USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 351 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 126 GLN : amide:sc= -0.614 K(o=-0.61,f=-4!) USER MOD Single : A 127 ASN : amide:sc=-0.00519 K(o=-0.0052,f=-1.7!) USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 132 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 142 HIS : no HE2:sc= -7.26! C(o=-7.3!,f=-9.6!) USER MOD Single : A 143 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.039) 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 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 36:sc= 0.317 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 1 N GLN A 126 -10.287 7.950 -10.852 1.00 0.00 N ATOM 2 CA GLN A 126 -11.554 7.759 -10.100 1.00 0.00 C ATOM 3 C GLN A 126 -11.765 8.877 -9.083 1.00 0.00 C ATOM 4 O GLN A 126 -10.840 9.624 -8.766 1.00 0.00 O ATOM 5 CB GLN A 126 -11.502 6.404 -9.393 1.00 0.00 C ATOM 6 CG GLN A 126 -11.858 5.233 -10.293 1.00 0.00 C ATOM 7 CD GLN A 126 -13.346 5.147 -10.574 1.00 0.00 C ATOM 8 OE1 GLN A 126 -13.959 6.109 -11.036 1.00 0.00 O ATOM 9 NE2 GLN A 126 -13.935 3.990 -10.294 1.00 0.00 N ATOM 0 HA GLN A 126 -12.392 7.787 -10.797 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -10.500 6.251 -8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -12.186 6.420 -8.544 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -11.318 5.326 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -11.526 4.306 -9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -13.388 3.219 -9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -14.934 3.873 -10.461 1.00 0.00 H new ATOM 20 N ASN A 127 -12.988 8.983 -8.574 1.00 0.00 N ATOM 21 CA ASN A 127 -13.322 10.008 -7.592 1.00 0.00 C ATOM 22 C ASN A 127 -12.675 9.703 -6.245 1.00 0.00 C ATOM 23 O ASN A 127 -12.328 10.612 -5.491 1.00 0.00 O ATOM 24 CB ASN A 127 -14.839 10.115 -7.430 1.00 0.00 C ATOM 25 CG ASN A 127 -15.260 11.415 -6.774 1.00 0.00 C ATOM 26 OD1 ASN A 127 -14.453 12.331 -6.610 1.00 0.00 O ATOM 27 ND2 ASN A 127 -16.529 11.501 -6.392 1.00 0.00 N ATOM 0 H ASN A 127 -13.765 8.371 -8.825 1.00 0.00 H new ATOM 0 HA ASN A 127 -12.935 10.961 -7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -15.313 10.035 -8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -15.198 9.277 -6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -16.870 12.351 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -17.163 10.717 -6.548 1.00 0.00 H new ATOM 34 N ASN A 128 -12.516 8.417 -5.948 1.00 0.00 N ATOM 35 CA ASN A 128 -11.911 7.992 -4.691 1.00 0.00 C ATOM 36 C ASN A 128 -10.465 7.557 -4.902 1.00 0.00 C ATOM 37 O ASN A 128 -10.166 6.782 -5.811 1.00 0.00 O ATOM 38 CB ASN A 128 -12.718 6.847 -4.076 1.00 0.00 C ATOM 39 CG ASN A 128 -14.102 7.283 -3.639 1.00 0.00 C ATOM 40 OD1 ASN A 128 -14.305 8.429 -3.236 1.00 0.00 O ATOM 41 ND2 ASN A 128 -15.063 6.370 -3.717 1.00 0.00 N ATOM 0 H ASN A 128 -12.798 7.652 -6.561 1.00 0.00 H new ATOM 0 HA ASN A 128 -11.918 8.841 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -12.807 6.039 -4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -12.179 6.446 -3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -16.015 6.606 -3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -14.849 5.432 -4.057 1.00 0.00 H new ATOM 48 N ASP A 129 -9.571 8.059 -4.056 1.00 0.00 N ATOM 49 CA ASP A 129 -8.156 7.721 -4.150 1.00 0.00 C ATOM 50 C ASP A 129 -7.903 6.295 -3.671 1.00 0.00 C ATOM 51 O ASP A 129 -8.773 5.672 -3.062 1.00 0.00 O ATOM 52 CB ASP A 129 -7.320 8.704 -3.328 1.00 0.00 C ATOM 53 CG ASP A 129 -7.171 10.049 -4.011 1.00 0.00 C ATOM 54 OD1 ASP A 129 -8.205 10.647 -4.376 1.00 0.00 O ATOM 55 OD2 ASP A 129 -6.021 10.504 -4.181 1.00 0.00 O ATOM 0 H ASP A 129 -9.802 8.701 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.861 7.790 -5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.785 8.845 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.332 8.278 -3.152 1.00 0.00 H new ATOM 60 N ALA A 130 -6.709 5.784 -3.951 1.00 0.00 N ATOM 61 CA ALA A 130 -6.344 4.431 -3.549 1.00 0.00 C ATOM 62 C ALA A 130 -5.181 4.443 -2.562 1.00 0.00 C ATOM 63 O ALA A 130 -5.125 3.627 -1.643 1.00 0.00 O ATOM 64 CB ALA A 130 -5.992 3.595 -4.771 1.00 0.00 C ATOM 0 H ALA A 130 -5.978 6.286 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.204 3.984 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.721 2.587 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.852 3.548 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.151 4.050 -5.293 1.00 0.00 H new ATOM 70 N LEU A 131 -4.254 5.374 -2.760 1.00 0.00 N ATOM 71 CA LEU A 131 -3.091 5.492 -1.889 1.00 0.00 C ATOM 72 C LEU A 131 -3.369 6.446 -0.731 1.00 0.00 C ATOM 73 O LEU A 131 -4.362 7.173 -0.738 1.00 0.00 O ATOM 74 CB LEU A 131 -1.880 5.982 -2.687 1.00 0.00 C ATOM 75 CG LEU A 131 -1.066 4.881 -3.371 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.444 3.956 -2.336 1.00 0.00 C ATOM 77 CD2 LEU A 131 -1.941 4.094 -4.335 1.00 0.00 C ATOM 0 H LEU A 131 -4.286 6.058 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.875 4.506 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.225 6.683 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.222 6.536 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.262 