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= -1.27 USER MOD Single : A 142 HIS : no HE2:sc= -7.89! C(o=-7.9!,f=-9.6!) USER MOD Single : A 143 ASN : amide:sc= -0.252 X(o=-0.25,f=0.11) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 155:sc= -0.137 (180deg=-0.657) USER MOD Single : A 152 THR OG1 : rot -70:sc= 0.456 USER MOD Single : A 159 THR OG1 : rot 42:sc= 0.887 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 -4.287 5.425 -1.930 1.00 0.00 N ATOM 71 CA LEU A 131 -3.083 5.433 -1.107 1.00 0.00 C ATOM 72 C LEU A 131 -3.239 6.380 0.079 1.00 0.00 C ATOM 73 O LEU A 131 -4.226 7.107 0.182 1.00 0.00 O ATOM 74 CB LEU A 131 -1.868 5.835 -1.947 1.00 0.00 C ATOM 75 CG LEU A 131 -0.974 4.674 -2.386 1.00 0.00 C ATOM 76 CD1 LEU A 131 0.162 5.177 -3.263 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.427 3.934 -1.173 1.00 0.00 C ATOM 0 HA LEU A 131 -2.929 4.425 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.217 6.361 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.266 6.541 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.576 3.978 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.787 4.337 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.249 5.661 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.763 5.894 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.207 3.111 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.159 4.620 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.255 3.540 -0.584 1.00 0.00 H new ATOM 89 N SER A 132 -2.254 6.364 0.973 1.00 0.00 N ATOM 90 CA SER A 132 -2.276 7.219 2.154 1.00 0.00 C ATOM 91 C SER A 132 -0.982 8.021 2.265 1.00 0.00 C ATOM 92 O SER A 132 0.052 7.621 1.731 1.00 0.00 O ATOM 93 CB SER A 132 -2.482 6.370 3.414 1.00 0.00 C ATOM 94 OG SER A 132 -1.910 6.989 4.553 1.00 0.00 O ATOM 0 H SER A 132 -1.430 5.767 0.901 1.00 0.00 H new ATOM 0 HA SER A 132 -3.106 7.919 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.548 6.214 3.579 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.035 5.387 3.269 1.00 0.00 H new ATOM 0 HG SER A 132 -2.059 6.425 5.341 1.00 0.00 H new ATOM 100 N PRO A 133 -1.021 9.168 2.965 1.00 0.00 N ATOM 101 CA PRO A 133 0.155 10.025 3.145 1.00 0.00 C ATOM 102 C PRO A 133 1.348 9.256 3.705 1.00 0.00 C ATOM 103 O PRO A 133 2.425 9.244 3.111 1.00 0.00 O ATOM 104 CB PRO A 133 -0.315 11.095 4.144 1.00 0.00 C ATOM 105 CG PRO A 133 -1.598 10.581 4.707 1.00 0.00 C ATOM 106 CD PRO A 133 -2.204 9.722 3.636 1.00 0.00 C ATOM 0 HA PRO A 133 0.500 10.441 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.424 11.249 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.460 12.056 3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.423 10.006 5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.264 11.402 4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.837 8.939 4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -2.824 10.303 2.952 1.00 0.00 H new ATOM 114 N ALA A 134 1.147 8.613 4.852 1.00 0.00 N ATOM 115 CA ALA A 134 2.206 7.840 5.489 1.00 0.00 C ATOM 116 C ALA A 134 2.635 6.671 4.609 1.00 0.00 C ATOM 117 O ALA A 134 3.830 6.442 4.393 1.00 0.00 O ATOM 118 CB ALA A 134 1.748 7.339 6.850 1.00 0.00 C ATOM 0 H ALA A 134 0.261 8.613 5.358 1.00 0.00 H new ATOM 0 HA ALA A 134 3.068 8.493 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.549 6.763 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.497 8.189 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.870 6.705 6.728 1.00 0.00 H new ATOM 124 N ILE A 135 1.658 5.931 4.097 1.00 0.00 N ATOM 125 CA ILE A 135 1.952 4.793 3.241 1.00 0.00 C ATOM 126 C ILE A 135 2.799 5.217 2.052 1.00 0.00 C ATOM 127 O ILE A 135 3.762 4.546 1.706 1.00 0.00 O ATOM 128 CB ILE A 135 0.679 4.103 2.720 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.214 3.681 3.888 1.00 0.00 C ATOM 130 CG2 ILE A 135 1.053 2.898 1.861 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.480 2.973 3.456 1.00 0.00 C ATOM 0 H ILE A 135 0.665 6.098 4.259 1.00 0.00 H new ATOM 0 HA ILE A 135 2.500 4.081 3.858 1.00 0.00 H new ATOM 0 HB ILE A 135 0.121 4.808 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.352 3.025 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.481 4.564 4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.146 2.416 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.654 3.228 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.626 2.189 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.064 2.703 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.068 3.634 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.221 2.071 2.901 1.00 0.00 H new ATOM 143 N ARG A 136 2.443 6.336 1.428 1.00 0.00 N ATOM 144 CA ARG A 136 3.193 6.826 0.278 1.00 