USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=3 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc=-0.00225 X(o=-0.0023,f=-0.43) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -127:sc= 0.00144 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 165:sc= -2.3! (180deg=-2.86!) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -19.163 -24.805 2.569 1.00 0.00 N ATOM 2 CA ILE A 88 -18.340 -25.849 3.165 1.00 0.00 C ATOM 3 C ILE A 88 -17.054 -25.271 3.743 1.00 0.00 C ATOM 4 O ILE A 88 -16.528 -24.276 3.243 1.00 0.00 O ATOM 5 CB ILE A 88 -17.983 -26.940 2.138 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.239 -27.406 1.399 1.00 0.00 C ATOM 7 CG2 ILE A 88 -17.301 -28.113 2.827 1.00 0.00 C ATOM 8 CD1 ILE A 88 -20.294 -27.990 2.311 1.00 0.00 C ATOM 0 HA ILE A 88 -18.928 -26.295 3.967 1.00 0.00 H new ATOM 0 HB ILE A 88 -17.290 -26.519 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -19.666 -26.562 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.958 -28.153 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -17.055 -28.876 2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.387 -27.769 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -17.972 -28.536 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -21.156 -28.299 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -19.885 -28.854 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -20.603 -27.239 3.037 1.00 0.00 H new ATOM 20 N ASP A 89 -16.550 -25.901 4.799 1.00 0.00 N ATOM 21 CA ASP A 89 -15.323 -25.451 5.445 1.00 0.00 C ATOM 22 C ASP A 89 -14.166 -25.418 4.451 1.00 0.00 C ATOM 23 O ASP A 89 -13.481 -24.405 4.313 1.00 0.00 O ATOM 24 CB ASP A 89 -14.976 -26.366 6.621 1.00 0.00 C ATOM 25 CG ASP A 89 -14.228 -25.637 7.720 1.00 0.00 C ATOM 26 OD1 ASP A 89 -14.861 -24.833 8.437 1.00 0.00 O ATOM 27 OD2 ASP A 89 -13.010 -25.870 7.864 1.00 0.00 O ATOM 0 H ASP A 89 -16.973 -26.725 5.226 1.00 0.00 H new ATOM 0 HA ASP A 89 -15.487 -24.440 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.893 -26.791 7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -14.370 -27.199 6.263 1.00 0.00 H new ATOM 32 N VAL A 90 -13.954 -26.534 3.760 1.00 0.00 N ATOM 33 CA VAL A 90 -12.881 -26.634 2.779 1.00 0.00 C ATOM 34 C VAL A 90 -13.074 -25.628 1.650 1.00 0.00 C ATOM 35 O VAL A 90 -12.105 -25.102 1.100 1.00 0.00 O ATOM 36 CB VAL A 90 -12.796 -28.051 2.181 1.00 0.00 C ATOM 37 CG1 VAL A 90 -12.468 -29.068 3.263 1.00 0.00 C ATOM 38 CG2 VAL A 90 -14.096 -28.409 1.477 1.00 0.00 C ATOM 0 H VAL A 90 -14.512 -27.382 3.862 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.951 -26.414 3.304 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.993 -28.069 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.412 -30.063 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.510 -28.818 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.247 -29.052 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -14.019 -29.413 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.918 -28.375 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.283 -27.696 0.674 1.00 0.00 H new ATOM 48 N LEU A 91 -14.330 -25.365 1.308 1.00 0.00 N ATOM 49 CA LEU A 91 -14.652 -24.420 0.244 1.00 0.00 C ATOM 50 C LEU A 91 -14.250 -23.002 0.634 1.00 0.00 C ATOM 51 O LEU A 91 -13.638 -22.280 -0.153 1.00 0.00 O ATOM 52 CB LEU A 91 -16.147 -24.470 -0.075 1.00 0.00 C ATOM 53 CG LEU A 91 -16.648 -23.454 -1.100 1.00 0.00 C ATOM 54 CD1 LEU A 91 -17.365 -24.158 -2.241 1.00 0.00 C ATOM 55 CD2 LEU A 91 -17.566 -22.436 -0.438 1.00 0.00 C ATOM 0 H LEU A 91 -15.143 -25.793 1.752 1.00 0.00 H new ATOM 0 HA LEU A 91 -14.088 -24.706 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.388 -25.470 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.701 -24.324 0.852 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.788 -22.925 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -17.715 -23.419 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.678 -24.847 