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= -1.05 USER MOD Single : A 142 HIS : no HE2:sc= -7.84! C(o=-7.8!,f=-9.6!) USER MOD Single : A 143 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.7!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -54:sc= 0.712 USER MOD Single : A 159 THR OG1 : rot 20:sc= 0.217 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 -4.042 5.754 -2.164 1.00 0.00 N ATOM 71 CA LEU A 131 -2.868 5.662 -1.306 1.00 0.00 C ATOM 72 C LEU A 131 -3.008 6.570 -0.088 1.00 0.00 C ATOM 73 O LEU A 131 -3.673 7.603 -0.145 1.00 0.00 O ATOM 74 CB LEU A 131 -1.610 6.039 -2.090 1.00 0.00 C ATOM 75 CG LEU A 131 -0.974 4.894 -2.884 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.964 5.213 -4.372 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.438 4.619 -2.388 1.00 0.00 C ATOM 0 HA LEU A 131 -2.783 4.632 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.858 6.845 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.870 6.432 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.574 3.997 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.508 4.387 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.987 5.358 -4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.390 6.123 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.873 3.802 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 131 1.047 5.514 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.406 4.343 -1.334 1.00 0.00 H new ATOM 89 N SER A 132 -2.373 6.177 1.013 1.00 0.00 N ATOM 90 CA SER A 132 -2.421 6.958 2.244 1.00 0.00 C ATOM 91 C SER A 132 -1.136 7.761 2.422 1.00 0.00 C ATOM 92 O SER A 132 -0.089 7.395 1.890 1.00 0.00 O ATOM 93 CB SER A 132 -2.636 6.040 3.448 1.00 0.00 C ATOM 94 OG SER A 132 -3.433 6.671 4.434 1.00 0.00 O ATOM 0 H SER A 132 -1.820 5.323 1.077 1.00 0.00 H new ATOM 0 HA SER A 132 -3.258 7.653 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.116 5.117 3.124 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.672 5.765 3.876 1.00 0.00 H new ATOM 0 HG SER A 132 -3.557 6.063 5.192 1.00 0.00 H new ATOM 100 N PRO A 133 -1.200 8.875 3.172 1.00 0.00 N ATOM 101 CA PRO A 133 -0.035 9.735 3.411 1.00 0.00 C ATOM 102 C PRO A 133 1.173 8.965 3.938 1.00 0.00 C ATOM 103 O PRO A 133 2.256 9.019 3.355 1.00 0.00 O ATOM 104 CB PRO A 133 -0.535 10.725 4.465 1.00 0.00 C ATOM 105 CG PRO A 133 -2.011 10.768 4.275 1.00 0.00 C ATOM 106 CD PRO A 133 -2.412 9.387 3.838 1.00 0.00 C ATOM 0 HA PRO A 133 0.313 10.204 2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.275 10.397 5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.089 11.710 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.516 11.047 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.287 11.510 3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.698 8.764 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.264 9.412 3.159 1.00 0.00 H new ATOM 114 N ALA A 134 0.986 8.257 5.047 1.00 0.00 N ATOM 115 CA ALA A 134 2.066 7.488 5.652 1.00 0.00 C ATOM 116 C ALA A 134 2.515 6.346 4.746 1.00 0.00 C ATOM 117 O ALA A 134 3.713 6.154 4.512 1.00 0.00 O ATOM 118 CB ALA A 134 1.631 6.948 7.006 1.00 0.00 C ATOM 0 H ALA A 134 0.097 8.200 5.544 1.00 0.00 H new ATOM 0 HA ALA A 134 2.916 8.156 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.446 6.375 7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.373 7.778 7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.762 6.303 6.878 1.00 0.00 H new ATOM 124 N ILE A 135 1.554 5.585 4.235 1.00 0.00 N ATOM 125 CA ILE A 135 1.874 4.468 3.362 1.00 0.00 C ATOM 126 C ILE A 135 2.636 4.936 2.131 1.00 0.00 C ATOM 127 O ILE A 135 3.564 4.272 1.690 1.00 0.00 O ATOM 128 CB ILE A 135 0.618 3.691 2.919 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.050 3.030 4.129 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.990 2.644 1.872 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.529 3.324 4.240 1.00 0.00 C ATOM 0 H ILE A 135 0.558 5.721 4.409 1.00 0.00 H new ATOM 0 HA ILE A 135 2.502 3.795 3.945 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.090 4.389 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.094 1.951 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.448 3.368 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.095 2.101 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.429 3.137 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.711 1.945 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.934 2.824 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.680 4.399 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -2.040 2.961 3.348 1.00 0.00 H new ATOM 143 N ARG A 136 2.255 6.085 1.579 1.00 0.00 N ATOM 144 CA ARG A 136 2.940 6.607 0.404 