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 X(o=0,f=0) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 132 SER OG : rot 180:sc= -1.23 USER MOD Single : A 142 HIS : no HE2:sc= -5.83 K(o=-5.8,f=-8.6!) USER MOD Single : A 143 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.1!) 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 -39:sc= 1.15 USER MOD Single : A 159 THR OG1 : rot 40:sc= 0.815 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 -10.927 14.581 -7.521 1.00 0.00 N ATOM 2 CA GLN A 126 -11.290 15.239 -6.239 1.00 0.00 C ATOM 3 C GLN A 126 -10.785 14.437 -5.045 1.00 0.00 C ATOM 4 O GLN A 126 -9.950 14.911 -4.273 1.00 0.00 O ATOM 5 CB GLN A 126 -12.812 15.378 -6.176 1.00 0.00 C ATOM 6 CG GLN A 126 -13.405 16.128 -7.357 1.00 0.00 C ATOM 7 CD GLN A 126 -14.921 16.124 -7.349 1.00 0.00 C ATOM 8 OE1 GLN A 126 -15.550 16.644 -6.426 1.00 0.00 O ATOM 9 NE2 GLN A 126 -15.518 15.535 -8.379 1.00 0.00 N ATOM 0 HA GLN A 126 -10.820 16.222 -6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.257 14.384 -6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -13.083 15.895 -5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.048 17.158 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -13.049 15.678 -8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -14.958 15.117 -9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -16.536 15.501 -8.427 1.00 0.00 H new ATOM 20 N ASN A 127 -11.295 13.218 -4.899 1.00 0.00 N ATOM 21 CA ASN A 127 -10.896 12.349 -3.797 1.00 0.00 C ATOM 22 C ASN A 127 -9.725 11.460 -4.204 1.00 0.00 C ATOM 23 O ASN A 127 -9.317 11.447 -5.367 1.00 0.00 O ATOM 24 CB ASN A 127 -12.077 11.487 -3.347 1.00 0.00 C ATOM 25 CG ASN A 127 -12.727 12.014 -2.083 1.00 0.00 C ATOM 26 OD1 ASN A 127 -12.504 11.489 -0.991 1.00 0.00 O ATOM 27 ND2 ASN A 127 -13.537 13.057 -2.224 1.00 0.00 N ATOM 0 H ASN A 127 -11.985 12.810 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 127 -10.579 12.978 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -12.819 11.447 -4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -11.735 10.466 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -14.003 13.455 -1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -13.693 13.460 -3.148 1.00 0.00 H new ATOM 34 N ASN A 128 -9.188 10.719 -3.241 1.00 0.00 N ATOM 35 CA ASN A 128 -8.065 9.826 -3.499 1.00 0.00 C ATOM 36 C ASN A 128 -8.478 8.687 -4.425 1.00 0.00 C ATOM 37 O ASN A 128 -9.665 8.421 -4.607 1.00 0.00 O ATOM 38 CB ASN A 128 -7.524 9.260 -2.186 1.00 0.00 C ATOM 39 CG ASN A 128 -6.813 10.309 -1.353 1.00 0.00 C ATOM 40 OD1 ASN A 128 -7.160 10.538 -0.194 1.00 0.00 O ATOM 41 ND2 ASN A 128 -5.812 10.954 -1.941 1.00 0.00 N ATOM 0 H ASN A 128 -9.513 10.719 -2.274 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.280 10.402 -3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -8.347 8.838 -1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -6.835 8.443 -2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -5.297 11.671 -1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -5.558 10.732 -2.904 1.00 0.00 H new ATOM 48 N ASP A 129 -7.489 8.015 -5.006 1.00 0.00 N ATOM 49 CA ASP A 129 -7.751 6.903 -5.912 1.00 0.00 C ATOM 50 C ASP A 129 -7.751 5.578 -5.158 1.00 0.00 C ATOM 51 O ASP A 129 -8.575 4.701 -5.422 1.00 0.00 O ATOM 52 CB ASP A 129 -6.705 6.871 -7.030 1.00 0.00 C ATOM 53 CG ASP A 129 -7.264 7.345 -8.357 1.00 0.00 C ATOM 54 OD1 ASP A 129 -7.409 8.573 -8.536 1.00 0.00 O ATOM 55 OD2 ASP A 129 -7.558 6.489 -9.218 1.00 0.00 O ATOM 0 H ASP A 129 -6.500 8.221 -4.866 1.00 0.00 H new ATOM 0 HA ASP A 129 -8.737 7.049 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.859 7.498 -6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.326 5.855 -7.140 1.00 0.00 H new ATOM 60 N ALA A 130 -6.823 5.439 -4.219 1.00 0.00 N ATOM 61 CA ALA A 130 -6.712 4.222 -3.423 1.00 0.00 C ATOM 62 C ALA A 130 -5.568 4.324 -2.420 1.00 0.00 C ATOM 63 O ALA A 130 -5.678 3.857 -1.287 1.00 0.00 O ATOM 64 CB ALA A 130 -6.516 3.013 -4.326 1.00 0.00 C ATOM 0 H ALA A 130 -6.135 6.156 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.641 4.098 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.435 2.113 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.368 2.920 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.604 3.139 -4.910 1.00 0.00 H new ATOM 70 N LEU A 131 -4.470 4.936 -2.848 1.00 0.00 N ATOM 71 CA LEU A 131 -3.302 5.100 -1.991 1.00 0.00 C ATOM 72 C LEU A 131 -3.570 6.123 -0.892 1.00 0.00 C ATOM 73 O LEU A 131 -4.640 6.730 -0.842 1.00 0.00 O ATOM 74 CB LEU A 131 -2.091 5.529 -2.821 1.00 0.00 C ATOM 75 CG LEU A 131 -1.257 4.382 -3.394 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.541 3.635 -2.280 1.00 0.00 C ATOM 77 CD2 LEU A 131 -2.137 3.433 -4.194 1.00 0.00 C ATOM 0 H LEU A 131 -4.364 5.327 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.090 4.139 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.438 6.152 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.446 6.151 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.506 4.802 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.047 2.823 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.119 4.320 