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 Single : A 132 SER OG : rot 180:sc= -0.835 USER MOD Single : A 142 HIS : no HE2:sc= -9.31! C(o=-9.3!,f=-10!) USER MOD Single : A 143 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.082) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -105:sc= -0.0135 (180deg=-1.46!) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot -15:sc= -0.822! 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 -4.132 5.925 -2.246 1.00 0.00 N ATOM 71 CA LEU A 131 -2.974 5.833 -1.365 1.00 0.00 C ATOM 72 C LEU A 131 -3.125 6.765 -0.166 1.00 0.00 C ATOM 73 O LEU A 131 -3.933 7.692 -0.186 1.00 0.00 O ATOM 74 CB LEU A 131 -1.694 6.173 -2.135 1.00 0.00 C ATOM 75 CG LEU A 131 -0.814 4.972 -2.489 1.00 0.00 C ATOM 76 CD1 LEU A 131 0.040 5.281 -3.710 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.061 4.583 -1.305 1.00 0.00 C ATOM 0 HA LEU A 131 -2.908 4.809 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.968 6.688 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.106 6.873 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.461 4.127 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.660 4.417 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.606 5.509 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.679 6.139 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.680 3.727 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.701 5.423 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.571 4.320 -0.457 1.00 0.00 H new ATOM 89 N SER A 132 -2.342 6.510 0.878 1.00 0.00 N ATOM 90 CA SER A 132 -2.386 7.325 2.086 1.00 0.00 C ATOM 91 C SER A 132 -1.083 8.097 2.270 1.00 0.00 C ATOM 92 O SER A 132 -0.058 7.751 1.683 1.00 0.00 O ATOM 93 CB SER A 132 -2.648 6.445 3.310 1.00 0.00 C ATOM 94 OG SER A 132 -3.767 5.602 3.102 1.00 0.00 O ATOM 0 H SER A 132 -1.669 5.744 0.911 1.00 0.00 H new ATOM 0 HA SER A 132 -3.200 8.042 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.767 5.839 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.820 7.074 4.184 1.00 0.00 H new ATOM 0 HG SER A 132 -3.912 5.049 3.898 1.00 0.00 H new ATOM 100 N PRO A 133 -1.106 9.162 3.091 1.00 0.00 N ATOM 101 CA PRO A 133 0.080 9.987 3.348 1.00 0.00 C ATOM 102 C PRO A 133 1.247 9.173 3.899 1.00 0.00 C ATOM 103 O PRO A 133 2.342 9.181 3.336 1.00 0.00 O ATOM 104 CB PRO A 133 -0.402 11.000 4.394 1.00 0.00 C ATOM 105 CG PRO A 133 -1.885 11.032 4.242 1.00 0.00 C ATOM 106 CD PRO A 133 -2.286 9.646 3.827 1.00 0.00 C ATOM 0 HA PRO A 133 0.457 10.446 2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.114 10.696 5.400 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.034 11.984 4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.368 11.315 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.185 11.766 3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.510 9.016 4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.177 9.655 3.199 1.00 0.00 H new ATOM 114 N ALA A 134 1.009 8.475 5.005 1.00 0.00 N ATOM 115 CA ALA A 134 2.042 7.661 5.633 1.00 0.00 C ATOM 116 C ALA A 134 2.462 6.506 4.730 1.00 0.00 C ATOM 117 O ALA A 134 3.654 6.266 4.520 1.00 0.00 O ATOM 118 CB ALA A 134 1.554 7.133 6.974 1.00 0.00 C ATOM 0 H ALA A 134 0.109 8.457 5.485 1.00 0.00 H new ATOM 0 HA ALA A 134 2.915 8.293 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.335 6.527 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.313 7.970 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.663 6.523 6.823 1.00 0.00 H new ATOM 124 N ILE A 135 1.480 5.789 4.193 1.00 0.00 N ATOM 125 CA ILE A 135 1.767 4.664 3.316 1.00 0.00 C ATOM 126 C ILE A 135 2.582 5.108 2.112 1.00 0.00 C ATOM 127 O ILE A 135 3.564 4.469 1.758 1.00 0.00 O ATOM 128 CB ILE A 135 0.488 3.967 2.819 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.366 3.513 4.004 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.852 2.781 1.930 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.769 3.102 3.614 1.00 0.00 C ATOM 0 H ILE A 135 0.488 5.966 4.349 1.00 0.00 H new ATOM 0 HA ILE A 135 2.339 3.952 3.911 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.095 4.676 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.126 2.674 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.422 4.322 4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.059 2.294 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.426 3.132 1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.450 2.069 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.318 2.792 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.279 3.945 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.722 2.272 2.909 1.00 0.00 H new ATOM 143 N ARG A 136 2.175 6.207 1.482 1.00 0.00 