0.00 C ATOM 145 C ARG A 136 4.678 6.859 0.603 1.00 0.00 C ATOM 146 O ARG A 136 5.520 6.558 -0.244 1.00 0.00 O ATOM 147 CB ARG A 136 2.708 8.219 -0.131 1.00 0.00 C ATOM 148 CG ARG A 136 1.543 8.194 -1.106 1.00 0.00 C ATOM 149 CD ARG A 136 1.051 9.597 -1.423 1.00 0.00 C ATOM 150 NE ARG A 136 -0.082 9.586 -2.345 1.00 0.00 N ATOM 151 CZ ARG A 136 -1.333 9.316 -1.979 1.00 0.00 C ATOM 152 NH1 ARG A 136 -1.616 9.038 -0.713 1.00 0.00 N ATOM 153 NH2 ARG A 136 -2.305 9.326 -2.882 1.00 0.00 N ATOM 0 H ARG A 136 1.648 6.915 1.697 1.00 0.00 H new ATOM 0 HA ARG A 136 3.028 6.148 -0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.412 8.769 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.537 8.766 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.849 7.698 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.727 7.608 -0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.761 10.097 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.865 10.177 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 136 0.096 9.798 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.873 9.030 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.577 8.832 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.094 9.541 -3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.264 9.119 -2.602 1.00 0.00 H new ATOM 167 N ARG A 137 4.989 7.191 1.848 1.00 0.00 N ATOM 168 CA ARG A 137 6.369 7.221 2.298 1.00 0.00 C ATOM 169 C ARG A 137 6.893 5.797 2.379 1.00 0.00 C ATOM 170 O ARG A 137 8.020 5.510 1.976 1.00 0.00 O ATOM 171 CB ARG A 137 6.476 7.901 3.662 1.00 0.00 C ATOM 172 CG ARG A 137 6.056 9.363 3.651 1.00 0.00 C ATOM 173 CD ARG A 137 7.238 10.286 3.902 1.00 0.00 C ATOM 174 NE ARG A 137 6.819 11.674 4.086 1.00 0.00 N ATOM 175 CZ ARG A 137 6.298 12.149 5.215 1.00 0.00 C ATOM 176 NH1 ARG A 137 6.129 11.351 6.262 1.00 0.00 N ATOM 177 NH2 ARG A 137 5.944 13.424 5.297 1.00 0.00 N ATOM 0 H ARG A 137 4.305 7.442 2.561 1.00 0.00 H new ATOM 0 HA ARG A 137 6.967 7.793 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.857 7.360 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.505 7.830 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.602 9.605 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 137 5.295 9.529 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.779 9.950 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.931 10.225 3.063 1.00 0.00 H new ATOM 0 HE ARG A 137 6.933 12.317 3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 137 6.399 10.369 6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 137 5.729 11.720 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 137 6.071 14.041 4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 137 5.545 13.788 6.162 1.00 0.00 H new ATOM 191 N LEU A 138 6.052 4.904 2.895 1.00 0.00 N ATOM 192 CA LEU A 138 6.420 3.498 3.021 1.00 0.00 C ATOM 193 C LEU A 138 6.691 2.882 1.649 1.00 0.00 C ATOM 194 O LEU A 138 7.753 2.304 1.421 1.00 0.00 O ATOM 195 CB LEU A 138 5.314 2.713 3.728 1.00 0.00 C ATOM 196 CG LEU A 138 5.627 1.232 3.943 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.870 1.074 4.804 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.445 0.516 4.576 1.00 0.00 C ATOM 0 H LEU A 138 5.115 5.128 3.231 1.00 0.00 H new ATOM 0 HA LEU A 138 7.331 3.444 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.120 3.175 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.397 2.797 3.145 1.00 0.00 H new ATOM 0 HG LEU A 138 5.817 0.777 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.080 0.014 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.718 1.548 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.704 1.546 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.691 -0.536 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.218 0.970 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.577 0.600 3.923 1.00 0.00 H new ATOM 210 N LEU A 139 5.734 3.022 0.733 1.00 0.00 N ATOM 211 CA LEU A 139 5.885 2.489 -0.615 1.00 0.00 C ATOM 212 C LEU A 139 7.110 3.101 -1.272 1.00 0.00 C ATOM 213 O LEU A 139 7.830 2.438 -2.021 1.00 0.00 O ATOM 214 CB LEU A 139 4.638 2.784 -1.451 1.00 0.00 C ATOM 215 CG LEU A 139 3.468 1.826 -1.230 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.176 2.431 -1.757 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.741 0.487 -1.899 1.00 0.00 C ATOM 0 H LEU A 139 4.849 3.499 0.902 1.00 0.00 H new ATOM 0 HA LEU A 139 6.011 1.408 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.304 3.798 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.913 2.760 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 139 3.358 1.660 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.354 1.735 