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -18.217 -24.713 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -17.913 -21.720 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -18.423 -22.949 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -17.020 -21.909 0.345 1.00 0.00 H new ATOM 67 N ARG A 92 -14.597 -22.610 1.856 1.00 0.00 N ATOM 68 CA ARG A 92 -14.272 -21.278 2.352 1.00 0.00 C ATOM 69 C ARG A 92 -12.770 -21.133 2.577 1.00 0.00 C ATOM 70 O ARG A 92 -12.215 -20.043 2.446 1.00 0.00 O ATOM 71 CB ARG A 92 -15.023 -20.998 3.655 1.00 0.00 C ATOM 72 CG ARG A 92 -15.288 -19.521 3.900 1.00 0.00 C ATOM 73 CD ARG A 92 -16.257 -19.313 5.054 1.00 0.00 C ATOM 74 NE ARG A 92 -15.958 -18.099 5.807 1.00 0.00 N ATOM 75 CZ ARG A 92 -16.285 -16.879 5.396 1.00 0.00 C ATOM 76 NH1 ARG A 92 -16.919 -16.713 4.243 1.00 0.00 N ATOM 77 NH2 ARG A 92 -15.978 -15.822 6.138 1.00 0.00 N ATOM 0 H ARG A 92 -15.103 -23.196 2.520 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.581 -20.552 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.974 -21.531 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.447 -21.399 4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.348 -19.013 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -15.695 -19.068 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.275 -19.258 4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.215 -20.173 5.722 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.471 -18.193 6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.156 -17.523 3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -17.169 -15.775 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.490 -15.946 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.230 -14.886 5.821 1.00 0.00 H new ATOM 91 N ALA A 93 -12.119 -22.240 2.919 1.00 0.00 N ATOM 92 CA ALA A 93 -10.681 -22.237 3.161 1.00 0.00 C ATOM 93 C ALA A 93 -9.922 -21.701 1.952 1.00 0.00 C ATOM 94 O ALA A 93 -8.968 -20.936 2.094 1.00 0.00 O ATOM 95 CB ALA A 93 -10.202 -23.638 3.510 1.00 0.00 C ATOM 0 H ALA A 93 -12.564 -23.150 3.035 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.480 -21.576 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.127 -23.621 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.713 -23.984 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.422 -24.314 2.684 1.00 0.00 H new ATOM 101 N LYS A 94 -10.350 -22.109 0.762 1.00 0.00 N ATOM 102 CA LYS A 94 -9.711 -21.670 -0.473 1.00 0.00 C ATOM 103 C LYS A 94 -9.969 -20.187 -0.722 1.00 0.00 C ATOM 104 O LYS A 94 -9.120 -19.483 -1.268 1.00 0.00 O ATOM 105 CB LYS A 94 -10.223 -22.493 -1.657 1.00 0.00 C ATOM 106 CG LYS A 94 -9.670 -23.907 -1.699 1.00 0.00 C ATOM 107 CD LYS A 94 -10.229 -24.690 -2.875 1.00 0.00 C ATOM 108 CE LYS A 94 -11.179 -25.786 -2.415 1.00 0.00 C ATOM 109 NZ LYS A 94 -12.095 -26.220 -3.506 1.00 0.00 N ATOM 0 H LYS A 94 -11.137 -22.743 0.627 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.637 -21.822 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.311 -22.539 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.962 -21.982 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.583 -23.871 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.913 -24.422 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.753 -24.012 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.409 -25.132 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.603 -26.642 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.766 -25.427 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.726 -26.967 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.663 -25.409 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.536 -26.587 -4.303 1.00 0.00 H new ATOM 123 N ALA A 95 -11.145 -19.719 -0.316 1.00 0.00 N ATOM 124 CA ALA A 95 -11.512 -18.320 -0.491 1.00 0.00 C ATOM 125 C ALA A 95 -10.609 -17.408 0.331 1.00 0.00 C ATOM 126 O ALA A 95 -10.318 -16.281 -0.070 1.00 0.00 O ATOM 127 CB ALA A 95 -12.969 -18.105 -0.110 