N ATOM 144 CA ARG A 136 2.891 6.713 0.316 1.00 0.00 C ATOM 145 C ARG A 136 4.379 6.804 0.617 1.00 0.00 C ATOM 146 O ARG A 136 5.218 6.563 -0.253 1.00 0.00 O ATOM 147 CB ARG A 136 2.346 8.080 -0.102 1.00 0.00 C ATOM 148 CG ARG A 136 1.357 8.015 -1.255 1.00 0.00 C ATOM 149 CD ARG A 136 1.534 9.184 -2.212 1.00 0.00 C ATOM 150 NE ARG A 136 1.865 8.740 -3.564 1.00 0.00 N ATOM 151 CZ ARG A 136 2.402 9.529 -4.493 1.00 0.00 C ATOM 152 NH1 ARG A 136 2.667 10.800 -4.220 1.00 0.00 N ATOM 153 NH2 ARG A 136 2.674 9.044 -5.696 1.00 0.00 N ATOM 0 H ARG A 136 1.362 6.759 1.756 1.00 0.00 H new ATOM 0 HA ARG A 136 2.741 6.020 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.861 8.546 0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.179 8.723 -0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.489 7.078 -1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.340 8.016 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.617 9.773 -2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.323 9.839 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 136 1.674 7.769 -3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.459 11.177 -3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 136 3.078 11.400 -4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.472 8.067 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.085 9.647 -6.408 1.00 0.00 H new ATOM 167 N ARG A 137 4.700 7.118 1.865 1.00 0.00 N ATOM 168 CA ARG A 137 6.085 7.199 2.290 1.00 0.00 C ATOM 169 C ARG A 137 6.658 5.793 2.375 1.00 0.00 C ATOM 170 O ARG A 137 7.790 5.540 1.964 1.00 0.00 O ATOM 171 CB ARG A 137 6.191 7.892 3.649 1.00 0.00 C ATOM 172 CG ARG A 137 5.698 9.330 3.639 1.00 0.00 C ATOM 173 CD ARG A 137 6.588 10.231 4.481 1.00 0.00 C ATOM 174 NE ARG A 137 6.569 9.855 5.893 1.00 0.00 N ATOM 175 CZ ARG A 137 7.506 10.211 6.768 1.00 0.00 C ATOM 176 NH1 ARG A 137 8.536 10.955 6.383 1.00 0.00 N ATOM 177 NH2 ARG A 137 7.412 9.826 8.034 1.00 0.00 N ATOM 0 H ARG A 137 4.019 7.320 2.597 1.00 0.00 H new ATOM 0 HA ARG A 137 6.650 7.785 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.617 7.325 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.231 7.875 3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.671 9.699 2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.677 9.368 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.611 10.182 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.259 11.265 4.377 1.00 0.00 H new ATOM 0 HE ARG A 137 5.791 9.286 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 137 8.612 11.257 5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 137 9.251 11.225 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 137 6.621 9.257 8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.130 10.099 8.705 1.00 0.00 H new ATOM 191 N LEU A 138 5.849 4.878 2.903 1.00 0.00 N ATOM 192 CA LEU A 138 6.258 3.485 3.034 1.00 0.00 C ATOM 193 C LEU A 138 6.527 2.865 1.665 1.00 0.00 C ATOM 194 O LEU A 138 7.600 2.313 1.426 1.00 0.00 O ATOM 195 CB LEU A 138 5.181 2.677 3.764 1.00 0.00 C ATOM 196 CG LEU A 138 5.525 1.203 3.974 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.722 1.063 4.901 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.331 0.445 4.530 1.00 0.00 C ATOM 0 H LEU A 138 4.909 5.077 3.246 1.00 0.00 H new ATOM 0 HA LEU A 138 7.179 3.460 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.997 3.136 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.251 2.743 3.199 1.00 0.00 H new ATOM 0 HG LEU A 138 5.783 0.772 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.953 0.007 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.583 1.568 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.489 1.513 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.599 -0.602 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.039 0.877 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.498 0.515 3.831 1.00 0.00 H new ATOM 210 N LEU A 139 5.553 2.970 0.762 1.00 0.00 N ATOM 211 CA LEU A 139 5.701 2.426 -0.582 1.00 0.00 C ATOM 212 C LEU A 139 6.865 3.101 -1.287 1.00 0.00 C ATOM 213 O LEU A 139 7.607 2.468 -2.038 1.00 0.00 O ATOM 214 CB LEU A 139 4.412 2.619 -1.381 1.00 0.00 C ATOM 215 CG LEU A 139 3.313 1.596 -1.088 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.949 2.266 -1.072 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.346 0.469 -2.110 1.00 0.00 C ATOM 0 H LEU A 139 4.657 3.425 0.938 1.00 0.00 H new ATOM 0 HA LEU A 139 5.903 1.357 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.023 3.617 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.651 2.579 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 139 3.495 1.169 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.181 