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.275 3.226 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.528 2.623 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.910 3.020 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.605 3.976 -5.015 1.00 0.00 H new ATOM 89 N SER A 132 -2.590 6.308 -0.012 1.00 0.00 N ATOM 90 CA SER A 132 -2.719 7.257 1.088 1.00 0.00 C ATOM 91 C SER A 132 -1.468 8.125 1.204 1.00 0.00 C ATOM 92 O SER A 132 -0.375 7.706 0.820 1.00 0.00 O ATOM 93 CB SER A 132 -2.963 6.513 2.403 1.00 0.00 C ATOM 94 OG SER A 132 -2.688 7.341 3.519 1.00 0.00 O ATOM 0 H SER A 132 -1.698 5.813 -0.040 1.00 0.00 H new ATOM 0 HA SER A 132 -3.571 7.904 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.998 6.173 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.334 5.624 2.443 1.00 0.00 H new ATOM 0 HG SER A 132 -2.854 6.841 4.346 1.00 0.00 H new ATOM 100 N PRO A 133 -1.612 9.352 1.734 1.00 0.00 N ATOM 101 CA PRO A 133 -0.486 10.279 1.896 1.00 0.00 C ATOM 102 C PRO A 133 0.684 9.645 2.641 1.00 0.00 C ATOM 103 O PRO A 133 1.808 9.612 2.140 1.00 0.00 O ATOM 104 CB PRO A 133 -1.082 11.426 2.712 1.00 0.00 C ATOM 105 CG PRO A 133 -2.542 11.383 2.417 1.00 0.00 C ATOM 106 CD PRO A 133 -2.880 9.933 2.214 1.00 0.00 C ATOM 0 HA PRO A 133 -0.075 10.592 0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.889 11.296 3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.648 12.384 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.119 11.807 3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.778 11.967 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.212 9.464 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.682 9.805 1.487 1.00 0.00 H new ATOM 114 N ALA A 134 0.413 9.145 3.843 1.00 0.00 N ATOM 115 CA ALA A 134 1.443 8.514 4.658 1.00 0.00 C ATOM 116 C ALA A 134 1.959 7.238 4.001 1.00 0.00 C ATOM 117 O ALA A 134 3.170 7.008 3.921 1.00 0.00 O ATOM 118 CB ALA A 134 0.904 8.214 6.048 1.00 0.00 C ATOM 0 H ALA A 134 -0.512 9.165 4.273 1.00 0.00 H new ATOM 0 HA ALA A 134 2.279 9.208 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.684 7.743 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.592 9.143 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.050 7.541 5.970 1.00 0.00 H new ATOM 124 N ILE A 135 1.037 6.404 3.530 1.00 0.00 N ATOM 125 CA ILE A 135 1.416 5.158 2.882 1.00 0.00 C ATOM 126 C ILE A 135 2.356 5.417 1.717 1.00 0.00 C ATOM 127 O ILE A 135 3.357 4.729 1.563 1.00 0.00 O ATOM 128 CB ILE A 135 0.196 4.367 2.375 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.748 4.045 3.535 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.650 3.089 1.675 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.961 3.239 3.124 1.00 0.00 C ATOM 0 H ILE A 135 0.032 6.568 3.585 1.00 0.00 H new ATOM 0 HA ILE A 135 1.922 4.560 3.640 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.346 4.979 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.198 3.494 4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.080 4.977 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.222 2.539 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.286 3.345 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.210 2.470 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.584 3.049 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.535 3.797 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.639 2.290 2.694 1.00 0.00 H new ATOM 143 N ARG A 136 2.039 6.415 0.899 1.00 0.00 N ATOM 144 CA ARG A 136 2.881 6.744 -0.246 1.00 0.00 C ATOM 145 C ARG A 136 4.331 6.869 0.195 1.00 0.00 C ATOM 146 O ARG A 136 5.249 6.477 -0.524 1.00 0.00 O ATOM 147 CB ARG A 136 2.411 8.040 -0.910 1.00 0.00 C ATOM 148 CG ARG A 136 1.455 7.818 -2.069 1.00 0.00 C ATOM 149 CD ARG A 136 2.177 7.873 -3.406 1.00 0.00 C ATOM 150 NE ARG A 136 1.282 8.252 -4.497 1.00 0.00 N ATOM 151 CZ ARG A 136 0.881 9.501 -4.726 1.00 0.00 C ATOM 152 NH1 ARG A 136 1.290 10.492 -3.943 1.00 0.00 N ATOM 153 NH2 ARG A 136 0.068 9.760 -5.741 1.00 0.00 N ATOM 0 H ARG A 136 1.214 7.005 1.005 1.00 0.00 H new ATOM 0 HA ARG A 136 2.802 5.940 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.923 8.665 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.281 8.591 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.966 6.850 -1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.672 8.576 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.998 8.588 -3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.618 6.899 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 136 0.945 7.517 -5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.915 10.299 -3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.979 11.446 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.250 9.003 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.240 10.717 -5.917 1.00 0.00 H new ATOM 167 N ARG A 137 4.523 7.387 1.402 1.00 0.00 N ATOM 168 CA ARG A 137 5.856 7.525 1.958 1.00 0.00 C ATOM 169 C ARG A 137 6.392 6.146 2.309 1.00 0.00 C ATOM 170 O ARG A 137 7.556 5.833 2.065 1.00 0.00 O ATOM 171 CB ARG A 137 5.828 8.413 3.204 1.00 0.00 C ATOM 172 CG ARG A 137 7.205 8.857 3.667 1.00 0.00 C ATOM 173 CD ARG A 137 7.113 9.892 4.776 1.00 0.00 C ATOM 174 NE ARG A 137 8.200 10.866 4.709 