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 Single : A 132 SER OG : rot 173:sc= -1.18! USER MOD Single : A 142 HIS : no HE2:sc= -7.77! C(o=-7.8!,f=-9.5!) USER MOD Single : A 143 ASN : amide:sc= -0.903 K(o=-0.9,f=-3.6!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00527) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 37:sc= -0.0626! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 155:sc= -0.0502 (180deg=-0.377) USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 131 -4.363 5.942 -1.429 1.00 0.00 N ATOM 71 CA LEU A 131 -3.119 5.780 -0.686 1.00 0.00 C ATOM 72 C LEU A 131 -3.078 6.718 0.515 1.00 0.00 C ATOM 73 O LEU A 131 -3.574 7.843 0.455 1.00 0.00 O ATOM 74 CB LEU A 131 -1.918 6.037 -1.598 1.00 0.00 C ATOM 75 CG LEU A 131 -1.167 4.779 -2.041 1.00 0.00 C ATOM 76 CD1 LEU A 131 -1.616 4.349 -3.428 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.336 5.018 -2.015 1.00 0.00 C ATOM 0 HA LEU A 131 -3.072 4.754 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.261 6.570 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.221 6.696 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.399 3.976 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.071 3.453 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.685 4.136 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.415 5.149 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.854 4.113 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.586 5.836 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.646 5.277 -1.002 1.00 0.00 H new ATOM 89 N SER A 132 -2.485 6.247 1.606 1.00 0.00 N ATOM 90 CA SER A 132 -2.381 7.043 2.823 1.00 0.00 C ATOM 91 C SER A 132 -1.064 7.813 2.859 1.00 0.00 C ATOM 92 O SER A 132 -0.076 7.398 2.255 1.00 0.00 O ATOM 93 CB SER A 132 -2.494 6.144 4.055 1.00 0.00 C ATOM 94 OG SER A 132 -3.594 5.257 3.941 1.00 0.00 O ATOM 0 H SER A 132 -2.069 5.318 1.673 1.00 0.00 H new ATOM 0 HA SER A 132 -3.201 7.762 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.574 5.573 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.609 6.758 4.948 1.00 0.00 H new ATOM 0 HG SER A 132 -3.578 4.619 4.685 1.00 0.00 H new ATOM 100 N PRO A 133 -1.034 8.953 3.571 1.00 0.00 N ATOM 101 CA PRO A 133 0.171 9.782 3.682 1.00 0.00 C ATOM 102 C PRO A 133 1.381 8.981 4.152 1.00 0.00 C ATOM 103 O PRO A 133 2.435 8.999 3.515 1.00 0.00 O ATOM 104 CB PRO A 133 -0.213 10.833 4.726 1.00 0.00 C ATOM 105 CG PRO A 133 -1.699 10.908 4.662 1.00 0.00 C ATOM 106 CD PRO A 133 -2.169 9.522 4.322 1.00 0.00 C ATOM 0 HA PRO A 133 0.464 10.206 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.126 10.544 5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.242 11.798 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.114 11.238 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.021 11.625 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.390 8.941 5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.079 9.542 3.722 1.00 0.00 H new ATOM 114 N ALA A 134 1.223 8.280 5.269 1.00 0.00 N ATOM 115 CA ALA A 134 2.302 7.473 5.825 1.00 0.00 C ATOM 116 C ALA A 134 2.696 6.351 4.870 1.00 0.00 C ATOM 117 O ALA A 134 3.881 6.140 4.594 1.00 0.00 O ATOM 118 CB ALA A 134 1.892 6.902 7.173 1.00 0.00 C ATOM 0 H ALA A 134 0.357 8.254 5.808 1.00 0.00 H new ATOM 0 HA ALA A 134 3.170 8.117 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.707 6.301 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.667 7.717 7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 134 1.008 6.277 7.050 1.00 0.00 H new ATOM 124 N ILE A 135 1.702 5.628 4.365 1.00 0.00 N ATOM 125 CA ILE A 135 1.965 4.532 3.444 1.00 0.00 C ATOM 126 C ILE A 135 2.726 5.020 2.223 1.00 0.00 C ATOM 127 O ILE A 135 3.691 4.392 1.804 1.00 0.00 O ATOM 128 CB ILE A 135 0.677 3.832 2.976 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.108 3.298 4.177 1.00 0.00 C ATOM 130 CG2 ILE A 135 1.021 2.702 2.008 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.549 2.968 3.858 1.00 0.00 C ATOM 0 H ILE A 135 0.716 5.780 4.576 1.00 0.00 H new ATOM 0 HA ILE A 135 2.567 3.811 3.997 1.00 0.00 H new ATOM 0 HB ILE A 135 0.049 4.556 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.386 2.403 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.082 4.038 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.104 2.211 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.542 3.111 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.662 1.977 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.044 2.595 4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.059 3.866 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.584 2.205 3.081 1.00 0.00 H new ATOM 143 N ARG A 136 2.297 