1.522 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.930 3.035 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.756 2.722 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.557 -0.249 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.191 0.878 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.314 -0.031 -2.069 1.00 0.00 H new ATOM 229 N ALA A 140 7.024 4.391 -1.020 1.00 0.00 N ATOM 230 CA ALA A 140 8.111 5.160 -1.608 1.00 0.00 C ATOM 231 C ALA A 140 9.453 4.594 -1.162 1.00 0.00 C ATOM 232 O ALA A 140 10.417 4.570 -1.927 1.00 0.00 O ATOM 233 CB ALA A 140 7.994 6.627 -1.222 1.00 0.00 C ATOM 0 H ALA A 140 6.414 4.925 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 140 8.046 5.087 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.814 7.188 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.045 7.023 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.039 6.722 -0.137 1.00 0.00 H new ATOM 239 N GLU A 141 9.498 4.130 0.084 1.00 0.00 N ATOM 240 CA GLU A 141 10.709 3.549 0.643 1.00 0.00 C ATOM 241 C GLU A 141 10.939 2.153 0.081 1.00 0.00 C ATOM 242 O GLU A 141 12.037 1.822 -0.367 1.00 0.00 O ATOM 243 CB GLU A 141 10.613 3.488 2.170 1.00 0.00 C ATOM 244 CG GLU A 141 10.415 4.846 2.823 1.00 0.00 C ATOM 245 CD GLU A 141 11.482 5.159 3.855 1.00 0.00 C ATOM 246 OE1 GLU A 141 11.727 4.305 4.733 1.00 0.00 O ATOM 247 OE2 GLU A 141 12.072 6.258 3.784 1.00 0.00 O ATOM 0 H GLU A 141 8.705 4.147 0.725 1.00 0.00 H new ATOM 0 HA GLU A 141 11.553 4.181 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.784 2.837 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.522 3.034 2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.421 5.619 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.435 4.877 3.299 1.00 0.00 H new ATOM 254 N HIS A 142 9.889 1.342 0.105 1.00 0.00 N ATOM 255 CA HIS A 142 9.959 -0.022 -0.408 1.00 0.00 C ATOM 256 C HIS A 142 10.093 -0.025 -1.930 1.00 0.00 C ATOM 257 O HIS A 142 10.463 -1.036 -2.526 1.00 0.00 O ATOM 258 CB HIS A 142 8.712 -0.810 0.003 1.00 0.00 C ATOM 259 CG HIS A 142 8.661 -1.151 1.462 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.172 -2.322 1.981 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.144 -0.473 2.513 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.969 -2.347 3.287 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.348 -1.237 3.634 1.00 0.00 N ATOM 0 H HIS A 142 8.976 1.605 0.475 1.00 0.00 H new ATOM 0 HA HIS A 142 10.841 -0.498 0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.826 -0.230 -0.255 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.669 -1.732 -0.577 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.634 -3.054 1.442 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.660 0.492 2.476 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.262 -3.142 3.956 1.00 0.00 H new ATOM 272 N ASN A 143 9.784 1.112 -2.553 1.00 0.00 N ATOM 273 CA ASN A 143 9.866 1.239 -4.003 1.00 0.00 C ATOM 274 C ASN A 143 8.863 0.314 -4.686 1.00 0.00 C ATOM 275 O ASN A 143 9.234 -0.522 -5.511 1.00 0.00 O ATOM 276 CB ASN A 143 11.285 0.930 -4.488 1.00 0.00 C ATOM 277 CG ASN A 143 12.152 2.172 -4.567 1.00 0.00 C ATOM 278 OD1 ASN A 143 13.253 2.210 -4.016 1.00 0.00 O ATOM 279 ND2 ASN A 143 11.659 3.195 -5.253 1.00 0.00 N ATOM 0 H ASN A 143 9.475 1.957 -2.073 1.00 0.00 H new ATOM 0 HA ASN A 143 9.621 2.268 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.748 0.209 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.236 0.461 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.197 4.057 -5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 143 10.742 3.119 -5.693 1.00 0.00 H new ATOM 286 N LEU A 144 7.590 0.470 -4.335 1.00 0.00 N ATOM 287 CA LEU A 144 6.532 -0.352 -4.911 1.00 0.00 C ATOM 288 C LEU A 144 5.431 0.512 -5.516 1.00 0.00 C ATOM 289 O LEU A 144 5.489 1.740 -5.465 1.00 0.00 O ATOM 290 CB LEU A 144 5.932 -1.274 -3.848 1.00 0.00 C ATOM 291 CG LEU A 144 6.941 -1.876 -2.872 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.225 -2.613 -1.752 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.893 -2.808 -3.605 1.00 0.00 C ATOM 0 H LEU A 144 7.267 1.158 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 144 6.976 -0.955 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.189 -0.714 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.404 -2.086 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 144 7.522 -1.067 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.960 -3.035 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.582 -1.918 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.619 -3.415 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.606 -3.230 