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.972 3.365 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.275 2.627 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.897 -0.182 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.878 0.637 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.644 0.046 -1.476 1.00 0.00 H new ATOM 229 N ALA A 140 7.345 4.370 -0.965 1.00 0.00 N ATOM 230 CA ALA A 140 8.496 5.081 -1.501 1.00 0.00 C ATOM 231 C ALA A 140 9.786 4.444 -0.998 1.00 0.00 C ATOM 232 O ALA A 140 10.782 4.377 -1.718 1.00 0.00 O ATOM 233 CB ALA A 140 8.439 6.552 -1.115 1.00 0.00 C ATOM 0 H ALA A 140 6.754 4.927 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 140 8.475 5.012 -2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.307 7.069 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.529 6.998 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.440 6.643 -0.029 1.00 0.00 H new ATOM 239 N GLU A 141 9.749 3.968 0.243 1.00 0.00 N ATOM 240 CA GLU A 141 10.903 3.322 0.853 1.00 0.00 C ATOM 241 C GLU A 141 11.146 1.958 0.221 1.00 0.00 C ATOM 242 O GLU A 141 12.263 1.632 -0.178 1.00 0.00 O ATOM 243 CB GLU A 141 10.691 3.167 2.359 1.00 0.00 C ATOM 244 CG GLU A 141 10.626 4.490 3.105 1.00 0.00 C ATOM 245 CD GLU A 141 9.799 4.404 4.372 1.00 0.00 C ATOM 246 OE1 GLU A 141 9.891 3.374 5.074 1.00 0.00 O ATOM 247 OE2 GLU A 141 9.058 5.367 4.664 1.00 0.00 O ATOM 0 H GLU A 141 8.928 4.019 0.847 1.00 0.00 H new ATOM 0 HA GLU A 141 11.778 3.950 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.766 2.616 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.502 2.567 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.637 4.811 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.203 5.252 2.450 1.00 0.00 H new ATOM 254 N HIS A 142 10.082 1.169 0.128 1.00 0.00 N ATOM 255 CA HIS A 142 10.162 -0.161 -0.463 1.00 0.00 C ATOM 256 C HIS A 142 10.314 -0.070 -1.980 1.00 0.00 C ATOM 257 O HIS A 142 10.716 -1.034 -2.631 1.00 0.00 O ATOM 258 CB HIS A 142 8.912 -0.974 -0.119 1.00 0.00 C ATOM 259 CG HIS A 142 8.770 -1.282 1.342 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.311 -2.404 1.932 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.133 -0.610 2.330 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.010 -2.410 3.220 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.298 -1.332 3.486 1.00 0.00 N ATOM 0 H HIS A 142 9.151 1.428 0.455 1.00 0.00 H new ATOM 0 HA HIS A 142 11.038 -0.661 -0.051 1.00 0.00 H new ATOM 0 HB2 HIS A 142 8.031 -0.425 -0.452 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.934 -1.910 -0.677 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.858 -3.118 1.451 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.595 0.321 2.228 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.298 -3.169 3.933 1.00 0.00 H new ATOM 272 N ASN A 143 9.984 1.095 -2.538 1.00 0.00 N ATOM 273 CA ASN A 143 10.079 1.312 -3.976 1.00 0.00 C ATOM 274 C ASN A 143 9.104 0.408 -4.723 1.00 0.00 C ATOM 275 O ASN A 143 9.502 -0.382 -5.580 1.00 0.00 O ATOM 276 CB ASN A 143 11.509 1.062 -4.462 1.00 0.00 C ATOM 277 CG ASN A 143 12.340 2.331 -4.489 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.104 3.258 -3.714 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.319 2.378 -5.384 1.00 0.00 N ATOM 0 H ASN A 143 9.648 1.902 -2.012 1.00 0.00 H new ATOM 0 HA ASN A 143 9.816 2.350 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.988 0.331 -3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.480 0.629 -5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.911 3.206 -5.449 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.479 1.586 -6.007 1.00 0.00 H new ATOM 286 N LEU A 144 7.822 0.528 -4.388 1.00 0.00 N ATOM 287 CA LEU A 144 6.790 -0.283 -5.026 1.00 0.00 C ATOM 288 C LEU A 144 5.742 0.589 -5.704 1.00 0.00 C ATOM 289 O LEU A 144 5.794 1.816 -5.635 1.00 0.00 O ATOM 290 CB LEU A 144 6.111 -1.190 -3.999 1.00 0.00 C ATOM 291 CG LEU A 144 7.044 -1.801 -2.959 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.247 -2.494 -1.866 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.007 -2.775 -3.620 1.00 0.00 C ATOM 0 H LEU A 144 7.474 1.176 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 144 7.276 -0.895 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.342 -0.616 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.604 -1.997 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 144 7.624 -0.999 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.931 -2.923 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.597 -1.770 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.641 -3.286 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.667 -3.203 