6.141 1.652 1.00 0.00 N ATOM 144 CA ARG A 136 2.965 6.685 0.475 1.00 0.00 C ATOM 145 C ARG A 136 4.464 6.757 0.717 1.00 0.00 C ATOM 146 O ARG A 136 5.265 6.493 -0.179 1.00 0.00 O ATOM 147 CB ARG A 136 2.416 8.072 0.133 1.00 0.00 C ATOM 148 CG ARG A 136 1.190 8.037 -0.765 1.00 0.00 C ATOM 149 CD ARG A 136 0.502 9.390 -0.822 1.00 0.00 C ATOM 150 NE ARG A 136 1.416 10.450 -1.242 1.00 0.00 N ATOM 151 CZ ARG A 136 1.876 10.584 -2.483 1.00 0.00 C ATOM 152 NH1 ARG A 136 1.508 9.729 -3.430 1.00 0.00 N ATOM 153 NH2 ARG A 136 2.706 11.575 -2.780 1.00 0.00 N ATOM 0 H ARG A 136 1.499 6.685 1.980 1.00 0.00 H new ATOM 0 HA ARG A 136 2.772 6.024 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.164 8.592 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.198 8.653 -0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.483 7.734 -1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.490 7.287 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -0.339 9.341 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 136 0.093 9.631 0.159 1.00 0.00 H new ATOM 0 HE ARG A 136 1.719 11.127 -0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.870 8.965 -3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.864 9.836 -4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.992 12.235 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.058 11.677 -3.732 1.00 0.00 H new ATOM 167 N ARG A 137 4.832 7.081 1.949 1.00 0.00 N ATOM 168 CA ARG A 137 6.231 7.146 2.324 1.00 0.00 C ATOM 169 C ARG A 137 6.809 5.741 2.336 1.00 0.00 C ATOM 170 O ARG A 137 7.926 5.508 1.875 1.00 0.00 O ATOM 171 CB ARG A 137 6.388 7.793 3.700 1.00 0.00 C ATOM 172 CG ARG A 137 5.743 9.165 3.804 1.00 0.00 C ATOM 173 CD ARG A 137 6.003 9.801 5.161 1.00 0.00 C ATOM 174 NE ARG A 137 5.453 11.151 5.247 1.00 0.00 N ATOM 175 CZ ARG A 137 6.013 12.218 4.683 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.140 12.097 3.991 1.00 0.00 N ATOM 177 NH2 ARG A 137 5.447 13.411 4.811 1.00 0.00 N ATOM 0 H ARG A 137 4.180 7.302 2.702 1.00 0.00 H new ATOM 0 HA ARG A 137 6.769 7.756 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.951 7.137 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.449 7.881 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 137 6.132 9.812 3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.669 9.077 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 137 5.564 9.180 5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.077 9.835 5.346 1.00 0.00 H new ATOM 0 HE ARG A 137 4.588 11.284 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.581 11.183 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.565 12.918 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 137 4.582 13.511 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 137 5.877 14.229 4.378 1.00 0.00 H new ATOM 191 N LEU A 138 6.026 4.803 2.863 1.00 0.00 N ATOM 192 CA LEU A 138 6.448 3.410 2.929 1.00 0.00 C ATOM 193 C LEU A 138 6.659 2.834 1.530 1.00 0.00 C ATOM 194 O LEU A 138 7.726 2.300 1.226 1.00 0.00 O ATOM 195 CB LEU A 138 5.414 2.570 3.679 1.00 0.00 C ATOM 196 CG LEU A 138 5.799 1.102 3.848 1.00 0.00 C ATOM 197 CD1 LEU A 138 7.078 0.982 4.661 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.675 0.318 4.507 1.00 0.00 C ATOM 0 H LEU A 138 5.099 4.983 3.249 1.00 0.00 H new ATOM 0 HA LEU A 138 7.395 3.376 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.254 3.007 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.464 2.625 3.148 1.00 0.00 H new ATOM 0 HG LEU A 138 5.972 0.679 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.340 -0.070 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.885 1.505 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.926 1.425 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.974 -0.725 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.465 0.740 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.780 0.376 3.888 1.00 0.00 H new ATOM 210 N LEU A 139 5.646 2.959 0.675 1.00 0.00 N ATOM 211 CA LEU A 139 5.737 2.460 -0.692 1.00 0.00 C ATOM 212 C LEU A 139 6.899 3.126 -1.403 1.00 0.00 C ATOM 213 O LEU A 139 7.588 2.507 -2.217 1.00 0.00 O ATOM 214 CB LEU A 139 4.432 2.725 -1.447 1.00 0.00 C ATOM 215 CG LEU A 139 3.349 1.661 -1.260 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.975 2.239 -1.561 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.629 0.456 -2.145 1.00 0.00 C ATOM 0 H LEU A 139 4.756 3.401 0.905 1.00 0.00 H new ATOM 0 HA LEU A 139 5.905 1.383 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.034 3.688 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.656 2.811 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 139 3.362 1.334 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.217 