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.326 -3.613 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.430 -2.250 -4.372 1.00 0.00 H new ATOM 305 N ASP A 145 4.429 -0.147 -6.083 1.00 0.00 N ATOM 306 CA ASP A 145 3.303 0.547 -6.698 1.00 0.00 C ATOM 307 C ASP A 145 1.989 0.102 -6.065 1.00 0.00 C ATOM 308 O ASP A 145 1.669 -1.087 -6.050 1.00 0.00 O ATOM 309 CB ASP A 145 3.273 0.283 -8.204 1.00 0.00 C ATOM 310 CG ASP A 145 2.704 1.452 -8.984 1.00 0.00 C ATOM 311 OD1 ASP A 145 2.890 2.606 -8.544 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.074 1.214 -10.036 1.00 0.00 O ATOM 0 H ASP A 145 4.372 -1.164 -6.130 1.00 0.00 H new ATOM 0 HA ASP A 145 3.427 1.617 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.284 0.074 -8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.677 -0.607 -8.402 1.00 0.00 H new ATOM 317 N ALA A 146 1.236 1.061 -5.538 1.00 0.00 N ATOM 318 CA ALA A 146 -0.042 0.771 -4.895 1.00 0.00 C ATOM 319 C ALA A 146 -0.906 -0.146 -5.758 1.00 0.00 C ATOM 320 O ALA A 146 -1.435 -1.149 -5.278 1.00 0.00 O ATOM 321 CB ALA A 146 -0.783 2.063 -4.592 1.00 0.00 C ATOM 0 H ALA A 146 1.489 2.049 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 146 0.164 0.251 -3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.734 1.833 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.181 2.680 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.966 2.604 -5.521 1.00 0.00 H new ATOM 327 N SER A 147 -1.042 0.203 -7.031 1.00 0.00 N ATOM 328 CA SER A 147 -1.842 -0.587 -7.961 1.00 0.00 C ATOM 329 C SER A 147 -1.293 -2.005 -8.102 1.00 0.00 C ATOM 330 O SER A 147 -1.992 -2.905 -8.568 1.00 0.00 O ATOM 331 CB SER A 147 -1.884 0.092 -9.331 1.00 0.00 C ATOM 332 OG SER A 147 -2.671 1.270 -9.294 1.00 0.00 O ATOM 0 H SER A 147 -0.609 1.029 -7.444 1.00 0.00 H new ATOM 0 HA SER A 147 -2.853 -0.652 -7.558 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.871 0.338 -9.649 1.00 0.00 H new ATOM 0 HB3 SER A 147 -2.292 -0.598 -10.070 1.00 0.00 H new ATOM 0 HG SER A 147 -2.680 1.685 -10.182 1.00 0.00 H new ATOM 338 N ALA A 148 -0.038 -2.201 -7.705 1.00 0.00 N ATOM 339 CA ALA A 148 0.595 -3.512 -7.797 1.00 0.00 C ATOM 340 C ALA A 148 0.382 -4.328 -6.525 1.00 0.00 C ATOM 341 O ALA A 148 0.491 -5.554 -6.539 1.00 0.00 O ATOM 342 CB ALA A 148 2.081 -3.358 -8.084 1.00 0.00 C ATOM 0 H ALA A 148 0.559 -1.470 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 148 0.126 -4.053 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.543 -4.343 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.216 -2.829 -9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.550 -2.791 -7.280 1.00 0.00 H new ATOM 348 N ILE A 149 0.083 -3.644 -5.423 1.00 0.00 N ATOM 349 CA ILE A 149 -0.138 -4.317 -4.146 1.00 0.00 C ATOM 350 C ILE A 149 -1.618 -4.290 -3.763 1.00 0.00 C ATOM 351 O ILE A 149 -2.418 -3.597 -4.391 1.00 0.00 O ATOM 352 CB ILE A 149 0.701 -3.678 -3.016 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.037 -3.166 -3.570 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.934 -4.684 -1.894 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.002 -2.692 -2.505 1.00 0.00 C ATOM 0 H ILE A 149 -0.011 -2.629 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 149 0.180 -5.352 -4.270 1.00 0.00 H new ATOM 0 HB ILE A 149 0.150 -2.831 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.509 -3.962 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.842 -2.346 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.526 -4.219 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.025 -5.003 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.468 -5.550 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.922 -2.346 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.551 -1.873 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.229 -3.515 -1.827 1.00 0.00 H new ATOM 367 N LYS A 150 -1.975 -5.059 -2.737 1.00 0.00 N ATOM 368 CA LYS A 150 -3.359 -5.138 -2.272 1.00 0.00 C ATOM 369 C LYS A 150 -3.977 -3.753 -2.098 1.00 0.00 C ATOM 370 O LYS A 150 -3.306 -2.734 -2.255 1.00 0.00 O ATOM 371 CB LYS A 150 -3.427 -5.910 -0.951 1.00 0.00 C ATOM 372 CG LYS A 150 -3.818 -7.369 -1.120 1.00 0.00 C ATOM 373 CD LYS A 150 -3.029 -8.270 -0.182 1.00 0.00 C ATOM 374 CE LYS A 150 -3.694 -9.629 -0.024 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.422 -9.743 1.271 1.00 0.00 N ATOM 0 H LYS A 150 -1.322 -5.639 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.934 -5.666 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.456 -5.857 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.146 -5.424 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.884 -7.486 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.645 -7.676 