1.00 0.00 C ATOM 145 C ARG A 136 4.436 6.686 0.676 1.00 0.00 C ATOM 146 O ARG A 136 5.256 6.421 -0.203 1.00 0.00 O ATOM 147 CB ARG A 136 2.369 7.976 0.005 1.00 0.00 C ATOM 148 CG ARG A 136 3.265 9.148 0.355 1.00 0.00 C ATOM 149 CD ARG A 136 2.692 10.463 -0.150 1.00 0.00 C ATOM 150 NE ARG A 136 1.921 11.156 0.879 1.00 0.00 N ATOM 151 CZ ARG A 136 1.037 12.118 0.619 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.811 12.502 -0.631 1.00 0.00 N ATOM 153 NH2 ARG A 136 0.378 12.697 1.613 1.00 0.00 N ATOM 0 H ARG A 136 1.488 6.663 1.921 1.00 0.00 H new ATOM 0 HA ARG A 136 2.777 5.931 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.185 7.982 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.404 8.112 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.393 9.198 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.254 8.992 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.504 11.106 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.055 10.273 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 136 2.068 10.888 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.315 12.060 -1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.133 13.239 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.548 12.406 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.299 13.434 1.415 1.00 0.00 H new ATOM 167 N ARG A 137 4.778 7.020 1.913 1.00 0.00 N ATOM 168 CA ARG A 137 6.169 7.096 2.318 1.00 0.00 C ATOM 169 C ARG A 137 6.751 5.693 2.367 1.00 0.00 C ATOM 170 O ARG A 137 7.873 5.452 1.919 1.00 0.00 O ATOM 171 CB ARG A 137 6.293 7.765 3.688 1.00 0.00 C ATOM 172 CG ARG A 137 7.727 7.890 4.177 1.00 0.00 C ATOM 173 CD ARG A 137 7.799 7.920 5.695 1.00 0.00 C ATOM 174 NE ARG A 137 8.059 9.264 6.204 1.00 0.00 N ATOM 175 CZ ARG A 137 9.266 9.828 6.227 1.00 0.00 C ATOM 176 NH1 ARG A 137 10.323 9.167 5.772 1.00 0.00 N ATOM 177 NH2 ARG A 137 9.414 11.054 6.708 1.00 0.00 N ATOM 0 H ARG A 137 4.109 7.242 2.651 1.00 0.00 H new ATOM 0 HA ARG A 137 6.721 7.696 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.847 8.758 3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.718 7.192 4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 137 8.315 7.053 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.172 8.799 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.861 7.550 6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 137 8.585 7.246 6.034 1.00 0.00 H new ATOM 0 HE ARG A 137 7.271 9.802 6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 137 10.214 8.223 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 137 11.245 9.603 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 137 8.604 11.565 7.060 1.00 0.00 H new ATOM 0 HH22 ARG A 137 10.337 11.487 6.726 1.00 0.00 H new ATOM 191 N LEU A 138 5.965 4.764 2.906 1.00 0.00 N ATOM 192 CA LEU A 138 6.391 3.374 3.006 1.00 0.00 C ATOM 193 C LEU A 138 6.648 2.782 1.622 1.00 0.00 C ATOM 194 O LEU A 138 7.724 2.246 1.358 1.00 0.00 O ATOM 195 CB LEU A 138 5.336 2.539 3.734 1.00 0.00 C ATOM 196 CG LEU A 138 5.716 1.071 3.929 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.970 0.956 4.781 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.570 0.296 4.563 1.00 0.00 C ATOM 0 H LEU A 138 5.034 4.949 3.278 1.00 0.00 H new ATOM 0 HA LEU A 138 7.320 3.351 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.147 2.985 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.402 2.589 3.175 1.00 0.00 H new ATOM 0 HG LEU A 138 5.920 0.638 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.227 -0.095 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.793 1.473 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.790 1.408 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.863 -0.746 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.331 0.729 5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.694 0.349 3.917 1.00 0.00 H new ATOM 210 N LEU A 139 5.661 2.893 0.735 1.00 0.00 N ATOM 211 CA LEU A 139 5.790 2.376 -0.621 1.00 0.00 C ATOM 212 C LEU A 139 6.960 3.048 -1.321 1.00 0.00 C ATOM 213 O LEU A 139 7.683 2.421 -2.095 1.00 0.00 O ATOM 214 CB LEU A 139 4.499 2.610 -1.408 1.00 0.00 C ATOM 215 CG LEU A 139 3.383 1.598 -1.133 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.033 2.294 -1.074 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.377 0.511 -2.197 1.00 0.00 C ATOM 0 H LEU A 139 4.764 3.337 0.933 1.00 0.00 H new ATOM 0 HA LEU A 139 5.974 1.303 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.128 3.609 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.732 2.592 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 139 3.571 1.133 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.253 1.559 