5.349 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.131 3.180 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.215 4.530 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.232 3.495 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.347 3.315 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.765 3.637 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.339 4.765 -5.096 1.00 0.00 H new ATOM 89 N SER A 132 -2.486 6.436 0.262 1.00 0.00 N ATOM 90 CA SER A 132 -2.634 7.301 1.428 1.00 0.00 C ATOM 91 C SER A 132 -1.400 8.179 1.613 1.00 0.00 C ATOM 92 O SER A 132 -0.319 7.858 1.120 1.00 0.00 O ATOM 93 CB SER A 132 -2.871 6.461 2.684 1.00 0.00 C ATOM 94 OG SER A 132 -4.117 5.790 2.622 1.00 0.00 O ATOM 0 H SER A 132 -1.660 5.838 0.283 1.00 0.00 H new ATOM 0 HA SER A 132 -3.496 7.948 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.068 5.733 2.795 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.844 7.103 3.565 1.00 0.00 H new ATOM 0 HG SER A 132 -4.243 5.259 3.436 1.00 0.00 H new ATOM 100 N PRO A 133 -1.545 9.307 2.330 1.00 0.00 N ATOM 101 CA PRO A 133 -0.434 10.234 2.577 1.00 0.00 C ATOM 102 C PRO A 133 0.753 9.551 3.248 1.00 0.00 C ATOM 103 O PRO A 133 1.874 9.591 2.740 1.00 0.00 O ATOM 104 CB PRO A 133 -1.040 11.287 3.510 1.00 0.00 C ATOM 105 CG PRO A 133 -2.509 11.208 3.274 1.00 0.00 C ATOM 106 CD PRO A 133 -2.797 9.769 2.953 1.00 0.00 C ATOM 0 HA PRO A 133 -0.040 10.647 1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.795 11.079 4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.657 12.282 3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.064 11.530 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.808 11.859 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.036 9.196 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.645 9.669 2.275 1.00 0.00 H new ATOM 114 N ALA A 134 0.502 8.928 4.394 1.00 0.00 N ATOM 115 CA ALA A 134 1.548 8.238 5.135 1.00 0.00 C ATOM 116 C ALA A 134 2.033 7.003 4.384 1.00 0.00 C ATOM 117 O ALA A 134 3.239 6.786 4.227 1.00 0.00 O ATOM 118 CB ALA A 134 1.046 7.853 6.519 1.00 0.00 C ATOM 0 H ALA A 134 -0.419 8.887 4.830 1.00 0.00 H new ATOM 0 HA ALA A 134 2.392 8.919 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.838 7.338 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.757 8.752 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.183 7.194 6.423 1.00 0.00 H new ATOM 124 N ILE A 135 1.091 6.190 3.917 1.00 0.00 N ATOM 125 CA ILE A 135 1.438 4.984 3.186 1.00 0.00 C ATOM 126 C ILE A 135 2.302 5.310 1.979 1.00 0.00 C ATOM 127 O ILE A 135 3.295 4.639 1.730 1.00 0.00 O ATOM 128 CB ILE A 135 0.196 4.207 2.714 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.673 3.822 3.914 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.615 2.966 1.931 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.989 3.182 3.527 1.00 0.00 C ATOM 0 H ILE A 135 0.090 6.345 4.032 1.00 0.00 H new ATOM 0 HA ILE A 135 1.994 4.355 3.882 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.391 4.846 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.116 3.133 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.873 4.713 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.273 2.426 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.200 3.265 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.218 2.320 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.552 2.936 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.566 3.877 2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.798 2.272 2.958 1.00 0.00 H new ATOM 143 N ARG A 136 1.928 6.344 1.232 1.00 0.00 N ATOM 144 CA ARG A 136 2.696 6.735 0.057 1.00 0.00 C ATOM 145 C ARG A 136 4.170 6.851 0.414 1.00 0.00 C ATOM 146 O ARG A 136 5.045 6.492 -0.374 1.00 0.00 O ATOM 147 CB ARG A 136 2.181 8.059 -0.512 1.00 0.00 C ATOM 148 CG ARG A 136 1.065 7.889 -1.532 1.00 0.00 C ATOM 149 CD ARG A 136 0.718 9.206 -2.205 1.00 0.00 C ATOM 150 NE ARG A 136 -0.724 9.371 -2.374 1.00 0.00 N ATOM 151 CZ ARG A 136 -1.278 10.232 -3.225 1.00 0.00 C ATOM 152 NH1 ARG A 136 -0.516 11.008 -3.985 1.00 0.00 N ATOM 153 NH2 ARG A 136 -2.598 10.316 -3.315 1.00 0.00 N ATOM 0 H ARG A 136 1.107 6.920 1.417 1.00 0.00 H new ATOM 0 HA ARG A 136 2.576 5.967 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.822 8.682 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.010 8.592 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.368 7.163 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.180 7.487 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.110 10.031 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.205 9.255 -3.179 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.343 8.792 -1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.500 10.947 -3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.946 11.666 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.188 9.721 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.024 10.975 -3.967 1.00 0.00 H new ATOM 167 N ARG A 137 4.434 7.319 1.628 1.00 0.00 N ATOM 168 CA ARG A 137 5.797 7.441 2.109 1.00 0.00 C ATOM 169 C ARG A 137 6.361 6.050 2.356 1.00 0.00 C ATOM 170 O ARG A 137 7.510 5.761 2.023 1.00 0.00 O ATOM 171 CB ARG A 137 5.841 8.263 3.397 1.00 