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= -0.0357 K(o=-0.036,f=-1.7!) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.0033) USER MOD Single : A 132 SER OG : rot 180:sc= -1.01 USER MOD Single : A 142 HIS : no HE2:sc= -7.65! C(o=-7.7!,f=-9.5!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) 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 -52:sc= 0.57 USER MOD Single : A 159 THR OG1 : rot 44:sc= -0.0866 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 -4.604 14.784 -10.898 1.00 0.00 N ATOM 2 CA GLN A 126 -6.061 14.897 -10.625 1.00 0.00 C ATOM 3 C GLN A 126 -6.408 14.341 -9.247 1.00 0.00 C ATOM 4 O GLN A 126 -7.257 13.459 -9.118 1.00 0.00 O ATOM 5 CB GLN A 126 -6.819 14.132 -11.713 1.00 0.00 C ATOM 6 CG GLN A 126 -8.217 14.670 -11.972 1.00 0.00 C ATOM 7 CD GLN A 126 -8.217 15.865 -12.906 1.00 0.00 C ATOM 8 OE1 GLN A 126 -7.176 16.254 -13.435 1.00 0.00 O ATOM 9 NE2 GLN A 126 -9.389 16.454 -13.112 1.00 0.00 N ATOM 0 HA GLN A 126 -6.349 15.948 -10.635 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -6.246 14.171 -12.639 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -6.890 13.083 -11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -8.833 13.879 -12.399 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -8.675 14.954 -11.024 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -10.227 16.097 -12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -9.452 17.263 -13.730 1.00 0.00 H new ATOM 20 N ASN A 127 -5.746 14.864 -8.221 1.00 0.00 N ATOM 21 CA ASN A 127 -5.984 14.420 -6.852 1.00 0.00 C ATOM 22 C ASN A 127 -5.710 12.926 -6.709 1.00 0.00 C ATOM 23 O ASN A 127 -5.292 12.269 -7.661 1.00 0.00 O ATOM 24 CB ASN A 127 -7.424 14.729 -6.438 1.00 0.00 C ATOM 25 CG ASN A 127 -7.568 16.117 -5.845 1.00 0.00 C ATOM 26 OD1 ASN A 127 -7.887 17.075 -6.550 1.00 0.00 O ATOM 27 ND2 ASN A 127 -7.333 16.233 -4.544 1.00 0.00 N ATOM 0 H ASN A 127 -5.041 15.595 -8.311 1.00 0.00 H new ATOM 0 HA ASN A 127 -5.301 14.960 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.077 14.638 -7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -7.757 13.989 -5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -7.414 17.143 -4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -7.071 15.412 -3.998 1.00 0.00 H new ATOM 34 N ASN A 128 -5.950 12.397 -5.514 1.00 0.00 N ATOM 35 CA ASN A 128 -5.728 10.981 -5.248 1.00 0.00 C ATOM 36 C ASN A 128 -6.462 10.542 -3.985 1.00 0.00 C ATOM 37 O ASN A 128 -6.502 11.269 -2.993 1.00 0.00 O ATOM 38 CB ASN A 128 -4.231 10.696 -5.108 1.00 0.00 C ATOM 39 CG ASN A 128 -3.604 11.452 -3.954 1.00 0.00 C ATOM 40 OD1 ASN A 128 -3.445 10.915 -2.857 1.00 0.00 O ATOM 41 ND2 ASN A 128 -3.246 12.708 -4.194 1.00 0.00 N ATOM 0 H ASN A 128 -6.298 12.927 -4.715 1.00 0.00 H new ATOM 0 HA ASN A 128 -6.122 10.413 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -4.080 9.626 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -3.724 10.967 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -2.821 13.267 -3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -3.396 13.113 -5.118 1.00 0.00 H new ATOM 48 N ASP A 129 -7.041 9.347 -4.029 1.00 0.00 N ATOM 49 CA ASP A 129 -7.772 8.808 -2.890 1.00 0.00 C ATOM 50 C ASP A 129 -7.607 7.293 -2.804 1.00 0.00 C ATOM 51 O ASP A 129 -8.486 6.590 -2.305 1.00 0.00 O ATOM 52 CB ASP A 129 -9.256 9.169 -2.995 1.00 0.00 C ATOM 53 CG ASP A 129 -9.645 10.292 -2.053 1.00 0.00 C ATOM 54 OD1 ASP A 129 -9.021 10.408 -0.977 1.00 0.00 O ATOM 55 OD2 ASP A 129 -10.574 11.056 -2.392 1.00 0.00 O ATOM 0 H ASP A 129 -7.018 8.733 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.361 9.250 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.484 9.462 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.858 8.288 -2.774 1.00 0.00 H new ATOM 60 N ALA A 130 -6.475 6.797 -3.295 1.00 0.00 N ATOM 61 CA ALA A 130 -6.198 5.366 -3.275 1.00 0.00 C ATOM 62 C ALA A 130 -5.022 5.046 -2.359 1.00 0.00 C ATOM 63 O ALA A 130 -4.988 3.993 -1.720 1.00 0.00 O ATOM 64 CB ALA A 130 -5.921 4.864 -4.684 1.00 0.00 C ATOM 0 H ALA A 130 -5.736 7.365 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.079 4.856 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.716 3.794 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.791 5.050 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.058 5.388 -5.094 1.00 0.00 H new ATOM 70 N LEU A 131 -4.056 5.956 -2.302 1.00 0.00 N ATOM 71 CA LEU A 131 -2.876 5.769 -1.468 1.00 0.00 C ATOM 72 C LEU A 131 -2.935 6.654 -0.226 1.00 0.00 C ATOM 73 O LEU A 131 -3.318 7.822 -0.302 1.00 0.00 O ATOM 74 CB LEU A 131 -1.610 6.080 -2.267 1.00 0.00 C ATOM 75 CG LEU A 131 -0.995 4.886 -3.000 1.00 0.00 C ATOM 76 CD1 LEU A 131 0.068 5.353 -3.983 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.407 3.896 -2.005 1.00 0.00 C ATOM 0 H LEU A 131 -4.068 6.832 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.853 4.728 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.841 6.855 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.864 6.494 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.782 4.383 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.494 4.490 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.383 6.023 