1.00 0.00 C ATOM 0 H ALA A 95 -11.860 -20.289 0.136 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.381 -18.065 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.229 -17.055 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.606 -18.722 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.117 -18.384 0.933 1.00 0.00 H new ATOM 133 N ALA A 96 -10.169 -17.901 1.483 1.00 0.00 N ATOM 134 CA ALA A 96 -9.296 -17.131 2.362 1.00 0.00 C ATOM 135 C ALA A 96 -7.906 -16.976 1.756 1.00 0.00 C ATOM 136 O ALA A 96 -7.221 -15.980 1.993 1.00 0.00 O ATOM 137 CB ALA A 96 -9.208 -17.791 3.730 1.00 0.00 C ATOM 0 H ALA A 96 -10.403 -18.831 1.831 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.726 -16.136 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.553 -17.205 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.202 -17.843 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.805 -18.798 3.623 1.00 0.00 H new ATOM 143 N LYS A 97 -7.492 -17.967 0.974 1.00 0.00 N ATOM 144 CA LYS A 97 -6.183 -17.942 0.333 1.00 0.00 C ATOM 145 C LYS A 97 -6.134 -16.882 -0.763 1.00 0.00 C ATOM 146 O LYS A 97 -5.116 -16.218 -0.951 1.00 0.00 O ATOM 147 CB LYS A 97 -5.853 -19.315 -0.255 1.00 0.00 C ATOM 148 CG LYS A 97 -4.757 -20.052 0.496 1.00 0.00 C ATOM 149 CD LYS A 97 -3.395 -19.816 -0.133 1.00 0.00 C ATOM 150 CE LYS A 97 -2.462 -20.995 0.099 1.00 0.00 C ATOM 151 NZ LYS A 97 -1.129 -20.558 0.600 1.00 0.00 N ATOM 0 H LYS A 97 -8.045 -18.799 0.769 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.440 -17.691 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.755 -19.927 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.550 -19.192 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.741 -19.722 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.975 -21.120 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.512 -19.648 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.952 -18.912 0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.913 -21.679 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.337 -21.548 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.523 -21.390 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.687 -19.925 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.246 -20.053 1.502 1.00 0.00 H new ATOM 165 N GLU A 98 -7.242 -16.730 -1.483 1.00 0.00 N ATOM 166 CA GLU A 98 -7.323 -15.751 -2.560 1.00 0.00 C ATOM 167 C GLU A 98 -7.571 -14.351 -2.005 1.00 0.00 C ATOM 168 O GLU A 98 -7.004 -13.371 -2.487 1.00 0.00 O ATOM 169 CB GLU A 98 -8.438 -16.128 -3.538 1.00 0.00 C ATOM 170 CG GLU A 98 -8.699 -15.072 -4.600 1.00 0.00 C ATOM 171 CD GLU A 98 -9.727 -14.048 -4.163 1.00 0.00 C ATOM 172 OE1 GLU A 98 -10.900 -14.431 -3.968 1.00 0.00 O ATOM 173 OE2 GLU A 98 -9.360 -12.863 -4.017 1.00 0.00 O ATOM 0 H GLU A 98 -8.094 -17.272 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.370 -15.750 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.179 -17.067 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.357 -16.303 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.765 -14.564 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.041 -15.558 -5.514 1.00 0.00 H new ATOM 180 N ARG A 99 -8.423 -14.267 -0.988 1.00 0.00 N ATOM 181 CA ARG A 99 -8.748 -12.988 -0.367 1.00 0.00 C ATOM 182 C ARG A 99 -7.524 -12.391 0.321 1.00 0.00 C ATOM 183 O ARG A 99 -7.291 -11.184 0.259 1.00 0.00 O ATOM 184 CB ARG A 99 -9.882 -13.161 0.645 1.00 0.00 C ATOM 185 CG ARG A 99 -11.239 -12.722 0.120 1.00 0.00 C ATOM 186 CD ARG A 99 -11.261 -11.234 -0.193 1.00 0.00 C ATOM 187 NE ARG A 99 -12.205 -10.511 0.654 1.00 0.00 N ATOM 188 CZ ARG A 99 -13.521 -10.541 0.480 1.00 0.00 C ATOM 189 NH1 ARG A 99 -14.047 -11.256 -0.506 1.00 0.00 N ATOM 190 NH2 ARG A 99 -14.315 -9.856 1.293 1.00 0.00 N ATOM 0 H ARG A 99 -8.900 -15.069 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.072 -12.304 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.938 -14.209 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.647 -12.589 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.483 -13.288 -0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.007 -12.951 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.262 -10.820 -0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.527 -11.088 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.833 -9.952 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.440 -11.785 -1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.058 -11.277 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.915 -9.306 2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.326 -9.880 1.158 1.00 0.00 H new ATOM 204 N ALA A 100 -6.746 -13.245 0.978 1.00 0.00 N ATOM 205 CA ALA A 100 -5.545 -12.803 1.677 1.00 0.00 C ATOM 206 C ALA A 100 -4.606 -12.055 0.737 1.00 0.00 C ATOM 207 O ALA A 100 -4.301 -10.883 0.953 1.00 0.00 O ATOM 208 CB ALA A 100 -4.832 -13.991 2.304 1.00 0.00 C ATOM 0 H ALA A 100 -6.926 -14.247 1.041 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.847 -12.116 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.937 -13.646 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.497 -14.481 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.550 -14.699 1.525 1.00 0.00 H new ATOM 214 N GLU A 101 -4.151 -12.742 -0.307 1.00 0.00 N ATOM 215 CA GLU A 101 -3.245 -12.142 -1.279 1.00 0.00 C ATOM 216 C GLU A 101 -3.854 -10.880 -1.883 1.00 0.00 C ATOM 217 O GLU A 101 -3.147 -9.915 -2.172 1.00 0.00 O ATOM 218 CB GLU A 101 -2.916 -13.144 -2.388 1.00 0.00 C ATOM 219 CG GLU A 101 -1.440 -13.499 -2.468 1.00 0.00 C ATOM 220 CD GLU A 101 -1.207 -14.909 -2.975 1.00 0.00 C ATOM 221 OE1 GLU A 101 -1.547 -15.866 -2.248 1.00 0.00 O ATOM 222 OE2 GLU A 101 -0.684 -15.055 -4.100 1.00 0.00 O ATOM 0 H GLU A 101 -4.395 -13.713 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.326 -11.869 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.492 -14.055 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.234 -12.731 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.935 -12.792 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.990 -13.393 -1.481 1.00 0.00 H new ATOM 229 N ARG A 102 -5.169 -10.896 -2.071 1.00 0.00 N ATOM 230 CA ARG A 102 -5.874 -9.754 -2.642 1.00 0.00 C ATOM 231 C ARG A 102 -5.817 -8.554 -1.701 1.00 0.00 C ATOM 232 O ARG A 102 -5.688 -7.412 -2.142 1.00 0.00 O ATOM 233 CB ARG A 102 -7.330 -10.120 -2.932 1.00 0.00 C ATOM 234 CG ARG A 102 -8.052 -9.102 -3.800 1.00 0.00 C ATOM 235 CD ARG A 102 -9.494 -9.510 -4.055 1.00 0.00 C ATOM 236 NE ARG A 102 -10.437 -8.466 -3.662 1.00 0.00 N ATOM 237 CZ ARG A 102 -11.756 -8.596 -3.749 1.00 0.00 C ATOM 238 NH1 ARG A 102 -12.286 -9.719 -4.212 1.00 0.00 N ATOM 239 NH2 ARG A 102 -12.548 -7.600 -3.371 1.00 0.00 N ATOM 0 H ARG A 102 -5.768 -11.687 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.381 -9.485 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.360 -11.092 -3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.865 -10.224 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.029 -8.127 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.529 -8.997 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.625 -9.737 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.715 -10.424 -3.504 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.062 -7.589 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.681 -10.487 -4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.299 -9.816 -4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.144 -6.734 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.561 -7.700 -3.438 1.00 0.00 H new ATOM 253 N ARG A 103 -5.914 -8.822 -0.403 1.00 0.00 N ATOM 254 CA ARG A 103 -5.876 -7.764 0.600 1.00 0.00 C ATOM 255 C ARG A 103 -4.596 -6.943 0.476 1.00 0.00 C ATOM 256 O ARG A 103 -4.609 -5.723 0.649 1.00 0.00 O ATOM 257 CB ARG A 103 -5.977 -8.361 2.005 1.00 0.00 C ATOM 258 CG ARG A 103 -7.293 -8.056 2.703 1.00 0.00 C ATOM 259 CD ARG A 103 -7.116 -7.969 