0.00 C ATOM 172 CG ARG A 137 5.300 9.675 3.239 1.00 0.00 C ATOM 173 CD ARG A 137 4.907 10.276 4.579 1.00 0.00 C ATOM 174 NE ARG A 137 5.241 11.696 4.663 1.00 0.00 N ATOM 175 CZ ARG A 137 4.700 12.534 5.545 1.00 0.00 C ATOM 176 NH1 ARG A 137 3.800 12.100 6.419 1.00 0.00 N ATOM 177 NH2 ARG A 137 5.060 13.810 5.552 1.00 0.00 N ATOM 0 H ARG A 137 3.721 7.619 2.293 1.00 0.00 H new ATOM 0 HA ARG A 137 6.399 7.954 1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.267 7.747 4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 137 6.871 8.315 3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 137 6.054 10.303 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.434 9.662 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 137 3.836 10.146 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.413 9.737 5.380 1.00 0.00 H new ATOM 0 HE ARG A 137 5.929 12.067 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 137 3.519 11.119 6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 137 3.389 12.747 7.092 1.00 0.00 H new ATOM 0 HH21 ARG A 137 5.751 14.149 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 137 4.646 14.453 6.227 1.00 0.00 H new ATOM 191 N LEU A 138 5.528 5.188 2.935 1.00 0.00 N ATOM 192 CA LEU A 138 5.928 3.815 3.219 1.00 0.00 C ATOM 193 C LEU A 138 6.265 3.068 1.930 1.00 0.00 C ATOM 194 O LEU A 138 7.348 2.497 1.800 1.00 0.00 O ATOM 195 CB LEU A 138 4.820 3.075 3.969 1.00 0.00 C ATOM 196 CG LEU A 138 5.149 1.626 4.330 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.327 1.573 5.291 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.938 0.934 4.933 1.00 0.00 C ATOM 0 H LEU A 138 4.574 5.417 3.215 1.00 0.00 H new ATOM 0 HA LEU A 138 6.819 3.851 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.593 3.621 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.917 3.087 3.359 1.00 0.00 H new ATOM 0 HG LEU A 138 5.423 1.099 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.549 0.535 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.199 2.029 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.078 2.118 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.194 -0.096 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.630 1.461 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.120 0.940 4.213 1.00 0.00 H new ATOM 210 N LEU A 139 5.338 3.082 0.972 1.00 0.00 N ATOM 211 CA LEU A 139 5.552 2.411 -0.304 1.00 0.00 C ATOM 212 C LEU A 139 6.783 2.983 -0.983 1.00 0.00 C ATOM 213 O LEU A 139 7.555 2.261 -1.616 1.00 0.00 O ATOM 214 CB LEU A 139 4.326 2.575 -1.207 1.00 0.00 C ATOM 215 CG LEU A 139 3.286 1.458 -1.095 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.880 2.022 -1.232 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.540 0.388 -2.147 1.00 0.00 C ATOM 0 H LEU A 139 4.436 3.550 1.058 1.00 0.00 H new ATOM 0 HA LEU A 139 5.706 1.347 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.844 3.524 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.662 2.636 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 139 3.376 1.000 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.154 1.213 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.702 2.751 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.775 2.506 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.792 -0.399 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.477 0.832 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.533 -0.037 -2.002 1.00 0.00 H new ATOM 229 N ALA A 140 6.966 4.288 -0.828 1.00 0.00 N ATOM 230 CA ALA A 140 8.114 4.970 -1.406 1.00 0.00 C ATOM 231 C ALA A 140 9.403 4.477 -0.758 1.00 0.00 C ATOM 232 O ALA A 140 10.452 4.416 -1.400 1.00 0.00 O ATOM 233 CB ALA A 140 7.975 6.475 -1.242 1.00 0.00 C ATOM 0 H ALA A 140 6.333 4.895 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 140 8.154 4.743 -2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.842 6.970 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.070 6.814 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.913 6.721 -0.182 1.00 0.00 H new ATOM 239 N GLU A 141 9.313 4.123 0.523 1.00 0.00 N ATOM 240 CA GLU A 141 10.463 3.630 1.266 1.00 0.00 C ATOM 241 C GLU A 141 10.821 2.214 0.834 1.00 0.00 C ATOM 242 O GLU A 141 11.980 1.914 0.545 1.00 0.00 O ATOM 243 CB GLU A 141 10.173 3.654 2.768 1.00 0.00 C ATOM 244 CG GLU A 141 10.060 5.056 3.346 1.00 0.00 C ATOM 245 CD GLU A 141 10.901 5.245 4.593 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.096 4.882 4.562 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.367 5.754 5.600 1.00 0.00 O ATOM 0 H GLU A 141 8.451 4.170 1.066 1.00 0.00 H new ATOM 0 HA GLU A 141 11.309 4.283 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.244 3.116 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.965 3.118 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.367 5.781 2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.016 5.264 3.582 1.00 0.00 H new ATOM 254 N HIS A 142 9.815 1.351 0.789 1.00 0.00 N ATOM 255 CA HIS A 142 10.013 -0.038 0.388 1.00 0.00 C ATOM 256 C HIS A 142 10.352 -0.138 -1.097 1.00 0.00 C ATOM 257 O HIS A 142 10.822 -1.175 -1.566 1.00 0.00 O ATOM 258 CB HIS A 142 8.759 -0.862 0.690 1.00 0.00 C ATOM 259 CG HIS A 142 8.503 -1.059 2.153 