USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=7 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 Set 1.1: A 152 THR OG1 : rot -5:sc= 0.11 USER MOD Set 1.2: A 159 THR OG1 : rot -22:sc= -0.106! USER MOD Single : A 126 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.0097) USER MOD Single : A 127 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.1!) USER MOD Single : A 128 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.2!) USER MOD Single : A 132 SER OG : rot -140:sc= -4.49! USER MOD Single : A 142 HIS : no HE2:sc= -8.25! C(o=-8.3!,f=-9.5!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -159:sc= -0.0856 (180deg=-0.404) USER MOD Single : A 165 LYS NZ :NH3+ 164:sc= -0.57 (180deg=-0.841) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -4.037 9.246 -11.364 1.00 0.00 N ATOM 2 CA GLN A 126 -4.553 10.620 -11.603 1.00 0.00 C ATOM 3 C GLN A 126 -6.056 10.696 -11.359 1.00 0.00 C ATOM 4 O GLN A 126 -6.576 11.731 -10.942 1.00 0.00 O ATOM 5 CB GLN A 126 -4.231 11.016 -13.044 1.00 0.00 C ATOM 6 CG GLN A 126 -4.384 12.505 -13.315 1.00 0.00 C ATOM 7 CD GLN A 126 -3.051 13.213 -13.456 1.00 0.00 C ATOM 8 OE1 GLN A 126 -2.878 14.068 -14.325 1.00 0.00 O ATOM 9 NE2 GLN A 126 -2.099 12.859 -12.602 1.00 0.00 N ATOM 0 HA GLN A 126 -4.074 11.308 -10.907 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -3.209 10.716 -13.274 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -4.885 10.463 -13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.964 12.647 -14.227 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.950 12.962 -12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -2.286 12.146 -11.897 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -1.181 13.300 -12.650 1.00 0.00 H new ATOM 20 N ASN A 127 -6.750 9.593 -11.624 1.00 0.00 N ATOM 21 CA ASN A 127 -8.196 9.536 -11.436 1.00 0.00 C ATOM 22 C ASN A 127 -8.564 8.545 -10.335 1.00 0.00 C ATOM 23 O ASN A 127 -9.548 7.816 -10.449 1.00 0.00 O ATOM 24 CB ASN A 127 -8.885 9.141 -12.744 1.00 0.00 C ATOM 25 CG ASN A 127 -9.187 10.339 -13.624 1.00 0.00 C ATOM 26 OD1 ASN A 127 -8.959 11.483 -13.234 1.00 0.00 O ATOM 27 ND2 ASN A 127 -9.703 10.078 -14.820 1.00 0.00 N ATOM 0 H ASN A 127 -6.335 8.728 -11.969 1.00 0.00 H new ATOM 0 HA ASN A 127 -8.538 10.527 -11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.249 8.444 -13.290 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -9.813 8.616 -12.518 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -9.927 10.843 -15.457 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.875 9.113 -15.101 1.00 0.00 H new ATOM 34 N ASN A 128 -7.768 8.525 -9.272 1.00 0.00 N ATOM 35 CA ASN A 128 -8.016 7.621 -8.153 1.00 0.00 C ATOM 36 C ASN A 128 -7.152 7.988 -6.951 1.00 0.00 C ATOM 37 O ASN A 128 -6.067 8.549 -7.099 1.00 0.00 O ATOM 38 CB ASN A 128 -7.742 6.174 -8.572 1.00 0.00 C ATOM 39 CG ASN A 128 -9.010 5.434 -8.955 1.00 0.00 C ATOM 40 OD1 ASN A 128 -9.365 5.355 -10.130 1.00 0.00 O ATOM 41 ND2 ASN A 128 -9.698 4.886 -7.960 1.00 0.00 N ATOM 0 H ASN A 128 -6.948 9.122 -9.161 1.00 0.00 H new ATOM 0 HA ASN A 128 -9.063 7.718 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -7.051 6.167 -9.415 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -7.251 5.648 -7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -10.558 4.374 -8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -9.366 4.977 -7.000 1.00 0.00 H new ATOM 48 N ASP A 129 -7.644 7.666 -5.758 1.00 0.00 N ATOM 49 CA ASP A 129 -6.922 7.958 -4.526 1.00 0.00 C ATOM 50 C ASP A 129 -6.921 6.748 -3.597 1.00 0.00 C ATOM 51 O ASP A 129 -7.797 6.607 -2.744 1.00 0.00 O ATOM 52 CB ASP A 129 -7.548 9.159 -3.815 1.00 0.00 C ATOM 53 CG ASP A 129 -9.016 8.946 -3.503 1.00 0.00 C ATOM 54 OD1 ASP A 129 -9.637 8.070 -4.141 1.00 0.00 O ATOM 55 OD2 ASP A 129 -9.543 9.652 -2.618 1.00 0.00 O ATOM 0 H ASP A 129 -8.542 7.202 -5.619 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.891 8.196 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.007 9.352 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.437 10.046 -4.439 1.00 0.00 H new ATOM 60 N ALA A 130 -5.933 5.875 -3.771 1.00 0.00 N ATOM 61 CA ALA A 130 -5.822 4.676 -2.949 1.00 0.00 C ATOM 62 C ALA A 130 -4.623 4.758 -2.010 1.00 0.00 C ATOM 63 O ALA A 130 -4.626 4.167 -0.930 1.00 0.00 O ATOM 64 CB ALA A 130 -5.716 3.442 -3.833 1.00 0.00 C ATOM 0 H ALA A 130 -5.200 5.976 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 130 -6.722 4.601 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.634 2.553 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.605 3.365 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -4.833 3.523 -4.467 1.00 0.00 H new ATOM 70 N LEU A 131 -3.598 5.492 -2.429 1.00 0.00 N ATOM 71 CA LEU A 131 -2.388 5.648 -1.629 1.00 0.00 C ATOM 72 C LEU A 131 -2.636 6.555 -0.426 1.00 0.00 C ATOM 73 O LEU A 131 -3.060 7.701 -0.577 1.00 0.00 O ATOM 74 CB LEU A 131 -1.257 6.219 -2.486 1.00 0.00 C ATOM 75 CG LEU A 131 -0.333 5.176 -3.117 1.00 0.00 C ATOM 76 CD1 LEU A 131 0.033 5.574 -4.539 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.921 4.996 -2.274 1.00 0.00 C ATOM 0 H LEU A 131 -3.581 5.989 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.099 4.663 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.694 6.824 