1.00 0.00 N ATOM 175 CZ ARG A 137 9.435 10.630 5.144 1.00 0.00 C ATOM 176 NH1 ARG A 137 9.744 9.456 5.681 1.00 0.00 N ATOM 177 NH2 ARG A 137 10.365 11.571 5.044 1.00 0.00 N ATOM 0 H ARG A 137 3.773 7.716 2.010 1.00 0.00 H new ATOM 0 HA ARG A 137 6.507 7.995 1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.222 9.295 2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.339 7.872 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.767 7.993 4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.757 9.273 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.157 10.411 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.136 9.390 5.743 1.00 0.00 H new ATOM 0 HE ARG A 137 8.000 11.781 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 137 9.033 8.729 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 137 10.692 9.281 6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 137 10.133 12.476 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 137 11.312 11.390 5.378 1.00 0.00 H new ATOM 191 N LEU A 138 5.516 5.320 2.876 1.00 0.00 N ATOM 192 CA LEU A 138 5.885 3.961 3.254 1.00 0.00 C ATOM 193 C LEU A 138 6.291 3.146 2.028 1.00 0.00 C ATOM 194 O LEU A 138 7.374 2.563 1.993 1.00 0.00 O ATOM 195 CB LEU A 138 4.725 3.270 3.972 1.00 0.00 C ATOM 196 CG LEU A 138 5.017 1.840 4.431 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.144 1.829 5.451 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.768 1.195 5.010 1.00 0.00 C ATOM 0 H LEU A 138 4.549 5.568 3.083 1.00 0.00 H new ATOM 0 HA LEU A 138 6.737 4.022 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.447 3.866 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.862 3.254 3.307 1.00 0.00 H new ATOM 0 HG LEU A 138 5.330 1.259 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.339 0.804 5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.045 2.248 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.858 2.427 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.998 0.179 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.422 1.775 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.987 1.168 4.250 1.00 0.00 H new ATOM 210 N LEU A 139 5.424 3.118 1.016 1.00 0.00 N ATOM 211 CA LEU A 139 5.708 2.383 -0.209 1.00 0.00 C ATOM 212 C LEU A 139 6.980 2.914 -0.846 1.00 0.00 C ATOM 213 O LEU A 139 7.790 2.156 -1.380 1.00 0.00 O ATOM 214 CB LEU A 139 4.539 2.502 -1.189 1.00 0.00 C ATOM 215 CG LEU A 139 3.341 1.601 -0.879 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.060 2.214 -1.421 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.557 0.212 -1.460 1.00 0.00 C ATOM 0 H LEU A 139 4.523 3.595 1.023 1.00 0.00 H new ATOM 0 HA LEU A 139 5.845 1.330 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.201 3.538 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.899 2.270 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 139 3.247 1.511 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.218 1.560 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.899 3.188 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.143 2.334 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.696 -0.416 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.676 0.284 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.454 -0.229 -1.025 1.00 0.00 H new ATOM 229 N ALA A 140 7.155 4.227 -0.765 1.00 0.00 N ATOM 230 CA ALA A 140 8.338 4.872 -1.315 1.00 0.00 C ATOM 231 C ALA A 140 9.587 4.390 -0.586 1.00 0.00 C ATOM 232 O ALA A 140 10.658 4.264 -1.180 1.00 0.00 O ATOM 233 CB ALA A 140 8.212 6.385 -1.217 1.00 0.00 C ATOM 0 H ALA A 140 6.493 4.865 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 140 8.425 4.603 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.105 6.852 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.336 6.714 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.104 6.674 -0.172 1.00 0.00 H new ATOM 239 N GLU A 141 9.435 4.117 0.707 1.00 0.00 N ATOM 240 CA GLU A 141 10.540 3.640 1.526 1.00 0.00 C ATOM 241 C GLU A 141 10.873 2.191 1.194 1.00 0.00 C ATOM 242 O GLU A 141 12.033 1.842 0.974 1.00 0.00 O ATOM 243 CB GLU A 141 10.192 3.764 3.012 1.00 0.00 C ATOM 244 CG GLU A 141 9.986 5.199 3.472 1.00 0.00 C ATOM 245 CD GLU A 141 11.225 5.785 4.120 1.00 0.00 C ATOM 246 OE1 GLU A 141 11.891 5.062 4.890 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.528 6.968 3.859 1.00 0.00 O ATOM 0 H GLU A 141 8.553 4.219 1.209 1.00 0.00 H new ATOM 0 HA GLU A 141 11.413 4.257 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.285 3.193 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.990 3.313 3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.702 5.814 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.158 5.235 4.180 1.00 0.00 H new ATOM 254 N HIS A 142 9.844 1.356 1.159 1.00 0.00 N ATOM 255 CA HIS A 142 10.013 -0.060 0.851 1.00 0.00 C ATOM 256 C HIS A 142 10.410 -0.264 -0.612 1.00 0.00 C ATOM 257 O HIS A 142 10.821 -1.355 -1.004 1.00 0.00 O ATOM 258 CB HIS A 142 8.721 -0.826 1.147 1.00 0.00 C ATOM 259 CG HIS A 142 8.416 -0.952 2.609 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.849 -2.011 3.380 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.712 -0.147 3.440 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.423 -1.852 4.621 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.732 -0.729 4.683 1.00 0.00 N ATOM 0 H HIS A 142 8.880 1.634 1.341 1.00 0.00 H new ATOM 0 HA HIS A 142 10.814 -0.445 1.482 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.890 -0.323 0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.793 -1.823 0.713 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.410 -2.794 3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.226 0.780 3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.609 -2.526 5.444 1.00 0.00 H new ATOM 272 N ASN A 143 10.283 0.791 -1.415 1.00 0.00 N ATOM 273 CA ASN A 143 10.627 0.720 -2.831 1.00 0.00 C ATOM 274 C ASN A 143 9.718 -0.264 -3.561 1.00 0.00 C ATOM 275 O ASN A 143 10.187 -1.132 -4.297 1.00 0.00 O ATOM 276 CB ASN A 143 12.093 0.314 -3.004 1.00 0.00 C ATOM 277 CG ASN A 143 13.020 1.511 -3.080 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.585 2.656 -2.958 1.00 0.00 O ATOM 279 ND2 ASN A 143 14.306 1.252 -3.283 1.00 0.00 N ATOM 0 H ASN A 143 9.945 1.703 -1.108 1.00 0.00 H new ATOM 0 HA ASN A 143 10.482 1.709 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.392 -0.321 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.198 -0.281 -3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.977 2.018 -3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 143 14.623 0.287 -3.378 1.00 0.00 H new ATOM 286 N LEU A 144 8.413 -0.121 -3.349 1.00 0.00 N ATOM 287 CA LEU A 144 7.436 -0.997 -3.985 1.00 0.00 C ATOM 288 C LEU A 144 6.568 -0.222 -4.969 1.00 0.00 C ATOM 289 O LEU A 144 6.724 0.987 -5.134 1.00 0.00 O ATOM 290 CB LEU A 144 6.550 -1.666 -2.932 1.00 0.00 C ATOM 291 CG LEU A 144 7.274 -2.091 -1.655 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.276 -2.546 -0.603 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.279 -3.193 -1.954 1.00 0.00 C ATOM 0 H LEU A 144 8.009 0.592 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 144 7.983 -1.765 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.747 -0.979 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 144 6.083 -2.545 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 144 7.816 -1.231 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.809 -2.845 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.596 -1.727 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.706 -3.393 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.785 -3.483 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.759 -4.056 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.013 -2.830 -2.673 1.00 0.00 H new ATOM 305 N ASP A 145 5.654 -0.931 -5.619 1.00 0.00 N ATOM 306 CA ASP A 145 4.755 -0.318 -6.589 1.00 0.00 C ATOM 307 C ASP A 145 3.300 -0.506 -6.174 1.00 0.00 C ATOM 308 O ASP A 145 2.827 -1.633 -6.025 1.00 0.00 O ATOM 309 CB ASP A 145 4.983 -0.918 -7.977 1.00 0.00 C ATOM 310 CG ASP A 145 4.880 0.117 -9.080 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.932 0.929 -9.043 1.00 0.00 O ATOM 312 OD2 ASP A 145 5.747 0.117 -9.978 1.00 0.00 O ATOM 0 H ASP A 145 5.515 -1.933 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 145 4.970 0.750 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.968 -1.384 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.251 -1.706 -8.153 1.00 0.00 H new ATOM 317 N ALA A 146 2.593 0.606 -5.987 1.00 0.00 N ATOM 318 CA ALA A 146 1.191 0.564 -5.588 1.00 0.00 C ATOM 319 C ALA A 146 0.370 -0.290 -6.549 1.00 0.00 C ATOM 320 O ALA A 146 -0.447 -1.108 -6.126 1.00 0.00 O ATOM 321 CB ALA A 146 0.622 1.973 -5.513 1.00 0.00 C ATOM 0 H ALA A 146 2.969 1.547 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 146 1.134 0.107 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.425 1.927 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.183 2.554 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.700 2.449 -6.490 1.00 0.00 H new ATOM 327 N SER A 147 0.593 -0.096 -7.844 1.00 0.00 N ATOM 328 CA SER A 147 -0.124 -0.848 -8.866 1.00 0.00 C ATOM 329 C SER A 147 0.131 -2.348 -8.730 1.00 0.00 C ATOM 330 O SER A 147 -0.638 -3.164 -9.235 1.00 0.00 O ATOM 331 CB SER A 147 0.290 -0.375 -10.261 1.00 0.00 C ATOM 332 OG SER A 147 -0.741 -0.608 -11.205 1.00 0.00 O ATOM 0 H SER A 147 1.266 0.577 -8.211 1.00 0.00 H new ATOM 0 HA SER A 147 -1.190 -0.668 -8.727 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.528 0.688 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.196 -0.896 -10.571 1.00 0.00 H new ATOM 0 HG SER A 147 -0.453 -0.296 -12.088 1.00 0.00 H new ATOM 338 N ALA A 148 1.215 -2.705 -8.044 1.00 0.00 N ATOM 339 CA ALA A 148 1.565 -4.106 -7.846 1.00 0.00 C ATOM 340 C ALA A 148 0.858 -4.683 -6.623 1.00 0.00 C ATOM 341 O ALA A 148 0.657 -5.894 -6.525 1.00 0.00 O ATOM 342 CB ALA A 148 3.072 -4.257 -7.707 1.00 0.00 C ATOM 0 H ALA A 148 1.864 -2.043 -7.618 1.00 0.00 H new ATOM 0 HA ALA A 148 1.233 -4.665 -8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.320 -5.308 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.559 -3.892 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.418 -3.679 -6.850 1.00 0.00 H new ATOM 348 N ILE A 149 0.486 -3.812 -5.692 1.00 0.00 N ATOM 349 CA ILE A 149 -0.196 -4.238 -4.474 1.00 0.00 C ATOM 350 C ILE A 