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.041 3.036 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.836 2.787 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.578 -0.200 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.214 0.961 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.335 -0.008 -2.192 1.00 0.00 H new ATOM 229 N ALA A 140 7.143 4.327 -1.024 1.00 0.00 N ATOM 230 CA ALA A 140 8.235 5.094 -1.604 1.00 0.00 C ATOM 231 C ALA A 140 9.574 4.510 -1.172 1.00 0.00 C ATOM 232 O ALA A 140 10.534 4.484 -1.943 1.00 0.00 O ATOM 233 CB ALA A 140 8.134 6.556 -1.198 1.00 0.00 C ATOM 0 H ALA A 140 6.549 4.855 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 140 8.164 5.036 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.959 7.114 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.188 6.967 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.183 6.636 -0.112 1.00 0.00 H new ATOM 239 N GLU A 141 9.624 4.033 0.069 1.00 0.00 N ATOM 240 CA GLU A 141 10.835 3.437 0.613 1.00 0.00 C ATOM 241 C GLU A 141 11.084 2.069 -0.008 1.00 0.00 C ATOM 242 O GLU A 141 12.187 1.771 -0.468 1.00 0.00 O ATOM 243 CB GLU A 141 10.725 3.307 2.134 1.00 0.00 C ATOM 244 CG GLU A 141 10.538 4.637 2.846 1.00 0.00 C ATOM 245 CD GLU A 141 11.584 4.879 3.917 1.00 0.00 C ATOM 246 OE1 GLU A 141 11.616 4.109 4.900 1.00 0.00 O ATOM 247 OE2 GLU A 141 12.372 5.836 3.771 1.00 0.00 O ATOM 0 H GLU A 141 8.836 4.049 0.716 1.00 0.00 H new ATOM 0 HA GLU A 141 11.675 4.088 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.886 2.654 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.625 2.824 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.579 5.445 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.547 4.666 3.299 1.00 0.00 H new ATOM 254 N HIS A 142 10.045 1.243 -0.021 1.00 0.00 N ATOM 255 CA HIS A 142 10.137 -0.097 -0.589 1.00 0.00 C ATOM 256 C HIS A 142 10.251 -0.036 -2.111 1.00 0.00 C ATOM 257 O HIS A 142 10.718 -0.982 -2.745 1.00 0.00 O ATOM 258 CB HIS A 142 8.910 -0.926 -0.197 1.00 0.00 C ATOM 259 CG HIS A 142 8.852 -1.272 1.260 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.414 -2.417 1.786 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.284 -0.622 2.303 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.192 -2.454 3.089 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.510 -1.377 3.427 1.00 0.00 N ATOM 0 H HIS A 142 9.127 1.478 0.356 1.00 0.00 H new ATOM 0 HA HIS A 142 11.034 -0.571 -0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 142 8.009 -0.374 -0.465 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.905 -1.847 -0.780 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.921 -3.124 1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.752 0.317 2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.515 -3.234 3.763 1.00 0.00 H new ATOM 272 N ASN A 143 9.817 1.082 -2.691 1.00 0.00 N ATOM 273 CA ASN A 143 9.867 1.267 -4.139 1.00 0.00 C ATOM 274 C ASN A 143 8.854 0.361 -4.833 1.00 0.00 C ATOM 275 O ASN A 143 9.208 -0.433 -5.706 1.00 0.00 O ATOM 276 CB ASN A 143 11.276 0.988 -4.669 1.00 0.00 C ATOM 277 CG ASN A 143 11.687 1.960 -5.757 1.00 0.00 C ATOM 278 OD1 ASN A 143 11.061 3.004 -5.943 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.747 1.622 -6.484 1.00 0.00 N ATOM 0 H ASN A 143 9.427 1.873 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 143 9.612 2.304 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.989 1.045 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.320 -0.029 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.071 2.237 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.236 0.747 -6.296 1.00 0.00 H new ATOM 286 N LEU A 144 7.590 0.484 -4.437 1.00 0.00 N ATOM 287 CA LEU A 144 6.525 -0.325 -5.020 1.00 0.00 C ATOM 288 C LEU A 144 5.434 0.551 -5.620 1.00 0.00 C ATOM 289 O LEU A 144 5.500 1.779 -5.560 1.00 0.00 O ATOM 290 CB LEU A 144 5.918 -1.250 -3.964 1.00 0.00 C ATOM 291 CG LEU A 144 6.922 -1.881 -3.003 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.202 -2.586 -1.864 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.829 -2.851 -3.744 1.00 0.00 C ATOM 0 H LEU A 144 7.279 1.135 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 144 6.964 -0.926 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.189 -0.685 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.373 -2.047 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 144 7.538 -1.088 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.935 -3.029 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.594 -1.866 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.560 -3.369 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.539 -3.292 