4.211 1.00 0.00 C ATOM 260 NE ARG A 103 -8.390 -7.793 4.902 1.00 0.00 N ATOM 261 CZ ARG A 103 -9.082 -6.659 4.889 1.00 0.00 C ATOM 262 NH1 ARG A 103 -8.626 -5.608 4.223 1.00 0.00 N ATOM 263 NH2 ARG A 103 -10.235 -6.576 5.542 1.00 0.00 N ATOM 0 H ARG A 103 -6.019 -9.762 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 103 -6.728 -7.105 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.851 -9.442 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.156 -7.980 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.696 -7.115 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -8.021 -8.832 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.630 -8.876 4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.455 -7.136 4.451 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.769 -8.584 5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.742 -5.668 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.160 -4.739 4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.590 -7.383 6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.766 -5.705 5.531 1.00 0.00 H new ATOM 277 N LEU A 104 -3.493 -7.619 0.175 1.00 0.00 N ATOM 278 CA LEU A 104 -2.204 -6.952 0.027 1.00 0.00 C ATOM 279 C LEU A 104 -2.193 -6.054 -1.206 1.00 0.00 C ATOM 280 O LEU A 104 -1.675 -4.938 -1.168 1.00 0.00 O ATOM 281 CB LEU A 104 -1.081 -7.986 -0.071 1.00 0.00 C ATOM 282 CG LEU A 104 0.343 -7.430 -0.111 1.00 0.00 C ATOM 283 CD1 LEU A 104 0.918 -7.334 1.293 1.00 0.00 C ATOM 284 CD2 LEU A 104 1.230 -8.295 -0.994 1.00 0.00 C ATOM 0 H LEU A 104 -3.465 -8.628 0.029 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.042 -6.330 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.162 -8.662 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.242 -8.583 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 104 0.308 -6.427 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.932 -6.936 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.297 -6.672 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.938 -8.325 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.239 -7.884 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.258 -9.310 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.829 -8.312 -2.007 1.00 0.00 H new ATOM 296 N GLN A 105 -2.770 -6.548 -2.296 1.00 0.00 N ATOM 297 CA GLN A 105 -2.828 -5.789 -3.540 1.00 0.00 C ATOM 298 C GLN A 105 -3.469 -4.423 -3.315 1.00 0.00 C ATOM 299 O GLN A 105 -2.992 -3.411 -3.827 1.00 0.00 O ATOM 300 CB GLN A 105 -3.611 -6.564 -4.600 1.00 0.00 C ATOM 301 CG GLN A 105 -2.840 -6.778 -5.892 1.00 0.00 C ATOM 302 CD GLN A 105 -3.522 -7.761 -6.823 1.00 0.00 C ATOM 303 OE1 GLN A 105 -3.712 -8.928 -6.481 1.00 0.00 O ATOM 304 NE2 GLN A 105 -3.893 -7.292 -8.009 1.00 0.00 N ATOM 0 H GLN A 105 -3.204 -7.470 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.807 -5.638 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.896 -7.534 -4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.534 -6.028 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.722 -5.822 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.839 -7.140 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.715 -6.317 -8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.356 -7.907 -8.679 1.00 0.00 H new ATOM 313 N SER A 106 -4.552 -4.403 -2.545 1.00 0.00 N ATOM 314 CA SER A 106 -5.262 -3.162 -2.255 1.00 0.00 C ATOM 315 C SER A 106 -4.321 -2.131 -1.637 1.00 0.00 C ATOM 316 O SER A 106 -4.463 -0.931 -1.869 1.00 0.00 O ATOM 317 CB SER A 106 -6.435 -3.430 -1.310 1.00 0.00 C ATOM 318 OG SER A 106 -7.450 -4.177 -1.957 1.00 0.00 O ATOM 0 H SER A 106 -4.957 -5.232 -2.110 1.00 0.00 H new ATOM 0 HA SER A 106 -5.645 -2.763 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.083 -3.973 -0.433 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.845 -2.484 -0.956 1.00 0.00 H new ATOM 0 HG SER A 106 -8.188 -4.337 -1.332 1.00 0.00 H new ATOM 324 N GLN A 107 -3.363 -2.609 -0.851 1.00 0.00 N ATOM 325 CA GLN A 107 -2.400 -1.729 -0.199 1.00 0.00 C ATOM 326 C GLN A 107 -1.396 -1.180 -1.207 1.00 0.00 C ATOM 327 O GLN A 107 -0.979 -0.026 -1.115 1.00 0.00 O ATOM 328 CB GLN A 107 -1.665 -2.478 0.915 1.00 0.00 C ATOM 329 CG GLN A 107 -1.823 -1.838 2.285 1.00 0.00 C ATOM 330 CD GLN A 107 -0.837 -2.380 3.300 1.00 0.00 C ATOM 331 OE1 GLN A 107 0.348 -2.542 3.005 1.00 0.00 O ATOM 332 NE2 GLN A 107 -1.321 -2.663 4.503 1.00 0.00 N ATOM 0 H GLN A 107 -3.232 -3.600 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.946 -0.892 0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -2.034 -3.503 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.605 -2.531 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.690 -0.760 2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.838 -2.006 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.310 -2.513 4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -0.704 -3.031 5.227 1.00 0.00 H new ATOM 341 N GLN A 108 -1.011 -2.015 -2.167 1.00 0.00 N ATOM 342 CA GLN A 108 -0.054 -1.612 -3.191 1.00 0.00 C ATOM 343 C GLN A 108 -0.616 -0.480 -4.045 1.00 0.00 C ATOM 344 O GLN A 108 -0.033 0.603 -4.118 1.00 0.00 O ATOM 345 CB GLN A 108 0.308 -2.805 -4.078 1.00 0.00 C ATOM 346 CG GLN A 108 1.340 -2.478 -5.145 1.00 0.00 C ATOM 347 CD GLN A 108 2.659 -3.190 -4.918 1.00 0.00 C ATOM 348 OE1 GLN A 108 3.352 -2.937 -3.933 1.00 0.00 O ATOM 349 NE2 GLN A 108 3.012 -4.088 -5.830 1.00 0.00 N ATOM 0 H GLN A 108 -1.347 -2.974 -2.257 1.00 0.00 H new ATOM 0 HA GLN A 108 0.846 -1.254 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.689 -3.611 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.596 -3.176 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.946 -2.754 -6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 108 1.511 -1.402 -5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.407 -4.266 -6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.889 -4.600 -5.729 1.00 0.00 H new ATOM 358 N ASP A 109 -1.749 -0.736 -4.688 1.00 0.00 N ATOM 359 CA ASP A 109 -2.389 0.262 -5.537 1.00 0.00 C ATOM 360 C ASP A 109 -3.462 1.024 -4.765 1.00 0.00 C ATOM 361 O ASP A 109 -4.522 1.341 -5.305 1.00 0.00 O ATOM 362 CB ASP A 109 -3.005 -0.404 -6.768 1.00 0.00 C ATOM 363 CG ASP A 109 -1.978 -1.146 -7.600 1.00 0.00 C ATOM 364 OD1 ASP A 109 -0.783 -0.796 -7.516 1.00 0.00 O ATOM 365 OD2 ASP A 109 -2.370 -2.076 -8.337 1.00 0.00 O ATOM 0 H ASP A 109 -2.244 -1.627 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.627 0.971 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.782 -1.099 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.488 0.354 -7.384 1.00 0.00 H new ATOM 370 N ASP A 110 -3.180 1.314 -3.500 1.00 0.00 N ATOM 371 CA ASP A 110 -4.120 2.038 -2.653 1.00 0.00 C ATOM 372 C ASP A 110 -4.349 3.452 -3.180 1.00 0.00 C ATOM 373 O ASP A 110 -5.441 4.004 -3.050 1.00 0.00 O ATOM 374 CB ASP A 110 -3.605 2.095 -1.214 1.00 0.00 C ATOM 375 CG ASP A 110 -4.726 2.049 -0.195 1.00 0.00 C ATOM 376 OD1 ASP A 110 -5.506 3.022 -0.127 1.00 0.00 O ATOM 377 OD2 ASP A 110 -4.824 1.041 0.536 1.00 0.00 O ATOM 0 H ASP A 110 -2.307 1.059 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 110 -5.070 1.504 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.926 1.260 -1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.028 3.009 -1.074 1.00 0.00 H new ATOM 382 N ILE A 111 -3.311 4.031 -3.775 1.00 0.00 N ATOM 383 CA ILE A 111 -3.400 5.379 -4.322 1.00 0.00 C ATOM 384 C ILE A 111 -4.390 5.439 -5.479 1.00 0.00 C ATOM 385 O ILE A 111 -4.969 6.489 -5.760 1.00 0.00 O ATOM 386 CB ILE A 111 -2.027 5.879 -4.810 1.00 0.00 C ATOM 387 CG1 ILE A 111 -2.140 7.310 -5.340 1.00 0.00 C ATOM 388 CG2 ILE A 111 -1.476 4.953 -5.883 1.00 0.00 C ATOM 389 CD1 ILE A 111 -0.871 8.117 -5.180 1.00 0.00 C ATOM 0 H ILE A 111 -2.400 3.588 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.748 6.025 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.336 5.877 -3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.409 7.277 