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= -0.142 X(o=-0.14,f=0) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 128 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.2) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -7.9! C(o=-7.9!,f=-9.8!) USER MOD Single : A 143 ASN : amide:sc= -4.71! C(o=-4.7!,f=-5.3!) USER MOD Single : A 147 SER OG : rot 47:sc= -0.0468 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 180:sc=-0.00507 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 -7.280 12.865 -8.585 1.00 0.00 N ATOM 2 CA GLN A 126 -7.419 12.855 -10.065 1.00 0.00 C ATOM 3 C GLN A 126 -8.747 12.237 -10.490 1.00 0.00 C ATOM 4 O GLN A 126 -9.388 12.705 -11.431 1.00 0.00 O ATOM 5 CB GLN A 126 -6.253 12.061 -10.658 1.00 0.00 C ATOM 6 CG GLN A 126 -6.007 12.351 -12.130 1.00 0.00 C ATOM 7 CD GLN A 126 -4.739 13.148 -12.365 1.00 0.00 C ATOM 8 OE1 GLN A 126 -3.951 12.836 -13.258 1.00 0.00 O ATOM 9 NE2 GLN A 126 -4.535 14.186 -11.561 1.00 0.00 N ATOM 0 HA GLN A 126 -7.402 13.881 -10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -5.347 12.286 -10.095 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -6.449 10.996 -10.534 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -5.946 11.410 -12.676 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -6.857 12.900 -12.535 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -5.214 14.409 -10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -3.699 14.760 -11.671 1.00 0.00 H new ATOM 20 N ASN A 127 -9.153 11.182 -9.790 1.00 0.00 N ATOM 21 CA ASN A 127 -10.404 10.499 -10.094 1.00 0.00 C ATOM 22 C ASN A 127 -10.665 9.372 -9.101 1.00 0.00 C ATOM 23 O ASN A 127 -11.797 9.160 -8.669 1.00 0.00 O ATOM 24 CB ASN A 127 -10.373 9.942 -11.518 1.00 0.00 C ATOM 25 CG ASN A 127 -11.730 10.003 -12.194 1.00 0.00 C ATOM 26 OD1 ASN A 127 -12.697 9.400 -11.727 1.00 0.00 O ATOM 27 ND2 ASN A 127 -11.808 10.734 -13.299 1.00 0.00 N ATOM 0 H ASN A 127 -8.633 10.782 -9.009 1.00 0.00 H new ATOM 0 HA ASN A 127 -11.213 11.225 -10.013 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.650 10.504 -12.109 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -10.029 8.908 -11.493 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -12.695 10.813 -13.797 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -10.981 11.217 -13.650 1.00 0.00 H new ATOM 34 N ASN A 128 -9.608 8.655 -8.743 1.00 0.00 N ATOM 35 CA ASN A 128 -9.716 7.548 -7.800 1.00 0.00 C ATOM 36 C ASN A 128 -8.985 7.867 -6.501 1.00 0.00 C ATOM 37 O ASN A 128 -8.216 8.826 -6.429 1.00 0.00 O ATOM 38 CB ASN A 128 -9.150 6.267 -8.416 1.00 0.00 C ATOM 39 CG ASN A 128 -9.764 5.017 -7.817 1.00 0.00 C ATOM 40 OD1 ASN A 128 -10.983 4.843 -7.826 1.00 0.00 O ATOM 41 ND2 ASN A 128 -8.921 4.137 -7.290 1.00 0.00 N ATOM 0 H ASN A 128 -8.664 8.820 -9.092 1.00 0.00 H new ATOM 0 HA ASN A 128 -10.772 7.398 -7.575 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -9.327 6.276 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -8.070 6.244 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -9.277 3.277 -6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -7.918 4.320 -7.304 1.00 0.00 H new ATOM 48 N ASP A 129 -9.229 7.058 -5.476 1.00 0.00 N ATOM 49 CA ASP A 129 -8.593 7.255 -4.178 1.00 0.00 C ATOM 50 C ASP A 129 -8.313 5.917 -3.500 1.00 0.00 C ATOM 51 O ASP A 129 -9.102 5.449 -2.680 1.00 0.00 O ATOM 52 CB ASP A 129 -9.478 8.120 -3.279 1.00 0.00 C ATOM 53 CG ASP A 129 -8.714 8.710 -2.110 1.00 0.00 C ATOM 54 OD1 ASP A 129 -7.473 8.812 -2.204 1.00 0.00 O ATOM 55 OD2 ASP A 129 -9.356 9.070 -1.102 1.00 0.00 O ATOM 0 H ASP A 129 -9.862 6.260 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.644 7.765 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.913 8.927 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.306 7.519 -2.902 1.00 0.00 H new ATOM 60 N ALA A 130 -7.184 5.307 -3.849 1.00 0.00 N ATOM 61 CA ALA A 130 -6.800 4.025 -3.274 1.00 0.00 C ATOM 62 C ALA A 130 -5.570 4.167 -2.386 1.00 0.00 C ATOM 63 O ALA A 130 -5.439 3.479 -1.373 1.00 0.00 O ATOM 64 CB ALA A 130 -6.543 3.009 -4.377 1.00 0.00 C ATOM 0 H ALA A 130 -6.520 5.681 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.624 3.672 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.257 2.055 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.449 2.877 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.739 3.366 -5.020 1.00 0.00 H new ATOM 70 N LEU A 131 -4.669 5.063 -2.772 1.00 0.00 N ATOM 71 CA LEU A 131 -3.447 5.297 -2.011 1.00 0.00 C ATOM 72 C LEU A 131 -3.645 6.417 -0.994 1.00 0.00 C ATOM 73 O LEU A 131 -4.612 7.175 -1.072 1.00 0.00 O ATOM 74 CB LEU A 131 -2.292 5.642 -2.953 1.00 0.00 C ATOM 75 CG LEU A 131 -1.445 4.450 -3.403 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.885 4.691 -4.797 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.321 4.192 -2.412 1.00 0.00 C ATOM 0 H LEU A 131 -4.762 5.640 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.203 4.382 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.699 6.134 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.642 6.363 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.082 3.566 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.285 3.833 