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.227 -3.639 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.372 -2.318 -4.524 1.00 0.00 H new ATOM 305 N ASP A 145 4.425 -0.094 -6.193 1.00 0.00 N ATOM 306 CA ASP A 145 3.306 0.613 -6.803 1.00 0.00 C ATOM 307 C ASP A 145 1.993 0.206 -6.146 1.00 0.00 C ATOM 308 O ASP A 145 1.675 -0.980 -6.052 1.00 0.00 O ATOM 309 CB ASP A 145 3.251 0.327 -8.305 1.00 0.00 C ATOM 310 CG ASP A 145 2.170 1.124 -9.007 1.00 0.00 C ATOM 311 OD1 ASP A 145 2.010 2.320 -8.684 1.00 0.00 O ATOM 312 OD2 ASP A 145 1.484 0.553 -9.881 1.00 0.00 O ATOM 0 H ASP A 145 4.359 -1.110 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 145 3.454 1.682 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.218 0.559 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.074 -0.737 -8.463 1.00 0.00 H new ATOM 317 N ALA A 146 1.234 1.196 -5.689 1.00 0.00 N ATOM 318 CA ALA A 146 -0.046 0.943 -5.034 1.00 0.00 C ATOM 319 C ALA A 146 -0.919 0.003 -5.861 1.00 0.00 C ATOM 320 O ALA A 146 -1.476 -0.963 -5.337 1.00 0.00 O ATOM 321 CB ALA A 146 -0.773 2.255 -4.782 1.00 0.00 C ATOM 0 H ALA A 146 1.483 2.183 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 146 0.154 0.457 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.726 2.055 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.163 2.892 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.951 2.760 -5.731 1.00 0.00 H new ATOM 327 N SER A 147 -1.033 0.292 -7.153 1.00 0.00 N ATOM 328 CA SER A 147 -1.839 -0.527 -8.051 1.00 0.00 C ATOM 329 C SER A 147 -1.284 -1.948 -8.161 1.00 0.00 C ATOM 330 O SER A 147 -1.975 -2.855 -8.625 1.00 0.00 O ATOM 331 CB SER A 147 -1.900 0.114 -9.439 1.00 0.00 C ATOM 332 OG SER A 147 -3.190 -0.027 -10.010 1.00 0.00 O ATOM 0 H SER A 147 -0.578 1.087 -7.602 1.00 0.00 H new ATOM 0 HA SER A 147 -2.844 -0.586 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 147 -1.645 1.171 -9.366 1.00 0.00 H new ATOM 0 HB3 SER A 147 -1.158 -0.349 -10.090 1.00 0.00 H new ATOM 0 HG SER A 147 -3.203 0.392 -10.896 1.00 0.00 H new ATOM 338 N ALA A 148 -0.036 -2.135 -7.739 1.00 0.00 N ATOM 339 CA ALA A 148 0.599 -3.446 -7.799 1.00 0.00 C ATOM 340 C ALA A 148 0.378 -4.236 -6.511 1.00 0.00 C ATOM 341 O ALA A 148 0.554 -5.454 -6.485 1.00 0.00 O ATOM 342 CB ALA A 148 2.086 -3.298 -8.079 1.00 0.00 C ATOM 0 H ALA A 148 0.553 -1.397 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 148 0.136 -4.003 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.548 -4.284 -8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.228 -2.790 -9.033 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.550 -2.714 -7.284 1.00 0.00 H new ATOM 348 N ILE A 149 -0.004 -3.541 -5.442 1.00 0.00 N ATOM 349 CA ILE A 149 -0.241 -4.191 -4.157 1.00 0.00 C ATOM 350 C ILE A 149 -1.717 -4.124 -3.773 1.00 0.00 C ATOM 351 O ILE A 149 -2.478 -3.333 -4.331 1.00 0.00 O ATOM 352 CB ILE A 149 0.611 -3.557 -3.037 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.992 -3.164 -3.577 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.746 -4.522 -1.865 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.937 -2.643 -2.516 1.00 0.00 C ATOM 0 H ILE A 149 -0.155 -2.532 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 149 0.052 -5.235 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 149 0.111 -2.655 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.444 -4.031 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.868 -2.401 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.349 -4.062 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.243 -4.756 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.228 -5.439 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.892 -2.386 -2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.508 -1.756 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.093 -3.411 -1.759 1.00 0.00 H new ATOM 367 N LYS A 150 -2.116 -4.969 -2.826 1.00 0.00 N ATOM 368 CA LYS A 150 -3.504 -5.018 -2.374 1.00 0.00 C ATOM 369 C LYS A 150 -3.986 -3.649 -1.904 1.00 0.00 C ATOM 370 O LYS A 150 -3.199 -2.822 -1.448 1.00 0.00 O ATOM 371 CB LYS A 150 -3.656 -6.040 -1.245 1.00 0.00 C ATOM 372 CG LYS A 150 -4.810 -7.008 -1.452 1.00 0.00 C ATOM 373 CD LYS A 150 -4.317 -8.392 -1.845 1.00 0.00 C ATOM 374 CE LYS A 150 -5.379 -9.166 -2.610 1.00 0.00 C ATOM 375 NZ LYS A 150 -5.208 -9.037 -4.083 1.00 0.00 N ATOM 0 H LYS A 150 -1.497 -5.630 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.120 -5.321 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.730 -6.607 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -3.801 -5.510 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.397 -7.077 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.473 -6.624 