.374 4.262 1.00 0.00 C ATOM 574 O GLU A 164 3.209 -8.166 4.244 1.00 0.00 O ATOM 575 CB GLU A 164 1.616 -5.999 6.250 1.00 0.00 C ATOM 576 CG GLU A 164 2.286 -5.192 7.350 1.00 0.00 C ATOM 577 CD GLU A 164 3.705 -5.647 7.625 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.885 -6.560 8.459 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.637 -5.092 7.007 1.00 0.00 O ATOM 0 H GLU A 164 1.090 -4.483 4.371 1.00 0.00 H new ATOM 0 HA GLU A 164 3.455 -5.833 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.623 -5.590 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.480 -7.024 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.294 -4.139 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.699 -5.274 8.265 1.00 0.00 H new ATOM 586 N LYS A 165 1.091 -7.632 3.695 1.00 0.00 N ATOM 587 CA LYS A 165 0.841 -8.892 3.005 1.00 0.00 C ATOM 588 C LYS A 165 1.797 -9.048 1.828 1.00 0.00 C ATOM 589 O LYS A 165 2.378 -10.114 1.619 1.00 0.00 O ATOM 590 CB LYS A 165 -0.607 -8.957 2.515 1.00 0.00 C ATOM 591 CG LYS A 165 -1.634 -8.880 3.634 1.00 0.00 C ATOM 592 CD LYS A 165 -1.370 -9.927 4.705 1.00 0.00 C ATOM 593 CE LYS A 165 -2.596 -10.156 5.574 1.00 0.00 C ATOM 594 NZ LYS A 165 -3.491 -11.202 5.007 1.00 0.00 N ATOM 0 H LYS A 165 0.300 -6.988 3.700 1.00 0.00 H new ATOM 0 HA LYS A 165 1.009 -9.708 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.782 -8.139 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.753 -9.885 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.612 -7.886 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.633 -9.022 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -1.076 -10.865 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.535 -9.608 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.281 -10.451 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.148 -9.222 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -4.315 -11.328 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -3.812 -10.909 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -2.972 -12.100 4.933 1.00 0.00 H new ATOM 608 N TRP A 166 1.961 -7.971 1.067 1.00 0.00 N ATOM 609 CA TRP A 166 2.854 -7.972 -0.085 1.00 0.00 C ATOM 610 C TRP A 166 4.292 -8.203 0.363 1.00 0.00 C ATOM 611 O TRP A 166 5.032 -8.974 -0.249 1.00 0.00 O ATOM 612 CB TRP A 166 2.742 -6.642 -0.834 1.00 0.00 C ATOM 613 CG TRP A 166 3.719 -6.495 -1.962 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.477 -6.689 -3.290 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.094 -6.118 -1.855 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.623 -6.463 -4.016 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.629 -6.111 -3.156 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.924 -5.787 -0.785 1.00 0.00 C ATOM 619 CZ2 TRP A 166 6.959 -5.788 -3.413 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.243 -5.465 -1.038 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.750 -5.468 -2.343 1.00 0.00 C ATOM 0 H TRP A 166 1.485 -7.083 1.229 1.00 0.00 H new ATOM 0 HA TRP A 166 2.563 -8.781 -0.755 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.730 -6.542 -1.227 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.892 -5.825 -0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.525 -6.978 -3.710 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.710 -6.544 -5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.542 -5.782 0.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.352 -5.790 -4.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.894 -5.207 -0.216 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.786 -5.213 -2.509 1.00 0.00 H new ATOM 632 N LEU A 167 4.676 -7.527 1.439 1.00 0.00 N ATOM 633 CA LEU A 167 6.022 -7.649 1.985 1.00 0.00 C ATOM 634 C LEU A 167 6.292 -9.073 2.461 1.00 0.00 C ATOM 635 O LEU A 167 7.416 -9.567 2.373 1.00 0.00 O ATOM 636 CB LEU A 167 6.210 -6.671 3.147 1.00 0.00 C ATOM 637 CG LEU A 167 6.568 -5.240 2.742 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.346 -4.285 3.903 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.008 -5.169 2.258 1.00 0.00 C ATOM 0 H LEU A 167 4.071 -6.886 1.953 1.00 0.00 H new ATOM 0 HA LEU A 167 6.731 -7.409 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.291 -6.647 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 167 6.994 -7.054 3.800 1.00 0.00 H new ATOM 0 HG LEU A 167 5.915 -4.940 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.606 -3.272 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.299 -4.315 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.974 -4.582 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.246 -4.144 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.677 -5.489 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.135 -5.823 1.396 1.00 0.00 H new ATOM 651 N ALA A 168 5.254 -9.724 2.975 1.00 0.00 N ATOM 652 CA ALA A 168 5.375 -11.088 3.477 1.00 0.00 C ATOM 653 C ALA A 168 5.389 -12.106 2.342 1.00 0.00 C ATOM 654 O ALA A 168 6.204 -13.028 2.333 1.00 0.00 O ATOM 655 CB ALA A 168 4.245 -11.394 4.448 1.00 0.00 C ATOM 0 H ALA A 168 4.317 -9.328 3.055 1.00 0.00 H new ATOM 0 HA ALA A 168 6.327 -11.165 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.347 -12.415 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.289 -10.700 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.288 -11.286 3.938 1.00 0.00 H new ATOM 661 N LYS A 169 4.480 -11.937 1.390 1.00 0.00 N ATOM 662 CA LYS A 169 4.388 -12.848 0.254 1.00 0.00 C ATOM 663 C LYS A 169 5.602 -12.709 -0.660 1.00 0.00 C ATOM 664 O LYS A 169 6.055 -13.685 -1.257 1.00 0.00 O ATOM 665 CB LYS A 169 3.104 -12.590 -0.536 1.00 0.00 C ATOM 666 CG LYS A 169 3.088 -11.249 -1.251 1.00 0.00 C ATOM 667 CD LYS A 169 1.691 -10.893 -1.727 1.00 0.00 C ATOM 668 CE LYS A 169 1.731 -10.036 -2.982 1.00 0.00 C ATOM 669 NZ LYS A 169 0.673 -8.988 -2.973 1.00 0.00 N ATOM 0 H LYS A 169 3.797 -11.180 1.381 1.00 0.00 H new ATOM 0 HA LYS A 169 4.366 -13.866 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.973 -13.385 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.253 -12.640 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.454 -10.472 -0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.767 -11.281 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.130 -11.806 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.162 -10.359 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 169 2.709 -9.563 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 169 1.606 -10.671 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 0.734 -8.425 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -0.262 -9.439 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.807 -8.366 -2.150 1.00 0.00 H new ATOM 683 N ALA A 170 6.123 -11.492 -0.762 1.00 0.00 N ATOM 684 CA ALA A 170 7.283 -11.225 -1.603 1.00 0.00 C ATOM 685 C ALA A 170 8.522 -10.950 -0.757 1.00 0.00 C ATOM 686 O ALA A 170 8.756 -9.771 -0.418 1.00 0.00 O ATOM 687 CB ALA A 170 7.004 -10.053 -2.531 1.00 0.00 C ATOM 688 OXT ALA A 170 9.249 -11.916 -0.441 1.00 0.00 O ATOM 0 H ALA A 170 5.760 -10.674 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 170 7.476 -12.112 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.879 -9.865 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.150 -10.288 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 170 6.782 -9.165 -1.939 1.00 0.00 H new