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.988 -2.138 2.865 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.805 -0.311 3.041 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.597 -2.044 4.124 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.880 -0.945 4.256 1.00 0.00 N ATOM 0 H HIS A 142 8.851 1.588 1.025 1.00 0.00 H new ATOM 0 HA HIS A 142 10.851 -0.436 0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.896 -0.370 0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.853 -1.837 0.212 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.559 -2.890 2.480 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.286 0.613 2.832 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.826 -2.748 4.911 1.00 0.00 H new ATOM 272 N ASN A 143 10.112 0.945 -1.835 1.00 0.00 N ATOM 273 CA ASN A 143 10.391 0.974 -3.267 1.00 0.00 C ATOM 274 C ASN A 143 9.458 0.029 -4.019 1.00 0.00 C ATOM 275 O ASN A 143 9.880 -0.689 -4.925 1.00 0.00 O ATOM 276 CB ASN A 143 11.853 0.599 -3.535 1.00 0.00 C ATOM 277 CG ASN A 143 12.559 1.619 -4.407 1.00 0.00 C ATOM 278 OD1 ASN A 143 13.172 1.272 -5.416 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.476 2.887 -4.019 1.00 0.00 N ATOM 0 H ASN A 143 9.725 1.813 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 143 10.218 1.988 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.382 0.507 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.893 -0.378 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.931 3.618 -4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.957 3.129 -3.175 1.00 0.00 H new ATOM 286 N LEU A 144 8.186 0.038 -3.635 1.00 0.00 N ATOM 287 CA LEU A 144 7.189 -0.815 -4.270 1.00 0.00 C ATOM 288 C LEU A 144 6.279 -0.005 -5.185 1.00 0.00 C ATOM 289 O LEU A 144 6.421 1.212 -5.303 1.00 0.00 O ATOM 290 CB LEU A 144 6.351 -1.538 -3.215 1.00 0.00 C ATOM 291 CG LEU A 144 7.124 -2.004 -1.983 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.171 -2.534 -0.923 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.146 -3.065 -2.364 1.00 0.00 C ATOM 0 H LEU A 144 7.821 0.627 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 144 7.718 -1.554 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.549 -0.874 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.880 -2.405 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 144 7.657 -1.149 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.740 -2.861 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.479 -1.745 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.609 -3.376 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.687 -3.385 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.635 -3.921 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.849 -2.650 -3.086 1.00 0.00 H new ATOM 305 N ASP A 145 5.344 -0.692 -5.828 1.00 0.00 N ATOM 306 CA ASP A 145 4.404 -0.045 -6.734 1.00 0.00 C ATOM 307 C ASP A 145 2.965 -0.352 -6.335 1.00 0.00 C ATOM 308 O ASP A 145 2.580 -1.515 -6.209 1.00 0.00 O ATOM 309 CB ASP A 145 4.654 -0.502 -8.174 1.00 0.00 C ATOM 310 CG ASP A 145 4.369 0.592 -9.184 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.177 0.865 -9.443 1.00 0.00 O ATOM 312 OD2 ASP A 145 5.336 1.174 -9.720 1.00 0.00 O ATOM 0 H ASP A 145 5.216 -1.700 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 145 4.559 1.032 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.690 -0.826 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.027 -1.367 -8.392 1.00 0.00 H new ATOM 317 N ALA A 146 2.173 0.696 -6.136 1.00 0.00 N ATOM 318 CA ALA A 146 0.776 0.538 -5.751 1.00 0.00 C ATOM 319 C ALA A 146 0.015 -0.299 -6.773 1.00 0.00 C ATOM 320 O ALA A 146 -0.798 -1.149 -6.414 1.00 0.00 O ATOM 321 CB ALA A 146 0.117 1.900 -5.585 1.00 0.00 C ATOM 0 H ALA A 146 2.475 1.665 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 146 0.746 0.013 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.926 1.767 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.638 2.464 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.167 2.446 -6.527 1.00 0.00 H new ATOM 327 N SER A 147 0.286 -0.052 -8.051 1.00 0.00 N ATOM 328 CA SER A 147 -0.373 -0.783 -9.127 1.00 0.00 C ATOM 329 C SER A 147 -0.082 -2.279 -9.033 1.00 0.00 C ATOM 330 O SER A 147 -0.827 -3.099 -9.568 1.00 0.00 O ATOM 331 CB SER A 147 0.083 -0.248 -10.486 1.00 0.00 C ATOM 332 OG SER A 147 -0.847 -0.580 -11.502 1.00 0.00 O ATOM 0 H SER A 147 0.957 0.648 -8.366 1.00 0.00 H new ATOM 0 HA SER A 147 -1.448 -0.636 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.199 0.835 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.061 -0.662 -10.734 1.00 0.00 H new ATOM 0 HG SER A 147 -0.534 -0.226 -12.360 1.00 0.00 H new ATOM 338 N ALA A 148 1.005 -2.630 -8.350 1.00 0.00 N ATOM 339 CA ALA A 148 1.387 -4.027 -8.190 1.00 0.00 C ATOM 340 C ALA A 148 0.744 -4.638 -6.949 1.00 0.00 C ATOM 341 O ALA A 148 0.629 -5.859 -6.836 1.00 0.00 O ATOM 342 CB ALA A 148 2.902 -4.153 -8.116 1.00 0.00 C ATOM 0 H ALA A 148 1.635 -1.966 -7.900 1.00 0.00 H new ATOM 0 HA ALA A 148 1.027 -4.577 -9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.174 -5.202 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.345 -3.765 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.273 -3.582 -7.265 1.00 0.00 H