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.421 -8.299 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.035 -8.947 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.333 -10.218 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.367 -8.804 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.952 -9.579 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.277 -8.035 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.275 -9.406 -4.358 1.00 0.00 H new ATOM 389 N GLY A 151 -5.291 -3.424 -2.017 1.00 0.00 N ATOM 390 CA GLY A 151 -5.872 -2.161 -1.599 1.00 0.00 C ATOM 391 C GLY A 151 -7.216 -2.346 -0.922 1.00 0.00 C ATOM 392 O GLY A 151 -8.258 -2.047 -1.505 1.00 0.00 O ATOM 0 H GLY A 151 -5.959 -4.097 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.189 -1.657 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.990 -1.512 -2.467 1.00 0.00 H new ATOM 396 N THR A 152 -7.192 -2.847 0.309 1.00 0.00 N ATOM 397 CA THR A 152 -8.419 -3.078 1.064 1.00 0.00 C ATOM 398 C THR A 152 -8.672 -1.956 2.067 1.00 0.00 C ATOM 399 O THR A 152 -9.059 -2.206 3.208 1.00 0.00 O ATOM 400 CB THR A 152 -8.345 -4.423 1.791 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.572 -4.712 2.436 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.251 -4.480 2.835 1.00 0.00 C ATOM 0 H THR A 152 -6.337 -3.101 0.805 1.00 0.00 H new ATOM 0 HA THR A 152 -9.250 -3.095 0.358 1.00 0.00 H new ATOM 0 HB THR A 152 -8.123 -5.158 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.818 -3.965 3.020 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.254 -5.460 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.285 -4.311 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.425 -3.710 3.587 1.00 0.00 H new ATOM 410 N GLY A 153 -8.458 -0.719 1.632 1.00 0.00 N ATOM 411 CA GLY A 153 -8.675 0.420 2.504 1.00 0.00 C ATOM 412 C GLY A 153 -10.144 0.648 2.796 1.00 0.00 C ATOM 413 O GLY A 153 -10.578 0.569 3.946 1.00 0.00 O ATOM 0 H GLY A 153 -8.138 -0.485 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.140 0.265 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.256 1.314 2.042 1.00 0.00 H new ATOM 417 N VAL A 154 -10.911 0.928 1.748 1.00 0.00 N ATOM 418 CA VAL A 154 -12.342 1.165 1.884 1.00 0.00 C ATOM 419 C VAL A 154 -13.069 0.817 0.590 1.00 0.00 C ATOM 420 O VAL A 154 -14.028 1.483 0.201 1.00 0.00 O ATOM 421 CB VAL A 154 -12.642 2.634 2.250 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.104 2.800 2.637 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.729 3.104 3.372 1.00 0.00 C ATOM 0 H VAL A 154 -10.563 0.996 0.792 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.698 0.524 2.690 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.449 3.253 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.297 3.842 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.737 2.508 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.327 2.169 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.956 4.142 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -11.886 2.482 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.690 3.025 3.053 1.00 0.00 H new ATOM 433 N GLY A 155 -12.598 -0.234 -0.075 1.00 0.00 N ATOM 434 CA GLY A 155 -13.206 -0.660 -1.322 1.00 0.00 C ATOM 435 C GLY A 155 -12.242 -0.605 -2.493 1.00 0.00 C ATOM 436 O GLY A 155 -12.662 -0.622 -3.649 1.00 0.00 O ATOM 0 H GLY A 155 -11.805 -0.799 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.578 -1.678 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.068 -0.028 -1.536 1.00 0.00 H new ATOM 440 N GLY A 156 -10.946 -0.543 -2.197 1.00 0.00 N ATOM 441 CA GLY A 156 -9.948 -0.490 -3.249 1.00 0.00 C ATOM 442 C GLY A 156 -8.897 0.577 -3.008 1.00 0.00 C ATOM 443 O GLY A 156 -8.557 1.337 -3.915 1.00 0.00 O ATOM 0 H GLY A 156 -10.571 -0.529 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.461 -1.462 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.441 -0.299 -4.202 1.00 0.00 H new ATOM 447 N ARG A 157 -8.379 0.635 -1.785 1.00 0.00 N ATOM 448 CA ARG A 157 -7.357 1.619 -1.435 1.00 0.00 C ATOM 449 C ARG A 157 -6.172 0.948 -0.748 1.00 0.00 C ATOM 450 O ARG A 157 -6.344 0.042 0.066 1.00 0.00 O ATOM 451 CB ARG A 157 -7.932 2.707 -0.520 1.00 0.00 C ATOM 452 CG ARG A 157 -9.412 2.994 -0.736 1.00 0.00 C ATOM 453 CD ARG A 157 -9.659 4.462 -1.041 1.00 0.00 C ATOM 454 NE ARG A 157 -10.922 4.935 -0.479 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.562 6.023 -0.900 1.00 0.00 C ATOM 456 NH1 ARG A 157 -11.060 6.757 -1.886 1.00 0.00 N ATOM 457 NH2 ARG A 157 -12.707 6.379 -0.335 1.00 0.00 N ATOM 0 H ARG A 157 -8.648 0.015 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.016 2.082 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.780 2.410 