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.855 5.881 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.026 3.053 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.368 4.388 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.193 3.537 -1.341 1.00 0.00 H new ATOM 89 N SER A 132 -2.545 6.093 0.913 1.00 0.00 N ATOM 90 CA SER A 132 -2.545 6.833 2.170 1.00 0.00 C ATOM 91 C SER A 132 -1.294 7.701 2.280 1.00 0.00 C ATOM 92 O SER A 132 -0.262 7.390 1.685 1.00 0.00 O ATOM 93 CB SER A 132 -2.622 5.868 3.356 1.00 0.00 C ATOM 94 OG SER A 132 -3.639 6.254 4.262 1.00 0.00 O ATOM 0 H SER A 132 -2.225 5.128 0.992 1.00 0.00 H new ATOM 0 HA SER A 132 -3.421 7.481 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.816 4.858 2.995 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.662 5.843 3.871 1.00 0.00 H new ATOM 0 HG SER A 132 -3.669 5.621 5.009 1.00 0.00 H new ATOM 100 N PRO A 133 -1.366 8.806 3.042 1.00 0.00 N ATOM 101 CA PRO A 133 -0.230 9.717 3.222 1.00 0.00 C ATOM 102 C PRO A 133 1.001 9.008 3.776 1.00 0.00 C ATOM 103 O PRO A 133 2.075 9.051 3.177 1.00 0.00 O ATOM 104 CB PRO A 133 -0.747 10.761 4.222 1.00 0.00 C ATOM 105 CG PRO A 133 -1.964 10.151 4.837 1.00 0.00 C ATOM 106 CD PRO A 133 -2.551 9.253 3.787 1.00 0.00 C ATOM 0 HA PRO A 133 0.093 10.148 2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.005 10.987 4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.987 11.699 3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.707 9.587 5.734 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.677 10.919 5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.092 8.415 4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.254 9.785 3.147 1.00 0.00 H new ATOM 114 N ALA A 134 0.841 8.355 4.922 1.00 0.00 N ATOM 115 CA ALA A 134 1.941 7.637 5.549 1.00 0.00 C ATOM 116 C ALA A 134 2.411 6.484 4.670 1.00 0.00 C ATOM 117 O ALA A 134 3.612 6.298 4.450 1.00 0.00 O ATOM 118 CB ALA A 134 1.525 7.123 6.919 1.00 0.00 C ATOM 0 H ALA A 134 -0.040 8.309 5.434 1.00 0.00 H new ATOM 0 HA ALA A 134 2.773 8.331 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.358 6.588 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.243 7.964 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.676 6.448 6.812 1.00 0.00 H new ATOM 124 N ILE A 135 1.459 5.709 4.164 1.00 0.00 N ATOM 125 CA ILE A 135 1.785 4.579 3.311 1.00 0.00 C ATOM 126 C ILE A 135 2.574 5.027 2.090 1.00 0.00 C ATOM 127 O ILE A 135 3.565 4.405 1.735 1.00 0.00 O ATOM 128 CB ILE A 135 0.532 3.818 2.844 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.278 3.337 4.050 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.934 2.642 1.959 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.642 2.791 3.686 1.00 0.00 C ATOM 0 H ILE A 135 0.462 5.843 4.330 1.00 0.00 H new ATOM 0 HA ILE A 135 2.392 3.905 3.916 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.094 4.492 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.286 2.564 4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.402 4.165 4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.040 2.109 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.474 3.011 1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.575 1.964 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.158 2.469 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.225 3.568 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.526 1.942 3.013 1.00 0.00 H new ATOM 143 N ARG A 136 2.139 6.111 1.451 1.00 0.00 N ATOM 144 CA ARG A 136 2.836 6.614 0.274 1.00 0.00 C ATOM 145 C ARG A 136 4.326 6.738 0.569 1.00 0.00 C ATOM 146 O ARG A 136 5.168 6.487 -0.293 1.00 0.00 O ATOM 147 CB ARG A 136 2.237 7.951 -0.179 1.00 0.00 C ATOM 148 CG ARG A 136 3.083 9.161 0.167 1.00 0.00 C ATOM 149 CD ARG A 136 2.506 10.436 -0.426 1.00 0.00 C ATOM 150 NE ARG A 136 3.551 11.333 -0.914 1.00 0.00 N ATOM 151 CZ ARG A 136 3.367 12.236 -1.876 1.00 0.00 C ATOM 152 NH1 ARG A 136 2.179 12.373 -2.453 1.00 0.00 N ATOM 153 NH2 ARG A 136 4.375 13.007 -2.261 1.00 0.00 N ATOM 0 H ARG A 136 1.318 6.650 1.725 1.00 0.00 H new ATOM 0 HA ARG A 136 2.709 5.907 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.088 7.922 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.253 8.068 0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.150 9.261 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.098 9.014 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.833 10.183 -1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.910 10.950 0.328 1.00 0.00 H new ATOM 0 HE ARG A 136 4.477 11.264 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.399 11.784 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.046 13.067 -3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.290 12.908 -1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 136 4.236 13.699 -2.997 1.00 0.00 H new ATOM 167 N ARG A 137 4.639 7.095 1.808 1.00 0.00 N ATOM 168 CA ARG A 137 6.021 7.214 2.232 1.00 0.00 C ATOM 169 C ARG A 137 6.631 5.826 2.333 1.00 0.00 C ATOM 170 O ARG A 137 7.767 5.597 1.916 1.00 0.00 O ATOM 171 CB ARG A 137 6.110 7.930 3.581 1.00 0.00 C ATOM 172 CG ARG A 137 5.493 9.320 3.574 1.00 0.00 C ATOM 173 CD ARG A 137 6.337 10.312 4.359 1.00 0.00 C ATOM 174 