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.706 4.827 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.262 5.585 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.272 3.341 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.316 5.074 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.744 3.976 -1.431 1.00 0.00 H new ATOM 89 N SER A 132 -2.724 6.515 -0.042 1.00 0.00 N ATOM 90 CA SER A 132 -2.798 7.542 0.991 1.00 0.00 C ATOM 91 C SER A 132 -1.482 8.310 1.091 1.00 0.00 C ATOM 92 O SER A 132 -0.421 7.788 0.750 1.00 0.00 O ATOM 93 CB SER A 132 -3.138 6.912 2.342 1.00 0.00 C ATOM 94 OG SER A 132 -4.494 6.501 2.386 1.00 0.00 O ATOM 0 H SER A 132 -1.917 5.896 0.036 1.00 0.00 H new ATOM 0 HA SER A 132 -3.586 8.243 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.489 6.055 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.946 7.629 3.140 1.00 0.00 H new ATOM 0 HG SER A 132 -4.686 6.100 3.259 1.00 0.00 H new ATOM 100 N PRO A 133 -1.536 9.567 1.565 1.00 0.00 N ATOM 101 CA PRO A 133 -0.342 10.408 1.710 1.00 0.00 C ATOM 102 C PRO A 133 0.762 9.713 2.499 1.00 0.00 C ATOM 103 O PRO A 133 1.887 9.571 2.018 1.00 0.00 O ATOM 104 CB PRO A 133 -0.858 11.629 2.474 1.00 0.00 C ATOM 105 CG PRO A 133 -2.311 11.692 2.154 1.00 0.00 C ATOM 106 CD PRO A 133 -2.761 10.267 1.995 1.00 0.00 C ATOM 0 HA PRO A 133 0.106 10.650 0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.693 11.523 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.344 12.538 2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.865 12.190 2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.485 12.261 1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.148 9.861 2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.556 10.177 1.255 1.00 0.00 H new ATOM 114 N ALA A 134 0.434 9.280 3.712 1.00 0.00 N ATOM 115 CA ALA A 134 1.399 8.600 4.567 1.00 0.00 C ATOM 116 C ALA A 134 1.913 7.325 3.907 1.00 0.00 C ATOM 117 O ALA A 134 3.120 7.062 3.885 1.00 0.00 O ATOM 118 CB ALA A 134 0.775 8.282 5.917 1.00 0.00 C ATOM 0 H ALA A 134 -0.493 9.388 4.125 1.00 0.00 H new ATOM 0 HA ALA A 134 2.247 9.268 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.507 7.774 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.462 9.208 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -0.091 7.636 5.774 1.00 0.00 H new ATOM 124 N ILE A 135 0.996 6.530 3.364 1.00 0.00 N ATOM 125 CA ILE A 135 1.375 5.290 2.706 1.00 0.00 C ATOM 126 C ILE A 135 2.380 5.551 1.596 1.00 0.00 C ATOM 127 O ILE A 135 3.365 4.836 1.473 1.00 0.00 O ATOM 128 CB ILE A 135 0.162 4.545 2.116 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.847 4.213 3.217 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.621 3.275 1.402 1.00 0.00 C ATOM 131 CD1 ILE A 135 -2.062 3.464 2.718 1.00 0.00 C ATOM 0 H ILE A 135 -0.006 6.722 3.367 1.00 0.00 H new ATOM 0 HA ILE A 135 1.825 4.661 3.474 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.328 5.192 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.352 3.617 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.171 5.139 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.244 2.757 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.305 3.538 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.130 2.623 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.733 3.263 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.580 4.067 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.749 2.522 2.268 1.00 0.00 H new ATOM 143 N ARG A 136 2.133 6.578 0.789 1.00 0.00 N ATOM 144 CA ARG A 136 3.042 6.908 -0.303 1.00 0.00 C ATOM 145 C ARG A 136 4.471 6.976 0.214 1.00 0.00 C ATOM 146 O ARG A 136 5.410 6.550 -0.459 1.00 0.00 O ATOM 147 CB ARG A 136 2.646 8.234 -0.954 1.00 0.00 C ATOM 148 CG ARG A 136 1.787 8.069 -2.196 1.00 0.00 C ATOM 149 CD ARG A 136 2.084 9.145 -3.227 1.00 0.00 C ATOM 150 NE ARG A 136 1.364 8.919 -4.478 1.00 0.00 N ATOM 151 CZ ARG A 136 0.067 9.170 -4.643 1.00 0.00 C ATOM 152 NH1 ARG A 136 -0.655 9.655 -3.640 1.00 0.00 N ATOM 153 NH2 ARG A 136 -0.510 8.935 -5.814 1.00 0.00 N ATOM 0 H ARG A 136 1.321 7.190 0.869 1.00 0.00 H new ATOM 0 HA ARG A 136 2.977 6.126 -1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.105 8.839 -0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.549 8.784 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.963 7.086 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.734 8.110 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.811 10.120 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.156 9.171 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 136 1.886 8.547 -5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.216 9.837 -2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.648 9.845 -3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.040 8.562 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.504 9.127 -5.941 1.00 0.00 H new ATOM 167 N ARG A 137 4.620 7.480 1.432 1.00 0.00 N ATOM 168 CA ARG A 137 5.926 7.565 2.059 1.00 0.00 C ATOM 169 C ARG A 137 6.401 6.163 2.407 1.00 0.00 C ATOM 170 O ARG A 137 7.569 5.821 2.219 1.00 0.00 O ATOM 171 CB ARG A 137 5.860 8.426 3.320 1.00 0.00 C ATOM 172 CG ARG A 137 5.345 9.834 3.069 1.00 0.00 C ATOM 173 CD ARG A 137 6.379 10.884 3.450 