new ATOM 348 N ILE A 149 0.327 -3.785 -6.018 1.00 0.00 N ATOM 349 CA ILE A 149 -0.300 -4.245 -4.785 1.00 0.00 C ATOM 350 C ILE A 149 -1.777 -3.866 -4.746 1.00 0.00 C ATOM 351 O ILE A 149 -2.212 -2.947 -5.438 1.00 0.00 O ATOM 352 CB ILE A 149 0.400 -3.660 -3.542 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.915 -3.611 -3.752 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.057 -4.480 -2.307 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.657 -2.909 -2.636 1.00 0.00 C ATOM 0 H ILE A 149 0.412 -2.771 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.203 -5.331 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 149 0.043 -2.641 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.294 -4.629 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.127 -3.104 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.558 -4.055 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.021 -4.464 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.388 -5.509 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.726 -2.912 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.306 -1.880 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.475 -3.428 -1.695 1.00 0.00 H new ATOM 367 N LYS A 150 -2.544 -4.581 -3.928 1.00 0.00 N ATOM 368 CA LYS A 150 -3.973 -4.320 -3.797 1.00 0.00 C ATOM 369 C LYS A 150 -4.384 -4.287 -2.327 1.00 0.00 C ATOM 370 O LYS A 150 -3.573 -4.556 -1.441 1.00 0.00 O ATOM 371 CB LYS A 150 -4.778 -5.385 -4.546 1.00 0.00 C ATOM 372 CG LYS A 150 -5.344 -4.897 -5.870 1.00 0.00 C ATOM 373 CD LYS A 150 -5.233 -5.961 -6.952 1.00 0.00 C ATOM 374 CE LYS A 150 -5.972 -5.549 -8.214 1.00 0.00 C ATOM 375 NZ LYS A 150 -5.819 -6.556 -9.301 1.00 0.00 N ATOM 0 H LYS A 150 -2.200 -5.345 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.184 -3.345 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.140 -6.249 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.598 -5.723 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.390 -4.618 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.812 -4.000 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -4.183 -6.137 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.639 -6.902 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -7.030 -5.416 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.596 -4.585 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.338 -6.238 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.811 -6.664 -9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -6.201 -7.470 -8.984 1.00 0.00 H new ATOM 389 N GLY A 151 -5.647 -3.955 -2.077 1.00 0.00 N ATOM 390 CA GLY A 151 -6.137 -3.893 -0.713 1.00 0.00 C ATOM 391 C GLY A 151 -7.650 -3.843 -0.638 1.00 0.00 C ATOM 392 O GLY A 151 -8.338 -4.143 -1.614 1.00 0.00 O ATOM 0 H GLY A 151 -6.338 -3.729 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.778 -4.763 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.723 -3.012 -0.222 1.00 0.00 H new ATOM 396 N THR A 152 -8.170 -3.465 0.526 1.00 0.00 N ATOM 397 CA THR A 152 -9.611 -3.378 0.730 1.00 0.00 C ATOM 398 C THR A 152 -9.957 -2.266 1.716 1.00 0.00 C ATOM 399 O THR A 152 -10.774 -2.452 2.617 1.00 0.00 O ATOM 400 CB THR A 152 -10.157 -4.715 1.235 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.236 -5.330 2.119 1.00 0.00 O ATOM 402 CG2 THR A 152 -10.451 -5.700 0.123 1.00 0.00 C ATOM 0 H THR A 152 -7.613 -3.214 1.343 1.00 0.00 H new ATOM 0 HA THR A 152 -10.075 -3.143 -0.228 1.00 0.00 H new ATOM 0 HB THR A 152 -11.091 -4.473 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.603 -6.183 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 152 -10.835 -6.627 0.550 1.00 0.00 H new ATOM 0 HG22 THR A 152 -11.195 -5.276 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 152 -9.535 -5.908 -0.431 1.00 0.00 H new ATOM 410 N GLY A 153 -9.327 -1.109 1.537 1.00 0.00 N ATOM 411 CA GLY A 153 -9.575 0.019 2.416 1.00 0.00 C ATOM 412 C GLY A 153 -11.018 0.488 2.368 1.00 0.00 C ATOM 413 O GLY A 153 -11.936 -0.270 2.678 1.00 0.00 O ATOM 0 H GLY A 153 -8.648 -0.933 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.321 -0.259 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.919 0.844 2.137 1.00 0.00 H new ATOM 417 N VAL A 154 -11.216 1.744 1.981 1.00 0.00 N ATOM 418 CA VAL A 154 -12.556 2.315 1.897 1.00 0.00 C ATOM 419 C VAL A 154 -13.147 2.130 0.503 1.00 0.00 C ATOM 420 O VAL A 154 -13.648 3.079 -0.103 1.00 0.00 O ATOM 421 CB VAL A 154 -12.548 3.815 2.249 1.00 0.00 C ATOM 422 CG1 VAL A 154 -13.969 4.345 2.369 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.772 4.059 3.533 1.00 0.00 C ATOM 0 H VAL A 154 -10.467 2.385 1.721 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.174 1.784 2.621 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.051 4.354 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -13.942 5.406 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.490 4.208 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.495 3.801 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.778 5.124 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.237 3.507 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.744 3.721 3.406 1.00 0.00 H new ATOM 433 N GLY A 155 -13.091 0.901 -0.001 1.00 0.00 N ATOM 434 CA