USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=6 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 152 THR OG1 : rot 180:sc= 0.0303 USER MOD Set 1.2: A 159 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -7.94! C(o=-7.9!,f=-9.1!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot -36:sc= 0.00308 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 137:sc= -0.21 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 131 -4.328 5.990 -2.437 1.00 0.00 N ATOM 71 CA LEU A 131 -3.156 5.824 -1.586 1.00 0.00 C ATOM 72 C LEU A 131 -3.291 6.645 -0.307 1.00 0.00 C ATOM 73 O LEU A 131 -3.985 7.661 -0.282 1.00 0.00 O ATOM 74 CB LEU A 131 -1.892 6.238 -2.343 1.00 0.00 C ATOM 75 CG LEU A 131 -1.202 5.112 -3.116 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.572 4.113 -2.158 1.00 0.00 C ATOM 77 CD2 LEU A 131 -2.190 4.418 -4.041 1.00 0.00 C ATOM 0 HA LEU A 131 -3.080 4.772 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.150 7.033 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.181 6.658 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.410 5.548 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.086 3.320 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.167 4.620 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.345 3.682 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.682 3.620 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -3.005 3.996 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.592 5.140 -4.751 1.00 0.00 H new ATOM 89 N SER A 132 -2.625 6.197 0.752 1.00 0.00 N ATOM 90 CA SER A 132 -2.671 6.892 2.034 1.00 0.00 C ATOM 91 C SER A 132 -1.398 7.704 2.260 1.00 0.00 C ATOM 92 O SER A 132 -0.375 7.461 1.621 1.00 0.00 O ATOM 93 CB SER A 132 -2.866 5.889 3.173 1.00 0.00 C ATOM 94 OG SER A 132 -4.093 6.114 3.847 1.00 0.00 O ATOM 0 H SER A 132 -2.047 5.356 0.748 1.00 0.00 H new ATOM 0 HA SER A 132 -3.517 7.580 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.847 4.874 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.039 5.970 3.879 1.00 0.00 H new ATOM 0 HG SER A 132 -4.195 5.459 4.569 1.00 0.00 H new ATOM 100 N PRO A 133 -1.448 8.689 3.174 1.00 0.00 N ATOM 101 CA PRO A 133 -0.297 9.547 3.481 1.00 0.00 C ATOM 102 C PRO A 133 0.891 8.763 4.032 1.00 0.00 C ATOM 103 O PRO A 133 1.995 8.832 3.493 1.00 0.00 O ATOM 104 CB PRO A 133 -0.833 10.515 4.543 1.00 0.00 C ATOM 105 CG PRO A 133 -2.317 10.448 4.420 1.00 0.00 C ATOM 106 CD PRO A 133 -2.630 9.050 3.973 1.00 0.00 C ATOM 0 HA PRO A 133 0.080 10.042 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.507 10.224 5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.469 11.528 4.372 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.798 10.671 5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.683 11.180 3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.767 8.376 4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.545 9.010 3.382 1.00 0.00 H new ATOM 114 N ALA A 134 0.661 8.025 5.115 1.00 0.00 N ATOM 115 CA ALA A 134 1.718 7.240 5.741 1.00 0.00 C ATOM 116 C ALA A 134 2.204 6.126 4.820 1.00 0.00 C ATOM 117 O ALA A 134 3.410 5.945 4.625 1.00 0.00 O ATOM 118 CB ALA A 134 1.229 6.659 7.060 1.00 0.00 C ATOM 0 H ALA A 134 -0.246 7.955 5.576 1.00 0.00 H new ATOM 0 HA ALA A 134 2.560 7.904 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.027 6.075 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.942 7.469 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.368 6.016 6.877 1.00 0.00 H new ATOM 124 N ILE A 135 1.267 5.378 4.250 1.00 0.00 N ATOM 125 CA ILE A 135 1.625 4.290 3.353 1.00 0.00 C ATOM 126 C ILE A 135 2.398 4.815 2.154 1.00 0.00 C ATOM 127 O ILE A 135 3.404 4.236 1.765 1.00 0.00 O ATOM 128 CB ILE A 135 0.393 3.504 2.862 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.286 2.794 4.038 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.804 2.498 1.790 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.757 3.119 4.175 1.00 0.00 C ATOM 0 H ILE A 135 0.265 5.504 4.392 1.00 0.00 H new ATOM 0 HA ILE A 135 2.253 3.608 3.927 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.320 4.203 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.170 1.717 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.225 3.068 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.074 1.949 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.250 3.026 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.530 1.800 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.171 2.581 5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.880 4.191 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -2.282 2.819 3.268 1.00 0.00 H new ATOM 143 N ARG A 136 1.934 5.916 1.570 1.00 