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.657 6.888 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.864 4.225 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.691 4.819 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.873 5.652 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.544 6.537 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.567 4.250 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 131 1.453 5.945 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.643 4.663 -1.274 1.00 0.00 H new ATOM 89 N SER A 132 -2.361 6.036 0.766 1.00 0.00 N ATOM 90 CA SER A 132 -2.544 6.801 1.995 1.00 0.00 C ATOM 91 C SER A 132 -1.347 7.718 2.232 1.00 0.00 C ATOM 92 O SER A 132 -0.255 7.460 1.731 1.00 0.00 O ATOM 93 CB SER A 132 -2.726 5.857 3.185 1.00 0.00 C ATOM 94 OG SER A 132 -3.481 4.715 2.819 1.00 0.00 O ATOM 0 H SER A 132 -2.011 5.089 0.908 1.00 0.00 H new ATOM 0 HA SER A 132 -3.440 7.413 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.751 5.547 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 132 -3.227 6.383 3.997 1.00 0.00 H new ATOM 0 HG SER A 132 -4.099 4.486 3.544 1.00 0.00 H new ATOM 100 N PRO A 133 -1.534 8.806 2.999 1.00 0.00 N ATOM 101 CA PRO A 133 -0.459 9.761 3.291 1.00 0.00 C ATOM 102 C PRO A 133 0.801 9.083 3.823 1.00 0.00 C ATOM 103 O PRO A 133 1.886 9.247 3.265 1.00 0.00 O ATOM 104 CB PRO A 133 -1.067 10.686 4.359 1.00 0.00 C ATOM 105 CG PRO A 133 -2.330 10.020 4.801 1.00 0.00 C ATOM 106 CD PRO A 133 -2.795 9.197 3.637 1.00 0.00 C ATOM 0 HA PRO A 133 -0.137 10.287 2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.382 10.821 5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.269 11.676 3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.155 9.394 5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -3.082 10.757 5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.373 8.330 3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.430 9.771 2.962 1.00 0.00 H new ATOM 114 N ALA A 134 0.654 8.326 4.904 1.00 0.00 N ATOM 115 CA ALA A 134 1.783 7.630 5.509 1.00 0.00 C ATOM 116 C ALA A 134 2.277 6.497 4.615 1.00 0.00 C ATOM 117 O ALA A 134 3.480 6.360 4.364 1.00 0.00 O ATOM 118 CB ALA A 134 1.398 7.093 6.879 1.00 0.00 C ATOM 0 H ALA A 134 -0.236 8.179 5.380 1.00 0.00 H new ATOM 0 HA ALA A 134 2.597 8.345 5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.250 6.576 7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.103 7.920 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.565 6.398 6.776 1.00 0.00 H new ATOM 124 N ILE A 135 1.345 5.680 4.134 1.00 0.00 N ATOM 125 CA ILE A 135 1.702 4.563 3.276 1.00 0.00 C ATOM 126 C ILE A 135 2.444 5.039 2.036 1.00 0.00 C ATOM 127 O ILE A 135 3.295 4.331 1.515 1.00 0.00 O ATOM 128 CB ILE A 135 0.469 3.745 2.845 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.212 3.134 4.072 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.881 2.655 1.859 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.702 2.934 3.900 1.00 0.00 C ATOM 0 H ILE A 135 0.347 5.771 4.323 1.00 0.00 H new ATOM 0 HA ILE A 135 2.354 3.919 3.866 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.241 4.407 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.252 2.173 4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.037 3.779 4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.002 2.083 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.332 3.112 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.603 1.990 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.118 2.498 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.178 3.895 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.885 2.265 3.059 1.00 0.00 H new ATOM 143 N ARG A 136 2.132 6.241 1.566 1.00 0.00 N ATOM 144 CA ARG A 136 2.807 6.776 0.391 1.00 0.00 C ATOM 145 C ARG A 136 4.301 6.867 0.663 1.00 0.00 C ATOM 146 O ARG A 136 5.125 6.617 -0.216 1.00 0.00 O ATOM 147 CB ARG A 136 2.226 8.144 0.000 1.00 0.00 C ATOM 148 CG ARG A 136 3.133 9.318 0.322 1.00 0.00 C ATOM 149 CD ARG A 136 2.505 10.641 -0.087 1.00 0.00 C ATOM 150 NE ARG A 136 2.652 11.661 0.948 1.00 0.00 N ATOM 151 CZ ARG A 136 3.764 12.367 1.141 1.00 0.00 C ATOM 152 NH1 ARG A 136 4.828 12.166 0.374 1.00 0.00 N ATOM 153 NH2 ARG A 136 3.812 13.277 2.105 1.00 0.00 N ATOM 0 H ARG A 136 1.427 6.855 1.973 1.00 0.00 H new ATOM 0 HA ARG A 136 2.645 6.104 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.015 8.145 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.274 8.283 0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.346 9.331 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.086 9.193 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.968 10.992 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.447 10.490 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 136 1.856 11.843 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 136 4.797 11.467 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 136 5.677 12.710 0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.997 13.435 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 136 4.664 13.818 2.253 1.00 0.00 H new ATOM 167 N ARG A 137 4.637 7.198 1.903 1.00 0.00 N ATOM 168 CA ARG A 137 6.026 7.287 2.312 1.00 0.00 C ATOM 169 C ARG A 137 6.617 5.888 