NE ARG A 137 6.492 11.580 3.650 1.00 0.00 N ATOM 175 CZ ARG A 137 7.318 11.757 2.621 1.00 0.00 C ATOM 176 NH1 ARG A 137 8.065 10.753 2.180 1.00 0.00 N ATOM 177 NH2 ARG A 137 7.398 12.943 2.032 1.00 0.00 N ATOM 0 H ARG A 137 3.953 7.306 2.533 1.00 0.00 H new ATOM 0 HA ARG A 137 6.572 7.803 1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.612 7.324 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.157 8.008 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.386 9.666 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.491 9.276 4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 137 5.875 10.493 5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.320 9.881 4.550 1.00 0.00 H new ATOM 0 HE ARG A 137 5.935 12.376 3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 137 8.008 9.839 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.696 10.895 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 137 6.827 13.719 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.031 13.079 1.244 1.00 0.00 H new ATOM 191 N LEU A 138 5.853 4.896 2.882 1.00 0.00 N ATOM 192 CA LEU A 138 6.305 3.518 3.028 1.00 0.00 C ATOM 193 C LEU A 138 6.583 2.890 1.663 1.00 0.00 C ATOM 194 O LEU A 138 7.670 2.369 1.421 1.00 0.00 O ATOM 195 CB LEU A 138 5.262 2.685 3.775 1.00 0.00 C ATOM 196 CG LEU A 138 5.661 1.228 4.009 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.921 1.153 4.858 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.528 0.458 4.669 1.00 0.00 C ATOM 0 H LEU A 138 4.911 5.072 3.231 1.00 0.00 H new ATOM 0 HA LEU A 138 7.230 3.530 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.065 3.153 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.328 2.707 3.213 1.00 0.00 H new ATOM 0 HG LEU A 138 5.866 0.770 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.192 0.109 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.735 1.666 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.740 1.630 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.834 -0.576 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.288 0.915 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.648 0.482 4.026 1.00 0.00 H new ATOM 210 N LEU A 139 5.598 2.957 0.767 1.00 0.00 N ATOM 211 CA LEU A 139 5.747 2.404 -0.572 1.00 0.00 C ATOM 212 C LEU A 139 6.909 3.078 -1.281 1.00 0.00 C ATOM 213 O LEU A 139 7.653 2.445 -2.031 1.00 0.00 O ATOM 214 CB LEU A 139 4.460 2.594 -1.375 1.00 0.00 C ATOM 215 CG LEU A 139 3.356 1.578 -1.078 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.985 2.198 -1.300 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.528 0.338 -1.941 1.00 0.00 C ATOM 0 H LEU A 139 4.692 3.389 0.947 1.00 0.00 H new ATOM 0 HA LEU A 139 5.949 1.336 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.073 3.595 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.702 2.545 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 139 3.433 1.282 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.213 1.460 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.862 3.056 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.896 2.523 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.734 -0.374 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.478 0.617 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.495 -0.119 -1.732 1.00 0.00 H new ATOM 229 N ALA A 140 7.065 4.371 -1.019 1.00 0.00 N ATOM 230 CA ALA A 140 8.147 5.141 -1.612 1.00 0.00 C ATOM 231 C ALA A 140 9.493 4.595 -1.151 1.00 0.00 C ATOM 232 O ALA A 140 10.459 4.561 -1.913 1.00 0.00 O ATOM 233 CB ALA A 140 8.014 6.613 -1.248 1.00 0.00 C ATOM 0 H ALA A 140 6.455 4.906 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 140 8.088 5.050 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.832 7.175 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.063 6.995 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.052 6.725 -0.164 1.00 0.00 H new ATOM 239 N GLU A 141 9.541 4.160 0.106 1.00 0.00 N ATOM 240 CA GLU A 141 10.756 3.602 0.679 1.00 0.00 C ATOM 241 C GLU A 141 11.042 2.227 0.091 1.00 0.00 C ATOM 242 O GLU A 141 12.157 1.942 -0.348 1.00 0.00 O ATOM 243 CB GLU A 141 10.629 3.501 2.200 1.00 0.00 C ATOM 244 CG GLU A 141 10.458 4.847 2.888 1.00 0.00 C ATOM 245 CD GLU A 141 11.394 5.022 4.068 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.498 4.436 4.044 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.024 5.744 5.017 1.00 0.00 O ATOM 0 H GLU A 141 8.748 4.185 0.746 1.00 0.00 H new ATOM 0 HA GLU A 141 11.585 4.267 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.776 2.867 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.516 3.009 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.636 5.645 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.427 4.949 3.228 1.00 0.00 H new ATOM 254 N HIS A 142 10.020 1.379 0.084 1.00 0.00 N ATOM 255 CA HIS A 142 10.145 0.029 -0.455 1.00 0.00 C ATOM 256 C HIS A 142 10.286 0.064 -1.975 1.00 0.00 C ATOM 257 O HIS A 142 10.777 -0.888 -2.583 1.00 0.00 O ATOM 258 CB HIS A 142 8.927 -0.813 -0.067 1.00 0.00 C ATOM 259 CG HIS A 142 8.852 -1.132 1.395 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.424 -2.259 1.952 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.259 -0.472 2.418 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.183 -2.275 3.251 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.480 -1.203 3.558 1.00 0.00 N ATOM 0 H HIS A 142 9.093 1.603 0.446 1.00 0.00 H new ATOM 0 HA HIS A 142 11.042 -0.423 -0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 142 8.022 -0.282 -0.360 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.947 -1.745 -0.632 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.950 -2.968 1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.713 0.457 2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.507 -3.037 3.944 1.00 0.00 H new ATOM 272 N ASN A 143 9.850 1.165 -2.584 1.00 0.00 N ATOM 273 CA ASN A 143 9.924 1.323 -4.033 1.00 0.00 C ATOM 274 C ASN A 143 8.943 0.385 -4.730 1.00 0.00 C ATOM 275 O ASN A 143 9.334 -0.427 -5.570 1.00 0.00 O ATOM 276 CB ASN A 143 11.348 1.060 -4.530 1.00 0.00 C ATOM 277 CG ASN A 143 11.705 1.902 -5.739 1.00 0.00 C ATOM 278 OD1 ASN A 143 11.840 3.122 -5.641 1.00 0.00 O ATOM 279 ND2 ASN A 143 11.859 1.255 -6.887 1.00 0.00 N ATOM 0 H ASN A 143 9.441 1.961 -2.095 1.00 0.00 H new ATOM 0 HA ASN A 143 9.653 2.350 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.054 1.267 -3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.452 0.005 -4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.099 1.770 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.738 0.243 -6.922 1.00 0.00 H new ATOM 286 N LEU A 144 7.668 0.502 -4.373 1.00 0.00 N ATOM 287 CA LEU A 144 6.631 -0.339 -4.963 1.00 0.00 C ATOM 288 C LEU A 144 5.521 0.505 -5.575 1.00 0.00 C ATOM 289 O LEU A 144 5.554 1.734 -5.521 1.00 0.00 O ATOM 290 CB LEU A 144 6.039 -1.277 -3.910 1.00 0.00 C ATOM 291 CG LEU A 144 7.048 -1.852 -2.918 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.336 -2.623 -1.817 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.049 -2.743 -3.636 1.00 0.00 C ATOM 0 H LEU A 144 7.328 1.169 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 144 7.095 -0.930 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.273 -0.737 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.542 -2.103 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 144 7.591 -1.026 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.072 -3.025 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.659 -1.955 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.767 -3.442 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.761 -3.145 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.522 -3.564 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.583 -2.160 -4.386 1.00 0.00 H new ATOM 305 N ASP A 145 4.536 -0.172 -6.154 1.00 0.00 N ATOM 306 CA ASP A 145 3.404 0.502 -6.778 1.00 0.00 C ATOM 307 C ASP A 145 2.094 0.057 -6.137 1.00 0.00 C ATOM 308 O ASP A 145 1.806 -1.137 -6.057 1.00 0.00 O ATOM 309 CB ASP A 145 3.375 0.212 -8.280 1.00 0.00 C ATOM 310 CG ASP A 145 2.556 1.232 -9.048 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.091 2.320 -9.346 1.00 0.00 O ATOM 312 OD2 ASP A 145 1.379 0.941 -9.352 1.00 0.00 O ATOM 0 H ASP A 145 4.499 -1.190 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 145 3.519 1.575 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.394 0.203 -8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.962 -0.783 -8.448 1.00 0.00 H new ATOM 317 N ALA A 146 1.305 1.023 -5.678 1.00 0.00 N ATOM 318 CA ALA A 146 0.026 0.732 -5.040 1.00 0.00 C ATOM 319 C ALA A 146 -0.811 -0.227 -5.881 1.00 0.00 C ATOM 320 O ALA A 146 -1.350 -1.209 -5.371 1.00 0.00 O ATOM 321 CB ALA A 146 -0.741 2.021 -4.788 1.00 0.00 C ATOM 0 H ALA A 146 1.530 2.016 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 146 0.230 0.247 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.694 1.790 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.157 2.670 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.923 2.528 -5.736 1.00 0.00 H new ATOM 327 N SER A 147 -0.915 0.066 -7.173 1.00 0.00 N ATOM 328 CA SER A 147 -1.687 -0.769 -8.088 1.00 0.00 C ATOM 329 C SER A 147 -1.102 -2.177 -8.187 1.00 0.00 C ATOM 330 O SER A 147 -1.770 -3.102 -8.649 1.00 0.00 O ATOM 331 CB SER A 147 -1.734 -0.128 -9.476 1.00 0.00 C ATOM 332 OG SER A 147 -3.000 -0.320 -10.085 1.00 0.00 O ATOM 0 H SER A 147 -0.475 0.875 -7.611 1.00 0.00 H new ATOM 0 HA SER A 147 -2.699 -0.849 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 147 -1.524 0.939 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.955 -0.559 -10.105 1.00 0.00 H new ATOM 0 HG SER A 147 -3.004 0.100 -10.970 1.00 0.00 H new ATOM 338 N ALA A 148 0.146 -2.336 -7.753 1.00 0.00 N ATOM 339 CA ALA A 148 0.808 -3.635 -7.801 1.00 0.00 C ATOM 340 C ALA A 148 0.589 -4.421 -6.511 1.00 0.00 C ATOM 341 O ALA A 148 0.770 -5.638 -6.479 1.00 0.00 O ATOM 342 CB ALA A 148 2.295 -3.457 -8.066 1.00 0.00 C ATOM 0 H ALA A 148 0.716 -1.584 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 148 0.367 -4.206 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.778 -4.434 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.436 -2.949 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.738 -2.860 -7.268 1.00 0.00 H new ATOM 348 N ILE A 149 0.203 -3.722 -5.447 1.00 0.00 N ATOM 349 CA ILE A 149 -0.035 -4.366 -4.158 1.00 0.00 C ATOM 350 C ILE A 149 -1.516 -4.322 -3.792 1.00 0.00 C ATOM 351 O ILE A 149 -2.285 -3.552 -4.368 1.00 0.00 O ATOM 352 CB ILE A 149 0.793 -3.705 -3.035 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.171 -3.291 -3.566 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.935 -4.655 -1.851 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.096 -2.738 -2.504 1.00 0.00 C ATOM 0 H ILE A 149 0.049 -2.714 -5.451 1.00 0.00 H new ATOM 0 HA ILE A 149 0.279 -5.405 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 149 0.272 -2.810 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.644 -4.155 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.039 -2.541 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.521 -4.175 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.053 -4.904 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.439 -5.566 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 149 4.050 -2.468 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.645 -1.854 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.260 -3.493 -1.735 1.00 0.00 H new ATOM 367 N LYS A 150 -1.913 -5.162 -2.839 1.00 0.00 N ATOM 368 CA LYS A 150 -3.305 -5.230 -2.405 1.00 0.00 C ATOM 369 C LYS A 150 -3.816 -3.866 -1.949 1.00 0.00 C ATOM 370 O LYS A 150 -3.046 -3.020 -1.498 1.00 0.00 O ATOM 371 CB LYS A 150 -3.460 -6.249 -1.274 1.00 0.00 C ATOM 372 CG LYS A 150 -4.627 -7.203 -1.472 1.00 0.00 C ATOM 373 CD LYS A 150 -4.289 -8.606 -0.993 1.00 0.00 C ATOM 374 CE LYS A 150 -3.957 -9.528 -2.156 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.124 -10.962 -1.794 1.00 0.00 N ATOM 0 H LYS A 150 -1.289 -5.806 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.902 -5.547 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.540 -6.827 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -3.592 -5.717 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.497 -6.832 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.898 -7.233 -2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.442 -8.563 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.131 -9.013 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.601 -9.290 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.930 -9.352 -2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.888 -11.557 -2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.491 -11.196 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.110 -11.136 -1.512 1.00 0.00 H new ATOM 389 N GLY A 151 -5.124 -3.668 -2.066 1.00 0.00 N ATOM 390 CA GLY A 151 -5.731 -2.412 -1.663 1.00 0.00 C ATOM 391 C GLY A 151 -7.103 -2.612 -1.047 1.00 0.00 C ATOM 392 O GLY A 151 -8.120 -2.311 -1.672 1.00 0.00 O ATOM 0 H GLY A 151 -5.778 -4.358 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.082 -1.910 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.815 -1.756 -2.530 1.00 0.00 H new ATOM 396 N THR A 152 -7.132 -3.127 0.178 1.00 0.00 N ATOM 397 CA THR A 152 -8.391 -3.375 0.875 1.00 0.00 C ATOM 398 C THR A 152 -8.779 -2.189 1.756 1.00 0.00 C ATOM 399 O THR A 152 -9.196 -2.364 2.901 1.00 0.00 O ATOM 400 CB THR A 152 -8.286 -4.643 1.723 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.539 -4.966 2.301 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.278 -4.534 2.846 1.00 0.00 C ATOM 0 H THR A 152 -6.299 -3.381 0.709 1.00 0.00 H new ATOM 0 HA THR A 152 -9.169 -3.509 0.123 1.00 0.00 H new ATOM 0 HB THR A 152 -7.955 -5.421 1.035 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.895 -4.182 2.769 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.255 -5.469 3.407 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.290 -4.336 2.430 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.561 -3.719 3.511 1.00 0.00 H new ATOM 410 N GLY A 153 -8.646 -0.984 1.212 1.00 0.00 N ATOM 411 CA GLY A 153 -8.992 0.209 1.962 1.00 0.00 C ATOM 412 C GLY A 153 -10.464 0.553 1.847 1.00 0.00 C ATOM 413 O GLY A 153 -11.267 -0.272 1.409 1.00 0.00 O ATOM 0 H GLY A 153 -8.305 -0.812 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.736 0.063 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.396 1.048 1.602 1.00 0.00 H new ATOM 417 N VAL A 154 -10.820 1.773 2.236 1.00 0.00 N ATOM 418 CA VAL A 154 -12.207 2.220 2.167 1.00 0.00 C ATOM 419 C VAL A 154 -12.707 2.203 0.727 1.00 0.00 C ATOM 420 O VAL A 154 -12.659 3.215 0.030 1.00 0.00 O ATOM 421 CB VAL A 154 -12.375 3.639 2.745 1.00 0.00 C ATOM 422 CG1 VAL A 154 -13.843 4.037 2.770 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.768 3.724 4.137 1.00 0.00 C ATOM 0 H VAL A 154 -10.169 2.468 2.601 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.797 1.527 2.767 1.00 0.00 H new ATOM 0 HB VAL A 154 -11.845 4.339 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -13.941 5.042 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.242 4.020 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.400 3.335 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.896 4.733 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.267 3.013 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.705 3.487 4.086 1.00 0.00 H new ATOM 433 N GLY A 155 -13.178 1.042 0.286 1.00 0.00 N ATOM 434 CA GLY A 155 -13.671 0.909 -1.071 1.00 0.00 