1.00 0.00 C ATOM 174 NE ARG A 137 7.176 11.308 2.301 1.00 0.00 N ATOM 175 CZ ARG A 137 8.033 12.326 2.330 1.00 0.00 C ATOM 176 NH1 ARG A 137 8.207 13.025 3.445 1.00 0.00 N ATOM 177 NH2 ARG A 137 8.718 12.647 1.241 1.00 0.00 N ATOM 0 H ARG A 137 3.852 7.835 2.002 1.00 0.00 H new ATOM 0 HA ARG A 137 6.628 8.029 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.215 7.937 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 137 6.855 8.485 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.084 9.944 2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.432 9.996 3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 137 5.875 11.749 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.038 10.482 4.220 1.00 0.00 H new ATOM 0 HE ARG A 137 7.069 10.794 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.683 12.783 4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.865 13.804 3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 137 8.588 12.114 0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 137 9.375 13.427 1.263 1.00 0.00 H new ATOM 191 N LEU A 138 5.473 5.351 2.905 1.00 0.00 N ATOM 192 CA LEU A 138 5.781 3.974 3.272 1.00 0.00 C ATOM 193 C LEU A 138 6.233 3.175 2.051 1.00 0.00 C ATOM 194 O LEU A 138 7.300 2.563 2.060 1.00 0.00 O ATOM 195 CB LEU A 138 4.562 3.304 3.907 1.00 0.00 C ATOM 196 CG LEU A 138 4.780 1.852 4.336 1.00 0.00 C ATOM 197 CD1 LEU A 138 5.753 1.781 5.502 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.458 1.196 4.702 1.00 0.00 C ATOM 0 H LEU A 138 4.503 5.623 3.063 1.00 0.00 H new ATOM 0 HA LEU A 138 6.594 3.993 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.259 3.884 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.735 3.338 3.198 1.00 0.00 H new ATOM 0 HG LEU A 138 5.210 1.307 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 138 5.896 0.741 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.710 2.209 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.352 2.342 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.635 0.164 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 138 2.997 1.741 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.793 1.212 3.839 1.00 0.00 H new ATOM 210 N LEU A 139 5.423 3.195 0.993 1.00 0.00 N ATOM 211 CA LEU A 139 5.754 2.480 -0.233 1.00 0.00 C ATOM 212 C LEU A 139 7.075 2.987 -0.784 1.00 0.00 C ATOM 213 O LEU A 139 7.879 2.221 -1.319 1.00 0.00 O ATOM 214 CB LEU A 139 4.646 2.658 -1.272 1.00 0.00 C ATOM 215 CG LEU A 139 3.435 1.742 -1.090 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.160 2.447 -1.528 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.625 0.449 -1.868 1.00 0.00 C ATOM 0 H LEU A 139 4.536 3.698 0.963 1.00 0.00 H new ATOM 0 HA LEU A 139 5.846 1.418 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.307 3.693 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 139 5.067 2.486 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 139 3.344 1.497 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.310 1.779 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.016 3.345 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.239 2.722 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.754 -0.191 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.742 0.676 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.516 -0.065 -1.507 1.00 0.00 H new ATOM 229 N ALA A 140 7.296 4.286 -0.631 1.00 0.00 N ATOM 230 CA ALA A 140 8.529 4.909 -1.093 1.00 0.00 C ATOM 231 C ALA A 140 9.725 4.325 -0.351 1.00 0.00 C ATOM 232 O ALA A 140 10.788 4.106 -0.933 1.00 0.00 O ATOM 233 CB ALA A 140 8.467 6.417 -0.903 1.00 0.00 C ATOM 0 H ALA A 140 6.638 4.929 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 140 8.646 4.702 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.396 6.866 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.631 6.821 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.330 6.645 0.154 1.00 0.00 H new ATOM 239 N GLU A 141 9.536 4.069 0.940 1.00 0.00 N ATOM 240 CA GLU A 141 10.587 3.501 1.773 1.00 0.00 C ATOM 241 C GLU A 141 10.777 2.021 1.459 1.00 0.00 C ATOM 242 O GLU A 141 11.903 1.528 1.393 1.00 0.00 O ATOM 243 CB GLU A 141 10.246 3.680 3.254 1.00 0.00 C ATOM 244 CG GLU A 141 10.433 5.103 3.754 1.00 0.00 C ATOM 245 CD GLU A 141 11.646 5.251 4.650 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.781 5.197 4.128 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.464 5.422 5.874 1.00 0.00 O ATOM 0 H GLU A 141 8.661 4.247 1.432 1.00 0.00 H new ATOM 0 HA GLU A 141 11.517 4.027 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.211 3.379 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.871 3.011 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.532 5.774 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.542 5.412 4.301 1.00 0.00 H new ATOM 254 N HIS A 142 9.664 1.325 1.258 1.00 0.00 N ATOM 255 CA HIS A 142 9.692 -0.099 0.942 1.00 0.00 C ATOM 256 C HIS A 142 10.026 -0.328 -0.533 1.00 0.00 C ATOM 257 O HIS A 142 10.121 -1.469 -0.983 1.00 0.00 O ATOM 258 CB HIS A 142 8.342 -0.737 1.265 1.00 0.00 C ATOM 259 CG HIS A 142 8.080 -0.895 2.732 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.397 -2.039 3.435 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.519 -0.050 3.629 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.040 -1.889 4.699 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.507 -0.691 4.842 1.00 0.00 N ATOM 0 H HIS A 142 8.727 1.725 1.308 1.00 0.00 H new ATOM 0 HA HIS A 142 10.469 -0.563 1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.550 -0.129 0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.291 -1.716 0.789 1.00 0.00 H new ATOM 0 HD1 HIS A 142 8.838 -2.870 3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.149 0.944 3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.164 -2.623 5.482 1.00 0.00 H new ATOM 272 N ASN A 143 10.190 0.764 -1.280 1.00 0.00 N ATOM 273 CA ASN A 143 10.504 0.692 -2.707 1.00 0.00 C ATOM 274 C ASN A 143 9.594 -0.301 -3.424 1.00 0.00 C ATOM 275 O ASN A 143 10.058 -1.155 -4.179 1.00 0.00 O ATOM 276 CB ASN A 143 11.976 0.318 -2.919 1.00 0.00 C ATOM 277 CG ASN A 143 12.311 -1.074 -2.420 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.577 -1.273 -1.235 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.304 -2.046 -3.324 1.00 0.00 N ATOM 0 H ASN A 143 10.110 1.714 -0.918 1.00 0.00 H new ATOM 0 HA ASN A 143 10.330 1.679 -3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.213 0.384 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.607 1.044 -2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.525 -3.002 -3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.078 -1.837 -4.296 1.00 0.00 H new ATOM 286 N LEU A 144 8.292 -0.176 -3.184 1.00 0.00 N ATOM 287 CA LEU A 144 7.311 -1.056 -3.809 1.00 0.00 C ATOM 288 C LEU A 144 6.512 -0.312 -4.871 1.00 0.00 C ATOM 289 O LEU A 144 6.718 0.880 -5.098 1.00 0.00 O ATOM 290 CB LEU A 144 6.364 -1.632 -2.756 1.00 0.00 C ATOM 291 CG LEU A 144 7.040 -2.129 -1.480 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.002 -2.457 -0.418 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.909 -3.342 -1.775 1.00 0.00 C ATOM 0 H LEU A 144 7.892 0.526 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 144 7.850 -1.873 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.635 -0.867 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.810 -2.459 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 144 7.680 -1.334 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.503 -2.809 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.424 -1.563 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.334 -3.234 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.383 -3.683 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.291 -4.142 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.677 -3.072 -2.500 1.00 0.00 H new ATOM 305 N ASP A 145 5.601 -1.026 -5.519 1.00 0.00 N ATOM 306 CA ASP A 145 4.765 -0.439 -6.560 1.00 0.00 C ATOM 307 C ASP A 145 3.287 -0.599 -6.224 1.00 0.00 C ATOM 308 O ASP A 145 2.783 -1.717 -6.109 1.00 0.00 O ATOM 309 CB ASP A 145 5.067 -1.090 -7.911 1.00 0.00 C ATOM 310 CG ASP A 145 5.008 -0.099 -9.057 1.00 0.00 C ATOM 311 OD1 ASP A 145 5.231 1.105 -8.813 1.00 0.00 O ATOM 312 OD2 ASP A 145 4.739 -0.527 -10.198 1.00 0.00 O ATOM 0 H ASP A 145 5.421 -2.014 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 145 4.992 0.625 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 145 6.057 -1.545 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.353 -1.893 -8.092 1.00 0.00 H new ATOM 317 N ALA A 146 2.593 0.526 -6.069 1.00 0.00 N ATOM 318 CA ALA A 146 1.170 0.507 -5.748 1.00 0.00 C ATOM 319 C ALA A 146 0.389 -0.312 -6.770 1.00 0.00 C ATOM 320 O ALA A 146 -0.539 -1.040 -6.419 1.00 0.00 O ATOM 321 CB ALA A 146 0.626 1.927 -5.678 1.00 0.00 C ATOM 0 H ALA A 146 2.993 1.460 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 146 1.048 0.035 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.437 1.898 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.158 2.483 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.767 2.419 -6.641 1.00 0.00 H new ATOM 327 N SER A 147 0.775 -0.190 -8.036 1.00 0.00 N ATOM 328 CA SER A 147 0.114 -0.923 -9.110 1.00 0.00 C ATOM 329 C SER A 147 0.347 -2.423 -8.964 1.00 0.00 C ATOM 330 O SER A 147 -0.463 -3.233 -9.414 1.00 0.00 O ATOM 331 CB SER A 147 0.624 -0.444 -10.470 1.00 0.00 C ATOM 332 OG SER A 147 2.037 -0.330 -10.476 1.00 0.00 O ATOM 0 H SER A 147 1.541 0.409 -8.343 1.00 0.00 H new ATOM 0 HA SER A 147 -0.957 -0.732 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.309 -1.142 -11.246 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.178 0.521 -10.710 1.00 0.00 H new ATOM 0 HG SER A 147 2.432 -1.138 -10.086 1.00 0.00 H new ATOM 338 N ALA A 148 1.458 -2.787 -8.330 1.00 0.00 N ATOM 339 CA ALA A 148 1.795 -4.190 -8.123 1.00 0.00 C ATOM 340 C ALA A 148 1.098 -4.757 -6.886 1.00 0.00 C ATOM 341 O ALA A 148 1.285 -5.923 -6.540 1.00 0.00 O ATOM 342 CB ALA A 148 3.302 -4.356 -8.000 1.00 0.00 C ATOM 0 H ALA A 148 2.139 -2.129 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 148 1.443 -4.749 -8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.541 -5.408 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.782 -4.005 -8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.664 -3.774 -7.153 1.00 0.00 H new ATOM 348 N ILE A 149 0.295 -3.927 -6.222 1.00 0.00 N ATOM 349 CA ILE A 149 -0.422 -4.354 -5.027 1.00 0.00 C ATOM 350 C ILE A 149 -1.891 -3.951 -5.097 1.00 0.00 C ATOM 351 O ILE A 149 -2.259 -3.035 -5.834 1.00 0.00 O ATOM 352 CB ILE A 149 0.199 -3.756 -3.751 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.727 -3.823 -3.814 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.317 -4.484 -2.518 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.410 -3.207 -2.613 1.00 0.00 C ATOM 0 H ILE A 149 0.126 -2.958 -6.492 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.344 -5.440 -4.984 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.095 -2.709 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.033 -4.865 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.068 -3.314 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.131 -4.049 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.401 -4.386 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -0.051 -5.539 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.491 -3.291 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.133 -2.155 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.099 -3.730 -1.709 1.00 0.00 H new ATOM 367 N LYS A 150 -2.726 -4.639 -4.327 1.00 0.00 N ATOM 368 CA LYS A 150 -4.155 -4.351 -4.303 1.00 0.00 C ATOM 369 C LYS A 150 -4.587 -3.848 -2.929 1.00 0.00 C ATOM 370 O LYS A 150 -4.259 -4.448 -1.906 1.00 0.00 O ATOM 371 CB LYS A 150 -4.957 -5.599 -4.675 1.00 0.00 C ATOM 372 CG LYS A 150 -4.803 -6.008 -6.131 1.00 0.00 C ATOM 373 CD LYS A 150 -4.765 -7.521 -6.285 1.00 0.00 C ATOM 374 CE LYS A 150 -4.505 -7.929 -7.726 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.152 -8.529 -7.898 1.00 0.00 N ATOM 0 H LYS A 150 -2.438 -5.400 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.352 -3.569 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.643 -6.426 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -6.012 -5.419 -4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.631 -5.603 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.887 -5.577 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.987 -7.933 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.712 -7.945 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.263 -8.646 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.600 -7.057 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.014 -8.794 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.427 -7.837 -7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.069 -9.376 -7.300 1.00 0.00 H new ATOM 389 N GLY A 151 -5.323 -2.742 -2.916 1.00 0.00 N ATOM 390 CA GLY A 151 -5.788 -2.176 -1.663 1.00 0.00 C ATOM 391 C GLY A 151 -7.176 -2.663 -1.291 1.00 0.00 C ATOM 392 O GLY A 151 -8.047 -2.789 -2.151 1.00 0.00 O ATOM 0 H GLY A 151 -5.606 -2.228 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.089 -2.436 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.795 -1.089 -1.738 1.00 0.00 H new ATOM 396 N THR A 152 -7.383 -2.941 -0.006 1.00 0.00 N ATOM 397 CA THR A 152 -8.676 -3.422 0.471 1.00 0.00 C ATOM 398 C THR A 152 -9.209 -2.543 1.600 1.00 0.00 C ATOM 399 O THR A 152 -9.895 -3.024 2.502 1.00 0.00 O ATOM 400 CB THR A 152 -8.558 -4.870 0.951 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.265 -5.121 1.474 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.817 -5.884 -0.141 1.00 0.00 C ATOM 0 H THR A 152 -6.674 -2.842 0.721 1.00 0.00 H new ATOM 0 HA THR A 152 -9.379 -3.375 -0.361 1.00 0.00 H new ATOM 0 HB THR A 152 -9.323 -4.984 1.719 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.210 -6.051 1.777 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.717 -6.890 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.826 -5.749 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 152 -8.095 -5.745 -0.945 1.00 0.00 H new ATOM 410 N GLY A 153 -8.894 -1.254 1.542 1.00 0.00 N ATOM 411 CA GLY A 153 -9.354 -0.332 2.564 1.00 0.00 C ATOM 412 C GLY A 153 -10.862 -0.175 2.567 1.00 0.00 C ATOM 413 O GLY A 153 -11.595 -1.151 2.414 1.00 0.00 O ATOM 0 H GLY A 153 -8.329 -0.831 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.027 -0.685 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.891 0.642 2.406 1.00 0.00 H new ATOM 417 N VAL A 154 -11.325 1.059 2.740 1.00 0.00 N ATOM 418 CA VAL A 154 -12.755 1.343 2.761 1.00 0.00 C ATOM 419 C VAL A 154 -13.317 1.436 1.345 1.00 0.00 C ATOM 420 O VAL A 154 -13.826 2.479 0.934 1.00 0.00 O ATOM 421 CB VAL A 154 -13.056 2.654 3.511 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.555 2.837 3.690 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.344 2.675 4.856 1.00 0.00 C ATOM 0 H VAL A 154 -10.731 1.878 2.868 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.235 0.517 3.285 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.682 3.486 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.747 3.769 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.037 2.871 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.958 2.002 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.568 3.609 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.685 1.835 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.268 2.596 4.699 1.00 0.00 H new ATOM 433 N GLY A 155 -13.221 0.338 0.603 1.00 0.00 N ATOM 434 CA GLY A 155 -13.723 