2.372 1.00 0.00 C ATOM 170 O ARG A 137 7.747 5.656 1.942 1.00 0.00 O ATOM 171 CB ARG A 137 6.140 7.967 3.676 1.00 0.00 C ATOM 172 CG ARG A 137 7.569 8.293 4.079 1.00 0.00 C ATOM 173 CD ARG A 137 7.615 9.384 5.137 1.00 0.00 C ATOM 174 NE ARG A 137 7.405 8.855 6.484 1.00 0.00 N ATOM 175 CZ ARG A 137 6.209 8.736 7.060 1.00 0.00 C ATOM 176 NH1 ARG A 137 5.109 9.102 6.415 1.00 0.00 N ATOM 177 NH2 ARG A 137 6.115 8.246 8.289 1.00 0.00 N ATOM 0 H ARG A 137 3.964 7.409 2.640 1.00 0.00 H new ATOM 0 HA ARG A 137 6.577 7.886 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.557 8.888 3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.697 7.320 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 137 8.055 7.395 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.132 8.612 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.579 9.890 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.853 10.132 4.919 1.00 0.00 H new ATOM 0 HE ARG A 137 8.224 8.559 7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 137 5.174 9.479 5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 137 4.199 9.007 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 137 6.957 7.962 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 137 5.201 8.154 8.733 1.00 0.00 H new ATOM 191 N LEU A 138 5.831 4.955 2.900 1.00 0.00 N ATOM 192 CA LEU A 138 6.266 3.568 3.008 1.00 0.00 C ATOM 193 C LEU A 138 6.526 2.968 1.627 1.00 0.00 C ATOM 194 O LEU A 138 7.604 2.436 1.366 1.00 0.00 O ATOM 195 CB LEU A 138 5.217 2.729 3.742 1.00 0.00 C ATOM 196 CG LEU A 138 5.601 1.262 3.936 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.814 1.145 4.843 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.433 0.470 4.504 1.00 0.00 C ATOM 0 H LEU A 138 4.893 5.134 3.258 1.00 0.00 H new ATOM 0 HA LEU A 138 7.195 3.556 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.032 3.175 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.280 2.776 3.188 1.00 0.00 H new ATOM 0 HG LEU A 138 5.856 0.844 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.073 0.094 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.655 1.675 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.585 1.582 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.728 -0.571 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.144 0.888 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.588 0.524 3.817 1.00 0.00 H new ATOM 210 N LEU A 139 5.538 3.066 0.741 1.00 0.00 N ATOM 211 CA LEU A 139 5.670 2.540 -0.611 1.00 0.00 C ATOM 212 C LEU A 139 6.815 3.233 -1.327 1.00 0.00 C ATOM 213 O LEU A 139 7.538 2.622 -2.115 1.00 0.00 O ATOM 214 CB LEU A 139 4.368 2.731 -1.387 1.00 0.00 C ATOM 215 CG LEU A 139 3.292 1.680 -1.111 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.911 2.313 -1.121 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.373 0.553 -2.129 1.00 0.00 C ATOM 0 H LEU A 139 4.638 3.505 0.937 1.00 0.00 H new ATOM 0 HA LEU A 139 5.883 1.473 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.963 3.715 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.594 2.727 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 139 3.468 1.260 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.159 1.549 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.858 3.083 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.724 2.762 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.600 -0.185 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.224 0.956 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.353 0.079 -2.070 1.00 0.00 H new ATOM 229 N ALA A 140 6.981 4.514 -1.027 1.00 0.00 N ATOM 230 CA ALA A 140 8.052 5.302 -1.619 1.00 0.00 C ATOM 231 C ALA A 140 9.404 4.750 -1.183 1.00 0.00 C ATOM 232 O ALA A 140 10.365 4.747 -1.953 1.00 0.00 O ATOM 233 CB ALA A 140 7.918 6.765 -1.222 1.00 0.00 C ATOM 0 H ALA A 140 6.387 5.029 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 140 7.980 5.236 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.727 7.340 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.960 7.150 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.971 6.854 -0.137 1.00 0.00 H new ATOM 239 N GLU A 141 9.462 4.274 0.057 1.00 0.00 N ATOM 240 CA GLU A 141 10.683 3.704 0.605 1.00 0.00 C ATOM 241 C GLU A 141 10.943 2.328 0.009 1.00 0.00 C ATOM 242 O GLU A 141 12.044 2.034 -0.458 1.00 0.00 O ATOM 243 CB GLU A 141 10.587 3.601 2.128 1.00 0.00 C ATOM 244 CG GLU A 141 10.727 4.936 2.841 1.00 0.00 C ATOM 245 CD GLU A 141 10.827 4.788 4.346 1.00 0.00 C ATOM 246 OE1 GLU A 141 10.408 3.734 4.868 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.325 5.726 5.003 1.00 0.00 O ATOM 0 H GLU A 141 8.672 4.273 0.702 1.00 0.00 H new ATOM 0 HA GLU A 141 11.513 4.362 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.628 3.156 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.362 2.924 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.614 5.450 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.870 5.565 2.598 1.00 0.00 H new ATOM 254 N HIS A 142 9.912 1.492 0.020 1.00 0.00 N ATOM 255 CA HIS A 142 10.009 0.145 -0.525 1.00 0.00 C ATOM 256 C HIS A 142 10.104 0.183 -2.050 1.00 0.00 C ATOM 257 O HIS A 142 10.525 -0.787 -2.679 1.00 0.00 O ATOM 258 CB HIS A 142 8.798 -0.691 -0.103 1.00 0.00 