149 -1.696 -3.970 -4.566 1.00 0.00 C ATOM 351 O ILE A 149 -2.150 -3.230 -5.437 1.00 0.00 O ATOM 352 CB ILE A 149 0.370 -3.525 -3.230 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.886 -3.347 -3.358 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.028 -4.306 -1.970 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.514 -2.636 -2.179 1.00 0.00 C ATOM 0 H ILE A 149 0.645 -2.807 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.025 -5.310 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.087 -2.538 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.350 -4.327 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.102 -2.786 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.435 -3.790 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.055 -4.383 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.459 -5.305 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.588 -2.546 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.077 -1.642 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.329 -3.207 -1.269 1.00 0.00 H new ATOM 367 N LYS A 150 -2.459 -4.578 -3.663 1.00 0.00 N ATOM 368 CA LYS A 150 -3.907 -4.406 -3.645 1.00 0.00 C ATOM 369 C LYS A 150 -4.351 -3.660 -2.392 1.00 0.00 C ATOM 370 O LYS A 150 -3.621 -3.595 -1.404 1.00 0.00 O ATOM 371 CB LYS A 150 -4.604 -5.765 -3.718 1.00 0.00 C ATOM 372 CG LYS A 150 -4.478 -6.441 -5.074 1.00 0.00 C ATOM 373 CD LYS A 150 -4.196 -7.929 -4.935 1.00 0.00 C ATOM 374 CE LYS A 150 -3.201 -8.408 -5.979 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.061 -9.890 -5.975 1.00 0.00 N ATOM 0 H LYS A 150 -2.098 -5.194 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.188 -3.814 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.185 -6.420 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.660 -5.635 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.398 -6.296 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.676 -5.970 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.806 -8.135 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.127 -8.488 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.523 -8.077 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.229 -7.951 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.374 -10.176 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.729 -10.205 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.983 -10.326 -6.180 1.00 0.00 H new ATOM 389 N GLY A 151 -5.554 -3.095 -2.441 1.00 0.00 N ATOM 390 CA GLY A 151 -6.074 -2.359 -1.303 1.00 0.00 C ATOM 391 C GLY A 151 -7.330 -2.986 -0.729 1.00 0.00 C ATOM 392 O GLY A 151 -8.112 -3.601 -1.454 1.00 0.00 O ATOM 0 H GLY A 151 -6.177 -3.134 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.310 -2.309 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.289 -1.334 -1.605 1.00 0.00 H new ATOM 396 N THR A 152 -7.524 -2.828 0.577 1.00 0.00 N ATOM 397 CA THR A 152 -8.695 -3.382 1.249 1.00 0.00 C ATOM 398 C THR A 152 -9.309 -2.367 2.210 1.00 0.00 C ATOM 399 O THR A 152 -10.019 -2.737 3.145 1.00 0.00 O ATOM 400 CB THR A 152 -8.317 -4.656 2.006 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.453 -5.217 2.639 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.263 -4.429 3.069 1.00 0.00 C ATOM 0 H THR A 152 -6.886 -2.321 1.191 1.00 0.00 H new ATOM 0 HA THR A 152 -9.437 -3.624 0.488 1.00 0.00 H new ATOM 0 HB THR A 152 -7.911 -5.331 1.253 1.00 0.00 H new ATOM 0 HG1 THR A 152 -10.013 -4.499 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.041 -5.372 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.356 -4.041 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.633 -3.710 3.800 1.00 0.00 H new ATOM 410 N GLY A 153 -9.033 -1.087 1.974 1.00 0.00 N ATOM 411 CA GLY A 153 -9.568 -0.043 2.829 1.00 0.00 C ATOM 412 C GLY A 153 -11.082 0.025 2.784 1.00 0.00 C ATOM 413 O GLY A 153 -11.763 -0.970 3.032 1.00 0.00 O ATOM 0 H GLY A 153 -8.449 -0.755 1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.246 -0.218 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.155 0.919 2.525 1.00 0.00 H new ATOM 417 N VAL A 154 -11.610 1.203 2.467 1.00 0.00 N ATOM 418 CA VAL A 154 -13.053 1.397 2.391 1.00 0.00 C ATOM 419 C VAL A 154 -13.515 1.535 0.944 1.00 0.00 C ATOM 420 O VAL A 154 -13.905 2.617 0.505 1.00 0.00 O ATOM 421 CB VAL A 154 -13.495 2.643 3.183 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.012 2.716 3.260 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.883 2.636 4.576 1.00 0.00 C ATOM 0 H VAL A 154 -11.060 2.037 2.259 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.514 0.514 2.832 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.138 3.529 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.306 3.602 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.425 2.772 2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.394 1.826 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.207 3.523 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.207 1.744 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.796 2.636 4.496 1.00 0.00 H new ATOM 433 N GLY A 155 -13.466 0.431 0.205 1.00 0.00 N ATOM 434 CA GLY A 155 -13.882 0.448 -1.185 1.00 0.00 C ATOM 435 C GLY A 155 -12.714 0.327 -2.144 1.00 0.00 C ATOM 