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.018 -8.401 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.939 -7.792 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.390 -9.791 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.939 -10.412 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.877 -10.342 1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.541 -8.797 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.356 -10.170 1.108 1.00 0.00 H new ATOM 389 N GLY A 151 -5.266 -3.729 -1.776 1.00 0.00 N ATOM 390 CA GLY A 151 -5.968 -2.473 -1.585 1.00 0.00 C ATOM 391 C GLY A 151 -7.337 -2.673 -0.963 1.00 0.00 C ATOM 392 O GLY A 151 -8.359 -2.432 -1.605 1.00 0.00 O ATOM 0 H GLY A 151 -5.840 -4.562 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.373 -1.819 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.077 -1.969 -2.546 1.00 0.00 H new ATOM 396 N THR A 152 -7.357 -3.120 0.290 1.00 0.00 N ATOM 397 CA THR A 152 -8.611 -3.358 0.996 1.00 0.00 C ATOM 398 C THR A 152 -8.991 -2.163 1.866 1.00 0.00 C ATOM 399 O THR A 152 -9.644 -2.319 2.898 1.00 0.00 O ATOM 400 CB THR A 152 -8.499 -4.615 1.861 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.716 -4.363 3.015 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.881 -5.789 1.133 1.00 0.00 C ATOM 0 H THR A 152 -6.520 -3.324 0.836 1.00 0.00 H new ATOM 0 HA THR A 152 -9.394 -3.501 0.251 1.00 0.00 H new ATOM 0 HB THR A 152 -9.524 -4.873 2.129 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.658 -5.178 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.831 -6.647 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.491 -6.041 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.875 -5.525 0.805 1.00 0.00 H new ATOM 410 N GLY A 153 -8.581 -0.972 1.443 1.00 0.00 N ATOM 411 CA GLY A 153 -8.891 0.229 2.195 1.00 0.00 C ATOM 412 C GLY A 153 -10.381 0.502 2.262 1.00 0.00 C ATOM 413 O GLY A 153 -11.163 -0.369 2.646 1.00 0.00 O ATOM 0 H GLY A 153 -8.039 -0.817 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.496 0.133 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.389 1.081 1.737 1.00 0.00 H new ATOM 417 N VAL A 154 -10.775 1.715 1.890 1.00 0.00 N ATOM 418 CA VAL A 154 -12.181 2.101 1.911 1.00 0.00 C ATOM 419 C VAL A 154 -12.864 1.764 0.587 1.00 0.00 C ATOM 420 O VAL A 154 -13.494 2.619 -0.036 1.00 0.00 O ATOM 421 CB VAL A 154 -12.345 3.606 2.197 1.00 0.00 C ATOM 422 CG1 VAL A 154 -13.815 3.965 2.358 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.555 4.004 3.436 1.00 0.00 C ATOM 0 H VAL A 154 -10.141 2.447 1.571 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.654 1.534 2.713 1.00 0.00 H new ATOM 0 HB VAL A 154 -11.950 4.162 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -13.909 5.032 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.352 3.720 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.239 3.400 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.683 5.070 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -11.917 3.440 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.498 3.787 3.279 1.00 0.00 H new ATOM 433 N GLY A 155 -12.736 0.510 0.164 1.00 0.00 N ATOM 434 CA GLY A 155 -13.348 0.082 -1.080 1.00 0.00 C ATOM 435 C GLY A 155 -12.377 0.095 -2.244 1.00 0.00 C ATOM 436 O GLY A 155 -12.725 0.515 -3.347 1.00 0.00 O ATOM 0 H GLY A 155 -12.220 -0.216 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.747 -0.925 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.191 0.734 -1.308 1.00 0.00 H new ATOM 440 N GLY A 156 -11.155 -0.368 -2.000 1.00 0.00 N ATOM 441 CA GLY A 156 -10.151 -0.401 -3.047 1.00 0.00 C ATOM 442 C GLY A 156 -9.081 0.656 -2.858 1.00 0.00 C ATOM 443 O GLY A 156 -8.934 1.555 -3.686 1.00 0.00 O ATOM 0 H GLY A 156 -10.842 -0.721 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.685 -1.386 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.634 -0.256 -4.014 1.00 0.00 H new ATOM 447 N ARG A 157 -8.332 0.549 -1.766 1.00 0.00 N ATOM 448 CA ARG A 157 -7.268 1.505 -1.471 1.00 0.00 C ATOM 449 C ARG A 157 -6.106 0.822 -0.755 1.00 0.00 C ATOM 450 O ARG A 157 -6.309 -0.070 0.069 1.00 0.00 O ATOM 451 CB ARG A 157 -7.802 2.658 -0.615 1.00 0.00 C ATOM 452 CG ARG A 157 -9.253 3.016 -0.900 1.00 0.00 C ATOM 453 CD ARG A 157 -9.577 4.434 -0.457 1.00 0.00 C ATOM 454 NE ARG A 157 -9.135 4.698 0.910 1.00 0.00 N ATOM 455 CZ ARG A 157 -9.450 5.798 1.591 1.00 0.00 C ATOM 456 NH1 ARG A 157 -10.208 6.736 1.037 1.00 0.00 N ATOM 457 NH2 ARG A 157 -9.004 5.960 2.830 1.00 0.00 N ATOM 0 H ARG A 157 -8.441 -0.189 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.906 1.906 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.703 2.392 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.181 3.539 