C ATOM 435 C GLY A 155 -12.669 0.222 -1.981 1.00 0.00 C ATOM 436 O GLY A 155 -13.040 -0.335 -3.015 1.00 0.00 O ATOM 0 H GLY A 155 -13.227 0.190 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.601 0.341 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.904 1.897 -1.470 1.00 0.00 H new ATOM 440 N GLY A 156 -11.397 0.260 -1.593 1.00 0.00 N ATOM 441 CA GLY A 156 -10.360 -0.368 -2.390 1.00 0.00 C ATOM 442 C GLY A 156 -9.099 0.473 -2.473 1.00 0.00 C ATOM 443 O GLY A 156 -8.565 0.693 -3.560 1.00 0.00 O ATOM 0 H GLY A 156 -11.067 0.714 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.116 -1.340 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.739 -0.548 -3.396 1.00 0.00 H new ATOM 447 N ARG A 157 -8.623 0.944 -1.323 1.00 0.00 N ATOM 448 CA ARG A 157 -7.419 1.766 -1.276 1.00 0.00 C ATOM 449 C ARG A 157 -6.275 1.015 -0.594 1.00 0.00 C ATOM 450 O ARG A 157 -6.502 0.164 0.265 1.00 0.00 O ATOM 451 CB ARG A 157 -7.719 3.095 -0.560 1.00 0.00 C ATOM 452 CG ARG A 157 -6.949 3.311 0.739 1.00 0.00 C ATOM 453 CD ARG A 157 -7.092 4.739 1.240 1.00 0.00 C ATOM 454 NE ARG A 157 -8.006 4.834 2.377 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.080 5.893 3.180 1.00 0.00 C ATOM 456 NH1 ARG A 157 -7.297 6.945 2.978 1.00 0.00 N ATOM 457 NH2 ARG A 157 -8.941 5.900 4.189 1.00 0.00 N ATOM 0 H ARG A 157 -9.052 0.771 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.103 1.988 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.494 3.917 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.787 3.143 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.314 2.619 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -5.895 3.084 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.113 5.121 1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.454 5.372 0.430 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.622 4.043 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -6.633 6.945 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.359 7.753 3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.546 5.094 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.998 6.711 4.805 1.00 0.00 H new ATOM 471 N LEU A 158 -5.046 1.343 -0.982 1.00 0.00 N ATOM 472 CA LEU A 158 -3.862 0.709 -0.410 1.00 0.00 C ATOM 473 C LEU A 158 -3.818 0.907 1.103 1.00 0.00 C ATOM 474 O LEU A 158 -4.032 2.014 1.596 1.00 0.00 O ATOM 475 CB LEU A 158 -2.597 1.293 -1.046 1.00 0.00 C ATOM 476 CG LEU A 158 -1.396 0.348 -1.103 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.086 -0.208 0.278 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.652 -0.780 -2.087 1.00 0.00 C ATOM 0 H LEU A 158 -4.844 2.046 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.911 -0.360 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.835 1.613 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.310 2.185 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.530 0.914 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.229 -0.878 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.857 0.613 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.950 -0.758 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.787 -1.442 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.531 -1.344 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.822 -0.365 -3.080 1.00 0.00 H new ATOM 490 N THR A 159 -3.539 -0.168 1.837 1.00 0.00 N ATOM 491 CA THR A 159 -3.470 -0.094 3.294 1.00 0.00 C ATOM 492 C THR A 159 -2.188 -0.735 3.819 1.00 0.00 C ATOM 493 O THR A 159 -1.572 -1.566 3.148 1.00 0.00 O ATOM 494 CB THR A 159 -4.694 -0.768 3.922 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.376 -1.565 2.970 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.691 0.217 4.491 1.00 0.00 C ATOM 0 H THR A 159 -3.358 -1.094 1.450 1.00 0.00 H new ATOM 0 HA THR A 159 -3.463 0.959 3.576 1.00 0.00 H new ATOM 0 HB THR A 159 -4.300 -1.377 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.726 -2.083 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.534 -0.325 4.920 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.211 0.814 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.048 0.873 3.697 1.00 0.00 H new ATOM 504 N ARG A 160 -1.792 -0.346 5.030 1.00 0.00 N ATOM 505 CA ARG A 160 -0.584 -0.883 5.647 1.00 0.00 C ATOM 506 C ARG A 160 -0.645 -2.403 5.704 1.00 0.00 C ATOM 507 O ARG A 160 0.365 -3.084 5.524 1.00 0.00 O ATOM 508 CB ARG A 160 -0.406 -0.313 7.056 1.00 0.00 C ATOM 509 CG ARG A 160 0.937 -0.652 7.683 1.00 0.00 C ATOM 510 CD ARG A 160 1.643 0.592 8.201 1.00 0.00 C ATOM 511 NE ARG A 160 0.909 1.221 9.297 1.00 0.00 N ATOM 512 CZ ARG A 160 0.829 0.711 10.524 1.00 0.00 C ATOM 513 NH1 ARG A 160 1.433 -0.435 10.815 1.00 0.00 N ATOM 514 NH2 ARG A 160 0.142 1.348 11.462 1.00 0.00 N ATOM 0 H ARG A 160 -2.290 0.337 5.601 1.00 0.00 H new ATOM 0 HA ARG A 160 0.271 -0.590 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.517 0.771 7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -1.203 -0.692 7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.789 -1.355 8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.568 -1.149 6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.644 0.326 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.762 