436 O GLY A 155 -12.744 0.881 -3.242 1.00 0.00 O ATOM 0 H GLY A 155 -13.145 -0.476 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.579 -0.371 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.420 1.374 -1.388 1.00 0.00 H new ATOM 440 N GLY A 156 -11.681 -0.399 -1.727 1.00 0.00 N ATOM 441 CA GLY A 156 -10.513 -0.578 -2.568 1.00 0.00 C ATOM 442 C GLY A 156 -9.464 0.493 -2.343 1.00 0.00 C ATOM 443 O GLY A 156 -9.265 1.365 -3.188 1.00 0.00 O ATOM 0 H GLY A 156 -11.633 -0.866 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.075 -1.557 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.818 -0.569 -3.614 1.00 0.00 H new ATOM 447 N ARG A 157 -8.790 0.426 -1.198 1.00 0.00 N ATOM 448 CA ARG A 157 -7.755 1.397 -0.861 1.00 0.00 C ATOM 449 C ARG A 157 -6.541 0.708 -0.247 1.00 0.00 C ATOM 450 O ARG A 157 -6.678 -0.223 0.546 1.00 0.00 O ATOM 451 CB ARG A 157 -8.302 2.446 0.110 1.00 0.00 C ATOM 452 CG ARG A 157 -9.710 2.915 -0.223 1.00 0.00 C ATOM 453 CD ARG A 157 -9.866 4.410 0.001 1.00 0.00 C ATOM 454 NE ARG A 157 -11.213 4.759 0.444 1.00 0.00 N ATOM 455 CZ ARG A 157 -12.260 4.857 -0.371 1.00 0.00 C ATOM 456 NH1 ARG A 157 -12.121 4.631 -1.673 1.00 0.00 N ATOM 457 NH2 ARG A 157 -13.451 5.180 0.114 1.00 0.00 N ATOM 0 H ARG A 157 -8.943 -0.291 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.445 1.891 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.296 2.032 1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.634 3.307 0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.938 2.676 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.430 2.376 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.142 4.743 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -9.640 4.941 -0.924 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.360 4.938 1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -11.208 4.381 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -12.927 4.708 -2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -13.565 5.354 1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -14.253 5.255 -0.512 1.00 0.00 H new ATOM 471 N LEU A 158 -5.353 1.177 -0.615 1.00 0.00 N ATOM 472 CA LEU A 158 -4.113 0.608 -0.097 1.00 0.00 C ATOM 473 C LEU A 158 -3.926 0.969 1.373 1.00 0.00 C ATOM 474 O LEU A 158 -4.046 2.133 1.755 1.00 0.00 O ATOM 475 CB LEU A 158 -2.919 1.109 -0.915 1.00 0.00 C ATOM 476 CG LEU A 158 -1.773 0.107 -1.081 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.071 -0.132 0.249 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.286 -1.205 -1.661 1.00 0.00 C ATOM 0 H LEU A 158 -5.222 1.949 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.173 -0.477 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.273 1.398 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.527 2.009 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.049 0.529 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.260 -0.847 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.665 0.809 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.785 -0.529 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.456 -1.903 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -3.033 -1.632 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.737 -1.020 -2.636 1.00 0.00 H new ATOM 490 N THR A 159 -3.630 -0.035 2.192 1.00 0.00 N ATOM 491 CA THR A 159 -3.426 0.178 3.621 1.00 0.00 C ATOM 492 C THR A 159 -2.121 -0.461 4.085 1.00 0.00 C ATOM 493 O THR A 159 -1.538 -1.289 3.381 1.00 0.00 O ATOM 494 CB THR A 159 -4.601 -0.392 4.418 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.240 -1.430 3.697 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.651 0.641 4.761 1.00 0.00 C ATOM 0 H THR A 159 -3.526 -1.004 1.891 1.00 0.00 H new ATOM 0 HA THR A 159 -3.366 1.252 3.798 1.00 0.00 H new ATOM 0 HB THR A 159 -4.165 -0.764 5.345 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.565 -1.977 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.455 0.169 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.201 1.432 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.055 1.068 3.843 1.00 0.00 H new ATOM 504 N ARG A 160 -1.668 -0.077 5.275 1.00 0.00 N ATOM 505 CA ARG A 160 -0.433 -0.617 5.831 1.00 0.00 C ATOM 506 C ARG A 160 -0.490 -2.138 5.883 1.00 0.00 C ATOM 507 O ARG A 160 0.523 -2.815 5.710 1.00 0.00 O ATOM 508 CB ARG A 160 -0.186 -0.053 7.232 1.00 0.00 C ATOM 509 CG ARG A 160 -0.357 1.455 7.321 1.00 0.00 C ATOM 510 CD ARG A 160 0.665 2.079 8.257 1.00 0.00 C ATOM 511 NE ARG A 160 0.165 3.303 8.878 1.00 0.00 N ATOM 512 CZ ARG A 160 -0.672 3.321 9.913 1.00 0.00 C ATOM 513 NH1 ARG A 160 -1.104 2.184 10.446 1.00 0.00 N ATOM 514 NH2 ARG A 160 -1.078 4.478 10.418 1.00 0.00 N ATOM 0 H ARG A 160 -2.137 0.605 5.871 1.00 0.00 H new ATOM 0 HA ARG A 160 0.392 -0.321 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.872 -0.530 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.824 -0.315 7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.257 1.893 6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -1.362 1.688 7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 160 0.931 1.361 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.577 2.301 7.702 1.00 0.00 H new ATOM 0 HE ARG A 