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.451 2.913 -1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.909 2.314 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.101 5.143 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.652 4.599 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.551 3.999 1.370 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.553 6.616 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.446 7.576 1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.420 5.242 3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.245 6.802 3.353 1.00 0.00 H new ATOM 471 N LEU A 158 -4.890 1.248 -1.076 1.00 0.00 N ATOM 472 CA LEU A 158 -3.690 0.683 -0.467 1.00 0.00 C ATOM 473 C LEU A 158 -3.673 0.938 1.038 1.00 0.00 C ATOM 474 O LEU A 158 -3.975 2.041 1.494 1.00 0.00 O ATOM 475 CB LEU A 158 -2.440 1.290 -1.110 1.00 0.00 C ATOM 476 CG LEU A 158 -1.196 0.398 -1.103 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.842 -0.020 0.314 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.409 -0.824 -1.983 1.00 0.00 C ATOM 0 H LEU A 158 -4.708 1.985 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.696 -0.394 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.674 1.550 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.202 2.220 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.363 0.972 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.045 -0.653 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.642 0.867 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.674 -0.574 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.514 -1.446 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.257 -1.398 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.609 -0.505 -3.006 1.00 0.00 H new ATOM 490 N THR A 159 -3.314 -0.087 1.807 1.00 0.00 N ATOM 491 CA THR A 159 -3.254 0.031 3.259 1.00 0.00 C ATOM 492 C THR A 159 -2.001 -0.644 3.808 1.00 0.00 C ATOM 493 O THR A 159 -1.396 -1.489 3.145 1.00 0.00 O ATOM 494 CB THR A 159 -4.502 -0.582 3.898 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.101 -1.524 3.027 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.555 0.444 4.258 1.00 0.00 C ATOM 0 H THR A 159 -3.061 -1.007 1.448 1.00 0.00 H new ATOM 0 HA THR A 159 -3.213 1.091 3.510 1.00 0.00 H new ATOM 0 HB THR A 159 -4.153 -1.058 4.814 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.741 -1.409 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.413 -0.057 4.706 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.139 1.158 4.969 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.872 0.971 3.358 1.00 0.00 H new ATOM 504 N ARG A 160 -1.617 -0.273 5.029 1.00 0.00 N ATOM 505 CA ARG A 160 -0.435 -0.847 5.664 1.00 0.00 C ATOM 506 C ARG A 160 -0.541 -2.365 5.708 1.00 0.00 C ATOM 507 O ARG A 160 0.450 -3.074 5.533 1.00 0.00 O ATOM 508 CB ARG A 160 -0.268 -0.292 7.080 1.00 0.00 C ATOM 509 CG ARG A 160 1.080 -0.615 7.705 1.00 0.00 C ATOM 510 CD ARG A 160 2.019 0.580 7.660 1.00 0.00 C ATOM 511 NE ARG A 160 3.400 0.203 7.953 1.00 0.00 N ATOM 512 CZ ARG A 160 3.866 -0.010 9.182 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.066 0.112 10.233 1.00 0.00 N ATOM 514 NH2 ARG A 160 5.135 -0.349 9.360 1.00 0.00 N ATOM 0 H ARG A 160 -2.106 0.420 5.595 1.00 0.00 H new ATOM 0 HA ARG A 160 0.440 -0.573 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.398 0.790 7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -1.059 -0.693 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.937 -0.927 8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.534 -1.455 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.971 1.042 6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.687 1.329 8.379 1.00 0.00 H new ATOM 0 HE ARG A 160 4.045 0.097 7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.088 0.370 10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.429 -0.052 11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 160 5.754 -0.447 8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.492 -0.512 10.301 1.00 0.00 H new ATOM 528 N GLU A 161 -1.755 -2.857 5.922 1.00 0.00 N ATOM 529 CA GLU A 161 -1.994 -4.291 5.964 1.00 0.00 C ATOM 530 C GLU A 161 -1.668 -4.912 4.612 1.00 0.00 C ATOM 531 O GLU A 161 -1.135 -6.019 4.535 1.00 0.00 O ATOM 532 CB GLU A 161 -3.450 -4.580 6.340 1.00 0.00 C ATOM 533 CG GLU A 161 -3.669 -5.981 6.887 1.00 0.00 C ATOM 534 CD GLU A 161 -5.132 -6.284 7.145 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.994 -5.612 6.538 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.417 -7.193 7.953 1.00 0.00 O ATOM 0 H GLU A 161 -2.586 -2.284 6.069 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.347 -4.731 