0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.370 3.628 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.785 2.383 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.972 2.708 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.839 5.058 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -9.664 4.612 -2.121 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.338 4.399 0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.179 6.488 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.555 7.590 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -13.098 5.819 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -13.197 7.213 -0.658 1.00 0.00 H new ATOM 471 N LEU A 158 -4.968 1.403 -1.078 1.00 0.00 N ATOM 472 CA LEU A 158 -3.753 0.850 -0.490 1.00 0.00 C ATOM 473 C LEU A 158 -3.692 1.149 1.005 1.00 0.00 C ATOM 474 O LEU A 158 -3.940 2.277 1.431 1.00 0.00 O ATOM 475 CB LEU A 158 -2.518 1.426 -1.187 1.00 0.00 C ATOM 476 CG LEU A 158 -1.316 0.484 -1.270 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.894 0.030 0.118 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.638 -0.715 -2.150 1.00 0.00 C ATOM 0 H LEU A 158 -4.807 2.154 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.769 -0.231 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.797 1.723 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.214 2.331 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.485 1.027 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.038 -0.639 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.621 0.898 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.721 -0.495 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.771 -1.374 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.485 -1.258 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.889 -0.373 -3.154 1.00 0.00 H new ATOM 490 N THR A 159 -3.360 0.135 1.798 1.00 0.00 N ATOM 491 CA THR A 159 -3.267 0.300 3.245 1.00 0.00 C ATOM 492 C THR A 159 -2.033 -0.408 3.799 1.00 0.00 C ATOM 493 O THR A 159 -1.454 -1.275 3.143 1.00 0.00 O ATOM 494 CB THR A 159 -4.529 -0.237 3.925 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.203 -1.154 3.083 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.514 0.850 4.298 1.00 0.00 C ATOM 0 H THR A 159 -3.152 -0.806 1.465 1.00 0.00 H new ATOM 0 HA THR A 159 -3.175 1.365 3.457 1.00 0.00 H new ATOM 0 HB THR A 159 -4.181 -0.722 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.581 -1.495 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.386 0.403 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.041 1.549 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.826 1.382 3.399 1.00 0.00 H new ATOM 504 N ARG A 160 -1.639 -0.034 5.015 1.00 0.00 N ATOM 505 CA ARG A 160 -0.474 -0.632 5.658 1.00 0.00 C ATOM 506 C ARG A 160 -0.620 -2.146 5.723 1.00 0.00 C ATOM 507 O ARG A 160 0.355 -2.883 5.582 1.00 0.00 O ATOM 508 CB ARG A 160 -0.290 -0.062 7.066 1.00 0.00 C ATOM 509 CG ARG A 160 0.977 -0.541 7.757 1.00 0.00 C ATOM 510 CD ARG A 160 1.919 0.611 8.066 1.00 0.00 C ATOM 511 NE ARG A 160 3.025 0.200 8.928 1.00 0.00 N ATOM 512 CZ ARG A 160 2.911 0.020 10.243 1.00 0.00 C ATOM 513 NH1 ARG A 160 1.748 0.217 10.849 1.00 0.00 N ATOM 514 NH2 ARG A 160 3.966 -0.357 10.953 1.00 0.00 N ATOM 0 H ARG A 160 -2.109 0.679 5.573 1.00 0.00 H new ATOM 0 HA ARG A 160 0.407 -0.391 5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.273 1.026 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -1.152 -0.336 7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.715 -1.055 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.486 -1.267 7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.316 1.014 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.363 1.414 8.549 1.00 0.00 H new ATOM 0 HE ARG A 160 3.936 0.042 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.934 0.508 10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 160 1.668 0.077 11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.863 -0.509 10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.880 -0.495 11.960 1.00 0.00 H new ATOM 528 N GLU A 161 -1.852 -2.604 5.919 1.00 0.00 N ATOM 529 CA GLU A 161 -2.131 -4.030 5.981 1.00 0.00 C ATOM 530 C GLU A 161 -1.803 -4.684 4.645 1.00 0.00 C ATOM 531 O GLU A 161 -1.305 -5.810 4.594 1.00 0.00 O ATOM 532 CB GLU A 161 -3.599 -4.273 6.338 1.00 0.00 C ATOM 533 CG GLU A 161 -4.035 -3.584 7.622 1.00 0.00 C ATOM 534 CD GLU A 161 -5.311 -4.172 8.192 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.540 -5.386 8.011 1.00 0.00 O ATOM 536 OE2 GLU A 161 -6.082 -3.416 8.822 1.00 0.00 O ATOM 0 H GLU A 161 -2.671 -2.007 6.037 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.507 -4.473 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.226 -3.925 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.768 -5.345 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.239 -3.665 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.183 -2.522 7.428 1.00 0.00 H new ATOM 543 N ASP A 162 -2.078 -3.963 3.562 1.00 0.00 N ATOM 544 CA ASP A 162 -1.809 -4.462 2.222 1.00 0.00 C ATOM 545 C ASP A 162 -0.310 -4.604 1.995 1.00 0.00 C ATOM 546 O ASP A 162 0.164 -5.650 1.550 1.00 0.00 O ATOM 547 CB ASP A 162 -2.410 -3.521 1.176 1.00 0.00 C ATOM 548 CG ASP A 162 -3.920 -3.451 1.264 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.550 -4.493 1.544 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.476 -2.352 1.055 1.00 0.00 O ATOM 0 H ASP A 162 -2.488 -3.029 3.589 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.271 -5.444 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.994 -2.522 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.122 -3.857 0.180 1.00 0.00 H new ATOM 555 N VAL A 163 0.433 -3.548 2.307 1.00 0.00 N ATOM 556 CA VAL A 163 1.881 -3.562 2.142 1.00 0.00 C ATOM 557 C VAL A 163 2.513 -4.652 2.999 1.00 0.00 C ATOM 558 O VAL A 163 3.535 -5.230 2.630 1.00 0.00 O ATOM 559 CB VAL A 163 2.506 -2.202 2.510 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.995 -2.195 2.193 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.795 -1.075 1.781 1.00 0.00 C ATOM 0 H VAL A 163 0.057 -2.674 2.675 1.00 0.00 H new ATOM 0 HA VAL A 163 2.080 -3.765 1.090 1.00 0.00 H new ATOM 0 HB VAL A 163 2.385 -2.045 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.419 -1.227 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.492 -2.979 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.141 -2.374 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.249 -0.122 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.883 -1.225 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.742 -1.068 2.061 1.00 0.00 H new ATOM 571 N GLU A 164 1.892 -4.935 4.140 1.00 0.00 N ATOM 572 CA GLU A 164 2.391 -5.964 5.041 1.00 0.00 C ATOM 573 C GLU A 164 2.240 -7.342 4.403 1.00 0.00 C ATOM 574 O GLU A 164 3.179 -8.138 4.389 1.00 0.00 O ATOM 575 CB GLU A 164 1.654 -5.890 6.388 1.00 0.00 C ATOM 576 CG GLU A 164 0.721 -7.059 6.656 1.00 0.00 C ATOM 577 CD GLU A 164 0.025 -6.957 8.000 1.00 0.00 C ATOM 578 OE1 GLU A 164 -0.810 -6.044 8.168 1.00 0.00 O ATOM 579 OE2 GLU A 164 0.319 -7.788 8.884 1.00 0.00 O ATOM 0 H GLU A 164 1.045 -4.467 4.461 1.00 0.00 H new ATOM 0 HA GLU A 164 3.452 -5.793 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 164 2.391 -5.837 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.078 -4.965 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -0.029 -7.109 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.289 -7.988 6.615 1.00 0.00 H new ATOM 586 N LYS A 165 1.053 -7.610 3.867 1.00 0.00 N ATOM 587 CA LYS A 165 0.784 -8.886 3.215 1.00 0.00 C ATOM 588 C LYS A 165 1.712 -9.077 2.019 1.00 0.00 C ATOM 589 O LYS A 165 2.269 -10.155 1.818 1.00 0.00 O ATOM 590 CB LYS A 165 -0.676 -8.953 2.761 1.00 0.00 C ATOM 591 CG LYS A 165 -1.668 -8.992 3.912 1.00 0.00 C ATOM 592 CD LYS A 165 -2.921 -8.191 3.594 1.00 0.00 C ATOM 593 CE LYS A 165 -3.793 -8.010 4.826 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.861 -9.043 4.908 1.00 0.00 N ATOM 0 H LYS A 165 0.265 -6.963 3.871 1.00 0.00 H new ATOM 0 HA LYS A 165 0.967 -9.686 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.893 -8.088 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.815 -9.839 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.940 -10.026 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -1.199 -8.594 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.640 -7.215 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -3.490 -8.698 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.172 -8.059 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.247 -7.019 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.433 -8.884 5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.470 -8.981 4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -4.428 -9.987 4.952 1.00 0.00 H new ATOM 608 N TRP A 166 1.878 -8.016 1.236 1.00 0.00 N ATOM 609 CA TRP A 166 2.746 -8.055 0.065 1.00 0.00 C ATOM 610 C TRP A 166 4.197 -8.253 0.491 1.00 0.00 C ATOM 611 O TRP A 166 4.922 -9.061 -0.091 1.00 0.00 O ATOM 612 CB TRP A 166 2.603 -6.758 -0.738 1.00 0.00 C ATOM 613 CG TRP A 166 3.593 -6.629 -1.860 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.381 -6.907 -3.179 1.00 0.00 C ATOM 615 CD2 TRP A 166 4.950 -6.189 -1.755 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.528 -6.672 -3.900 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.505 -6.231 -3.048 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.750 -5.764 -0.694 1.00 0.00 C ATOM 619 CZ2 TRP A 166 6.823 -5.866 -3.304 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.059 -5.401 -0.950 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.584 -5.455 -2.245 1.00 0.00 C ATOM 0 H TRP A 166 1.422 -7.117 1.392 1.00 0.00 H new ATOM 0 HA TRP A 166 2.450 -8.894 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.594 -6.704 -1.148 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.719 -5.909 -0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.449 -7.260 -3.596 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.634 -6.805 -4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.354 -5.719 0.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.230 -5.906 -4.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.687 -5.070 -0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.611 -5.166 -2.412 1.00 0.00 H new ATOM 632 N LEU A 167 4.610 -7.508 1.509 1.00 0.00 N ATOM 633 CA LEU A 167 5.973 -7.595 2.022 1.00 0.00 C ATOM 634 C LEU A 167 6.302 -9.020 2.453 1.00 0.00 C ATOM 635 O LEU A 167 7.439 -9.475 2.317 1.00 0.00 O ATOM 636 CB LEU A 167 6.157 -6.637 3.202 1.00 0.00 C ATOM 637 CG LEU A 167 6.479 -5.190 2.818 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.233 -4.258 3.992 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.917 -5.076 2.337 1.00 0.00 C ATOM 0 H LEU A 167 4.019 -6.835 1.997 1.00 0.00 H new ATOM 0 HA LEU A 167 6.656 -7.311 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.246 -6.644 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 167 6.959 -7.016 3.836 1.00 0.00 H new ATOM 0 HG LEU A 167 5.818 -4.895 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.467 -3.235 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.187 -4.319 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.868 -4.551 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.130 -4.041 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.593 -5.390 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.061 -5.714 1.465 1.00 0.00 H new ATOM 651 N ALA A 168 5.300 -9.719 2.973 1.00 0.00 N ATOM 652 CA ALA A 168 5.479 -11.094 3.426 1.00 0.00 C ATOM 653 C ALA A 168 5.304 -12.079 2.275 1.00 0.00 C ATOM 654 O ALA A 168 5.927 -13.139 2.251 1.00 0.00 O ATOM 655 CB ALA A 168 4.503 -11.410 4.548 1.00 0.00 C ATOM 0 H ALA A 168 4.354 -9.356 3.092 1.00 0.00 H new ATOM 0 HA ALA A 168 6.496 -11.197 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.647 -12.439 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.679 -10.734 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.482 -11.284 4.188 1.00 0.00 H new ATOM 661 N LYS A 169 4.448 -11.723 1.321 1.00 0.00 N ATOM 662 CA LYS A 169 4.189 -12.577 0.167 1.00 0.00 C ATOM 663 C LYS A 169 5.017 -12.134 -1.035 1.00 0.00 C ATOM 664 O LYS A 169 4.556 -12.197 -2.176 1.00 0.00 O ATOM 665 CB LYS A 169 2.700 -12.557 -0.185 1.00 0.00 C ATOM 666 CG LYS A 169 1.897 -13.647 0.507 1.00 0.00 C ATOM 667 CD LYS A 169 1.679 -14.845 -0.404 1.00 0.00 C ATOM 668 CE LYS A 169 2.586 -16.005 -0.026 1.00 0.00 C ATOM 669 NZ LYS A 169 2.215 -17.256 -0.743 1.00 0.00 N ATOM 0 H LYS A 169 3.922 -10.849 1.325 1.00 0.00 H new ATOM 0 HA LYS A 169 4.478 -13.595 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.285 -11.586 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.589 -12.665 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.418 -13.966 1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 169 0.933 -13.247 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.638 -15.162 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.868 -14.556 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 169 3.620 -15.748 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 169 2.531 -16.173 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 2.857 -18.023 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.237 -17.516 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 2.292 -17.104 -1.769 1.00 0.00 H new ATOM 683 N ALA A 170 6.240 -11.685 -0.774 1.00 0.00 N ATOM 684 CA ALA A 170 7.130 -11.232 -1.836 1.00 0.00 C ATOM 685 C ALA A 170 8.410 -12.060 -1.869 1.00 0.00 C ATOM 686 O ALA A 170 9.213 -11.871 -2.808 1.00 0.00 O ATOM 687 CB ALA A 170 7.460 -9.758 -1.655 1.00 0.00 C ATOM 688 OXT ALA A 170 8.600 -12.892 -0.957 1.00 0.00 O ATOM 0 H ALA A 170 6.637 -11.625 0.164 1.00 0.00 H new ATOM 0 HA ALA A 170 6.616 -11.365 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.125 -9.433 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.541 -9.173 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.950 -9.610 -0.693 1.00 0.00 H new