1.468 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.774 3.070 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.947 2.594 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.849 -0.291 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.643 0.767 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.596 0.027 -1.881 1.00 0.00 H new ATOM 229 N ALA A 140 7.122 4.392 -1.069 1.00 0.00 N ATOM 230 CA ALA A 140 8.216 5.150 -1.653 1.00 0.00 C ATOM 231 C ALA A 140 9.552 4.576 -1.196 1.00 0.00 C ATOM 232 O ALA A 140 10.534 4.585 -1.938 1.00 0.00 O ATOM 233 CB ALA A 140 8.108 6.619 -1.272 1.00 0.00 C ATOM 0 H ALA A 140 6.559 4.913 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 140 8.156 5.073 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.935 7.172 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.163 7.021 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.148 6.717 -0.187 1.00 0.00 H new ATOM 239 N GLU A 141 9.574 4.065 0.035 1.00 0.00 N ATOM 240 CA GLU A 141 10.776 3.471 0.601 1.00 0.00 C ATOM 241 C GLU A 141 11.089 2.147 -0.081 1.00 0.00 C ATOM 242 O GLU A 141 12.217 1.903 -0.508 1.00 0.00 O ATOM 243 CB GLU A 141 10.604 3.250 2.105 1.00 0.00 C ATOM 244 CG GLU A 141 10.777 4.514 2.932 1.00 0.00 C ATOM 245 CD GLU A 141 11.062 4.220 4.392 1.00 0.00 C ATOM 246 OE1 GLU A 141 10.097 3.987 5.149 1.00 0.00 O ATOM 247 OE2 GLU A 141 12.249 4.226 4.779 1.00 0.00 O ATOM 0 H GLU A 141 8.767 4.053 0.659 1.00 0.00 H new ATOM 0 HA GLU A 141 11.606 4.158 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.613 2.837 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.327 2.506 2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.593 5.106 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.874 5.120 2.857 1.00 0.00 H new ATOM 254 N HIS A 142 10.074 1.299 -0.183 1.00 0.00 N ATOM 255 CA HIS A 142 10.222 -0.005 -0.817 1.00 0.00 C ATOM 256 C HIS A 142 10.281 0.131 -2.337 1.00 0.00 C ATOM 257 O HIS A 142 10.678 -0.801 -3.036 1.00 0.00 O ATOM 258 CB HIS A 142 9.060 -0.920 -0.426 1.00 0.00 C ATOM 259 CG HIS A 142 8.981 -1.210 1.041 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.638 -2.267 1.636 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.309 -0.581 2.035 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.371 -2.275 2.930 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.568 -1.264 3.198 1.00 0.00 N ATOM 0 H HIS A 142 9.135 1.492 0.167 1.00 0.00 H new ATOM 0 HA HIS A 142 11.158 -0.444 -0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 142 8.125 -0.460 -0.746 1.00 0.00 H new ATOM 0 HB3 HIS A 142 9.154 -1.861 -0.968 1.00 0.00 H new ATOM 0 HD1 HIS A 142 10.236 -2.937 1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.685 0.295 1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.747 -2.989 3.647 1.00 0.00 H new ATOM 272 N ASN A 143 9.878 1.295 -2.845 1.00 0.00 N ATOM 273 CA ASN A 143 9.882 1.543 -4.281 1.00 0.00 C ATOM 274 C ASN A 143 8.949 0.569 -4.995 1.00 0.00 C ATOM 275 O ASN A 143 9.346 -0.111 -5.941 1.00 0.00 O ATOM 276 CB ASN A 143 11.300 1.421 -4.841 1.00 0.00 C ATOM 277 CG ASN A 143 12.195 2.563 -4.403 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.025 3.119 -3.318 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.156 2.921 -5.248 1.00 0.00 N ATOM 0 H ASN A 143 9.546 2.078 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 143 9.524 2.558 -4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.736 0.476 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.257 1.394 -5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.789 3.684 -5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.261 2.433 -6.137 1.00 0.00 H new ATOM 286 N LEU A 144 7.707 0.503 -4.527 1.00 0.00 N ATOM 287 CA LEU A 144 6.716 -0.394 -5.112 1.00 0.00 C ATOM 288 C LEU A 144 5.606 0.386 -5.805 1.00 0.00 C ATOM 289 O LEU A 144 5.601 1.616 -5.809 1.00 0.00 O ATOM 290 CB LEU A 144 6.113 -1.297 -4.035 1.00 0.00 C ATOM 291 CG LEU A 144 7.107 -1.820 -3.002 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.379 -2.540 -1.877 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.121 -2.743 -3.660 1.00 0.00 C ATOM 0 H LEU A 144 7.362 1.060 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 144 7.224 -1.008 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.329 -0.745 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.635 -2.148 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 144 7.641 -0.970 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.104 -2.906 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.692 -1.850 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.819 -3.381 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.822 -3.107 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.603 -3.588 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.665 -2.196 -4.430 1.00 0.00 H new ATOM 305 N ASP A 145 4.664 -0.348 -6.387 1.00 0.00 N ATOM 306 CA ASP A 145 3.538 0.258 -7.083 1.00 0.00 C ATOM 307 C ASP A 145 2.220 -0.197 -6.466 1.00 0.00 C ATOM 308 O ASP A 145 1.973 -1.393 -6.317 1.00 0.00 O ATOM 309 CB ASP A 145 3.573 -0.104 -8.569 1.00 0.00 C ATOM 310 CG ASP A 145 3.088 1.028 -9.452 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.176 2.197 -9.021 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.620 0.747 -10.576 1.00 0.00 O ATOM 0 H ASP A 145 4.659 -1.368 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 145 3.616 1.341 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.592 -0.370 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.954 -0.985 -8.740 1.00 0.00 H new ATOM 317 N ALA A 146 1.380 0.767 -6.105 1.00 0.00 N ATOM 318 CA ALA A 146 0.086 0.472 -5.496 1.00 0.00 C ATOM 319 C ALA A 146 -0.670 -0.600 -6.275 1.00 0.00 C ATOM 320 O ALA A 146 -1.226 -1.530 -5.692 1.00 0.00 O ATOM 321 CB ALA A 146 -0.745 1.741 -5.401 1.00 0.00 C ATOM 0 H ALA A 146 1.572 1.762 -6.223 1.00 0.00 H new ATOM 0 HA ALA A 146 0.267 0.085 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.708 1.512 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.220 2.475 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.903 2.148 -6.400 1.00 0.00 H new ATOM 327 N SER A 147 -0.685 -0.462 -7.597 1.00 0.00 N ATOM 328 CA SER A 147 -1.375 -1.418 -8.456 1.00 0.00 C ATOM 329 C SER A 147 -0.729 -2.802 -8.385 1.00 0.00 C ATOM 330 O SER A 147 -1.317 -3.791 -8.819 1.00 0.00 O ATOM 331 CB SER A 147 -1.378 -0.921 -9.903 1.00 0.00 C ATOM 332 OG SER A 147 -2.183 0.236 -10.042 1.00 0.00 O ATOM 0 H SER A 147 -0.228 0.301 -8.096 1.00 0.00 H new ATOM 0 HA SER A 147 -2.401 -1.504 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.358 -0.698 -10.217 1.00 0.00 H new ATOM 0 HB3 SER A 147 -1.749 -1.707 -10.560 1.00 0.00 H new ATOM 0 HG SER A 147 -2.167 0.535 -10.975 1.00 0.00 H new ATOM 338 N ALA A 148 0.486 -2.867 -7.843 1.00 0.00 N ATOM 339 CA ALA A 148 1.200 -4.134 -7.729 1.00 0.00 C ATOM 340 C ALA A 148 1.169 -4.678 -6.302 1.00 0.00 C ATOM 341 O ALA A 148 1.935 -5.579 -5.961 1.00 0.00 O ATOM 342 CB ALA A 148 2.637 -3.970 -8.201 1.00 0.00 C ATOM 0 H ALA A 148 0.993 -2.061 -7.478 1.00 0.00 H new ATOM 0 HA ALA A 148 0.692 -4.858 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.160 -4.922 -8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.643 -3.649 -9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.138 -3.221 -7.588 1.00 0.00 H new ATOM 348 N ILE A 149 0.283 -4.136 -5.470 1.00 0.00 N ATOM 349 CA ILE A 149 0.169 -4.584 -4.086 1.00 0.00 C ATOM 350 C ILE A 149 -1.290 -4.645 -3.641 1.00 0.00 C ATOM 351 O ILE A 149 -2.153 -3.974 -4.206 1.00 0.00 O ATOM 352 CB ILE A 149 0.956 -3.671 -3.123 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.340 -3.359 -3.705 1.00 0.00 C ATOM 354 CG2 ILE A 149 1.079 -4.323 -1.749 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.263 -2.644 -2.741 1.00 0.00 C ATOM 0 H ILE A 149 -0.363 -3.390 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 149 0.598 -5.585 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 149 0.412 -2.734 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.810 -4.291 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.218 -2.746 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.637 -3.665 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.084 -4.497 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.604 -5.274 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 149 4.222 -2.458 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.816 -1.695 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.417 -3.263 -1.857 1.00 0.00 H new ATOM 367 N LYS A 150 -1.552 -5.464 -2.627 1.00 0.00 N ATOM 368 CA LYS A 150 -2.898 -5.638 -2.093 1.00 0.00 C ATOM 369 C LYS A 150 -3.582 -4.298 -1.822 1.00 0.00 C ATOM 370 O LYS A 150 -2.979 -3.236 -1.971 1.00 0.00 O ATOM 371 CB LYS A 150 -2.849 -6.470 -0.809 1.00 0.00 C ATOM 372 CG LYS A 150 -3.929 -7.537 -0.730 1.00 0.00 C ATOM 373 CD LYS A 150 -3.781 -8.387 0.522 1.00 0.00 C ATOM 374 CE LYS A 150 -4.141 -9.840 0.257 1.00 0.00 C ATOM 375 NZ LYS A 150 -2.936 -10.714 0.231 1.00 0.00 N ATOM 0 H LYS A 150 -0.841 -6.023 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.486 -6.162 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -1.872 -6.948 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.945 -5.804 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.911 -7.064 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.877 -8.175 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.755 -8.326 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.422 -7.991 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.827 -10.191 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.666 -9.916 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.220 -11.691 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.277 -10.375 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.468 -10.688 1.159 1.00 0.00 H new ATOM 389 N GLY A 151 -4.850 -4.370 -1.429 1.00 0.00 N ATOM 390 CA GLY A 151 -5.626 -3.177 -1.141 1.00 0.00 C ATOM 391 C GLY A 151 -7.077 -3.518 -0.855 1.00 0.00 C ATOM 392 O GLY A 151 -7.777 -4.023 -1.732 1.00 0.00 O ATOM 0 H GLY A 151 -5.359 -5.245 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.196 -2.659 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.571 -2.492 -1.987 1.00 0.00 H new ATOM 396 N THR A 152 -7.538 -3.262 0.371 1.00 0.00 N ATOM 397 CA THR A 152 -8.920 -3.579 0.727 1.00 0.00 C ATOM 398 C THR A 152 -9.527 -2.564 1.697 1.00 0.00 C ATOM 399 O THR A 152 -10.350 -2.920 2.540 1.00 0.00 O ATOM 400 CB THR A 152 -9.001 -4.983 1.328 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.843 -5.269 2.091 1.00 0.00 O ATOM 402 CG2 THR A 152 -9.144 -6.072 0.287 1.00 0.00 C ATOM 0 H THR A 152 -6.986 -2.844 1.120 1.00 0.00 H new ATOM 0 HA THR A 152 -9.502 -3.535 -0.193 1.00 0.00 H new ATOM 0 HB THR A 152 -9.895 -4.979 1.952 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.914 -6.171 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 152 -9.196 -7.043 0.780 1.00 0.00 H new ATOM 0 HG22 THR A 152 -10.055 -5.908 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 152 -8.284 -6.051 -0.382 1.00 0.00 H new ATOM 410 N GLY A 153 -9.149 -1.301 1.549 1.00 0.00 N ATOM 411 CA GLY A 153 -9.699 -0.248 2.389 1.00 0.00 C ATOM 412 C GLY A 153 -11.213 -0.149 2.225 1.00 0.00 C ATOM 413 O GLY A 153 -11.893 -1.158 2.048 1.00 0.00 O ATOM 0 H GLY A 153 -8.468 -0.983 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.455 -0.447 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.239 0.706 2.130 1.00 0.00 H new ATOM 417 N VAL A 154 -11.734 1.078 2.237 1.00 0.00 N ATOM 418 CA VAL A 154 -13.160 1.310 2.041 1.00 0.00 C ATOM 419 C VAL A 154 -13.396 2.072 0.732 1.00 0.00 C ATOM 420 O VAL A 154 -13.459 3.302 0.724 1.00 0.00 O ATOM 421 CB VAL A 154 -13.770 2.109 3.208 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.279 2.217 3.052 1.00 0.00 C ATOM 423 CG2 VAL A 154 -13.409 1.469 4.541 1.00 0.00 C ATOM 0 H VAL A 154 -11.186 1.926 2.381 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.647 0.336 1.998 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.354 3.116 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.691 2.785 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.513 2.725 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.716 1.219 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.849 2.048 5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.794 0.450 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -12.325 1.451 4.654 1.00 0.00 H new ATOM 433 N GLY A 155 -13.519 1.336 -0.378 1.00 0.00 N ATOM 434 CA GLY A 155 -13.739 1.965 -1.673 1.00 0.00 C ATOM 435 C GLY A 155 -12.533 1.861 -2.605 1.00 0.00 C ATOM 436 O GLY A 155 -12.182 2.830 -3.277 1.00 0.00 O ATOM 0 H GLY A 155 -13.470 0.317 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.602 1.502 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.984 3.016 -1.522 1.00 0.00 H new ATOM 440 N GLY A 156 -11.896 0.689 -2.637 1.00 0.00 N ATOM 441 CA GLY A 156 -10.729 0.489 -3.485 1.00 0.00 C ATOM 442 C GLY A 156 -9.602 1.430 -3.114 1.00 0.00 C ATOM 443 O GLY A 156 -9.654 2.629 -3.390 1.00 0.00 O ATOM 0 H GLY A 156 -12.169 -0.127 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.387 -0.542 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -11.005 0.645 -4.528 1.00 0.00 H new ATOM 447 N ARG A 157 -8.612 0.874 -2.438 1.00 0.00 N ATOM 448 CA ARG A 157 -7.467 1.618 -1.937 1.00 0.00 C ATOM 449 C ARG A 157 -6.281 0.687 -1.677 1.00 0.00 C ATOM 450 O ARG A 157 -6.254 -0.454 -2.135 1.00 0.00 O ATOM 451 CB ARG A 157 -7.841 2.287 -0.607 1.00 0.00 C ATOM 452 CG ARG A 157 -9.325 2.571 -0.422 1.00 0.00 C ATOM 453 CD ARG A 157 -10.169 1.344 -0.111 1.00 0.00 C ATOM 454 NE ARG A 157 -9.572 0.081 -0.524 1.00 0.00 N ATOM 455 CZ ARG A 157 -10.280 -0.987 -0.889 1.00 0.00 C ATOM 456 NH1 ARG A 157 -11.562 -1.074 -0.579 1.00 0.00 N ATOM 457 NH2 ARG A 157 -9.685 -2.001 -1.497 1.00 0.00 N ATOM 0 H ARG A 157 -8.579 -0.121 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.190 2.359 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.504 1.649 