0.317 -0.758 1.00 0.00 C ATOM 435 C GLY A 155 -12.615 0.180 -1.785 1.00 0.00 C ATOM 436 O GLY A 155 -12.759 0.620 -2.925 1.00 0.00 O ATOM 0 H GLY A 155 -12.805 -0.538 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.423 -0.511 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.281 1.234 -0.950 1.00 0.00 H new ATOM 440 N GLY A 156 -11.506 -0.430 -1.379 1.00 0.00 N ATOM 441 CA GLY A 156 -10.387 -0.612 -2.285 1.00 0.00 C ATOM 442 C GLY A 156 -9.271 0.383 -2.036 1.00 0.00 C ATOM 443 O GLY A 156 -8.607 0.828 -2.973 1.00 0.00 O ATOM 0 H GLY A 156 -11.362 -0.801 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.998 -1.624 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.736 -0.512 -3.313 1.00 0.00 H new ATOM 447 N ARG A 157 -9.061 0.732 -0.771 1.00 0.00 N ATOM 448 CA ARG A 157 -8.017 1.682 -0.403 1.00 0.00 C ATOM 449 C ARG A 157 -6.836 0.963 0.241 1.00 0.00 C ATOM 450 O ARG A 157 -6.949 0.426 1.343 1.00 0.00 O ATOM 451 CB ARG A 157 -8.565 2.741 0.559 1.00 0.00 C ATOM 452 CG ARG A 157 -10.032 3.075 0.336 1.00 0.00 C ATOM 453 CD ARG A 157 -10.332 4.524 0.682 1.00 0.00 C ATOM 454 NE ARG A 157 -9.898 4.866 2.033 1.00 0.00 N ATOM 455 CZ ARG A 157 -10.337 5.926 2.708 1.00 0.00 C ATOM 456 NH1 ARG A 157 -11.223 6.750 2.160 1.00 0.00 N ATOM 457 NH2 ARG A 157 -9.890 6.165 3.934 1.00 0.00 N ATOM 0 H ARG A 157 -9.600 0.371 0.017 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.676 2.174 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.434 2.391 1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.975 3.652 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -10.295 2.886 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.653 2.418 0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.835 5.178 -0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -11.403 4.704 0.589 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.218 4.256 2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -11.570 6.572 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.556 7.561 2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.209 5.536 4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.227 6.978 4.450 1.00 0.00 H new ATOM 471 N LEU A 158 -5.703 0.955 -0.454 1.00 0.00 N ATOM 472 CA LEU A 158 -4.500 0.299 0.051 1.00 0.00 C ATOM 473 C LEU A 158 -4.180 0.765 1.470 1.00 0.00 C ATOM 474 O LEU A 158 -4.282 1.951 1.780 1.00 0.00 O ATOM 475 CB LEU A 158 -3.317 0.579 -0.880 1.00 0.00 C ATOM 476 CG LEU A 158 -2.168 -0.435 -0.824 1.00 0.00 C ATOM 477 CD1 LEU A 158 -2.695 -1.862 -0.793 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.243 -0.243 -2.013 1.00 0.00 C ATOM 0 H LEU A 158 -5.592 1.395 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.681 -0.775 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.688 0.623 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.918 1.565 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.608 -0.262 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -1.857 -2.558 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -3.323 -1.999 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -3.283 -2.052 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.431 -0.968 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -1.803 -0.388 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -0.830 0.766 -1.994 1.00 0.00 H new ATOM 490 N THR A 159 -3.806 -0.179 2.330 1.00 0.00 N ATOM 491 CA THR A 159 -3.487 0.141 3.717 1.00 0.00 C ATOM 492 C THR A 159 -2.141 -0.445 4.130 1.00 0.00 C ATOM 493 O THR A 159 -1.589 -1.311 3.447 1.00 0.00 O ATOM 494 CB THR A 159 -4.583 -0.389 4.643 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.192 -1.542 4.092 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.676 0.620 4.915 1.00 0.00 C ATOM 0 H THR A 159 -3.717 -1.167 2.092 1.00 0.00 H new ATOM 0 HA THR A 159 -3.427 1.226 3.802 1.00 0.00 H new ATOM 0 HB THR A 159 -4.080 -0.619 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 159 -5.889 -1.866 4.700 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.421 0.180 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.246 1.503 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.150 0.905 3.976 1.00 0.00 H new ATOM 504 N ARG A 160 -1.625 0.026 5.263 1.00 0.00 N ATOM 505 CA ARG A 160 -0.349 -0.452 5.781 1.00 0.00 C ATOM 506 C ARG A 160 -0.379 -1.966 5.947 1.00 0.00 C ATOM 507 O ARG A 160 0.633 -2.644 5.767 1.00 0.00 O ATOM 508 CB ARG A 160 -0.033 0.215 7.122 1.00 0.00 C ATOM 509 CG ARG A 160 0.024 1.733 7.047 1.00 0.00 C ATOM 510 CD ARG A 160 1.427 2.257 7.318 1.00 0.00 C ATOM 511 NE ARG A 160 1.516 2.946 8.604 1.00 0.00 N ATOM 512 CZ ARG A 160 1.124 4.203 8.801 1.00 0.00 C ATOM 513 NH1 ARG A 160 0.609 4.910 7.802 1.00 0.00 N ATOM 514 NH2 ARG A 160 1.246 4.754 10.001 1.00 0.00 N ATOM 0 H ARG A 160 -2.073 0.739 5.839 1.00 0.00 H new ATOM 0 HA ARG A 160 0.432 -0.191 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.789 -0.077 7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.923 -0.159 7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.303 2.061 6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.670 2.160 7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.133 1.427 7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.719 