0.00 N ATOM 144 CA ARG A 136 2.614 6.496 0.417 1.00 0.00 C ATOM 145 C ARG A 136 4.099 6.644 0.712 1.00 0.00 C ATOM 146 O ARG A 136 4.942 6.440 -0.161 1.00 0.00 O ATOM 147 CB ARG A 136 2.009 7.854 0.053 1.00 0.00 C ATOM 148 CG ARG A 136 0.940 7.776 -1.027 1.00 0.00 C ATOM 149 CD ARG A 136 1.273 8.672 -2.209 1.00 0.00 C ATOM 150 NE ARG A 136 0.538 8.288 -3.412 1.00 0.00 N ATOM 151 CZ ARG A 136 0.521 9.008 -4.532 1.00 0.00 C ATOM 152 NH1 ARG A 136 1.197 10.148 -4.606 1.00 0.00 N ATOM 153 NH2 ARG A 136 -0.173 8.586 -5.580 1.00 0.00 N ATOM 0 H ARG A 136 1.100 6.419 1.872 1.00 0.00 H new ATOM 0 HA ARG A 136 2.483 5.827 -0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.577 8.301 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.805 8.518 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.840 6.745 -1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.023 8.068 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.040 9.706 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.344 8.626 -2.408 1.00 0.00 H new ATOM 0 HE ARG A 136 0.007 7.417 -3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.733 10.476 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.181 10.696 -5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.693 7.710 -5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.186 9.137 -6.438 1.00 0.00 H new ATOM 167 N ARG A 137 4.407 6.967 1.960 1.00 0.00 N ATOM 168 CA ARG A 137 5.788 7.102 2.385 1.00 0.00 C ATOM 169 C ARG A 137 6.433 5.726 2.418 1.00 0.00 C ATOM 170 O ARG A 137 7.573 5.546 1.988 1.00 0.00 O ATOM 171 CB ARG A 137 5.862 7.751 3.767 1.00 0.00 C ATOM 172 CG ARG A 137 7.181 8.455 4.040 1.00 0.00 C ATOM 173 CD ARG A 137 6.971 9.771 4.771 1.00 0.00 C ATOM 174 NE ARG A 137 8.024 10.739 4.472 1.00 0.00 N ATOM 175 CZ ARG A 137 7.916 12.046 4.697 1.00 0.00 C ATOM 176 NH1 ARG A 137 6.805 12.546 5.224 1.00 0.00 N ATOM 177 NH2 ARG A 137 8.922 12.856 4.394 1.00 0.00 N ATOM 0 H ARG A 137 3.719 7.140 2.693 1.00 0.00 H new ATOM 0 HA ARG A 137 6.321 7.741 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.049 8.470 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.704 6.986 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.824 7.806 4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.698 8.640 3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.004 10.190 4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.941 9.588 5.845 1.00 0.00 H new ATOM 0 HE ARG A 137 8.893 10.392 4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 137 6.029 11.927 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 137 6.728 13.549 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 137 9.778 12.477 3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.840 13.858 4.566 1.00 0.00 H new ATOM 191 N LEU A 138 5.680 4.754 2.924 1.00 0.00 N ATOM 192 CA LEU A 138 6.161 3.380 3.007 1.00 0.00 C ATOM 193 C LEU A 138 6.461 2.821 1.617 1.00 0.00 C ATOM 194 O LEU A 138 7.561 2.334 1.359 1.00 0.00 O ATOM 195 CB LEU A 138 5.129 2.494 3.708 1.00 0.00 C ATOM 196 CG LEU A 138 5.550 1.035 3.875 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.743 0.930 4.815 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.392 0.196 4.390 1.00 0.00 C ATOM 0 H LEU A 138 4.735 4.893 3.282 1.00 0.00 H new ATOM 0 HA LEU A 138 7.083 3.383 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.919 2.913 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.198 2.527 3.143 1.00 0.00 H new ATOM 0 HG LEU A 138 5.843 0.650 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.030 -0.116 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.580 1.496 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.474 1.335 5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.714 -0.839 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.066 0.581 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.565 0.244 3.682 1.00 0.00 H new ATOM 210 N LEU A 139 5.482 2.907 0.717 1.00 0.00 N ATOM 211 CA LEU A 139 5.651 2.419 -0.645 1.00 0.00 C ATOM 212 C LEU A 139 6.804 3.143 -1.317 1.00 0.00 C ATOM 213 O LEU A 139 7.572 2.552 -2.077 1.00 0.00 O ATOM 214 CB LEU A 139 4.364 2.622 -1.448 1.00 0.00 C ATOM 215 CG LEU A 139 3.262 1.596 -1.175 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.890 2.243 -1.293 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.382 0.419 -2.131 1.00 0.00 C ATOM 0 H LEU A 139 4.565 3.310 0.909 1.00 0.00 H new ATOM 0 HA LEU A 139 5.874 1.353 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.974 3.617 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.608 2.596 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 139 3.380 1.225 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.119 