C ATOM 259 CG HIS A 142 8.768 -1.023 1.358 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.325 -2.171 1.882 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.234 -0.356 2.409 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.130 -2.196 3.189 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.473 -1.106 3.533 1.00 0.00 N ATOM 0 H HIS A 142 8.996 1.725 0.402 1.00 0.00 H new ATOM 0 HA HIS A 142 10.915 -0.315 -0.129 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.888 -0.150 -0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.791 -1.618 -0.676 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.811 -2.889 1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.716 0.591 2.370 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.454 -2.977 3.861 1.00 0.00 H new ATOM 272 N ASN A 143 9.705 1.311 -2.638 1.00 0.00 N ATOM 273 CA ASN A 143 9.741 1.477 -4.087 1.00 0.00 C ATOM 274 C ASN A 143 8.768 0.518 -4.765 1.00 0.00 C ATOM 275 O ASN A 143 9.165 -0.316 -5.580 1.00 0.00 O ATOM 276 CB ASN A 143 11.160 1.255 -4.616 1.00 0.00 C ATOM 277 CG ASN A 143 11.922 2.554 -4.790 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.018 3.358 -3.864 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.467 2.765 -5.982 1.00 0.00 N ATOM 0 H ASN A 143 9.353 2.123 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 143 9.437 2.497 -4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.704 0.607 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.111 0.735 -5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.991 3.622 -6.159 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.362 2.070 -6.721 1.00 0.00 H new ATOM 286 N LEU A 144 7.489 0.640 -4.423 1.00 0.00 N ATOM 287 CA LEU A 144 6.459 -0.219 -5.001 1.00 0.00 C ATOM 288 C LEU A 144 5.327 0.601 -5.605 1.00 0.00 C ATOM 289 O LEU A 144 5.336 1.832 -5.554 1.00 0.00 O ATOM 290 CB LEU A 144 5.896 -1.165 -3.939 1.00 0.00 C ATOM 291 CG LEU A 144 6.927 -1.735 -2.968 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.237 -2.473 -1.831 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.890 -2.656 -3.700 1.00 0.00 C ATOM 0 H LEU A 144 7.141 1.323 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 144 6.925 -0.802 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.136 -0.633 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.396 -1.993 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 144 7.497 -0.909 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.987 -2.873 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.586 -1.784 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.642 -3.292 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.619 -3.055 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.335 -3.478 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.407 -2.096 -4.479 1.00 0.00 H new ATOM 305 N ASP A 145 4.350 -0.096 -6.173 1.00 0.00 N ATOM 306 CA ASP A 145 3.198 0.552 -6.788 1.00 0.00 C ATOM 307 C ASP A 145 1.900 0.018 -6.189 1.00 0.00 C ATOM 308 O ASP A 145 1.693 -1.193 -6.116 1.00 0.00 O ATOM 309 CB ASP A 145 3.207 0.328 -8.302 1.00 0.00 C ATOM 310 CG ASP A 145 2.134 1.131 -9.011 1.00 0.00 C ATOM 311 OD1 ASP A 145 1.170 1.557 -8.341 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.259 1.335 -10.237 1.00 0.00 O ATOM 0 H ASP A 145 4.333 -1.115 -6.220 1.00 0.00 H new ATOM 0 HA ASP A 145 3.260 1.622 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.184 0.600 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.061 -0.732 -8.511 1.00 0.00 H new ATOM 317 N ALA A 146 1.032 0.928 -5.758 1.00 0.00 N ATOM 318 CA ALA A 146 -0.244 0.547 -5.161 1.00 0.00 C ATOM 319 C ALA A 146 -1.004 -0.437 -6.046 1.00 0.00 C ATOM 320 O ALA A 146 -1.519 -1.447 -5.567 1.00 0.00 O ATOM 321 CB ALA A 146 -1.090 1.783 -4.898 1.00 0.00 C ATOM 0 H ALA A 146 1.189 1.935 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.035 0.049 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.039 1.486 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.561 2.447 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.277 2.303 -5.838 1.00 0.00 H new ATOM 327 N SER A 147 -1.069 -0.134 -7.338 1.00 0.00 N ATOM 328 CA SER A 147 -1.766 -0.990 -8.291 1.00 0.00 C ATOM 329 C SER A 147 -1.159 -2.391 -8.330 1.00 0.00 C ATOM 330 O SER A 147 -1.793 -3.337 -8.798 1.00 0.00 O ATOM 331 CB SER A 147 -1.727 -0.367 -9.688 1.00 0.00 C ATOM 332 OG SER A 147 -0.408 -0.361 -10.206 1.00 0.00 O ATOM 0 H SER A 147 -0.647 0.699 -7.750 1.00 0.00 H new ATOM 0 HA SER A 147 -2.802 -1.078 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 147 -2.382 -0.925 -10.357 1.00 0.00 H new ATOM 0 HB3 SER A 147 -2.109 0.653 -9.646 1.00 0.00 H new ATOM 0 HG SER A 147 -0.409 0.041 -11.100 1.00 0.00 H new ATOM 338 N ALA A 148 0.072 -2.521 -7.842 1.00 0.00 N ATOM 339 CA ALA A 148 0.756 -3.809 -7.832 1.00 0.00 C ATOM 340 C ALA A 148 0.516 -4.557 -6.522 1.00 0.00 C ATOM 341 O ALA A 148 0.666 -5.778 -6.462 1.00 0.00 O ATOM 342 CB ALA A 148 2.246 -3.615 -8.063 1.00 0.00 C ATOM 0 H ALA A 148 0.614 -1.752 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 148 0.346 -4.413 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.745 -4.584 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.405 -3.135 -9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.658 -2.987 -7.273 1.00 0.00 H new ATOM 348 N ILE A 149 0.149 -3.822 -5.477 1.00 0.00 N ATOM 349 CA ILE A 149 -0.104 -4.427 -4.172 1.00 0.00 C ATOM 350 C ILE A 149 -1.584 -4.345 -3.809 1.00 0.00 C ATOM 351 O ILE A 149 -2.352 -3.626 -4.449 1.00 0.00 O ATOM 352 CB ILE A 149 0.736 -3.752 -3.065 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.100 -3.323 -3.618 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.909 -4.695 -1.880 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.025 -2.739 -2.573 1.00 0.00 C ATOM 0 H ILE A 149 0.020 -2.811 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 149 0.189 -5.475 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 149 0.209 -2.862 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.583 -4.186 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.947 -2.587 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.503 -4.205 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.069 -4.954 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.417 -5.602 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.970 -2.459 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.563 -1.856 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.210 -3.480 -1.795 1.00 0.00 H new ATOM 367 N LYS A 150 -1.980 -5.091 -2.780 1.00 0.00 N ATOM 368 CA LYS A 150 -3.370 -5.113 -2.332 1.00 0.00 C ATOM 369 C LYS A 150 -3.888 -3.702 -2.062 1.00 0.00 C ATOM 370 O LYS A 150 -3.143 -2.732 -2.144 1.00 0.00 O ATOM 371 CB LYS A 150 -3.507 -5.971 -1.074 1.00 0.00 C ATOM 372 CG LYS A 150 -3.239 -7.448 -1.314 1.00 0.00 C ATOM 373 CD LYS A 150 -4.308 -8.320 -0.677 1.00 0.00 C ATOM 374 CE LYS A 150 -4.372 -9.689 -1.333 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.877 -9.613 -2.732 1.00 0.00 N ATOM 0 H LYS A 150 -1.356 -5.690 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.972 -5.548 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.815 -5.603 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.513 -5.853 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.201 -7.642 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -2.263 -7.712 -0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -4.100 -8.434 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.278 -7.829 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.380 -10.140 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.020 -10.342 -0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.240 -10.544 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.642 -8.910 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.102 -9.332 -3.366 1.00 0.00 H new ATOM 389 N GLY A 151 -5.174 -3.604 -1.745 1.00 0.00 N ATOM 390 CA GLY A 151 -5.784 -2.317 -1.469 1.00 0.00 C ATOM 391 C GLY A 151 -7.126 -2.459 -0.778 1.00 0.00 C ATOM 392 O GLY A 151 -8.150 -2.023 -1.302 1.00 0.00 O ATOM 0 H GLY A 151 -5.809 -4.399 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.115 -1.726 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.914 -1.770 -2.403 1.00 0.00 H new ATOM 396 N THR A 152 -7.121 -3.076 0.400 1.00 0.00 N ATOM 397 CA THR A 152 -8.347 -3.283 1.164 1.00 0.00 C ATOM 398 C THR A 152 -8.697 -2.043 1.981 1.00 0.00 C ATOM 399 O THR A 152 -8.823 -2.104 3.204 1.00 0.00 O ATOM 400 CB THR A 152 -8.199 -4.495 2.086 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.133 -4.305 2.999 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.940 -5.786 1.340 1.00 0.00 C ATOM 0 H THR A 152 -6.280 -3.442 0.847 1.00 0.00 H new ATOM 0 HA THR A 152 -9.158 -3.469 0.460 1.00 0.00 H new ATOM 0 HB THR A 152 -9.153 -4.579 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.670 -3.467 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.845 -6.605 2.053 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.770 -5.988 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.018 -5.696 0.766 1.00 0.00 H new ATOM 410 N GLY A 153 -8.854 -0.919 1.292 1.00 0.00 N ATOM 411 CA GLY A 153 -9.189 0.324 1.963 1.00 0.00 C ATOM 412 C GLY A 153 -10.625 0.745 1.719 1.00 0.00 C ATOM 413 O GLY A 153 -11.454 -0.066 1.306 1.00 0.00 O ATOM 0 H GLY A 153 -8.755 -0.846 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.024 0.211 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.519 1.112 1.618 1.00 0.00 H new ATOM 417 N VAL A 154 -10.918 2.017 1.972 1.00 0.00 N ATOM 418 CA VAL A 154 -12.262 2.545 1.772 1.00 0.00 C ATOM 419 C VAL A 154 -12.659 2.471 0.303 1.00 0.00 C ATOM 420 O VAL A 154 -12.551 3.453 -0.431 1.00 0.00 O ATOM 421 CB VAL A 154 -12.370 4.006 2.248 1.00 0.00 C ATOM 422 CG1 VAL A 154 -13.817 4.470 2.226 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.775 4.160 3.641 1.00 0.00 C ATOM 0 H VAL A 154 -10.243 2.700 2.316 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.939 1.930 2.365 1.00 0.00 H new ATOM 0 HB VAL A 154 -11.801 4.634 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -13.873 5.504 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.206 4.400 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.412 3.839 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.860 5.199 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.314 3.520 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.724 3.872 3.622 1.00 0.00 H new ATOM 433 N GLY A 155 -13.112 1.296 -0.122 1.00 0.00 N ATOM 434 CA GLY A 155 -13.510 1.112 -1.504 1.00 0.00 C ATOM 435 C GLY A 155 -12.403 0.510 -2.347 1.00 0.00 C ATOM 436 O GLY A 155 -12.660 -0.058 -3.408 1.00 0.00 O ATOM 0 H GLY A 155 -13.210 0.469 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.387 0.465 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.803 2.073 -1.926 1.00 0.00 H new ATOM 440 N GLY A 156 -11.165 0.632 -1.872 1.00 0.00 N ATOM 441 CA GLY A 156 -10.034 0.090 -2.598 1.00 0.00 C ATOM 442 C GLY A 156 -8.788 0.941 -2.448 1.00 0.00 C ATOM 443 O GLY A 156 -8.192 1.359 -3.442 1.00 0.00 O ATOM 0 H GLY A 156 -10.928 1.098 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.827 -0.919 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.290 0.008 -3.654 1.00 0.00 H new ATOM 447 N ARG A 157 -8.392 1.203 -1.206 1.00 0.00 N ATOM 448 CA ARG A 157 -7.210 2.014 -0.936 1.00 0.00 C ATOM 449 C ARG A 157 -6.114 1.186 -0.264 1.00 0.00 C ATOM 450 O ARG A 157 -6.396 0.289 0.531 1.00 0.00 O ATOM 451 CB ARG A 157 -7.596 3.242 -0.086 1.00 0.00 C ATOM 452 CG ARG A 157 -7.254 3.150 1.401 1.00 0.00 C ATOM 453 CD ARG A 157 -6.221 4.194 1.804 1.00 0.00 C ATOM 454 NE ARG A 157 -6.607 4.901 3.024 1.00 0.00 N ATOM 455 CZ ARG A 157 -7.491 5.895 3.055 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.083 6.303 1.940 1.00 0.00 N ATOM 457 NH2 ARG A 157 -7.783 6.484 4.207 1.00 0.00 N ATOM 0 H ARG A 157 -8.872 0.866 -0.372 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.805 2.369 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.100 4.119 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.669 3.407 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -8.159 3.286 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.873 2.154 1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -5.256 3.710 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.095 4.912 0.993 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.174 4.616 3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.862 5.854 1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.760 7.066 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.330 6.175 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.460 7.246 4.233 1.00 0.00 H new ATOM 471 N LEU A 158 -4.864 1.498 -0.593 1.00 0.00 N ATOM 472 CA LEU A 158 -3.715 0.795 -0.030 1.00 0.00 C ATOM 473 C LEU A 158 -3.734 0.859 1.496 1.00 0.00 C ATOM 474 O LEU A 158 -4.021 1.905 2.077 1.00 0.00 O ATOM 475 CB LEU A 158 -2.420 1.422 -0.556 1.00 0.00 C ATOM 476 CG LEU A 158 -1.245 0.461 -0.741 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.819 -0.135 0.592 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.601 -0.636 -1.730 1.00 0.00 C ATOM 0 H LEU A 158 -4.620 2.238 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.766 -0.251 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.631 1.897 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.115 2.211 0.131 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.404 1.026 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.018 -0.815 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.515 0.665 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.654 -0.682 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.752 -1.309 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.459 -1.196 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.847 -0.191 -2.694 1.00 0.00 H new ATOM 490 N THR A 159 -3.425 -0.261 2.145 1.00 0.00 N ATOM 491 CA THR A 159 -3.408 -0.313 3.603 1.00 0.00 C ATOM 492 C THR A 159 -2.138 -0.984 4.120 1.00 0.00 C ATOM 493 O THR A 159 -1.478 -1.738 3.399 1.00 0.00 O ATOM 494 CB THR A 159 -4.638 -1.057 4.125 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.057 -2.047 3.205 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.819 -0.148 4.389 1.00 0.00 C ATOM 0 H THR A 159 -3.184 -1.140 1.687 1.00 0.00 H new ATOM 0 HA THR A 159 -3.426 0.713 3.971 1.00 0.00 H new ATOM 0 HB THR A 159 -4.324 -1.504 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.714 -1.831 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.658 -0.739 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.545 0.597 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.106 0.353 3.465 1.00 0.00 H new ATOM 504 N ARG A 160 -1.805 -0.712 5.380 1.00 0.00 N ATOM 505 CA ARG A 160 -0.619 -1.292 6.000 1.00 0.00 C ATOM 506 C ARG A 160 -0.666 -2.810 5.908 1.00 0.00 C ATOM 507 O ARG A 160 0.363 -3.467 5.749 1.00 0.00 O ATOM 508 CB ARG A 160 -0.515 -0.859 7.463 1.00 0.00 C ATOM 509 CG ARG A 160 0.872 -1.057 8.058 1.00 0.00 C ATOM 510 CD ARG A 160 1.435 0.239 8.624 1.00 0.00 C ATOM 511 NE ARG A 160 1.593 0.179 10.076 1.00 0.00 N ATOM 512 CZ ARG A 160 2.463 -0.615 10.694 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.253 -1.419 9.993 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.544 -0.606 12.018 1.00 0.00 N ATOM 0 H ARG A 160 -2.340 -0.094 5.990 1.00 0.00 H new ATOM 0 HA ARG A 160 0.261 -0.933 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.789 0.193 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -1.238 -1.422 8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.825 -1.808 8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.545 -1.441 7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.400 