2.940 6.520 1.00 0.00 H new ATOM 0 HE ARG A 160 1.901 2.434 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.512 4.491 6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 160 0.310 5.873 7.959 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.640 4.215 10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 160 0.946 5.717 10.153 1.00 0.00 H new ATOM 528 N GLU A 161 -1.555 -2.490 6.277 1.00 0.00 N ATOM 529 CA GLU A 161 -1.726 -3.925 6.451 1.00 0.00 C ATOM 530 C GLU A 161 -1.512 -4.637 5.122 1.00 0.00 C ATOM 531 O GLU A 161 -0.943 -5.728 5.070 1.00 0.00 O ATOM 532 CB GLU A 161 -3.121 -4.235 6.997 1.00 0.00 C ATOM 533 CG GLU A 161 -3.447 -3.497 8.286 1.00 0.00 C ATOM 534 CD GLU A 161 -3.767 -4.436 9.432 1.00 0.00 C ATOM 535 OE1 GLU A 161 -3.009 -5.409 9.632 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.775 -4.199 10.131 1.00 0.00 O ATOM 0 H GLU A 161 -2.402 -1.942 6.429 1.00 0.00 H new ATOM 0 HA GLU A 161 -0.987 -4.282 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.863 -3.976 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.204 -5.308 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.602 -2.867 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.296 -2.835 8.116 1.00 0.00 H new ATOM 543 N ASP A 162 -1.968 -4.003 4.046 1.00 0.00 N ATOM 544 CA ASP A 162 -1.821 -4.560 2.710 1.00 0.00 C ATOM 545 C ASP A 162 -0.351 -4.598 2.312 1.00 0.00 C ATOM 546 O ASP A 162 0.135 -5.598 1.783 1.00 0.00 O ATOM 547 CB ASP A 162 -2.618 -3.732 1.702 1.00 0.00 C ATOM 548 CG ASP A 162 -4.116 -3.870 1.894 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.567 -4.974 2.264 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.837 -2.874 1.675 1.00 0.00 O ATOM 0 H ASP A 162 -2.443 -3.101 4.076 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.209 -5.579 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.338 -2.683 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.354 -4.043 0.691 1.00 0.00 H new ATOM 555 N VAL A 163 0.355 -3.504 2.580 1.00 0.00 N ATOM 556 CA VAL A 163 1.774 -3.416 2.259 1.00 0.00 C ATOM 557 C VAL A 163 2.558 -4.494 2.998 1.00 0.00 C ATOM 558 O VAL A 163 3.482 -5.094 2.449 1.00 0.00 O ATOM 559 CB VAL A 163 2.356 -2.036 2.623 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.801 -1.923 2.160 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.510 -0.923 2.023 1.00 0.00 C ATOM 0 H VAL A 163 -0.032 -2.668 3.018 1.00 0.00 H new ATOM 0 HA VAL A 163 1.867 -3.562 1.183 1.00 0.00 H new ATOM 0 HB VAL A 163 2.337 -1.932 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.193 -0.941 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.399 -2.696 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.848 -2.051 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.937 0.043 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.493 -1.024 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.493 -0.990 2.410 1.00 0.00 H new ATOM 571 N GLU A 164 2.179 -4.737 4.249 1.00 0.00 N ATOM 572 CA GLU A 164 2.842 -5.746 5.065 1.00 0.00 C ATOM 573 C GLU A 164 2.623 -7.138 4.483 1.00 0.00 C ATOM 574 O GLU A 164 3.556 -7.936 4.389 1.00 0.00 O ATOM 575 CB GLU A 164 2.322 -5.693 6.503 1.00 0.00 C ATOM 576 CG GLU A 164 2.757 -4.451 7.263 1.00 0.00 C ATOM 577 CD GLU A 164 2.102 -4.343 8.627 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.590 -4.996 9.572 1.00 0.00 O ATOM 579 OE2 GLU A 164 1.101 -3.605 8.748 1.00 0.00 O ATOM 0 H GLU A 164 1.417 -4.249 4.719 1.00 0.00 H new ATOM 0 HA GLU A 164 3.911 -5.534 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.233 -5.737 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.669 -6.577 7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.840 -4.464 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.513 -3.566 6.676 1.00 0.00 H new ATOM 586 N LYS A 165 1.385 -7.420 4.091 1.00 0.00 N ATOM 587 CA LYS A 165 1.043 -8.715 3.514 1.00 0.00 C ATOM 588 C LYS A 165 1.793 -8.940 2.205 1.00 0.00 C ATOM 589 O LYS A 165 2.231 -10.053 1.913 1.00 0.00 O ATOM 590 CB LYS A 165 -0.465 -8.806 3.272 1.00 0.00 C ATOM 591 CG LYS A 165 -1.270 -9.051 4.539 1.00 0.00 C ATOM 592 CD LYS A 165 -2.559 -8.242 4.548 1.00 0.00 C ATOM 593 CE LYS A 165 -3.752 -9.096 4.946 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.687 -8.362 5.842 1.00 0.00 N ATOM 0 H LYS A 165 0.602 -6.770 4.162 1.00 0.00 H new ATOM 0 HA LYS A 165 1.338 -9.490 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.807 -7.881 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.663 -9.611 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.505 -10.112 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.669 -8.789 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.461 -7.407 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.729 -7.816 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -4.284 -9.416 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.401 -9.998 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.486 -8.979 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -4.187 -8.078 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.042 -7.515 5.354 1.00 0.00 H new ATOM 608 N TRP A 166 1.938 -7.877 1.421 1.00 0.00 N ATOM 609 CA TRP A 166 2.636 -7.958 0.143 1.00 