GLY A 155 -13.626 0.614 -1.320 1.00 0.00 C ATOM 435 C GLY A 155 -12.540 0.377 -2.351 1.00 0.00 C ATOM 436 O GLY A 155 -12.635 0.854 -3.482 1.00 0.00 O ATOM 0 H GLY A 155 -12.685 0.099 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.267 -0.266 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.253 1.445 -1.643 1.00 0.00 H new ATOM 440 N GLY A 156 -11.508 -0.362 -1.962 1.00 0.00 N ATOM 441 CA GLY A 156 -10.416 -0.648 -2.875 1.00 0.00 C ATOM 442 C GLY A 156 -9.281 0.348 -2.750 1.00 0.00 C ATOM 443 O GLY A 156 -9.131 1.239 -3.587 1.00 0.00 O ATOM 0 H GLY A 156 -11.407 -0.768 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.038 -1.652 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.791 -0.641 -3.899 1.00 0.00 H new ATOM 447 N ARG A 157 -8.479 0.199 -1.701 1.00 0.00 N ATOM 448 CA ARG A 157 -7.351 1.092 -1.467 1.00 0.00 C ATOM 449 C ARG A 157 -6.160 0.325 -0.897 1.00 0.00 C ATOM 450 O ARG A 157 -6.241 -0.879 -0.659 1.00 0.00 O ATOM 451 CB ARG A 157 -7.747 2.217 -0.507 1.00 0.00 C ATOM 452 CG ARG A 157 -9.124 2.802 -0.782 1.00 0.00 C ATOM 453 CD ARG A 157 -9.159 4.297 -0.509 1.00 0.00 C ATOM 454 NE ARG A 157 -9.007 4.600 0.913 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.644 5.792 1.381 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.397 6.795 0.546 1.00 0.00 N ATOM 457 NH2 ARG A 157 -8.526 5.982 2.688 1.00 0.00 N ATOM 0 H ARG A 157 -8.590 -0.533 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.063 1.526 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.721 1.837 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.005 3.013 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.400 2.614 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.865 2.300 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.363 4.786 -1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.102 4.709 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.190 3.855 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.485 6.654 -0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.119 7.706 0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.713 5.215 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.248 6.895 3.048 1.00 0.00 H new ATOM 471 N LEU A 158 -5.057 1.035 -0.683 1.00 0.00 N ATOM 472 CA LEU A 158 -3.849 0.427 -0.142 1.00 0.00 C ATOM 473 C LEU A 158 -3.656 0.818 1.321 1.00 0.00 C ATOM 474 O LEU A 158 -3.570 2.000 1.649 1.00 0.00 O ATOM 475 CB LEU A 158 -2.633 0.861 -0.963 1.00 0.00 C ATOM 476 CG LEU A 158 -1.518 -0.179 -1.081 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.096 -0.670 0.294 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.963 -1.345 -1.948 1.00 0.00 C ATOM 0 H LEU A 158 -4.976 2.033 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.953 -0.657 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.968 1.125 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.218 1.765 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.659 0.295 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.302 -1.409 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.733 0.171 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.950 -1.124 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.156 -2.074 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.839 -1.816 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.214 -0.982 -2.945 1.00 0.00 H new ATOM 490 N THR A 159 -3.587 -0.182 2.195 1.00 0.00 N ATOM 491 CA THR A 159 -3.403 0.066 3.622 1.00 0.00 C ATOM 492 C THR A 159 -2.075 -0.511 4.109 1.00 0.00 C ATOM 493 O THR A 159 -1.469 -1.355 3.445 1.00 0.00 O ATOM 494 CB THR A 159 -4.559 -0.539 4.423 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.107 -1.657 3.749 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.684 0.439 4.680 1.00 0.00 C ATOM 0 H THR A 159 -3.655 -1.168 1.942 1.00 0.00 H new ATOM 0 HA THR A 159 -3.390 1.145 3.777 1.00 0.00 H new ATOM 0 HB THR A 159 -4.126 -0.830 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.390 -2.152 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.471 -0.053 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.304 1.291 5.244 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.089 0.785 3.729 1.00 0.00 H new ATOM 504 N ARG A 160 -1.632 -0.053 5.278 1.00 0.00 N ATOM 505 CA ARG A 160 -0.378 -0.522 5.857 1.00 0.00 C ATOM 506 C ARG A 160 -0.387 -2.040 5.990 1.00 0.00 C ATOM 507 O ARG A 160 0.649 -2.693 5.867 1.00 0.00 O ATOM 508 CB ARG A 160 -0.152 0.120 7.227 1.00 0.00 C ATOM 509 CG ARG A 160 -0.235 1.638 7.208 1.00 0.00 C ATOM 510 CD ARG A 160 1.146 2.272 7.159 1.00 0.00 C ATOM 511 NE ARG A 160 1.844 2.167 8.438 1.00 0.00 N ATOM 512 CZ ARG A 160 1.600 2.957 9.481 1.00 0.00 C ATOM 513 NH1 ARG A 160 0.677 3.908 9.402 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.282 2.796 10.607 1.00 0.00 N ATOM 0 H ARG A 160 -2.123 0.641 5.841 1.00 0.00 H new ATOM 0 HA ARG A 160 0.436 -0.233 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.892 -0.267 7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.827 -0.178 7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.815 1.961 6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.765 1.985 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.739 1.789 