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.294 3.226 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.446 3.293 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.708 3.039 -1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -10.356 1.309 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -11.137 1.451 -0.600 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.555 0.010 -0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -12.013 -0.322 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -12.100 -1.893 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.683 -1.965 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.228 -2.818 -1.776 1.00 0.00 H new ATOM 471 N LEU A 158 -5.322 1.190 -0.902 1.00 0.00 N ATOM 472 CA LEU A 158 -4.137 0.436 -0.514 1.00 0.00 C ATOM 473 C LEU A 158 -3.767 0.806 0.923 1.00 0.00 C ATOM 474 O LEU A 158 -3.453 1.963 1.203 1.00 0.00 O ATOM 475 CB LEU A 158 -2.977 0.742 -1.469 1.00 0.00 C ATOM 476 CG LEU A 158 -1.685 -0.067 -1.260 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.873 -1.177 -0.239 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.206 -0.645 -2.584 1.00 0.00 C ATOM 0 H LEU A 158 -5.348 2.137 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.343 -0.633 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.322 0.576 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.734 1.801 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.929 0.614 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.938 -1.724 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -2.165 -0.745 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -2.651 -1.859 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.291 -1.215 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -1.974 -1.300 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.009 0.166 -3.285 1.00 0.00 H new ATOM 490 N THR A 159 -3.829 -0.160 1.840 1.00 0.00 N ATOM 491 CA THR A 159 -3.522 0.122 3.244 1.00 0.00 C ATOM 492 C THR A 159 -2.160 -0.426 3.654 1.00 0.00 C ATOM 493 O THR A 159 -1.607 -1.312 3.001 1.00 0.00 O ATOM 494 CB THR A 159 -4.605 -0.456 4.158 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.142 -1.647 3.615 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.757 0.493 4.402 1.00 0.00 C ATOM 0 H THR A 159 -4.084 -1.128 1.642 1.00 0.00 H new ATOM 0 HA THR A 159 -3.494 1.206 3.352 1.00 0.00 H new ATOM 0 HB THR A 159 -4.103 -0.645 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.428 -2.160 3.182 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.487 0.018 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.385 1.403 4.872 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.230 0.742 3.452 1.00 0.00 H new ATOM 504 N ARG A 160 -1.630 0.102 4.755 1.00 0.00 N ATOM 505 CA ARG A 160 -0.340 -0.338 5.268 1.00 0.00 C ATOM 506 C ARG A 160 -0.352 -1.843 5.496 1.00 0.00 C ATOM 507 O ARG A 160 0.646 -2.528 5.268 1.00 0.00 O ATOM 508 CB ARG A 160 -0.006 0.389 6.572 1.00 0.00 C ATOM 509 CG ARG A 160 1.346 0.005 7.153 1.00 0.00 C ATOM 510 CD ARG A 160 2.018 1.188 7.833 1.00 0.00 C ATOM 511 NE ARG A 160 2.483 0.854 9.177 1.00 0.00 N ATOM 512 CZ ARG A 160 3.601 0.175 9.428 1.00 0.00 C ATOM 513 NH1 ARG A 160 4.367 -0.248 8.430 1.00 0.00 N ATOM 514 NH2 ARG A 160 3.952 -0.084 10.681 1.00 0.00 N ATOM 0 H ARG A 160 -2.076 0.835 5.307 1.00 0.00 H new ATOM 0 HA ARG A 160 0.426 -0.098 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.024 1.464 6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.782 0.175 7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.217 -0.804 7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.990 -0.373 6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.862 1.522 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.317 2.021 7.888 1.00 0.00 H new ATOM 0 HE ARG A 160 1.918 1.159 9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.101 -0.053 7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.222 -0.768 8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.366 0.237 11.452 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.808 -0.604 10.874 1.00 0.00 H new ATOM 528 N GLU A 161 -1.499 -2.356 5.929 1.00 0.00 N ATOM 529 CA GLU A 161 -1.647 -3.784 6.163 1.00 0.00 C ATOM 530 C GLU A 161 -1.464 -4.535 4.852 1.00 0.00 C ATOM 531 O GLU A 161 -0.866 -5.612 4.813 1.00 0.00 O ATOM 532 CB GLU A 161 -3.023 -4.092 6.760 1.00 0.00 C ATOM 533 CG GLU A 161 -3.150 -3.709 8.225 1.00 0.00 C ATOM 534 CD GLU A 161 -3.339 -4.912 9.130 1.00 0.00 C ATOM 535 OE1 GLU A 161 -2.701 -5.953 8.873 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.126 -4.810 10.095 1.00 0.00 O ATOM 0 H GLU A 161 -2.335 -1.805 6.124 1.00 0.00 H new ATOM 0 HA GLU A 161 -0.886 -4.107 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.785 -3.563 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.226 -5.158 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.257 -3.165 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.995 -3.031 8.347 1.00 0.00 H new ATOM 543 N ASP A 162 -1.966 -3.940 3.775 1.00 0.00 N ATOM 544 CA ASP A 162 -1.849 -4.528 2.451 1.00 0.00 C ATOM 545 C ASP A 162 -0.380 -4.599 2.048 1.00 0.00 C ATOM 546 O ASP A 162 0.093 -5.622 1.545 1.00 0.00 O ATOM 547 CB ASP A 162 -2.654 -3.707 1.442 1.00 0.00 C ATOM 548 CG ASP A 162 -4.141 -3.984 1.536 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.535 -5.164 1.423 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.910 -3.022 1.730 1.00 0.00 O ATOM 0 H ASP A 162 -2.459 -3.047 3.797 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.253 -5.540 2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.472 -2.646 1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.307 -3.932 0.434 1.00 0.00 H new ATOM 555 N VAL A 163 0.349 -3.514 2.307 1.00 0.00 N ATOM 556 CA VAL A 163 1.773 -3.468 2.003 1.00 0.00 C ATOM 557 C VAL A 163 2.490 -4.579 2.759 1.00 0.00 C ATOM 558 O VAL A 163 3.424 -5.197 2.249 1.00 0.00 O ATOM 559 CB VAL A 163 2.398 -2.109 2.382 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.886 -2.088 2.057 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.678 -0.973 1.674 1.00 0.00 C ATOM 0 H VAL A 163 -0.023 -2.661 2.724 1.00 0.00 H new ATOM 0 HA VAL A 163 1.888 -3.603 0.928 1.00 0.00 H new ATOM 0 HB VAL A 163 2.284 -1.970 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.305 -1.120 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.392 -2.875 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.028 -2.254 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.133 -0.023 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.756 -1.109 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.627 -0.971 1.964 1.00 0.00 H new ATOM 571 N GLU A 164 2.026 -4.836 3.980 1.00 0.00 N ATOM 572 CA GLU A 164 2.601 -5.885 4.809 1.00 0.00 C ATOM 573 C GLU A 164 2.435 -7.235 4.125 1.00 0.00 C ATOM 574 O GLU A 164 3.384 -8.014 4.028 1.00 0.00 O ATOM 575 CB GLU A 164 1.935 -5.905 6.187 1.00 0.00 C ATOM 576 CG GLU A 164 2.711 -5.143 7.248 1.00 0.00 C ATOM 577 CD GLU A 164 3.686 -6.025 8.003 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.228 -6.851 8.821 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.907 -5.891 7.776 1.00 0.00 O ATOM 0 H GLU A 164 1.254 -4.331 4.414 1.00 0.00 H new ATOM 0 HA GLU A 164 3.664 -5.682 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.935 -5.479 6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.816 -6.940 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.256 -4.325 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.011 -4.695 7.953 1.00 0.00 H new ATOM 586 N LYS A 165 1.225 -7.501 3.635 1.00 0.00 N ATOM 587 CA LYS A 165 0.944 -8.753 2.941 1.00 0.00 C ATOM 588 C LYS A 165 1.929 -8.949 1.795 1.00 0.00 C ATOM 589 O LYS A 165 2.492 -10.031 1.624 1.00 0.00 O ATOM 590 CB LYS A 165 -0.490 -8.763 2.403 1.00 0.00 C ATOM 591 CG LYS A 165 -1.546 -8.487 3.461 1.00 0.00 C ATOM 592 CD LYS A 165 -1.516 -9.528 4.569 1.00 0.00 C ATOM 593 CE LYS A 165 -2.664 -10.516 4.437 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.982 -11.176 5.733 1.00 0.00 N ATOM 0 H LYS A 165 0.428 -6.868 3.706 1.00 0.00 H new ATOM 0 HA LYS A 165 1.054 -9.572 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.577 -8.016 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.690 -9.733 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.384 -7.497 3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.532 -8.477 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.568 -10.065 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -1.572 -9.031 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.548 -9.997 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.407 -11.274 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.770 -11.842 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -2.146 -11.693 6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -3.252 -10.455 6.432 1.00 0.00 H new ATOM 608 N TRP A 166 2.145 -7.889 1.022 1.00 0.00 N ATOM 609 CA TRP A 166 3.075 -7.940 -0.099 1.00 0.00 C ATOM 610 C TRP A 166 4.501 -8.138 0.407 1.00 0.00 C ATOM 611 O TRP A 166 5.258 -8.948 -0.129 1.00 0.00 O ATOM 612 CB TRP A 166 2.983 -6.652 -0.923 1.00 0.00 C ATOM 613 CG TRP A 166 4.009 -6.554 -2.012 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.831 -6.842 -3.335 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.370 -6.137 -1.872 1.00 0.00 C ATOM 616 NE1 TRP A 166 5.002 -6.633 -4.024 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.961 -6.201 -3.147 1.00 0.00 C ATOM 618 CE3 TRP A 166 6.147 -5.716 -0.790 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.293 -5.860 -3.369 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.469 -5.377 -1.011 1.00 0.00 C ATOM 621 CH2 TRP A 166 8.030 -5.452 -2.292 1.00 0.00 C ATOM 0 H TRP A 166 1.689 -6.986 1.152 1.00 0.00 H new ATOM 0 HA TRP A 166 2.808 -8.784 -0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.989 -6.586 -1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.092 -5.797 -0.256 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.906 -7.184 -3.775 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.135 -6.776 -5.025 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.723 -5.656 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.728 -5.916 -4.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.079 -5.049 -0.182 1.00 0.00 H new ATOM 0 HH2 TRP A 166 9.066 -5.182 -2.432 1.00 0.00 H new ATOM 632 N LEU A 167 4.856 -7.388 1.445 1.00 0.00 N ATOM 633 CA LEU A 167 6.188 -7.473 2.034 1.00 0.00 C ATOM 634 C LEU A 167 6.476 -8.885 2.533 1.00 0.00 C ATOM 635 O LEU A 167 7.576 -9.405 2.358 1.00 0.00 O ATOM 636 CB LEU A 167 6.323 -6.477 3.187 1.00 0.00 C ATOM 637 CG LEU A 167 6.534 -5.022 2.766 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.222 -4.080 3.920 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.959 -4.814 2.276 1.00 0.00 C ATOM 0 H LEU A 167 4.239 -6.713 1.897 1.00 0.00 H new ATOM 0 HA LEU A 167 6.915 -7.226 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.426 -6.534 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.160 -6.783 3.814 1.00 0.00 H new ATOM 0 HG LEU A 167 5.851 -4.797 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.378 -3.050 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.184 -4.212 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.880 -4.303 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.094 -3.774 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.658 -5.057 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.148 -5.462 1.420 1.00 0.00 H new ATOM 651 N ALA A 168 5.476 -9.496 3.157 1.00 0.00 N ATOM 652 CA ALA A 168 5.615 -10.847 3.685 1.00 0.00 C ATOM 653 C ALA A 168 5.603 -11.881 2.565 1.00 0.00 C ATOM 654 O ALA A 168 6.271 -12.911 2.649 1.00 0.00 O ATOM 655 CB ALA A 168 4.507 -11.139 4.686 1.00 0.00 C ATOM 0 H ALA A 168 4.559 -9.076 3.310 1.00 0.00 H new ATOM 0 HA ALA A 168 6.577 -10.913 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.623 -12.152 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.564 -10.428 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.539 -11.047 4.194 1.00 0.00 H new ATOM 661 N LYS A 169 4.839 -11.599 1.515 1.00 0.00 N ATOM 662 CA LYS A 169 4.741 -12.504 0.377 1.00 0.00 C ATOM 663 C LYS A 169 5.656 -12.055 -0.757 1.00 0.00 C ATOM 664 O LYS A 169 5.289 -12.123 -1.930 1.00 0.00 O ATOM 665 CB LYS A 169 3.293 -12.582 -0.115 1.00 0.00 C ATOM 666 CG LYS A 169 2.833 -13.996 -0.433 1.00 0.00 C ATOM 667 CD LYS A 169 1.402 -14.232 0.020 1.00 0.00 C ATOM 668 CE LYS A 169 0.425 -14.126 -1.140 1.00 0.00 C ATOM 669 NZ LYS A 169 0.621 -15.219 -2.132 1.00 0.00 N ATOM 0 H LYS A 169 4.279 -10.751 1.429 1.00 0.00 H new ATOM 0 HA LYS A 169 5.060 -13.494 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.637 -12.158 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.188 -11.965 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.910 -14.172 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.493 -14.713 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.322 -15.219 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.138 -13.504 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -0.596 -14.160 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.550 -13.162 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -0.266 -15.381 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.369 -14.949 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.898 -16.091 -1.638 1.00 0.00 H new ATOM 683 N ALA A 170 6.850 -11.595 -0.399 1.00 0.00 N ATOM 684 CA ALA A 170 7.820 -11.133 -1.384 1.00 0.00 C ATOM 685 C ALA A 170 9.243 -11.466 -0.953 1.00 0.00 C ATOM 686 O ALA A 170 9.766 -10.773 -0.055 1.00 0.00 O ATOM 687 CB ALA A 170 7.671 -9.636 -1.609 1.00 0.00 C ATOM 688 OXT ALA A 170 9.823 -12.419 -1.515 1.00 0.00 O ATOM 0 H ALA A 170 7.169 -11.532 0.568 1.00 0.00 H new ATOM 0 HA ALA A 170 7.623 -11.652 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.402 -9.304 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.666 -9.421 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.839 -9.108 -0.670 1.00 0.00 H new