1.499 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.806 3.053 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.761 2.641 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.591 -0.301 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.289 0.773 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.352 -0.060 -1.999 1.00 0.00 H new ATOM 229 N ALA A 140 6.926 4.430 -1.015 1.00 0.00 N ATOM 230 CA ALA A 140 7.995 5.246 -1.571 1.00 0.00 C ATOM 231 C ALA A 140 9.353 4.703 -1.143 1.00 0.00 C ATOM 232 O ALA A 140 10.304 4.686 -1.923 1.00 0.00 O ATOM 233 CB ALA A 140 7.838 6.695 -1.137 1.00 0.00 C ATOM 0 H ALA A 140 6.296 4.930 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 140 7.934 5.205 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.646 7.291 -1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.880 7.078 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.876 6.755 -0.049 1.00 0.00 H new ATOM 239 N GLU A 141 9.427 4.252 0.106 1.00 0.00 N ATOM 240 CA GLU A 141 10.658 3.696 0.648 1.00 0.00 C ATOM 241 C GLU A 141 10.934 2.324 0.047 1.00 0.00 C ATOM 242 O GLU A 141 12.040 2.046 -0.415 1.00 0.00 O ATOM 243 CB GLU A 141 10.569 3.591 2.172 1.00 0.00 C ATOM 244 CG GLU A 141 10.504 4.938 2.872 1.00 0.00 C ATOM 245 CD GLU A 141 11.841 5.652 2.887 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.716 5.257 3.688 1.00 0.00 O ATOM 247 OE2 GLU A 141 12.016 6.604 2.099 1.00 0.00 O ATOM 0 H GLU A 141 8.646 4.262 0.761 1.00 0.00 H new ATOM 0 HA GLU A 141 11.479 4.364 0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.685 3.010 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.434 3.041 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.766 5.567 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.161 4.795 3.897 1.00 0.00 H new ATOM 254 N HIS A 142 9.914 1.476 0.054 1.00 0.00 N ATOM 255 CA HIS A 142 10.030 0.131 -0.496 1.00 0.00 C ATOM 256 C HIS A 142 10.155 0.172 -2.018 1.00 0.00 C ATOM 257 O HIS A 142 10.575 -0.802 -2.641 1.00 0.00 O ATOM 258 CB HIS A 142 8.816 -0.714 -0.101 1.00 0.00 C ATOM 259 CG HIS A 142 8.792 -1.102 1.346 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.336 -2.277 1.820 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.274 -0.469 2.425 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.151 -2.349 3.127 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.511 -1.264 3.518 1.00 0.00 N ATOM 0 H HIS A 142 8.994 1.696 0.436 1.00 0.00 H new ATOM 0 HA HIS A 142 10.932 -0.322 -0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.908 -0.158 -0.333 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.801 -1.618 -0.710 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.807 -2.980 1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.768 0.485 2.425 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.470 -3.159 3.766 1.00 0.00 H new ATOM 272 N ASN A 143 9.785 1.307 -2.611 1.00 0.00 N ATOM 273 CA ASN A 143 9.852 1.475 -4.058 1.00 0.00 C ATOM 274 C ASN A 143 8.890 0.520 -4.759 1.00 0.00 C ATOM 275 O ASN A 143 9.301 -0.299 -5.582 1.00 0.00 O ATOM 276 CB ASN A 143 11.280 1.247 -4.559 1.00 0.00 C ATOM 277 CG ASN A 143 12.269 2.222 -3.949 1.00 0.00 C ATOM 278 OD1 ASN A 143 13.146 1.833 -3.178 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.131 3.497 -4.293 1.00 0.00 N ATOM 0 H ASN A 143 9.436 2.123 -2.109 1.00 0.00 H new ATOM 0 HA ASN A 143 9.557 2.497 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.586 0.228 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.301 1.344 -5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.767 4.199 -3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.389 3.774 -4.936 1.00 0.00 H new ATOM 286 N LEU A 144 7.607 0.631 -4.428 1.00 0.00 N ATOM 287 CA LEU A 144 6.588 -0.223 -5.026 1.00 0.00 C ATOM 288 C LEU A 144 5.481 0.605 -5.664 1.00 0.00 C ATOM 289 O LEU A 144 5.494 1.836 -5.605 1.00 0.00 O ATOM 290 CB LEU A 144 5.987 -1.155 -3.973 1.00 0.00 C ATOM 291 CG LEU A 144 6.992 -1.760 -2.997 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.274 -2.448 -1.848 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.908 -2.737 -3.719 1.00 0.00 C ATOM 0 H LEU A 144 7.249 1.303 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 144 7.069 -0.817 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.239 -0.602 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.465 -1.965 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 144 7.601 -0.956 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.008 -2.873 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.659 -1.722 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.640 -3.243 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.619 -3.160 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.313 -3.538 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.449 -2.214 -4.507 1.00 0.00 H new ATOM 305 N ASP A 145 4.521 -0.083 -6.269 1.00 0.00 N ATOM 306 CA ASP A 145 3.395 0.575 -6.919 1.00 0.00 C ATOM 307 C ASP A 145 2.074 0.046 -6.372 1.00 0.00 C ATOM 308 O ASP A 145 1.918 -1.155 -6.153 1.00 0.00 O ATOM 309 CB ASP A 145 3.455 0.365 -8.432 1.00 0.00 C ATOM 310 CG ASP A 145 2.550 1.319 -9.186 1.00 0.00 C ATOM 311 OD1 ASP A 145 2.681 2.545 -8.986 1.00 0.00 O ATOM 312 OD2 ASP A 145 1.710 0.841 -9.977 1.00 0.00 O ATOM 0 H ASP A 145 4.500 -1.101 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 145 3.457 1.643 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.482 0.497 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.171 -0.661 -8.665 1.00 0.00 H new ATOM 317 N ALA A 146 1.125 0.950 -6.153 1.00 0.00 N ATOM 318 CA ALA A 146 -0.183 0.574 -5.631 1.00 0.00 C ATOM 319 C ALA A 146 -0.819 -0.528 -6.474 1.00 0.00 C ATOM 320 O ALA A 146 -1.357 -1.500 -5.943 1.00 0.00 O ATOM 321 CB ALA A 146 -1.093 1.791 -5.574 1.00 0.00 C ATOM 0 H ALA A 146 1.238 1.948 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.047 0.185 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.067 1.499 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.652 2.545 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.213 2.203 -6.576 1.00 0.00 H new ATOM 327 N SER A 147 -0.748 -0.370 -7.792 1.00 0.00 N ATOM 328 CA SER A 147 -1.314 -1.352 -8.711 1.00 0.00 C ATOM 329 C SER A 147 -0.605 -2.700 -8.589 1.00 0.00 C ATOM 330 O SER A 147 -1.120 -3.721 -9.045 1.00 0.00 O ATOM 331 CB SER A 147 -1.220 -0.843 -10.151 1.00 0.00 C ATOM 332 OG SER A 147 -2.149 -1.510 -10.989 1.00 0.00 O ATOM 0 H SER A 147 -0.305 0.428 -8.247 1.00 0.00 H new ATOM 0 HA SER A 147 -2.362 -1.494 -8.446 1.00 0.00 H new ATOM 0 HB2 SER A 147 -1.410 0.230 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.209 -0.996 -10.529 1.00 0.00 H new ATOM 0 HG SER A 147 -2.228 -2.446 -10.710 1.00 0.00 H new ATOM 338 N ALA A 148 0.576 -2.700 -7.976 1.00 0.00 N ATOM 339 CA ALA A 148 1.343 -3.928 -7.802 1.00 0.00 C ATOM 340 C ALA A 148 1.003 -4.611 -6.481 1.00 0.00 C ATOM 341 O ALA A 148 1.291 -5.793 -6.291 1.00 0.00 O ATOM 342 CB ALA A 148 2.834 -3.632 -7.878 1.00 0.00 C ATOM 0 H ALA A 148 1.021 -1.866 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 148 1.076 -4.610 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.396 -4.557 -7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.070 -3.199 -8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.106 -2.928 -7.092 1.00 0.00 H new ATOM 348 N ILE A 149 0.391 -3.862 -5.567 1.00 0.00 N ATOM 349 CA ILE A 149 0.017 -4.401 -4.264 1.00 0.00 C ATOM 350 C ILE A 149 -1.491 -4.298 -4.049 1.00 0.00 C ATOM 351 O ILE A 149 -2.179 -3.564 -4.758 1.00 0.00 O ATOM 352 CB ILE A 149 0.753 -3.674 -3.118 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.146 -3.227 -3.579 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.854 -4.580 -1.895 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.003 -2.654 -2.471 1.00 0.00 C ATOM 0 H ILE A 149 0.144 -2.882 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 149 0.311 -5.450 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 149 0.182 -2.787 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.663 -4.079 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.036 -2.479 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.375 -4.054 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.147 -4.851 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.406 -5.483 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.972 -2.361 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.509 -1.781 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.146 -3.406 -1.695 1.00 0.00 H new ATOM 367 N LYS A 150 -1.999 -5.045 -3.075 1.00 0.00 N ATOM 368 CA LYS A 150 -3.428 -5.044 -2.778 1.00 0.00 C ATOM 369 C LYS A 150 -3.837 -3.784 -2.023 1.00 0.00 C ATOM 370 O LYS A 150 -2.994 -3.061 -1.495 1.00 0.00 O ATOM 371 CB LYS A 150 -3.800 -6.284 -1.963 1.00 0.00 C ATOM 372 CG LYS A 150 -5.138 -6.890 -2.356 1.00 0.00 C ATOM 373 CD LYS A 150 -5.315 -8.278 -1.760 1.00 0.00 C ATOM 374 CE LYS A 150 -6.754 -8.522 -1.330 1.00 0.00 C ATOM 375 NZ LYS A 150 -7.272 -9.822 -1.836 1.00 0.00 N ATOM 0 H LYS A 150 -1.444 -5.658 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.966 -5.061 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.020 -7.036 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -3.826 -6.020 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.946 -6.241 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.208 -6.947 