0.447 8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 160 0.773 1.065 8.365 1.00 0.00 H new ATOM 0 HE ARG A 160 1.002 0.781 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.195 -1.430 8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.918 -2.026 10.473 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.939 0.010 12.562 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.211 -1.215 12.492 1.00 0.00 H new ATOM 528 N GLU A 161 -1.872 -3.360 5.989 1.00 0.00 N ATOM 529 CA GLU A 161 -2.061 -4.799 5.894 1.00 0.00 C ATOM 530 C GLU A 161 -1.661 -5.282 4.507 1.00 0.00 C ATOM 531 O GLU A 161 -1.088 -6.360 4.350 1.00 0.00 O ATOM 532 CB GLU A 161 -3.517 -5.170 6.182 1.00 0.00 C ATOM 533 CG GLU A 161 -3.744 -6.666 6.328 1.00 0.00 C ATOM 534 CD GLU A 161 -5.039 -6.991 7.047 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.038 -7.006 8.296 1.00 0.00 O ATOM 536 OE2 GLU A 161 -6.055 -7.230 6.360 1.00 0.00 O ATOM 0 H GLU A 161 -2.733 -2.829 6.120 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.429 -5.285 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.837 -4.671 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.146 -4.792 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.756 -7.126 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.909 -7.105 6.874 1.00 0.00 H new ATOM 543 N ASP A 162 -1.962 -4.466 3.501 1.00 0.00 N ATOM 544 CA ASP A 162 -1.630 -4.796 2.122 1.00 0.00 C ATOM 545 C ASP A 162 -0.120 -4.868 1.940 1.00 0.00 C ATOM 546 O ASP A 162 0.407 -5.852 1.421 1.00 0.00 O ATOM 547 CB ASP A 162 -2.219 -3.756 1.169 1.00 0.00 C ATOM 548 CG ASP A 162 -3.734 -3.783 1.148 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.310 -4.878 1.318 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.343 -2.710 0.962 1.00 0.00 O ATOM 0 H ASP A 162 -2.436 -3.570 3.617 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.059 -5.771 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.880 -2.763 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.841 -3.935 0.162 1.00 0.00 H new ATOM 555 N VAL A 163 0.573 -3.819 2.375 1.00 0.00 N ATOM 556 CA VAL A 163 2.025 -3.770 2.261 1.00 0.00 C ATOM 557 C VAL A 163 2.672 -4.892 3.066 1.00 0.00 C ATOM 558 O VAL A 163 3.733 -5.397 2.703 1.00 0.00 O ATOM 559 CB VAL A 163 2.587 -2.419 2.739 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.075 -2.322 2.436 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.830 -1.268 2.096 1.00 0.00 C ATOM 0 H VAL A 163 0.154 -2.996 2.807 1.00 0.00 H new ATOM 0 HA VAL A 163 2.264 -3.895 1.205 1.00 0.00 H new ATOM 0 HB VAL A 163 2.454 -2.353 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.455 -1.360 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.604 -3.126 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.234 -2.410 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.241 -0.321 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.929 -1.328 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.776 -1.328 2.368 1.00 0.00 H new ATOM 571 N GLU A 164 2.021 -5.280 4.158 1.00 0.00 N ATOM 572 CA GLU A 164 2.530 -6.347 5.010 1.00 0.00 C ATOM 573 C GLU A 164 2.414 -7.694 4.302 1.00 0.00 C ATOM 574 O GLU A 164 3.368 -8.471 4.262 1.00 0.00 O ATOM 575 CB GLU A 164 1.778 -6.359 6.349 1.00 0.00 C ATOM 576 CG GLU A 164 0.872 -7.562 6.550 1.00 0.00 C ATOM 577 CD GLU A 164 0.161 -7.542 7.889 1.00 0.00 C ATOM 578 OE1 GLU A 164 0.770 -7.083 8.878 1.00 0.00 O ATOM 579 OE2 GLU A 164 -1.006 -7.984 7.948 1.00 0.00 O ATOM 0 H GLU A 164 1.141 -4.872 4.473 1.00 0.00 H new ATOM 0 HA GLU A 164 3.585 -6.165 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 164 2.505 -6.328 7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.178 -5.452 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 164 0.132 -7.592 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.463 -8.474 6.471 1.00 0.00 H new ATOM 586 N LYS A 165 1.240 -7.959 3.738 1.00 0.00 N ATOM 587 CA LYS A 165 1.001 -9.206 3.023 1.00 0.00 C ATOM 588 C LYS A 165 1.935 -9.321 1.824 1.00 0.00 C ATOM 589 O LYS A 165 2.419 -10.406 1.500 1.00 0.00 O ATOM 590 CB LYS A 165 -0.456 -9.284 2.561 1.00 0.00 C ATOM 591 CG LYS A 165 -1.397 -9.847 3.614 1.00 0.00 C ATOM 592 CD LYS A 165 -2.606 -8.949 3.824 1.00 0.00 C ATOM 593 CE LYS A 165 -3.827 -9.475 3.087 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.789 -8.387 2.759 1.00 0.00 N ATOM 0 H LYS A 165 0.440 -7.327 3.763 1.00 0.00 H new ATOM 0 HA LYS A 165 1.200 -10.035 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.793 -8.286 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.512 -9.904 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.729 -10.840 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.861 -9.963 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.826 -8.877 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.377 -7.942 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.511 -9.970 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.325 -10.227 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.459 -8.722 2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.311 -8.115 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -4.270 -7.563 2.394 1.00 0.00 H new ATOM 608 N TRP A 166 2.190 -8.190 1.172 1.00 0.00 