0.00 C ATOM 610 C TRP A 166 4.136 -8.123 0.356 1.00 0.00 C ATOM 611 O TRP A 166 4.783 -8.936 -0.308 1.00 0.00 O ATOM 612 CB TRP A 166 2.363 -6.705 -0.690 1.00 0.00 C ATOM 613 CG TRP A 166 2.958 -6.765 -2.064 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.055 -6.086 -2.513 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.488 -7.544 -3.170 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.295 -6.396 -3.829 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.347 -7.290 -4.255 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.424 -8.433 -3.347 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.175 -7.892 -5.499 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.254 -9.031 -4.582 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.126 -8.758 -5.644 1.00 0.00 C ATOM 0 H TRP A 166 1.581 -6.949 1.648 1.00 0.00 H new ATOM 0 HA TRP A 166 2.264 -8.831 -0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.286 -6.561 -0.774 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.761 -5.836 -0.167 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.647 -5.405 -1.920 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.055 -6.022 -4.397 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.747 -8.649 -2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.845 -7.683 -6.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.436 -9.720 -4.730 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.967 -9.241 -6.597 1.00 0.00 H new ATOM 632 N LEU A 167 4.685 -7.349 1.286 1.00 0.00 N ATOM 633 CA LEU A 167 6.111 -7.408 1.588 1.00 0.00 C ATOM 634 C LEU A 167 6.523 -8.816 2.004 1.00 0.00 C ATOM 635 O LEU A 167 7.601 -9.290 1.646 1.00 0.00 O ATOM 636 CB LEU A 167 6.459 -6.414 2.698 1.00 0.00 C ATOM 637 CG LEU A 167 6.551 -4.954 2.253 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.291 -4.022 3.427 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.910 -4.671 1.634 1.00 0.00 C ATOM 0 H LEU A 167 4.164 -6.673 1.844 1.00 0.00 H new ATOM 0 HA LEU A 167 6.659 -7.142 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.707 -6.492 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.412 -6.704 3.139 1.00 0.00 H new ATOM 0 HG LEU A 167 5.786 -4.774 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.360 -2.987 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.294 -4.208 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.032 -4.202 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.958 -3.627 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.692 -4.867 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.056 -5.315 0.767 1.00 0.00 H new ATOM 651 N ALA A 168 5.656 -9.479 2.759 1.00 0.00 N ATOM 652 CA ALA A 168 5.926 -10.834 3.225 1.00 0.00 C ATOM 653 C ALA A 168 6.108 -11.791 2.051 1.00 0.00 C ATOM 654 O ALA A 168 6.849 -12.769 2.144 1.00 0.00 O ATOM 655 CB ALA A 168 4.803 -11.314 4.131 1.00 0.00 C ATOM 0 H ALA A 168 4.759 -9.100 3.062 1.00 0.00 H new ATOM 0 HA ALA A 168 6.855 -10.818 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.018 -12.327 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.722 -10.651 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.863 -11.308 3.579 1.00 0.00 H new ATOM 661 N LYS A 169 5.426 -11.502 0.947 1.00 0.00 N ATOM 662 CA LYS A 169 5.511 -12.337 -0.246 1.00 0.00 C ATOM 663 C LYS A 169 5.959 -11.515 -1.451 1.00 0.00 C ATOM 664 O LYS A 169 5.159 -11.203 -2.334 1.00 0.00 O ATOM 665 CB LYS A 169 4.161 -12.993 -0.533 1.00 0.00 C ATOM 666 CG LYS A 169 3.487 -13.569 0.702 1.00 0.00 C ATOM 667 CD LYS A 169 2.772 -14.876 0.392 1.00 0.00 C ATOM 668 CE LYS A 169 1.401 -14.936 1.048 1.00 0.00 C ATOM 669 NZ LYS A 169 0.332 -15.275 0.069 1.00 0.00 N ATOM 0 H LYS A 169 4.808 -10.696 0.854 1.00 0.00 H new ATOM 0 HA LYS A 169 6.251 -13.116 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.498 -12.257 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 169 4.302 -13.789 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 169 4.233 -13.737 1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.772 -12.847 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.664 -14.985 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 169 3.378 -15.713 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.412 -15.679 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 169 1.178 -13.975 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -0.587 -15.306 0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 0.304 -14.552 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.531 -16.204 -0.355 1.00 0.00 H new ATOM 683 N ALA A 170 7.242 -11.170 -1.482 1.00 0.00 N ATOM 684 CA ALA A 170 7.796 -10.385 -2.579 1.00 0.00 C ATOM 685 C ALA A 170 9.139 -10.945 -3.031 1.00 0.00 C ATOM 686 O ALA A 170 9.874 -10.222 -3.738 1.00 0.00 O ATOM 687 CB ALA A 170 7.941 -8.929 -2.164 1.00 0.00 C ATOM 688 OXT ALA A 170 9.446 -12.103 -2.677 1.00 0.00 O ATOM 0 H ALA A 170 7.917 -11.422 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 170 7.106 -10.444 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.356 -8.354 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.963 -8.528 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.608 -8.860 -1.305 1.00 0.00 H new TER 694 ALA A 170