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.776 -3.853 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.079 -4.440 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.270 -6.709 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.109 -6.097 7.815 1.00 0.00 H new ATOM 543 N ASP A 162 -1.983 -4.179 3.545 1.00 0.00 N ATOM 544 CA ASP A 162 -1.716 -4.647 2.192 1.00 0.00 C ATOM 545 C ASP A 162 -0.217 -4.780 1.963 1.00 0.00 C ATOM 546 O ASP A 162 0.260 -5.812 1.490 1.00 0.00 O ATOM 547 CB ASP A 162 -2.317 -3.682 1.169 1.00 0.00 C ATOM 548 CG ASP A 162 -3.822 -3.563 1.302 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.449 -4.512 1.816 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.373 -2.521 0.892 1.00 0.00 O ATOM 0 H ASP A 162 -2.423 -3.260 3.594 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.178 -5.626 2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.865 -2.698 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.070 -4.022 0.163 1.00 0.00 H new ATOM 555 N VAL A 163 0.524 -3.732 2.311 1.00 0.00 N ATOM 556 CA VAL A 163 1.971 -3.740 2.152 1.00 0.00 C ATOM 557 C VAL A 163 2.595 -4.862 2.973 1.00 0.00 C ATOM 558 O VAL A 163 3.612 -5.438 2.588 1.00 0.00 O ATOM 559 CB VAL A 163 2.597 -2.397 2.577 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.080 -2.368 2.237 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.869 -1.235 1.918 1.00 0.00 C ATOM 0 H VAL A 163 0.146 -2.870 2.704 1.00 0.00 H new ATOM 0 HA VAL A 163 2.175 -3.901 1.094 1.00 0.00 H new ATOM 0 HB VAL A 163 2.493 -2.295 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.505 -1.412 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.589 -3.177 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.209 -2.494 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.325 -0.296 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.939 -1.330 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.821 -1.246 2.217 1.00 0.00 H new ATOM 571 N GLU A 164 1.971 -5.171 4.107 1.00 0.00 N ATOM 572 CA GLU A 164 2.459 -6.230 4.981 1.00 0.00 C ATOM 573 C GLU A 164 2.339 -7.587 4.296 1.00 0.00 C ATOM 574 O GLU A 164 3.292 -8.368 4.275 1.00 0.00 O ATOM 575 CB GLU A 164 1.677 -6.237 6.296 1.00 0.00 C ATOM 576 CG GLU A 164 2.240 -5.289 7.342 1.00 0.00 C ATOM 577 CD GLU A 164 3.542 -5.785 7.939 1.00 0.00 C ATOM 578 OE1 GLU A 164 4.527 -5.927 7.182 1.00 0.00 O ATOM 579 OE2 GLU A 164 3.579 -6.032 9.163 1.00 0.00 O ATOM 0 H GLU A 164 1.128 -4.703 4.440 1.00 0.00 H new ATOM 0 HA GLU A 164 3.510 -6.039 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.640 -5.968 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.671 -7.249 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.402 -4.310 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.507 -5.156 8.138 1.00 0.00 H new ATOM 586 N LYS A 165 1.168 -7.859 3.729 1.00 0.00 N ATOM 587 CA LYS A 165 0.932 -9.121 3.036 1.00 0.00 C ATOM 588 C LYS A 165 1.893 -9.270 1.862 1.00 0.00 C ATOM 589 O LYS A 165 2.448 -10.345 1.633 1.00 0.00 O ATOM 590 CB LYS A 165 -0.514 -9.198 2.541 1.00 0.00 C ATOM 591 CG LYS A 165 -1.547 -9.127 3.655 1.00 0.00 C ATOM 592 CD LYS A 165 -1.276 -10.160 4.737 1.00 0.00 C ATOM 593 CE LYS A 165 -2.301 -10.076 5.857 1.00 0.00 C ATOM 594 NZ LYS A 165 -3.369 -11.103 5.711 1.00 0.00 N ATOM 0 H LYS A 165 0.369 -7.224 3.735 1.00 0.00 H new ATOM 0 HA LYS A 165 1.106 -9.936 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.692 -8.383 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.651 -10.128 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.541 -8.129 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.542 -9.287 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -1.293 -11.159 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.277 -10.008 5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -1.801 -10.206 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.751 -9.083 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -4.047 -11.012 6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -3.863 -10.964 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -2.943 -12.052 5.730 1.00 0.00 H new ATOM 608 N TRP A 166 2.089 -8.181 1.125 1.00 0.00 N ATOM 609 CA TRP A 166 2.988 -8.183 -0.021 1.00 0.00 C ATOM 610 C TRP A 166 4.433 -8.351 0.437 1.00 0.00 C ATOM 611 O TRP A 166 5.192 -9.134 -0.136 1.00 0.00 O ATOM 612 CB TRP A 166 2.831 -6.883 -0.813 1.00 0.00 C ATOM 613 CG TRP A 166 3.825 -6.728 -1.926 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.625 -6.988 -3.251 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.177 -6.275 -1.807 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.774 -6.731 -3.961 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.740 -6.293 -3.096 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.965 -5.858 -0.734 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.056 -5.911 -3.338 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.272 -5.478 -0.975 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.806 -5.508 -2.267 1.00 0.00 C ATOM 0 H TRP A 166 1.636 -7.285 1.303 1.00 0.00 H new ATOM 0 HA TRP A 166 2.730 -9.023 -0.667 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.824 -6.841 -1.229 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.929 -6.039 -0.131 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.699 -7.344 -3.679 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.888 -6.848 -4.968 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.561 -5.833 0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.470 -5.932 -4.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.891 -5.153 -0.152 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.831 -5.207 -2.423 1.00 0.00 H new ATOM 632 N LEU A 167 4.804 -7.609 1.474 1.00 0.00 N ATOM 633 CA LEU A 167 6.158 -7.672 2.017 1.00 0.00 C ATOM 634 C LEU A 167 6.501 -9.092 2.454 1.00 0.00 C ATOM 635 O LEU A 167 7.649 -9.524 2.351 1.00 0.00 O ATOM 636 CB LEU A 167 6.300 -6.713 3.200 1.00 0.00 C ATOM 637 CG LEU A 167 6.629 -5.268 2.823 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.364 -4.334 3.995 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.074 -5.155 2.365 1.00 0.00 C ATOM 0 H LEU A 167 4.187 -6.956 1.957 1.00 0.00 H new ATOM 0 HA LEU A 167 6.853 -7.374 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.371 -6.722 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.082 -7.088 3.861 1.00 0.00 H new ATOM 0 HG LEU A 167 5.981 -4.972 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.604 -3.311 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.313 -4.394 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.985 -4.627 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.292 -4.120 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.737 -5.471 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.231 -5.793 1.495 1.00 0.00 H new ATOM 651 N ALA A 168 5.496 -9.811 2.942 1.00 0.00 N ATOM 652 CA ALA A 168 5.687 -11.184 3.395 1.00 0.00 C ATOM 653 C ALA A 168 5.574 -12.169 2.237 1.00 0.00 C ATOM 654 O ALA A 168 6.201 -13.227 2.246 1.00 0.00 O ATOM 655 CB ALA A 168 4.676 -11.525 4.481 1.00 0.00 C ATOM 0 H ALA A 168 4.541 -9.466 3.034 1.00 0.00 H new ATOM 0 HA ALA A 168 6.692 -11.267 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.829 -12.553 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.808 -10.849 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.666 -11.418 4.085 1.00 0.00 H new ATOM 661 N LYS A 169 4.769 -11.814 1.240 1.00 0.00 N ATOM 662 CA LYS A 169 4.574 -12.669 0.074 1.00 0.00 C ATOM 663 C LYS A 169 5.456 -12.221 -1.086 1.00 0.00 C ATOM 664 O LYS A 169 5.084 -12.364 -2.252 1.00 0.00 O ATOM 665 CB LYS A 169 3.105 -12.658 -0.353 1.00 0.00 C ATOM 666 CG LYS A 169 2.255 -13.695 0.364 1.00 0.00 C ATOM 667 CD LYS A 169 1.132 -14.205 -0.525 1.00 0.00 C ATOM 668 CE LYS A 169 1.576 -15.400 -1.353 1.00 0.00 C ATOM 669 NZ LYS A 169 1.138 -16.689 -0.749 1.00 0.00 N ATOM 0 H LYS A 169 4.242 -10.941 1.216 1.00 0.00 H new ATOM 0 HA LYS A 169 4.858 -13.685 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.689 -11.668 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.046 -12.832 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.883 -14.530 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.834 -13.259 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.278 -14.485 0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 169 0.799 -13.406 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.169 -15.315 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 169 2.662 -15.393 -1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 1.461 -17.479 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.547 -16.783 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.100 -16.707 -0.683 1.00 0.00 H new ATOM 683 N ALA A 170 6.625 -11.679 -0.761 1.00 0.00 N ATOM 684 CA ALA A 170 7.559 -11.211 -1.778 1.00 0.00 C ATOM 685 C ALA A 170 8.861 -10.731 -1.144 1.00 0.00 C ATOM 686 O ALA A 170 8.933 -9.542 -0.769 1.00 0.00 O ATOM 687 CB ALA A 170 6.927 -10.099 -2.603 1.00 0.00 C ATOM 688 OXT ALA A 170 9.799 -11.548 -1.031 1.00 0.00 O ATOM 0 H ALA A 170 6.948 -11.553 0.198 1.00 0.00 H new ATOM 0 HA ALA A 170 7.793 -12.047 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.635 -9.759 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.028 -10.474 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 170 6.665 -9.266 -1.951 1.00 0.00 H new