160 0.475 4.196 8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -0.795 1.291 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -1.745 2.204 11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -0.749 5.355 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -1.719 4.491 11.211 1.00 0.00 H new ATOM 528 N GLU A 161 -1.687 -2.668 6.105 1.00 0.00 N ATOM 529 CA GLU A 161 -1.880 -4.109 6.159 1.00 0.00 C ATOM 530 C GLU A 161 -1.627 -4.721 4.787 1.00 0.00 C ATOM 531 O GLU A 161 -1.063 -5.811 4.673 1.00 0.00 O ATOM 532 CB GLU A 161 -3.296 -4.441 6.631 1.00 0.00 C ATOM 533 CG GLU A 161 -3.436 -5.845 7.194 1.00 0.00 C ATOM 534 CD GLU A 161 -4.876 -6.317 7.232 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.589 -6.131 6.223 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.293 -6.872 8.270 1.00 0.00 O ATOM 0 H GLU A 161 -2.536 -2.121 6.250 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.170 -4.530 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.594 -3.721 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.986 -4.323 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.847 -6.535 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.022 -5.871 8.202 1.00 0.00 H new ATOM 543 N ASP A 162 -2.037 -4.004 3.744 1.00 0.00 N ATOM 544 CA ASP A 162 -1.847 -4.469 2.377 1.00 0.00 C ATOM 545 C ASP A 162 -0.363 -4.548 2.049 1.00 0.00 C ATOM 546 O ASP A 162 0.118 -5.554 1.526 1.00 0.00 O ATOM 547 CB ASP A 162 -2.552 -3.534 1.392 1.00 0.00 C ATOM 548 CG ASP A 162 -4.060 -3.679 1.438 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.552 -4.819 1.309 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.750 -2.650 1.601 1.00 0.00 O ATOM 0 H ASP A 162 -2.502 -3.100 3.821 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.282 -5.464 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.282 -2.502 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.200 -3.742 0.382 1.00 0.00 H new ATOM 555 N VAL A 163 0.361 -3.480 2.368 1.00 0.00 N ATOM 556 CA VAL A 163 1.793 -3.429 2.118 1.00 0.00 C ATOM 557 C VAL A 163 2.522 -4.485 2.940 1.00 0.00 C ATOM 558 O VAL A 163 3.552 -5.013 2.520 1.00 0.00 O ATOM 559 CB VAL A 163 2.375 -2.041 2.447 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.843 -1.967 2.053 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.574 -0.949 1.754 1.00 0.00 C ATOM 0 H VAL A 163 -0.022 -2.639 2.800 1.00 0.00 H new ATOM 0 HA VAL A 163 1.940 -3.627 1.056 1.00 0.00 H new ATOM 0 HB VAL A 163 2.305 -1.885 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.235 -0.979 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.405 -2.724 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.942 -2.146 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.999 0.025 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.609 -1.101 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.538 -0.987 2.092 1.00 0.00 H new ATOM 571 N GLU A 164 1.978 -4.793 4.115 1.00 0.00 N ATOM 572 CA GLU A 164 2.578 -5.790 4.992 1.00 0.00 C ATOM 573 C GLU A 164 2.519 -7.174 4.357 1.00 0.00 C ATOM 574 O GLU A 164 3.520 -7.888 4.308 1.00 0.00 O ATOM 575 CB GLU A 164 1.866 -5.806 6.347 1.00 0.00 C ATOM 576 CG GLU A 164 2.366 -4.743 7.311 1.00 0.00 C ATOM 577 CD GLU A 164 3.676 -5.123 7.973 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.773 -6.257 8.487 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.604 -4.288 7.977 1.00 0.00 O ATOM 0 H GLU A 164 1.126 -4.367 4.479 1.00 0.00 H new ATOM 0 HA GLU A 164 3.624 -5.522 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.797 -5.666 6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.994 -6.787 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.494 -3.803 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.612 -4.571 8.079 1.00 0.00 H new ATOM 586 N LYS A 165 1.342 -7.547 3.859 1.00 0.00 N ATOM 587 CA LYS A 165 1.169 -8.844 3.218 1.00 0.00 C ATOM 588 C LYS A 165 2.046 -8.942 1.975 1.00 0.00 C ATOM 589 O LYS A 165 2.668 -9.972 1.720 1.00 0.00 O ATOM 590 CB LYS A 165 -0.297 -9.069 2.840 1.00 0.00 C ATOM 591 CG LYS A 165 -1.256 -8.977 4.017 1.00 0.00 C ATOM 592 CD LYS A 165 -0.846 -9.902 5.152 1.00 0.00 C ATOM 593 CE LYS A 165 -1.951 -10.885 5.501 1.00 0.00 C ATOM 594 NZ LYS A 165 -1.784 -12.182 4.789 1.00 0.00 N ATOM 0 H LYS A 165 0.500 -6.972 3.888 1.00 0.00 H new ATOM 0 HA LYS A 165 1.469 -9.616 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.586 -8.333 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.397 -10.051 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.289 -7.950 4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.263 -9.231 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 165 0.053 -10.450 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.594 -9.310 6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -1.956 -11.059 6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.917 -10.451 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -2.557 -12.825 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -1.805 -12.019 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -0.873 -12.608 5.054 1.00 0.00 H new ATOM 608 N TRP A 166 2.095 -7.856 1.210 1.00 0.00 N ATOM 609 CA TRP A 166 2.899 -7.810 -0.004 1.00 0.00 