N ATOM 609 CA TRP A 166 3.074 -8.156 0.013 1.00 0.00 C ATOM 610 C TRP A 166 4.530 -8.280 0.451 1.00 0.00 C ATOM 611 O TRP A 166 5.302 -9.042 -0.131 1.00 0.00 O ATOM 612 CB TRP A 166 2.866 -6.856 -0.771 1.00 0.00 C ATOM 613 CG TRP A 166 3.847 -6.664 -1.889 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.650 -6.931 -3.213 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.182 -6.162 -1.777 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.784 -6.632 -3.929 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.738 -6.158 -3.068 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.960 -5.716 -0.708 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.038 -5.727 -3.318 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.250 -5.288 -0.955 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.779 -5.297 -2.252 1.00 0.00 C ATOM 0 H TRP A 166 1.796 -7.285 1.428 1.00 0.00 H new ATOM 0 HA TRP A 166 2.833 -9.000 -0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.856 -6.846 -1.180 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.940 -6.012 -0.085 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.736 -7.321 -3.636 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.897 -6.745 -4.936 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.560 -5.706 0.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.447 -5.732 -4.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.861 -4.941 -0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.792 -4.958 -2.413 1.00 0.00 H new ATOM 632 N LEU A 167 4.894 -7.527 1.483 1.00 0.00 N ATOM 633 CA LEU A 167 6.256 -7.549 2.006 1.00 0.00 C ATOM 634 C LEU A 167 6.647 -8.958 2.436 1.00 0.00 C ATOM 635 O LEU A 167 7.799 -9.366 2.292 1.00 0.00 O ATOM 636 CB LEU A 167 6.385 -6.587 3.189 1.00 0.00 C ATOM 637 CG LEU A 167 6.705 -5.141 2.811 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.452 -4.210 3.987 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.144 -5.022 2.335 1.00 0.00 C ATOM 0 H LEU A 167 4.264 -6.893 1.975 1.00 0.00 H new ATOM 0 HA LEU A 167 6.931 -7.229 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.453 -6.602 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.166 -6.955 3.854 1.00 0.00 H new ATOM 0 HG LEU A 167 6.046 -4.846 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.686 -3.186 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.405 -4.273 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.084 -4.503 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.355 -3.986 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.818 -5.337 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.292 -5.657 1.462 1.00 0.00 H new ATOM 651 N ALA A 168 5.678 -9.696 2.965 1.00 0.00 N ATOM 652 CA ALA A 168 5.915 -11.061 3.418 1.00 0.00 C ATOM 653 C ALA A 168 5.804 -12.050 2.263 1.00 0.00 C ATOM 654 O ALA A 168 6.458 -13.093 2.262 1.00 0.00 O ATOM 655 CB ALA A 168 4.937 -11.427 4.524 1.00 0.00 C ATOM 0 H ALA A 168 4.719 -9.371 3.091 1.00 0.00 H new ATOM 0 HA ALA A 168 6.930 -11.115 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.125 -12.449 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.067 -10.746 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.917 -11.349 4.148 1.00 0.00 H new ATOM 661 N LYS A 169 4.973 -11.717 1.281 1.00 0.00 N ATOM 662 CA LYS A 169 4.776 -12.577 0.119 1.00 0.00 C ATOM 663 C LYS A 169 5.400 -11.959 -1.129 1.00 0.00 C ATOM 664 O LYS A 169 4.762 -11.874 -2.178 1.00 0.00 O ATOM 665 CB LYS A 169 3.285 -12.827 -0.110 1.00 0.00 C ATOM 666 CG LYS A 169 2.544 -13.280 1.139 1.00 0.00 C ATOM 667 CD LYS A 169 2.377 -14.791 1.170 1.00 0.00 C ATOM 668 CE LYS A 169 3.592 -15.473 1.777 1.00 0.00 C ATOM 669 NZ LYS A 169 3.484 -15.591 3.259 1.00 0.00 N ATOM 0 H LYS A 169 4.425 -10.857 1.266 1.00 0.00 H new ATOM 0 HA LYS A 169 5.270 -13.529 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.825 -11.912 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.167 -13.583 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.089 -12.955 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.564 -12.804 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.488 -15.048 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.218 -15.162 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 169 3.706 -16.466 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 169 4.489 -14.909 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 4.333 -16.062 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 3.401 -14.643 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 2.642 -16.151 3.502 1.00 0.00 H new ATOM 683 N ALA A 170 6.651 -11.527 -1.007 1.00 0.00 N ATOM 684 CA ALA A 170 7.361 -10.918 -2.125 1.00 0.00 C ATOM 685 C ALA A 170 8.871 -11.031 -1.945 1.00 0.00 C ATOM 686 O ALA A 170 9.304 -11.785 -1.049 1.00 0.00 O ATOM 687 CB ALA A 170 6.954 -9.460 -2.276 1.00 0.00 C ATOM 688 OXT ALA A 170 9.607 -10.365 -2.702 1.00 0.00 O ATOM 0 H ALA A 170 7.193 -11.588 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 170 7.089 -11.457 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.492 -9.017 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 170 5.881 -9.399 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.197 -8.918 -1.362 1.00 0.00 H new TER 694 ALA A 170