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.443 -3.573 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.603 -2.248 -4.366 1.00 0.00 H new ATOM 305 N ASP A 145 4.786 -0.064 -6.352 1.00 0.00 N ATOM 306 CA ASP A 145 3.708 0.632 -7.041 1.00 0.00 C ATOM 307 C ASP A 145 2.352 0.139 -6.549 1.00 0.00 C ATOM 308 O ASP A 145 2.116 -1.066 -6.460 1.00 0.00 O ATOM 309 CB ASP A 145 3.823 0.426 -8.553 1.00 0.00 C ATOM 310 CG ASP A 145 3.369 1.640 -9.339 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.797 2.763 -8.998 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.586 1.468 -10.297 1.00 0.00 O ATOM 0 H ASP A 145 4.736 -1.081 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 145 3.792 1.697 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.858 0.198 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.225 -0.437 -8.846 1.00 0.00 H new ATOM 317 N ALA A 146 1.466 1.074 -6.227 1.00 0.00 N ATOM 318 CA ALA A 146 0.133 0.731 -5.740 1.00 0.00 C ATOM 319 C ALA A 146 -0.532 -0.311 -6.635 1.00 0.00 C ATOM 320 O ALA A 146 -1.135 -1.268 -6.150 1.00 0.00 O ATOM 321 CB ALA A 146 -0.730 1.980 -5.649 1.00 0.00 C ATOM 0 H ALA A 146 1.645 2.076 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 146 0.237 0.299 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.722 1.711 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.271 2.690 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.817 2.435 -6.636 1.00 0.00 H new ATOM 327 N SER A 147 -0.411 -0.120 -7.945 1.00 0.00 N ATOM 328 CA SER A 147 -0.996 -1.044 -8.910 1.00 0.00 C ATOM 329 C SER A 147 -0.388 -2.440 -8.781 1.00 0.00 C ATOM 330 O SER A 147 -0.958 -3.418 -9.262 1.00 0.00 O ATOM 331 CB SER A 147 -0.796 -0.519 -10.333 1.00 0.00 C ATOM 332 OG SER A 147 -1.918 -0.810 -11.147 1.00 0.00 O ATOM 0 H SER A 147 0.087 0.666 -8.362 1.00 0.00 H new ATOM 0 HA SER A 147 -2.063 -1.116 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.632 0.558 -10.307 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.098 -0.967 -10.767 1.00 0.00 H new ATOM 0 HG SER A 147 -1.765 -0.463 -12.051 1.00 0.00 H new ATOM 338 N ALA A 148 0.770 -2.527 -8.130 1.00 0.00 N ATOM 339 CA ALA A 148 1.443 -3.807 -7.945 1.00 0.00 C ATOM 340 C ALA A 148 1.010 -4.478 -6.645 1.00 0.00 C ATOM 341 O ALA A 148 1.167 -5.687 -6.478 1.00 0.00 O ATOM 342 CB ALA A 148 2.952 -3.615 -7.962 1.00 0.00 C ATOM 0 H ALA A 148 1.259 -1.729 -7.724 1.00 0.00 H new ATOM 0 HA ALA A 148 1.158 -4.459 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.443 -4.578 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.254 -3.189 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.242 -2.940 -7.157 1.00 0.00 H new ATOM 348 N ILE A 149 0.462 -3.687 -5.725 1.00 0.00 N ATOM 349 CA ILE A 149 0.009 -4.211 -4.441 1.00 0.00 C ATOM 350 C ILE A 149 -1.502 -4.058 -4.295 1.00 0.00 C ATOM 351 O ILE A 149 -2.117 -3.224 -4.959 1.00 0.00 O ATOM 352 CB ILE A 149 0.712 -3.505 -3.261 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.141 -3.110 -3.654 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.719 -4.406 -2.030 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.959 -2.557 -2.508 1.00 0.00 C ATOM 0 H ILE A 149 0.322 -2.684 -5.845 1.00 0.00 H new ATOM 0 HA ILE A 149 0.268 -5.269 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 149 0.160 -2.598 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.650 -3.983 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.097 -2.365 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.218 -3.894 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.307 -4.639 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.251 -5.330 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.957 -2.301 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.474 -1.664 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.036 -3.307 -1.721 1.00 0.00 H new ATOM 367 N LYS A 150 -2.096 -4.876 -3.433 1.00 0.00 N ATOM 368 CA LYS A 150 -3.538 -4.838 -3.211 1.00 0.00 C ATOM 369 C LYS A 150 -3.931 -3.692 -2.285 1.00 0.00 C ATOM 370 O LYS A 150 -3.082 -3.090 -1.627 1.00 0.00 O ATOM 371 CB LYS A 150 -4.018 -6.167 -2.625 1.00 0.00 C ATOM 372 CG LYS A 150 -3.779 -7.359 -3.539 1.00 0.00 C ATOM 373 CD LYS A 150 -2.662 -8.248 -3.019 1.00 0.00 C ATOM 374 CE LYS A 150 -1.965 -8.986 -4.150 1.00 0.00 C ATOM 375 NZ LYS A 150 -1.273 -8.051 -5.080 1.00 0.00 N ATOM 0 H LYS A 150 -1.602 -5.573 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.017 -4.673 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.510 -6.340 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.084 -6.095 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.697 -7.941 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.528 -7.006 