C ATOM 610 C TRP A 166 4.381 -7.947 0.327 1.00 0.00 C ATOM 611 O TRP A 166 5.116 -8.666 -0.350 1.00 0.00 O ATOM 612 CB TRP A 166 2.654 -6.498 -0.752 1.00 0.00 C ATOM 613 CG TRP A 166 3.238 -6.482 -2.132 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.339 -5.790 -2.547 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.749 -7.185 -3.279 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.565 -6.023 -3.883 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.602 -6.876 -4.355 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.672 -8.049 -3.500 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.412 -7.400 -5.630 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.485 -8.568 -4.767 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.350 -8.242 -5.818 1.00 0.00 C ATOM 0 H TRP A 166 1.586 -6.995 1.411 1.00 0.00 H new ATOM 0 HA TRP A 166 2.604 -8.644 -0.640 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.581 -6.321 -0.818 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.078 -5.675 -0.176 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.944 -5.153 -1.918 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.326 -5.625 -4.434 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.999 -8.306 -2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.079 -7.151 -6.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.657 -9.237 -4.949 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.176 -8.664 -6.797 1.00 0.00 H new ATOM 632 N LEU A 167 4.812 -7.252 1.374 1.00 0.00 N ATOM 633 CA LEU A 167 6.206 -7.294 1.799 1.00 0.00 C ATOM 634 C LEU A 167 6.608 -8.706 2.213 1.00 0.00 C ATOM 635 O LEU A 167 7.732 -9.142 1.961 1.00 0.00 O ATOM 636 CB LEU A 167 6.436 -6.326 2.960 1.00 0.00 C ATOM 637 CG LEU A 167 6.587 -4.857 2.558 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.233 -3.946 3.724 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.001 -4.581 2.072 1.00 0.00 C ATOM 0 H LEU A 167 4.215 -6.652 1.944 1.00 0.00 H new ATOM 0 HA LEU A 167 6.826 -6.993 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.602 -6.413 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.333 -6.634 3.498 1.00 0.00 H new ATOM 0 HG LEU A 167 5.897 -4.650 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.346 -2.905 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.201 -4.126 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.898 -4.153 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.091 -3.532 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.710 -4.804 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.218 -5.209 1.208 1.00 0.00 H new ATOM 651 N ALA A 168 5.682 -9.414 2.849 1.00 0.00 N ATOM 652 CA ALA A 168 5.937 -10.777 3.300 1.00 0.00 C ATOM 653 C ALA A 168 5.795 -11.772 2.153 1.00 0.00 C ATOM 654 O ALA A 168 6.510 -12.772 2.095 1.00 0.00 O ATOM 655 CB ALA A 168 4.995 -11.141 4.438 1.00 0.00 C ATOM 0 H ALA A 168 4.747 -9.067 3.064 1.00 0.00 H new ATOM 0 HA ALA A 168 6.964 -10.827 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.196 -12.161 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.149 -10.456 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.963 -11.067 4.094 1.00 0.00 H new ATOM 661 N LYS A 169 4.867 -11.491 1.245 1.00 0.00 N ATOM 662 CA LYS A 169 4.631 -12.363 0.100 1.00 0.00 C ATOM 663 C LYS A 169 5.800 -12.305 -0.877 1.00 0.00 C ATOM 664 O LYS A 169 6.122 -13.295 -1.536 1.00 0.00 O ATOM 665 CB LYS A 169 3.335 -11.967 -0.612 1.00 0.00 C ATOM 666 CG LYS A 169 2.605 -13.142 -1.245 1.00 0.00 C ATOM 667 CD LYS A 169 1.859 -13.964 -0.204 1.00 0.00 C ATOM 668 CE LYS A 169 0.353 -13.849 -0.376 1.00 0.00 C ATOM 669 NZ LYS A 169 -0.227 -12.789 0.494 1.00 0.00 N ATOM 0 H LYS A 169 4.266 -10.667 1.279 1.00 0.00 H new ATOM 0 HA LYS A 169 4.537 -13.385 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.672 -11.480 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.564 -11.233 -1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 169 1.901 -12.774 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.321 -13.777 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.156 -15.010 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.139 -13.628 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 169 0.123 -13.629 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -0.113 -14.806 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -1.255 -12.743 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -0.030 -13.011 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.199 -11.871 0.253 1.00 0.00 H new ATOM 683 N ALA A 170 6.432 -11.140 -0.968 1.00 0.00 N ATOM 684 CA ALA A 170 7.566 -10.953 -1.864 1.00 0.00 C ATOM 685 C ALA A 170 8.872 -10.848 -1.084 1.00 0.00 C ATOM 686 O ALA A 170 9.056 -9.838 -0.373 1.00 0.00 O ATOM 687 CB ALA A 170 7.361 -9.714 -2.722 1.00 0.00 C ATOM 688 OXT ALA A 170 9.699 -11.777 -1.189 1.00 0.00 O ATOM 0 H ALA A 170 6.178 -10.311 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 170 7.631 -11.826 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.215 -9.586 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.454 -9.828 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.267 -8.838 -2.080 1.00 0.00 H new TER 694 ALA A 170