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.053 3.322 6.882 1.00 0.00 H new ATOM 0 HE ARG A 160 2.559 1.447 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.150 4.037 8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 160 0.495 4.510 10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.993 2.067 10.673 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.096 3.401 11.407 1.00 0.00 H new ATOM 528 N GLU A 161 -1.570 -2.596 6.226 1.00 0.00 N ATOM 529 CA GLU A 161 -1.723 -4.036 6.356 1.00 0.00 C ATOM 530 C GLU A 161 -1.461 -4.714 5.018 1.00 0.00 C ATOM 531 O GLU A 161 -0.881 -5.799 4.960 1.00 0.00 O ATOM 532 CB GLU A 161 -3.127 -4.382 6.856 1.00 0.00 C ATOM 533 CG GLU A 161 -3.547 -3.593 8.085 1.00 0.00 C ATOM 534 CD GLU A 161 -4.788 -4.161 8.745 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.606 -4.783 8.036 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.941 -3.986 9.973 1.00 0.00 O ATOM 0 H GLU A 161 -2.437 -2.069 6.331 1.00 0.00 H new ATOM 0 HA GLU A 161 -0.997 -4.398 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.844 -4.200 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.170 -5.447 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.728 -3.585 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.732 -2.557 7.802 1.00 0.00 H new ATOM 543 N ASP A 162 -1.891 -4.062 3.942 1.00 0.00 N ATOM 544 CA ASP A 162 -1.703 -4.592 2.598 1.00 0.00 C ATOM 545 C ASP A 162 -0.222 -4.646 2.243 1.00 0.00 C ATOM 546 O ASP A 162 0.282 -5.677 1.799 1.00 0.00 O ATOM 547 CB ASP A 162 -2.453 -3.731 1.581 1.00 0.00 C ATOM 548 CG ASP A 162 -3.953 -3.942 1.639 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.390 -5.111 1.623 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.691 -2.936 1.700 1.00 0.00 O ATOM 0 H ASP A 162 -2.373 -3.164 3.976 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.104 -5.605 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.229 -2.680 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.095 -3.963 0.578 1.00 0.00 H new ATOM 555 N VAL A 163 0.472 -3.530 2.445 1.00 0.00 N ATOM 556 CA VAL A 163 1.897 -3.455 2.148 1.00 0.00 C ATOM 557 C VAL A 163 2.686 -4.426 3.019 1.00 0.00 C ATOM 558 O VAL A 163 3.687 -4.996 2.583 1.00 0.00 O ATOM 559 CB VAL A 163 2.446 -2.031 2.354 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.902 -1.947 1.921 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.601 -1.017 1.598 1.00 0.00 C ATOM 0 H VAL A 163 0.071 -2.667 2.812 1.00 0.00 H new ATOM 0 HA VAL A 163 2.017 -3.728 1.099 1.00 0.00 H new ATOM 0 HB VAL A 163 2.394 -1.795 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.269 -0.932 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.498 -2.643 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.983 -2.206 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.005 -0.017 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.618 -1.251 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.574 -1.055 1.962 1.00 0.00 H new ATOM 571 N GLU A 164 2.228 -4.613 4.254 1.00 0.00 N ATOM 572 CA GLU A 164 2.892 -5.518 5.185 1.00 0.00 C ATOM 573 C GLU A 164 2.747 -6.965 4.727 1.00 0.00 C ATOM 574 O GLU A 164 3.719 -7.720 4.707 1.00 0.00 O ATOM 575 CB GLU A 164 2.311 -5.354 6.591 1.00 0.00 C ATOM 576 CG GLU A 164 2.785 -4.096 7.302 1.00 0.00 C ATOM 577 CD GLU A 164 3.708 -4.395 8.467 1.00 0.00 C ATOM 578 OE1 GLU A 164 4.329 -5.479 8.470 1.00 0.00 O ATOM 579 OE2 GLU A 164 3.809 -3.546 9.378 1.00 0.00 O ATOM 0 H GLU A 164 1.401 -4.150 4.632 1.00 0.00 H new ATOM 0 HA GLU A 164 3.952 -5.266 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.223 -5.337 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.581 -6.224 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.303 -3.454 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.920 -3.540 7.663 1.00 0.00 H new ATOM 586 N LYS A 165 1.529 -7.344 4.356 1.00 0.00 N ATOM 587 CA LYS A 165 1.258 -8.701 3.894 1.00 0.00 C ATOM 588 C LYS A 165 2.017 -8.993 2.604 1.00 0.00 C ATOM 589 O LYS A 165 2.476 -10.115 2.382 1.00 0.00 O ATOM 590 CB LYS A 165 -0.242 -8.896 3.671 1.00 0.00 C ATOM 591 CG LYS A 165 -1.011 -9.204 4.948 1.00 0.00 C ATOM 592 CD LYS A 165 -2.251 -8.331 5.080 1.00 0.00 C ATOM 593 CE LYS A 165 -3.466 -9.145 5.494 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.064 -9.876 4.342 1.00 0.00 N ATOM 0 H LYS A 165 0.714 -6.731 4.366 1.00 0.00 H new ATOM 0 HA LYS A 165 1.597 -9.396 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.654 -7.995 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.393 -9.709 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.303 -10.254 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.363 -9.049 5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.069 -7.548 5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.451 -7.835 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.179 -9.858 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.214 -8.484 5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -4.890 -10.419 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -4.361 -9.194 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -3.359 -10.526 3.939 1.00 0.00 H new ATOM 608 N TRP A 166 2.149 -7.976 1.759 1.00 0.00 N ATOM 609 CA TRP A 166 2.854 -8.121 0.491 1.00 0.00 C ATOM 610 C TRP A 166 4.355 -8.258 0.719 1.00 0.00 C ATOM 611 O TRP A 166 5.012 -9.096 0.101 1.00 0.00 O ATOM 612 CB TRP A 166 2.571 -6.918 -0.411 1.00 0.00 C ATOM 613 CG TRP A 166 3.135 -7.066 -1.791 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.400 -6.755 -2.198 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.451 -7.560 -2.949 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.546 -7.026 -3.537 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.363 -7.520 -4.021 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.156 -8.031 -3.184 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.022 -7.936 -5.306 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.818 -8.442 -4.459 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.747 -8.393 -5.506 1.00 0.00 C ATOM 0 H TRP A 166 1.777 -7.042 1.930 1.00 0.00 H new ATOM 0 HA TRP A 166 2.494 -9.026 0.002 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.493 -6.770 -0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.986 -6.022 0.050 1.00 0.00 H new ATOM 0 HD1 TRP A 166 5.174 -6.354 -1.560 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.396 -6.883 -4.082 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.433 -8.073 -2.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.737 -7.899 -6.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.180 -8.807 -4.652 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.452 -8.722 -6.491 1.00 0.00 H new ATOM 632 N LEU A 167 4.892 -7.428 1.608 1.00 0.00 N ATOM 633 CA LEU A 167 6.318 -7.457 1.916 1.00 0.00 C ATOM 634 C LEU A 167 6.725 -8.808 2.493 1.00 0.00 C ATOM 635 O LEU A 167 7.780 -9.347 2.158 1.00 0.00 O ATOM 636 CB LEU A 167 6.669 -6.344 2.905 1.00 0.00 C ATOM 637 CG LEU A 167 6.660 -4.931 2.319 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.366 -3.906 3.403 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.988 -4.626 1.642 1.00 0.00 C ATOM 0 H LEU A 167 4.362 -6.728 2.127 1.00 0.00 H new ATOM 0 HA LEU A 167 6.867 -7.299 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.964 -6.381 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.658 -6.544 3.317 1.00 0.00 H new ATOM 0 HG LEU A 167 5.871 -4.874 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.364 -2.907 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.391 -4.112 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.133 -3.963 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.964 -3.617 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.794 -4.701 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.159 -5.341 0.838 1.00 0.00 H new ATOM 651 N ALA A 168 5.880 -9.348 3.363 1.00 0.00 N ATOM 652 CA ALA A 168 6.147 -10.636 3.990 1.00 0.00 C ATOM 653 C ALA A 168 6.134 -11.762 2.962 1.00 0.00 C ATOM 654 O ALA A 168 6.878 -12.735 3.082 1.00 0.00 O ATOM 655 CB ALA A 168 5.129 -10.909 5.088 1.00 0.00 C ATOM 0 H ALA A 168 5.003 -8.913 3.650 1.00 0.00 H new ATOM 0 HA ALA A 168 7.142 -10.597 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.340 -11.874 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.190 -10.126 5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.127 -10.923 4.660 1.00 0.00 H new ATOM 661 N LYS A 169 5.284 -11.620 1.951 1.00 0.00 N ATOM 662 CA LYS A 169 5.172 -12.625 0.899 1.00 0.00 C ATOM 663 C LYS A 169 4.553 -12.026 -0.360 1.00 0.00 C ATOM 664 O LYS A 169 3.332 -12.006 -0.513 1.00 0.00 O ATOM 665 CB LYS A 169 4.336 -13.811 1.383 1.00 0.00 C ATOM 666 CG LYS A 169 5.168 -15.010 1.804 1.00 0.00 C ATOM 667 CD LYS A 169 4.313 -16.073 2.474 1.00 0.00 C ATOM 668 CE LYS A 169 5.058 -17.394 2.591 1.00 0.00 C ATOM 669 NZ LYS A 169 4.984 -18.186 1.333 1.00 0.00 N ATOM 0 H LYS A 169 4.662 -10.819 1.837 1.00 0.00 H new ATOM 0 HA LYS A 169 6.175 -12.976 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.722 -13.492 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.655 -14.113 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 169 5.662 -15.436 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 169 5.952 -14.688 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 169 4.017 -15.732 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 169 3.397 -16.220 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 169 6.102 -17.201 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 169 4.639 -17.976 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 5.504 -19.079 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 3.989 -18.392 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 5.407 -17.642 0.555 1.00 0.00 H new ATOM 683 N ALA A 170 5.404 -11.541 -1.258 1.00 0.00 N ATOM 684 CA ALA A 170 4.940 -10.942 -2.503 1.00 0.00 C ATOM 685 C ALA A 170 4.610 -12.014 -3.537 1.00 0.00 C ATOM 686 O ALA A 170 4.618 -11.693 -4.744 1.00 0.00 O ATOM 687 CB ALA A 170 5.987 -9.982 -3.049 1.00 0.00 C ATOM 688 OXT ALA A 170 4.348 -13.166 -3.132 1.00 0.00 O ATOM 0 H ALA A 170 6.418 -11.551 -1.147 1.00 0.00 H new ATOM 0 HA ALA A 170 4.027 -10.384 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 170 5.627 -9.542 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.171 -9.192 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 170 6.914 -10.524 -3.239 1.00 0.00 H new TER 694 ALA A 170