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.936 -7.642 -2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.069 -8.968 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -1.241 -9.687 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.696 -9.575 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -0.494 -8.549 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.949 -7.704 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -0.892 -7.246 -4.543 1.00 0.00 H new ATOM 389 N GLY A 151 -5.227 -3.398 -2.241 1.00 0.00 N ATOM 390 CA GLY A 151 -5.723 -2.328 -1.394 1.00 0.00 C ATOM 391 C GLY A 151 -7.105 -2.628 -0.843 1.00 0.00 C ATOM 392 O GLY A 151 -8.056 -2.811 -1.604 1.00 0.00 O ATOM 0 H GLY A 151 -5.945 -3.884 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.030 -2.170 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.755 -1.400 -1.965 1.00 0.00 H new ATOM 396 N THR A 152 -7.217 -2.683 0.480 1.00 0.00 N ATOM 397 CA THR A 152 -8.493 -2.967 1.127 1.00 0.00 C ATOM 398 C THR A 152 -8.760 -1.991 2.269 1.00 0.00 C ATOM 399 O THR A 152 -8.765 -2.373 3.440 1.00 0.00 O ATOM 400 CB THR A 152 -8.511 -4.404 1.652 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.292 -4.716 2.302 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.729 -5.435 0.566 1.00 0.00 C ATOM 0 H THR A 152 -6.441 -2.535 1.125 1.00 0.00 H new ATOM 0 HA THR A 152 -9.282 -2.847 0.384 1.00 0.00 H new ATOM 0 HB THR A 152 -9.351 -4.447 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.572 -4.771 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.731 -6.432 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.686 -5.252 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.927 -5.364 -0.169 1.00 0.00 H new ATOM 410 N GLY A 153 -8.988 -0.730 1.920 1.00 0.00 N ATOM 411 CA GLY A 153 -9.260 0.282 2.925 1.00 0.00 C ATOM 412 C GLY A 153 -10.741 0.423 3.208 1.00 0.00 C ATOM 413 O GLY A 153 -11.189 0.225 4.337 1.00 0.00 O ATOM 0 H GLY A 153 -8.989 -0.390 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.738 0.025 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.863 1.240 2.590 1.00 0.00 H new ATOM 417 N VAL A 154 -11.498 0.765 2.174 1.00 0.00 N ATOM 418 CA VAL A 154 -12.940 0.935 2.294 1.00 0.00 C ATOM 419 C VAL A 154 -13.617 0.697 0.949 1.00 0.00 C ATOM 420 O VAL A 154 -14.575 1.382 0.591 1.00 0.00 O ATOM 421 CB VAL A 154 -13.305 2.344 2.801 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.790 2.431 3.111 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.476 2.704 4.024 1.00 0.00 C ATOM 0 H VAL A 154 -11.134 0.931 1.236 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.293 0.202 3.020 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.079 3.063 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.029 3.433 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.363 2.221 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.044 1.702 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.748 3.702 4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.667 1.983 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.418 2.686 3.764 1.00 0.00 H new ATOM 433 N GLY A 155 -13.106 -0.281 0.208 1.00 0.00 N ATOM 434 CA GLY A 155 -13.663 -0.600 -1.093 1.00 0.00 C ATOM 435 C GLY A 155 -12.661 -0.425 -2.220 1.00 0.00 C ATOM 436 O GLY A 155 -13.040 -0.361 -3.389 1.00 0.00 O ATOM 0 H GLY A 155 -12.314 -0.860 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.021 -1.630 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.528 0.037 -1.279 1.00 0.00 H new ATOM 440 N GLY A 156 -11.377 -0.352 -1.872 1.00 0.00 N ATOM 441 CA GLY A 156 -10.346 -0.190 -2.882 1.00 0.00 C ATOM 442 C GLY A 156 -9.327 0.874 -2.520 1.00 0.00 C ATOM 443 O GLY A 156 -9.235 1.905 -3.187 1.00 0.00 O ATOM 0 H GLY A 156 -11.035 -0.402 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.834 -1.141 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.813 0.069 -3.832 1.00 0.00 H new ATOM 447 N ARG A 157 -8.555 0.625 -1.466 1.00 0.00 N ATOM 448 CA ARG A 157 -7.534 1.571 -1.024 1.00 0.00 C ATOM 449 C ARG A 157 -6.325 0.837 -0.450 1.00 0.00 C ATOM 450 O ARG A 157 -6.467 -0.188 0.215 1.00 0.00 O ATOM 451 CB ARG A 157 -8.098 2.530 0.028 1.00 0.00 C ATOM 452 CG ARG A 157 -9.538 2.947 -0.223 1.00 0.00 C ATOM 453 CD ARG A 157 -9.834 4.313 0.374 1.00 0.00 C ATOM 454 NE ARG A 157 -11.163 4.795 0.009 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.597 6.030 0.251 1.00 0.00 C ATOM 456 NH1 ARG A 157 -10.810 6.910 0.857 1.00 0.00 N ATOM 457 NH2 ARG A 157 -12.821 6.386 -0.114 1.00 0.00 N ATOM 0 H ARG A 157 -8.617 -0.223 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.219 2.146 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.033 2.057 