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -5.021 -9.030 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.653 -8.393 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -6.815 -8.506 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -7.385 -7.712 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -8.255 -9.950 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -7.238 -9.829 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -6.686 -10.597 -1.465 1.00 0.00 H new ATOM 389 N GLY A 151 -5.142 -3.531 -1.975 1.00 0.00 N ATOM 390 CA GLY A 151 -5.652 -2.363 -1.282 1.00 0.00 C ATOM 391 C GLY A 151 -7.024 -2.607 -0.682 1.00 0.00 C ATOM 392 O GLY A 151 -8.039 -2.481 -1.368 1.00 0.00 O ATOM 0 H GLY A 151 -5.857 -4.117 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.957 -2.079 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.705 -1.525 -1.977 1.00 0.00 H new ATOM 396 N THR A 152 -7.056 -2.963 0.598 1.00 0.00 N ATOM 397 CA THR A 152 -8.314 -3.232 1.285 1.00 0.00 C ATOM 398 C THR A 152 -8.819 -1.997 2.027 1.00 0.00 C ATOM 399 O THR A 152 -9.624 -2.105 2.952 1.00 0.00 O ATOM 400 CB THR A 152 -8.144 -4.394 2.264 1.00 0.00 C ATOM 401 OG1 THR A 152 -6.926 -4.276 2.977 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.153 -5.749 1.591 1.00 0.00 C ATOM 0 H THR A 152 -6.226 -3.072 1.180 1.00 0.00 H new ATOM 0 HA THR A 152 -9.054 -3.501 0.531 1.00 0.00 H new ATOM 0 HB THR A 152 -9.001 -4.334 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.837 -5.028 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.028 -6.529 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.102 -5.892 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.336 -5.804 0.872 1.00 0.00 H new ATOM 410 N GLY A 153 -8.346 -0.823 1.617 1.00 0.00 N ATOM 411 CA GLY A 153 -8.769 0.408 2.257 1.00 0.00 C ATOM 412 C GLY A 153 -10.234 0.711 2.014 1.00 0.00 C ATOM 413 O GLY A 153 -10.947 -0.088 1.407 1.00 0.00 O ATOM 0 H GLY A 153 -7.679 -0.704 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.588 0.337 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.163 1.234 1.885 1.00 0.00 H new ATOM 417 N VAL A 154 -10.685 1.868 2.486 1.00 0.00 N ATOM 418 CA VAL A 154 -12.076 2.272 2.314 1.00 0.00 C ATOM 419 C VAL A 154 -12.413 2.464 0.838 1.00 0.00 C ATOM 420 O VAL A 154 -12.243 3.552 0.290 1.00 0.00 O ATOM 421 CB VAL A 154 -12.382 3.577 3.072 1.00 0.00 C ATOM 422 CG1 VAL A 154 -13.873 3.877 3.042 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.876 3.493 4.503 1.00 0.00 C ATOM 0 H VAL A 154 -10.109 2.542 2.990 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.690 1.471 2.725 1.00 0.00 H new ATOM 0 HB VAL A 154 -11.862 4.395 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.069 4.803 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.202 3.984 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.418 3.059 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.101 4.424 5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.366 2.664 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.798 3.331 4.499 1.00 0.00 H new ATOM 433 N GLY A 155 -12.892 1.400 0.203 1.00 0.00 N ATOM 434 CA GLY A 155 -13.245 1.471 -1.203 1.00 0.00 C ATOM 435 C GLY A 155 -12.105 1.053 -2.109 1.00 0.00 C ATOM 436 O GLY A 155 -11.961 1.571 -3.217 1.00 0.00 O ATOM 0 H GLY A 155 -13.042 0.489 0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.107 0.831 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.545 2.490 -1.448 1.00 0.00 H new ATOM 440 N GLY A 156 -11.291 0.111 -1.639 1.00 0.00 N ATOM 441 CA GLY A 156 -10.168 -0.361 -2.428 1.00 0.00 C ATOM 442 C GLY A 156 -9.005 0.611 -2.423 1.00 0.00 C ATOM 443 O GLY A 156 -8.685 1.212 -3.449 1.00 0.00 O ATOM 0 H GLY A 156 -11.390 -0.333 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.834 -1.323 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.494 -0.527 -3.455 1.00 0.00 H new ATOM 447 N ARG A 157 -8.373 0.769 -1.264 1.00 0.00 N ATOM 448 CA ARG A 157 -7.239 1.677 -1.130 1.00 0.00 C ATOM 449 C ARG A 157 -6.061 0.982 -0.452 1.00 0.00 C ATOM 450 O ARG A 157 -6.245 0.160 0.445 1.00 0.00 O ATOM 451 CB ARG A 157 -7.638 2.919 -0.328 1.00 0.00 C ATOM 452 CG ARG A 157 -9.063 3.386 -0.586 1.00 0.00 C ATOM 453 CD ARG A 157 -9.181 4.898 -0.480 1.00 0.00 C ATOM 454 NE ARG A 157 -8.730 5.393 0.818 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.940 6.634 1.254 1.00 0.00 C ATOM 456 NH1 ARG A 157 -9.591 7.507 0.497 1.00 0.00 N ATOM 457 NH2 ARG A 157 -8.496 7.001 2.448 1.00 0.00 N ATOM 0 H ARG A 157 -8.627 0.281 -0.405 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.935 1.982 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.522 2.706 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.951 