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.952 7.818 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.506 5.320 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.363 3.949 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.164 4.925 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.025 9.120 -5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.611 8.181 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.060 7.632 -5.724 1.00 0.00 H new ATOM 401 N ASP A 112 -4.583 4.306 -6.145 1.00 0.00 N ATOM 402 CA ASP A 112 -5.507 4.228 -7.270 1.00 0.00 C ATOM 403 C ASP A 112 -6.940 4.485 -6.816 1.00 0.00 C ATOM 404 O ASP A 112 -7.767 4.980 -7.582 1.00 0.00 O ATOM 405 CB ASP A 112 -5.410 2.858 -7.944 1.00 0.00 C ATOM 406 CG ASP A 112 -5.774 2.909 -9.415 1.00 0.00 C ATOM 407 OD1 ASP A 112 -5.396 3.893 -10.085 1.00 0.00 O ATOM 408 OD2 ASP A 112 -6.437 1.966 -9.896 1.00 0.00 O ATOM 0 H ASP A 112 -4.112 3.429 -5.925 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.230 4.998 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.395 2.475 -7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.071 2.158 -7.433 1.00 0.00 H new ATOM 413 N PHE A 113 -7.229 4.144 -5.564 1.00 0.00 N ATOM 414 CA PHE A 113 -8.563 4.335 -5.007 1.00 0.00 C ATOM 415 C PHE A 113 -8.770 5.785 -4.578 1.00 0.00 C ATOM 416 O PHE A 113 -9.794 6.395 -4.885 1.00 0.00 O ATOM 417 CB PHE A 113 -8.779 3.402 -3.814 1.00 0.00 C ATOM 418 CG PHE A 113 -10.217 3.292 -3.393 1.00 0.00 C ATOM 419 CD1 PHE A 113 -11.206 3.015 -4.322 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.578 3.465 -2.066 1.00 0.00 C ATOM 421 CE1 PHE A 113 -12.528 2.913 -3.936 1.00 0.00 C ATOM 422 CE2 PHE A 113 -11.901 3.364 -1.675 1.00 0.00 C ATOM 423 CZ PHE A 113 -12.877 3.087 -2.611 1.00 0.00 C ATOM 0 H PHE A 113 -6.557 3.734 -4.916 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.291 4.096 -5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.406 2.410 -4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.188 3.760 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.940 2.877 -5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.818 3.681 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -13.290 2.697 -4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -12.170 3.502 -0.638 1.00 0.00 H new ATOM 0 HZ PHE A 113 -13.911 3.007 -2.308 1.00 0.00 H new ATOM 433 N LYS A 114 -7.791 6.330 -3.865 1.00 0.00 N ATOM 434 CA LYS A 114 -7.863 7.707 -3.392 1.00 0.00 C ATOM 435 C LYS A 114 -7.886 8.684 -4.564 1.00 0.00 C ATOM 436 O LYS A 114 -8.591 9.693 -4.530 1.00 0.00 O ATOM 437 CB LYS A 114 -6.675 8.018 -2.479 1.00 0.00 C ATOM 438 CG LYS A 114 -6.984 7.852 -1.001 1.00 0.00 C ATOM 439 CD LYS A 114 -5.815 8.287 -0.135 1.00 0.00 C ATOM 440 CE LYS A 114 -5.225 7.116 0.636 1.00 0.00 C ATOM 441 NZ LYS A 114 -4.382 6.248 -0.232 1.00 0.00 N ATOM 0 H LYS A 114 -6.937 5.838 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.788 7.822 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.844 7.365 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.346 9.041 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.866 8.439 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.224 6.809 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.045 8.736 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.145 9.055 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.625 7.492 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.031 6.523 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.701 5.261 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.467 6.559 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.389 6.316 0.069 1.00 0.00 H new ATOM 455 N ARG A 115 -7.112 8.376 -5.600 1.00 0.00 N ATOM 456 CA ARG A 115 -7.044 9.227 -6.782 1.00 0.00 C ATOM 457 C ARG A 115 -8.412 9.341 -7.449 1.00 0.00 C ATOM 458 O ARG A 115 -8.719 10.346 -8.087 1.00 0.00 O ATOM 459 CB ARG A 115 -6.024 8.672 -7.778 1.00 0.00 C ATOM 460 CG ARG A 115 -4.681 