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.473 3.422 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.730 2.968 -1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.213 2.207 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.754 4.259 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -9.084 5.027 0.034 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.796 4.147 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.867 6.641 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.148 7.855 1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -13.430 5.714 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -13.154 7.332 0.071 1.00 0.00 H new ATOM 471 N LEU A 158 -5.136 1.373 -0.709 1.00 0.00 N ATOM 472 CA LEU A 158 -3.903 0.773 -0.215 1.00 0.00 C ATOM 473 C LEU A 158 -3.688 1.115 1.257 1.00 0.00 C ATOM 474 O LEU A 158 -3.543 2.284 1.616 1.00 0.00 O ATOM 475 CB LEU A 158 -2.707 1.260 -1.042 1.00 0.00 C ATOM 476 CG LEU A 158 -1.506 0.308 -1.092 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.254 -0.323 0.268 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.722 -0.766 -2.146 1.00 0.00 C ATOM 0 H LEU A 158 -5.001 2.222 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.988 -0.309 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.044 1.445 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.374 2.216 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.625 0.889 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.397 -0.994 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -1.050 0.459 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -2.134 -0.887 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.860 -1.433 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.618 -1.338 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.844 -0.298 -3.123 1.00 0.00 H new ATOM 490 N THR A 159 -3.667 0.091 2.106 1.00 0.00 N ATOM 491 CA THR A 159 -3.469 0.291 3.537 1.00 0.00 C ATOM 492 C THR A 159 -2.203 -0.414 4.016 1.00 0.00 C ATOM 493 O THR A 159 -1.650 -1.266 3.317 1.00 0.00 O ATOM 494 CB THR A 159 -4.680 -0.221 4.320 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.379 -1.204 3.577 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.666 0.871 4.677 1.00 0.00 C ATOM 0 H THR A 159 -3.784 -0.883 1.828 1.00 0.00 H new ATOM 0 HA THR A 159 -3.357 1.360 3.715 1.00 0.00 H new ATOM 0 HB THR A 159 -4.273 -0.638 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.737 -1.807 3.147 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.500 0.441 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.170 1.622 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.038 1.338 3.765 1.00 0.00 H new ATOM 504 N ARG A 160 -1.749 -0.057 5.215 1.00 0.00 N ATOM 505 CA ARG A 160 -0.549 -0.659 5.783 1.00 0.00 C ATOM 506 C ARG A 160 -0.681 -2.175 5.828 1.00 0.00 C ATOM 507 O ARG A 160 0.290 -2.902 5.622 1.00 0.00 O ATOM 508 CB ARG A 160 -0.294 -0.114 7.190 1.00 0.00 C ATOM 509 CG ARG A 160 0.252 1.305 7.201 1.00 0.00 C ATOM 510 CD ARG A 160 1.315 1.490 8.274 1.00 0.00 C ATOM 511 NE ARG A 160 0.857 2.361 9.354 1.00 0.00 N ATOM 512 CZ ARG A 160 0.742 3.682 9.241 1.00 0.00 C ATOM 513 NH1 ARG A 160 1.049 4.287 8.101 1.00 0.00 N ATOM 514 NH2 ARG A 160 0.317 4.400 10.273 1.00 0.00 N ATOM 0 H ARG A 160 -2.193 0.643 5.809 1.00 0.00 H new ATOM 0 HA ARG A 160 0.297 -0.401 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -1.225 -0.141 7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.410 -0.770 7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.676 1.540 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.564 2.008 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.589 0.518 8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 160 2.214 1.912 7.825 1.00 0.00 H new ATOM 0 HE ARG A 160 0.611 1.932 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.375 3.739 7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 160 0.959 5.300 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 160 0.079 3.939 11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 160 0.228 5.413 10.188 1.00 0.00 H new ATOM 528 N GLU A 161 -1.898 -2.646 6.077 1.00 0.00 N ATOM 529 CA GLU A 161 -2.160 -4.076 6.125 1.00 0.00 C ATOM 530 C GLU A 161 -1.904 -4.699 4.759 1.00 0.00 C ATOM 531 O GLU A 161 -1.389 -5.813 4.656 1.00 0.00 O ATOM 532 CB GLU A 161 -3.602 -4.341 6.562 1.00 0.00 C ATOM 533 CG GLU A 161 -3.810 -5.722 7.165 1.00 0.00 C ATOM 534 CD GLU A 161 -3.951 -5.684 8.675 1.00 0.00 C ATOM 535 OE1 GLU A 161 -2.925 -5.496 9.361 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.087 -5.841 9.169 1.00 0.00 O ATOM 0 H GLU A 161 -2.715 -2.059 6.248 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.488 -4.529 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.896 -3.587 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.261 -4.226 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.703 -6.173 6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.968 -6.361 6.898 1.00 0.00 H new ATOM 543 N ASP A 162 -2.255 -3.961 3.708 1.00 0.00 N ATOM 544 CA ASP A 162 -2.053 -4.432 2.346 1.00 0.00 C ATOM 545 C ASP A 162 -0.567 -4.582 2.058 1.00 0.00 C ATOM 546 O ASP A 162 -0.112 -5.635 1.611 1.00 0.00 O ATOM 547 CB ASP A 162 -2.685 -3.465 1.346 1.00 0.00 C ATOM 548 CG ASP A 162 -4.194 -3.596 1.293 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.684 -4.686 0.931 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.886 -2.608 1.615 1.00 0.00 O ATOM 0 H ASP A 162 -2.680 -3.036 3.777 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.534 -5.404 2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.421 -2.443 1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.272 -3.650 0.355 1.00 0.00 H new ATOM 555 N VAL A 163 0.190 -3.525 2.336 1.00 0.00 N ATOM 556 CA VAL A 163 1.630 -3.547 2.122 1.00 0.00 C ATOM 557 C VAL A 163 2.266 -4.671 2.936 1.00 0.00 C ATOM 558 O VAL A 163 3.275 -5.249 2.534 1.00 0.00 O ATOM 559 CB VAL A 163 2.283 -2.204 2.506 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.781 -2.237 2.238 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.628 -1.059 1.750 1.00 0.00 C ATOM 0 H VAL A 163 -0.170 -2.646 2.709 1.00 0.00 H new ATOM 0 HA VAL A 163 1.800 -3.718 1.059 1.00 0.00 H new ATOM 0 HB VAL A 163 2.133 -2.042 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.222 -1.280 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.239 -3.032 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.957 -2.423 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.101 -0.119 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.746 -1.216 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.567 -1.020 1.996 1.00 0.00 H new ATOM 571 N GLU A 164 1.656 -4.979 4.078 1.00 0.00 N ATOM 572 CA GLU A 164 2.152 -6.041 4.943 1.00 0.00 C ATOM 573 C GLU A 164 2.026 -7.392 4.249 1.00 0.00 C ATOM 574 O GLU A 164 2.978 -8.172 4.210 1.00 0.00 O ATOM 575 CB GLU A 164 1.380 -6.056 6.264 1.00 0.00 C ATOM 576 CG GLU A 164 2.012 -5.199 7.348 1.00 0.00 C ATOM 577 CD GLU A 164 3.179 -5.887 8.028 1.00 0.00 C ATOM 578 OE1 GLU A 164 4.159 -6.225 7.330 1.00 0.00 O ATOM 579 OE2 GLU A 164 3.114 -6.090 9.259 1.00 0.00 O ATOM 0 H GLU A 164 0.820 -4.508 4.423 1.00 0.00 H new ATOM 0 HA GLU A 164 3.204 -5.851 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.363 -5.708 6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.307 -7.083 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.353 -4.260 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.258 -4.948 8.094 1.00 0.00 H new ATOM 586 N LYS A 165 0.848 -7.661 3.690 1.00 0.00 N ATOM 587 CA LYS A 165 0.609 -8.916 2.986 1.00 0.00 C ATOM 588 C LYS A 165 1.583 -9.065 1.822 1.00 0.00 C ATOM 589 O LYS A 165 2.179 -10.124 1.629 1.00 0.00 O ATOM 590 CB LYS A 165 -0.832 -8.979 2.471 1.00 0.00 C ATOM 591 CG LYS A 165 -1.880 -8.836 3.564 1.00 0.00 C ATOM 592 CD LYS A 165 -1.712 -9.892 4.645 1.00 0.00 C ATOM 593 CE LYS A 165 -2.132 -11.268 4.152 1.00 0.00 C ATOM 594 NZ LYS A 165 -3.513 -11.616 4.585 1.00 0.00 N ATOM 0 H LYS A 165 0.048 -7.029 3.711 1.00 0.00 H new ATOM 0 HA LYS A 165 0.766 -9.736 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.979 -8.190 1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.983 -9.928 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.808 -7.844 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.875 -8.918 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.671 -9.922 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.307 -9.620 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.075 -11.297 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -1.434 -12.017 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.761 -12.561 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -3.562 -11.614 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -4.182 -10.916 4.205 1.00 0.00 H new ATOM 608 N TRP A 166 1.745 -7.991 1.056 1.00 0.00 N ATOM 609 CA TRP A 166 2.656 -7.994 -0.083 1.00 0.00 C ATOM 610 C TRP A 166 4.093 -8.188 0.391 1.00 0.00 C ATOM 611 O TRP A 166 4.848 -8.975 -0.181 1.00 0.00 O ATOM 612 CB TRP A 166 2.532 -6.680 -0.863 1.00 0.00 C ATOM 613 CG TRP A 166 3.566 -6.520 -1.938 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.411 -6.759 -3.273 1.00 0.00 C ATOM 615 CD2 TRP A 166 4.918 -6.086 -1.763 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.590 -6.507 -3.937 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.528 -6.094 -3.031 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.670 -5.694 -0.657 1.00 0.00 C ATOM 619 CZ2 TRP A 166 6.857 -5.727 -3.220 1.00 0.00 C ATOM 620 CZ3 TRP A 166 6.990 -5.328 -0.844 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.572 -5.348 -2.116 1.00 0.00 C ATOM 0 H TRP A 166 1.257 -7.107 1.203 1.00 0.00 H new ATOM 0 HA TRP A 166 2.389 -8.821 -0.741 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.541 -6.627 -1.313 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.611 -5.845 -0.167 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.497 -7.096 -3.740 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.740 -6.611 -4.941 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.229 -5.676 0.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.308 -5.741 -4.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.582 -5.022 0.006 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.606 -5.059 -2.229 1.00 0.00 H new ATOM 632 N LEU A 167 4.461 -7.462 1.442 1.00 0.00 N ATOM 633 CA LEU A 167 5.806 -7.544 2.001 1.00 0.00 C ATOM 634 C LEU A 167 6.140 -8.977 2.408 1.00 0.00 C ATOM 635 O LEU A 167 7.286 -9.412 2.297 1.00 0.00 O ATOM 636 CB LEU A 167 5.935 -6.616 3.211 1.00 0.00 C ATOM 637 CG LEU A 167 6.254 -5.157 2.878 1.00 0.00 C ATOM 638 CD1 LEU A 167 5.938 -4.254 4.060 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.713 -5.011 2.470 1.00 0.00 C ATOM 0 H LEU A 167 3.845 -6.808 1.925 1.00 0.00 H new ATOM 0 HA LEU A 167 6.512 -7.229 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.003 -6.648 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 167 6.717 -7.003 3.864 1.00 0.00 H new ATOM 0 HG LEU A 167 5.628 -4.853 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.172 -3.221 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 167 4.879 -4.335 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.536 -4.557 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.923 -3.967 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.354 -5.336 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 167 7.908 -5.626 1.591 1.00 0.00 H new ATOM 651 N ALA A 168 5.131 -9.702 2.877 1.00 0.00 N ATOM 652 CA ALA A 168 5.317 -11.084 3.298 1.00 0.00 C ATOM 653 C ALA A 168 5.475 -12.009 2.095 1.00 0.00 C ATOM 654 O ALA A 168 6.171 -13.022 2.164 1.00 0.00 O ATOM 655 CB ALA A 168 4.148 -11.535 4.161 1.00 0.00 C ATOM 0 H ALA A 168 4.177 -9.355 2.975 1.00 0.00 H new ATOM 0 HA ALA A 168 6.232 -11.137 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.300 -12.570 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.082 -10.900 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.223 -11.459 3.589 1.00 0.00 H new ATOM 661 N LYS A 169 4.825 -11.651 0.993 1.00 0.00 N ATOM 662 CA LYS A 169 4.894 -12.448 -0.228 1.00 0.00 C ATOM 663 C LYS A 169 5.734 -11.744 -1.289 1.00 0.00 C ATOM 664 O LYS A 169 5.463 -11.858 -2.485 1.00 0.00 O ATOM 665 CB LYS A 169 3.488 -12.713 -0.768 1.00 0.00 C ATOM 666 CG LYS A 169 2.814 -13.923 -0.142 1.00 0.00 C ATOM 667 CD LYS A 169 2.521 -13.697 1.334 1.00 0.00 C ATOM 668 CE LYS A 169 1.251 -14.412 1.769 1.00 0.00 C ATOM 669 NZ LYS A 169 1.524 -15.451 2.798 1.00 0.00 N ATOM 0 H LYS A 169 4.245 -10.815 0.919 1.00 0.00 H new ATOM 0 HA LYS A 169 5.368 -13.399 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.869 -11.833 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.543 -12.856 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 169 1.885 -14.137 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.454 -14.798 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 169 3.361 -14.052 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.422 -12.629 1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 169 0.543 -13.685 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.780 -14.875 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 0.633 -15.915 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 2.180 -16.159 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 1.950 -15.006 3.636 1.00 0.00 H new ATOM 683 N ALA A 170 6.753 -11.017 -0.843 1.00 0.00 N ATOM 684 CA ALA A 170 7.633 -10.296 -1.754 1.00 0.00 C ATOM 685 C ALA A 170 8.791 -9.649 -1.003 1.00 0.00 C ATOM 686 O ALA A 170 8.998 -9.999 0.177 1.00 0.00 O ATOM 687 CB ALA A 170 6.846 -9.246 -2.523 1.00 0.00 C ATOM 688 OXT ALA A 170 9.480 -8.796 -1.601 1.00 0.00 O ATOM 0 H ALA A 170 6.989 -10.912 0.144 1.00 0.00 H new ATOM 0 HA ALA A 170 8.051 -11.012 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.514 -8.714 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.057 -9.731 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 170 6.401 -8.539 -1.822 1.00 0.00 H new