3.731 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.379 3.064 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.736 2.916 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.592 5.364 -1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.218 5.193 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.224 4.750 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.933 7.229 -0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.750 8.456 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.994 6.333 3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.657 7.951 2.782 1.00 0.00 H new ATOM 471 N LEU A 158 -4.851 1.322 -0.887 1.00 0.00 N ATOM 472 CA LEU A 158 -3.639 0.736 -0.323 1.00 0.00 C ATOM 473 C LEU A 158 -3.562 0.999 1.178 1.00 0.00 C ATOM 474 O LEU A 158 -3.710 2.137 1.626 1.00 0.00 O ATOM 475 CB LEU A 158 -2.403 1.317 -1.016 1.00 0.00 C ATOM 476 CG LEU A 158 -1.212 0.364 -1.139 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.770 -0.124 0.231 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.559 -0.812 -2.039 1.00 0.00 C ATOM 0 H LEU A 158 -4.684 2.001 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.670 -0.341 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.688 1.646 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.083 2.203 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.384 0.910 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.078 -0.800 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.477 0.728 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.594 -0.651 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.700 -1.479 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.404 -1.356 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.822 -0.446 -3.031 1.00 0.00 H new ATOM 490 N THR A 159 -3.331 -0.056 1.954 1.00 0.00 N ATOM 491 CA THR A 159 -3.237 0.074 3.405 1.00 0.00 C ATOM 492 C THR A 159 -1.998 -0.639 3.942 1.00 0.00 C ATOM 493 O THR A 159 -1.405 -1.480 3.260 1.00 0.00 O ATOM 494 CB THR A 159 -4.496 -0.483 4.076 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.388 -1.016 3.113 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.255 0.555 4.875 1.00 0.00 C ATOM 0 H THR A 159 -3.206 -1.006 1.605 1.00 0.00 H new ATOM 0 HA THR A 159 -3.150 1.135 3.640 1.00 0.00 H new ATOM 0 HB THR A 159 -4.140 -1.258 4.755 1.00 0.00 H new ATOM 0 HG1 THR A 159 -5.091 -1.913 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.136 0.096 5.324 1.00 0.00 H new ATOM 0 HG22 THR A 159 -4.612 0.951 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.565 1.366 4.216 1.00 0.00 H new ATOM 504 N ARG A 160 -1.615 -0.300 5.171 1.00 0.00 N ATOM 505 CA ARG A 160 -0.448 -0.906 5.803 1.00 0.00 C ATOM 506 C ARG A 160 -0.577 -2.423 5.820 1.00 0.00 C ATOM 507 O ARG A 160 0.409 -3.143 5.664 1.00 0.00 O ATOM 508 CB ARG A 160 -0.280 -0.377 7.228 1.00 0.00 C ATOM 509 CG ARG A 160 0.958 -0.909 7.933 1.00 0.00 C ATOM 510 CD ARG A 160 1.589 0.147 8.826 1.00 0.00 C ATOM 511 NE ARG A 160 1.215 -0.027 10.227 1.00 0.00 N ATOM 512 CZ ARG A 160 1.667 -1.012 10.999 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.510 -1.914 10.509 1.00 0.00 N ATOM 514 NH2 ARG A 160 1.276 -1.097 12.263 1.00 0.00 N ATOM 0 H ARG A 160 -2.096 0.390 5.748 1.00 0.00 H new ATOM 0 HA ARG A 160 0.435 -0.638 5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.232 0.712 7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -1.162 -0.642 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.691 -1.780 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.685 -1.242 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.674 0.100 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.282 1.137 8.489 1.00 0.00 H new ATOM 0 HE ARG A 160 0.569 0.647 10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.814 -1.853 9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.854 -2.667 11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 160 0.628 -0.407 12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 160 1.623 -1.852 12.854 1.00 0.00 H new ATOM 528 N GLU A 161 -1.803 -2.902 5.994 1.00 0.00 N ATOM 529 CA GLU A 161 -2.064 -4.333 6.011 1.00 0.00 C ATOM 530 C GLU A 161 -1.717 -4.941 4.658 1.00 0.00 C ATOM 531 O GLU A 161 -1.203 -6.057 4.578 1.00 0.00 O ATOM 532 CB GLU A 161 -3.531 -4.605 6.350 1.00 0.00 C ATOM 533 CG GLU A 161 -3.970 -4.004 7.675 1.00 0.00 C ATOM 534 CD GLU A 161 -3.377 -4.727 8.868 1.00 0.00 C ATOM 535 OE1 GLU A 161 -3.154 -5.951 8.770 1.00 0.00 O ATOM 536 OE2 GLU A 161 -3.133 -4.067 9.901 1.00 0.00 O ATOM 0 H GLU A 161 -2.630 -2.320 6.125 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.440 -4.793 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.159 -4.206 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.696 -5.682 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.677 -2.955 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -5.058 -4.034 7.741 1.00 0.00 H new ATOM 543 N ASP A 162 -1.997 -4.190 3.597 1.00 0.00 N ATOM 544 CA ASP A 162 -1.709 -4.644 2.243 1.00 0.00 C ATOM 545 C ASP A 162 -0.207 -4.770 2.031 1.00 0.00 C ATOM 546 O ASP A 162 0.285 -5.810 1.593 1.00 0.00 O ATOM 547 CB ASP A 162 -2.300 -3.674 1.221 1.00 0.00 C ATOM 548 CG ASP A 162 -3.815 -3.694 1.212 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.393 -4.737 0.837 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.424 -2.670 1.582 1.00 0.00 O ATOM 0 H ASP A 162 -2.423 -3.265 3.650 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.166 -5.624 2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.954 -2.664 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.930 -3.928 0.228 1.00 0.00 H new ATOM 555 N VAL A 163 0.519 -3.704 2.352 1.00 0.00 N ATOM 556 CA VAL A 163 1.968 -3.700 2.201 1.00 0.00 C ATOM 557 C VAL A 163 2.601 -4.806 3.038 1.00 0.00 C ATOM 558 O VAL A 163 3.631 -5.367 2.666 1.00 0.00 O ATOM 559 CB VAL A 163 2.576 -2.345 2.610 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.072 -2.318 2.325 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.867 -1.207 1.892 1.00 0.00 C ATOM 0 H VAL A 163 0.129 -2.835 2.717 1.00 0.00 H new ATOM 0 HA VAL A 163 2.180 -3.874 1.146 1.00 0.00 H new ATOM 0 HB VAL A 163 2.435 -2.213 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.481 -1.352 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.564 -3.110 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.242 -2.473 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.308 -0.257 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.975 -1.333 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.809 -1.214 2.154 1.00 0.00 H new ATOM 571 N GLU A 164 1.971 -5.120 4.166 1.00 0.00 N ATOM 572 CA GLU A 164 2.469 -6.167 5.050 1.00 0.00 C ATOM 573 C GLU A 164 2.352 -7.529 4.376 1.00 0.00 C ATOM 574 O GLU A 164 3.306 -8.306 4.352 1.00 0.00 O ATOM 575 CB GLU A 164 1.696 -6.165 6.369 1.00 0.00 C ATOM 576 CG GLU A 164 2.119 -5.057 7.320 1.00 0.00 C ATOM 577 CD GLU A 164 3.483 -5.306 7.934 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.735 -6.444 8.380 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.299 -4.360 7.969 1.00 0.00 O ATOM 0 H GLU A 164 1.117 -4.665 4.488 1.00 0.00 H new ATOM 0 HA GLU A 164 3.520 -5.969 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.632 -6.064 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.832 -7.127 6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.134 -4.108 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.379 -4.962 8.114 1.00 0.00 H new ATOM 586 N LYS A 165 1.177 -7.807 3.818 1.00 0.00 N ATOM 587 CA LYS A 165 0.941 -9.071 3.133 1.00 0.00 C ATOM 588 C LYS A 165 1.879 -9.208 1.939 1.00 0.00 C ATOM 589 O LYS A 165 2.455 -10.270 1.705 1.00 0.00 O ATOM 590 CB LYS A 165 -0.515 -9.163 2.671 1.00 0.00 C ATOM 591 CG LYS A 165 -1.522 -8.936 3.787 1.00 0.00 C ATOM 592 CD LYS A 165 -2.762 -8.215 3.280 1.00 0.00 C ATOM 593 CE LYS A 165 -3.824 -9.196 2.805 1.00 0.00 C ATOM 594 NZ LYS A 165 -5.069 -9.103 3.617 1.00 0.00 N ATOM 0 H LYS A 165 0.376 -7.175 3.827 1.00 0.00 H new ATOM 0 HA LYS A 165 1.139 -9.885 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.685 -8.428 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.687 -10.146 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.809 -9.894 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -1.060 -8.352 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -3.171 -7.591 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.488 -7.550 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -4.058 -9.000 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.431 -10.211 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.767 -9.787 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -4.851 -9.315 4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.459 -8.142 3.546 1.00 0.00 H new ATOM 608 N TRP A 166 2.033 -8.118 1.193 1.00 0.00 N ATOM 609 CA TRP A 166 2.909 -8.103 0.028 1.00 0.00 C ATOM 610 C TRP A 166 4.364 -8.267 0.457 1.00 0.00 C ATOM 611 O TRP A 166 5.118 -9.034 -0.141 1.00 0.00 O ATOM 612 CB TRP A 166 2.730 -6.794 -0.746 1.00 0.00 C ATOM 613 CG TRP A 166 3.708 -6.619 -1.871 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.492 -6.864 -3.197 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.058 -6.158 -1.765 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.629 -6.590 -3.918 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.604 -6.157 -3.061 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.857 -5.749 -0.697 1.00 0.00 C ATOM 619 CZ2 TRP A 166 6.915 -5.763 -3.316 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.158 -5.358 -0.950 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.675 -5.368 -2.251 1.00 0.00 C ATOM 0 H TRP A 166 1.561 -7.232 1.376 1.00 0.00 H new ATOM 0 HA TRP A 166 2.642 -8.936 -0.622 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.717 -6.755 -1.147 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.831 -5.957 -0.055 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.563 -7.221 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.730 -6.693 -4.928 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.466 -5.738 0.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.317 -5.769 -4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.786 -5.040 -0.131 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.696 -5.057 -2.417 1.00 0.00 H new ATOM 632 N LEU A 167 4.749 -7.537 1.499 1.00 0.00 N ATOM 633 CA LEU A 167 6.113 -7.596 2.015 1.00 0.00 C ATOM 634 C LEU A 167 6.472 -9.018 2.434 1.00 0.00 C ATOM 635 O LEU A 167 7.619 -9.442 2.304 1.00 0.00 O ATOM 636 CB LEU A 167 6.272 -6.645 3.203 1.00 0.00 C ATOM 637 CG LEU A 167 6.589 -5.196 2.833 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.356 -4.275 4.020 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.021 -5.075 2.336 1.00 0.00 C ATOM 0 H LEU A 167 4.135 -6.897 2.003 1.00 0.00 H new ATOM 0 HA LEU A 167 6.792 -7.288 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.353 -6.662 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.067 -7.022 3.847 1.00 0.00 H new ATOM 0 HG LEU A 167 5.918 -4.893 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.588 -3.249 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.313 -4.339 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.000 -4.576 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.230 -4.037 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.707 -5.398 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.155 -5.703 1.455 1.00 0.00 H new ATOM 651 N ALA A 168 5.483 -9.745 2.939 1.00 0.00 N ATOM 652 CA ALA A 168 5.691 -11.119 3.380 1.00 0.00 C ATOM 653 C ALA A 168 5.615 -12.091 2.207 1.00 0.00 C ATOM 654 O ALA A 168 6.296 -13.116 2.193 1.00 0.00 O ATOM 655 CB ALA A 168 4.671 -11.493 4.445 1.00 0.00 C ATOM 0 H ALA A 168 4.528 -9.406 3.053 1.00 0.00 H new ATOM 0 HA ALA A 168 6.690 -11.188 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.839 -12.522 4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.777 -10.826 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.666 -11.400 4.034 1.00 0.00 H new ATOM 661 N LYS A 169 4.783 -11.761 1.225 1.00 0.00 N ATOM 662 CA LYS A 169 4.618 -12.606 0.047 1.00 0.00 C ATOM 663 C LYS A 169 5.526 -12.136 -1.089 1.00 0.00 C ATOM 664 O LYS A 169 5.055 -11.758 -2.162 1.00 0.00 O ATOM 665 CB LYS A 169 3.153 -12.608 -0.404 1.00 0.00 C ATOM 666 CG LYS A 169 2.501 -13.979 -0.340 1.00 0.00 C ATOM 667 CD LYS A 169 1.729 -14.169 0.956 1.00 0.00 C ATOM 668 CE LYS A 169 1.571 -15.641 1.300 1.00 0.00 C ATOM 669 NZ LYS A 169 2.886 -16.336 1.383 1.00 0.00 N ATOM 0 H LYS A 169 4.213 -10.915 1.221 1.00 0.00 H new ATOM 0 HA LYS A 169 4.904 -13.624 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.588 -11.916 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.095 -12.234 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 169 1.827 -14.102 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.266 -14.751 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.247 -13.658 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 169 0.745 -13.708 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.049 -15.737 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.951 -16.126 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 2.895 -16.964 2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 3.036 -16.898 0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 3.646 -15.632 1.474 1.00 0.00 H new ATOM 683 N ALA A 170 6.831 -12.161 -0.843 1.00 0.00 N ATOM 684 CA ALA A 170 7.806 -11.740 -1.841 1.00 0.00 C ATOM 685 C ALA A 170 9.228 -12.047 -1.384 1.00 0.00 C ATOM 686 O ALA A 170 10.144 -12.001 -2.231 1.00 0.00 O ATOM 687 CB ALA A 170 7.652 -10.254 -2.132 1.00 0.00 C ATOM 688 OXT ALA A 170 9.414 -12.329 -0.182 1.00 0.00 O ATOM 0 H ALA A 170 7.238 -12.469 0.040 1.00 0.00 H new ATOM 0 HA ALA A 170 7.619 -12.301 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.386 -9.952 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.648 -10.059 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.811 -9.685 -1.216 1.00 0.00 H new