1.307 7.387 1.00 0.00 H new ATOM 0 HE ARG A 160 0.430 2.102 9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.962 -0.930 10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 160 1.368 -0.821 11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -0.325 2.228 11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 160 0.080 0.958 12.402 1.00 0.00 H new ATOM 528 N GLU A 161 -1.842 -2.929 5.935 1.00 0.00 N ATOM 529 CA GLU A 161 -2.038 -4.369 5.992 1.00 0.00 C ATOM 530 C GLU A 161 -1.707 -4.990 4.642 1.00 0.00 C ATOM 531 O GLU A 161 -1.141 -6.081 4.565 1.00 0.00 O ATOM 532 CB GLU A 161 -3.480 -4.698 6.385 1.00 0.00 C ATOM 533 CG GLU A 161 -3.842 -4.255 7.794 1.00 0.00 C ATOM 534 CD GLU A 161 -3.167 -5.096 8.859 1.00 0.00 C ATOM 535 OE1 GLU A 161 -3.757 -6.116 9.272 1.00 0.00 O ATOM 536 OE2 GLU A 161 -2.048 -4.735 9.281 1.00 0.00 O ATOM 0 H GLU A 161 -2.688 -2.380 6.085 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.371 -4.784 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.159 -4.221 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.635 -5.774 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.559 -3.211 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.923 -4.311 7.922 1.00 0.00 H new ATOM 543 N ASP A 162 -2.053 -4.274 3.575 1.00 0.00 N ATOM 544 CA ASP A 162 -1.786 -4.740 2.223 1.00 0.00 C ATOM 545 C ASP A 162 -0.285 -4.837 1.986 1.00 0.00 C ATOM 546 O ASP A 162 0.218 -5.865 1.534 1.00 0.00 O ATOM 547 CB ASP A 162 -2.417 -3.795 1.199 1.00 0.00 C ATOM 548 CG ASP A 162 -3.930 -3.809 1.257 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.504 -4.879 1.546 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.540 -2.747 1.012 1.00 0.00 O ATOM 0 H ASP A 162 -2.519 -3.368 3.624 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.227 -5.730 2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.059 -2.781 1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.092 -4.079 0.198 1.00 0.00 H new ATOM 555 N VAL A 163 0.427 -3.759 2.306 1.00 0.00 N ATOM 556 CA VAL A 163 1.874 -3.730 2.138 1.00 0.00 C ATOM 557 C VAL A 163 2.531 -4.832 2.962 1.00 0.00 C ATOM 558 O VAL A 163 3.556 -5.389 2.570 1.00 0.00 O ATOM 559 CB VAL A 163 2.466 -2.367 2.549 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.974 -2.349 2.346 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.806 -1.242 1.768 1.00 0.00 C ATOM 0 H VAL A 163 0.026 -2.899 2.681 1.00 0.00 H new ATOM 0 HA VAL A 163 2.079 -3.892 1.080 1.00 0.00 H new ATOM 0 HB VAL A 163 2.265 -2.214 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.369 -1.378 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.432 -3.129 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.202 -2.528 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.236 -0.287 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.973 -1.393 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.735 -1.238 1.971 1.00 0.00 H new ATOM 571 N GLU A 164 1.926 -5.145 4.105 1.00 0.00 N ATOM 572 CA GLU A 164 2.446 -6.185 4.982 1.00 0.00 C ATOM 573 C GLU A 164 2.370 -7.545 4.298 1.00 0.00 C ATOM 574 O GLU A 164 3.344 -8.296 4.275 1.00 0.00 O ATOM 575 CB GLU A 164 1.666 -6.214 6.297 1.00 0.00 C ATOM 576 CG GLU A 164 2.231 -5.284 7.359 1.00 0.00 C ATOM 577 CD GLU A 164 1.800 -5.669 8.760 1.00 0.00 C ATOM 578 OE1 GLU A 164 0.615 -5.461 9.095 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.647 -6.179 9.523 1.00 0.00 O ATOM 0 H GLU A 164 1.077 -4.693 4.443 1.00 0.00 H new ATOM 0 HA GLU A 164 3.490 -5.961 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.629 -5.941 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.660 -7.233 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.319 -5.293 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.909 -4.263 7.151 1.00 0.00 H new ATOM 586 N LYS A 165 1.205 -7.852 3.732 1.00 0.00 N ATOM 587 CA LYS A 165 1.008 -9.119 3.037 1.00 0.00 C ATOM 588 C LYS A 165 1.992 -9.252 1.880 1.00 0.00 C ATOM 589 O LYS A 165 2.597 -10.306 1.682 1.00 0.00 O ATOM 590 CB LYS A 165 -0.427 -9.225 2.515 1.00 0.00 C ATOM 591 CG LYS A 165 -1.479 -9.195 3.611 1.00 0.00 C ATOM 592 CD LYS A 165 -1.206 -10.245 4.677 1.00 0.00 C ATOM 593 CE LYS A 165 -2.467 -10.598 5.448 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.162 -11.355 6.693 1.00 0.00 N ATOM 0 H LYS A 165 0.387 -7.243 3.741 1.00 0.00 H new ATOM 0 HA LYS A 165 1.186 -9.928 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.614 -8.405 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.531 -10.151 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.499 -8.206 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.464 -9.365 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.801 -11.143 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.448 -9.875 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.006 -9.685 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.126 -11.192 4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.048 -11.577 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -1.671 -12.239 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -1.554 -10.779 7.309 1.00 0.00 H new ATOM 608 N TRP A 166 2.153 -8.170 1.124 1.00 0.00 N ATOM 609 CA TRP A 166 3.069 -8.155 -0.009 1.00 0.00 C ATOM 610 C TRP A 166 4.511 -8.292 0.470 1.00 0.00 C ATOM 611 O TRP A 166 5.291 -9.064 -0.086 1.00 0.00 O ATOM 612 CB TRP A 166 2.898 -6.859 -0.809 1.00 0.00 C ATOM 613 CG TRP A 166 3.914 -6.686 -1.897 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.754 -6.965 -3.225 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.250 -6.195 -1.749 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.914 -6.683 -3.908 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.846 -6.209 -3.023 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.999 -5.746 -0.660 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.157 -5.794 -3.237 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.301 -5.333 -0.873 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.868 -5.360 -2.153 1.00 0.00 C ATOM 0 H TRP A 166 1.659 -7.291 1.277 1.00 0.00 H new ATOM 0 HA TRP A 166 2.836 -9.001 -0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.901 -6.842 -1.249 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.960 -6.011 -0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.850 -7.350 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.057 -6.807 -4.910 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.569 -5.722 0.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.597 -5.814 -4.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.891 -4.984 -0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.888 -5.031 -2.287 1.00 0.00 H new ATOM 632 N LEU A 167 4.855 -7.534 1.507 1.00 0.00 N ATOM 633 CA LEU A 167 6.201 -7.565 2.067 1.00 0.00 C ATOM 634 C LEU A 167 6.580 -8.977 2.501 1.00 0.00 C ATOM 635 O LEU A 167 7.740 -9.378 2.403 1.00 0.00 O ATOM 636 CB LEU A 167 6.301 -6.608 3.257 1.00 0.00 C ATOM 637 CG LEU A 167 6.576 -5.148 2.895 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.275 -4.237 4.075 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.017 -4.976 2.441 1.00 0.00 C ATOM 0 H LEU A 167 4.219 -6.890 1.977 1.00 0.00 H new ATOM 0 HA LEU A 167 6.897 -7.246 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.370 -6.657 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.094 -6.957 3.919 1.00 0.00 H new ATOM 0 HG LEU A 167 5.919 -4.868 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.477 -3.203 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.227 -4.339 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.905 -4.515 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.196 -3.931 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.690 -5.275 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.199 -5.599 1.565 1.00 0.00 H new ATOM 651 N ALA A 168 5.594 -9.725 2.982 1.00 0.00 N ATOM 652 CA ALA A 168 5.821 -11.092 3.433 1.00 0.00 C ATOM 653 C ALA A 168 5.776 -12.071 2.264 1.00 0.00 C ATOM 654 O ALA A 168 6.476 -13.084 2.263 1.00 0.00 O ATOM 655 CB ALA A 168 4.792 -11.477 4.485 1.00 0.00 C ATOM 0 H ALA A 168 4.629 -9.407 3.070 1.00 0.00 H new ATOM 0 HA ALA A 168 6.815 -11.142 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.973 -12.500 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.873 -10.803 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.791 -11.404 4.059 1.00 0.00 H new ATOM 661 N LYS A 169 4.951 -11.762 1.270 1.00 0.00 N ATOM 662 CA LYS A 169 4.817 -12.617 0.095 1.00 0.00 C ATOM 663 C LYS A 169 6.072 -12.553 -0.770 1.00 0.00 C ATOM 664 O LYS A 169 6.460 -13.542 -1.392 1.00 0.00 O ATOM 665 CB LYS A 169 3.592 -12.203 -0.726 1.00 0.00 C ATOM 666 CG LYS A 169 2.675 -13.363 -1.077 1.00 0.00 C ATOM 667 CD LYS A 169 1.317 -12.876 -1.556 1.00 0.00 C ATOM 668 CE LYS A 169 0.208 -13.834 -1.152 1.00 0.00 C ATOM 669 NZ LYS A 169 -0.379 -13.478 0.169 1.00 0.00 N ATOM 0 H LYS A 169 4.365 -10.927 1.254 1.00 0.00 H new ATOM 0 HA LYS A 169 4.686 -13.644 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.025 -11.459 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.927 -11.724 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.138 -13.972 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.546 -14.003 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.116 -11.889 -1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.329 -12.769 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -0.574 -13.825 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.602 -14.850 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -1.131 -14.155 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 0.362 -13.511 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -0.778 -12.519 0.124 1.00 0.00 H new ATOM 683 N ALA A 170 6.701 -11.383 -0.805 1.00 0.00 N ATOM 684 CA ALA A 170 7.911 -11.190 -1.593 1.00 0.00 C ATOM 685 C ALA A 170 9.156 -11.255 -0.715 1.00 0.00 C ATOM 686 O ALA A 170 10.272 -11.134 -1.261 1.00 0.00 O ATOM 687 CB ALA A 170 7.853 -9.861 -2.331 1.00 0.00 C ATOM 688 OXT ALA A 170 9.004 -11.426 0.513 1.00 0.00 O ATOM 0 H ALA A 170 6.392 -10.554 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 170 7.971 -11.997 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.763 -9.730 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.990 -9.852 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.764 -9.048 -1.610 1.00 0.00 H new TER 694 ALA A 170