9.382 -7.733 1.00 0.00 C ATOM 461 CD ARG A 115 -4.806 10.837 -8.160 1.00 0.00 C ATOM 462 NE ARG A 115 -4.549 11.756 -7.054 1.00 0.00 N ATOM 463 CZ ARG A 115 -3.343 11.967 -6.539 1.00 0.00 C ATOM 464 NH1 ARG A 115 -2.289 11.328 -7.027 1.00 0.00 N ATOM 465 NH2 ARG A 115 -3.191 12.819 -5.533 1.00 0.00 N ATOM 0 H ARG A 115 -6.524 7.544 -5.645 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.729 10.221 -6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -5.872 7.612 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.433 8.750 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.275 9.332 -6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.975 8.869 -8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.104 11.039 -8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.807 11.015 -8.554 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.339 12.263 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.403 10.672 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.364 11.492 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.000 13.312 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.265 12.981 -5.137 1.00 0.00 H new ATOM 479 N ALA A 116 -9.227 8.303 -7.295 1.00 0.00 N ATOM 480 CA ALA A 116 -10.561 8.287 -7.881 1.00 0.00 C ATOM 481 C ALA A 116 -11.505 9.212 -7.121 1.00 0.00 C ATOM 482 O ALA A 116 -12.466 9.732 -7.686 1.00 0.00 O ATOM 483 CB ALA A 116 -11.112 6.868 -7.901 1.00 0.00 C ATOM 0 H ALA A 116 -8.987 7.462 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.485 8.650 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.109 6.871 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -10.455 6.231 -8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -11.167 6.484 -6.882 1.00 0.00 H new ATOM 489 N GLU A 117 -11.225 9.412 -5.837 1.00 0.00 N ATOM 490 CA GLU A 117 -12.052 10.274 -5.000 1.00 0.00 C ATOM 491 C GLU A 117 -11.641 11.736 -5.153 1.00 0.00 C ATOM 492 O GLU A 117 -12.488 12.629 -5.191 1.00 0.00 O ATOM 493 CB GLU A 117 -11.943 9.853 -3.533 1.00 0.00 C ATOM 494 CG GLU A 117 -13.217 10.087 -2.738 1.00 0.00 C ATOM 495 CD GLU A 117 -12.973 10.124 -1.242 1.00 0.00 C ATOM 496 OE1 GLU A 117 -11.794 10.176 -0.835 1.00 0.00 O ATOM 497 OE2 GLU A 117 -13.961 10.100 -0.479 1.00 0.00 O ATOM 0 H GLU A 117 -10.432 8.989 -5.354 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.087 10.169 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.684 8.795 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.126 10.403 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.669 11.028 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.933 9.298 -2.966 1.00 0.00 H new ATOM 504 N LEU A 118 -10.337 11.972 -5.239 1.00 0.00 N ATOM 505 CA LEU A 118 -9.813 13.325 -5.387 1.00 0.00 C ATOM 506 C LEU A 118 -10.433 14.021 -6.593 1.00 0.00 C ATOM 507 O LEU A 118 -10.803 15.192 -6.525 1.00 0.00 O ATOM 508 CB LEU A 118 -8.290 13.290 -5.531 1.00 0.00 C ATOM 509 CG LEU A 118 -7.532 14.474 -4.930 1.00 0.00 C ATOM 510 CD1 LEU A 118 -6.871 14.075 -3.620 1.00 0.00 C ATOM 511 CD2 LEU A 118 -6.497 14.999 -5.914 1.00 0.00 C ATOM 0 H LEU A 118 -9.623 11.244 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.075 13.889 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.922 12.375 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.047 13.229 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.246 15.272 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.336 14.930 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.633 13.748 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.169 13.261 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -5.967 15.841 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.786 14.207 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.995 15.325 -6.827 1.00 0.00 H new ATOM 523 N ALA A 119 -10.545 13.290 -7.697 1.00 0.00 N ATOM 524 CA ALA A 119 -11.126 13.835 -8.919 1.00 0.00 C ATOM 525 C ALA A 119 -12.531 14.371 -8.667 1.00 0.00 C ATOM 526 O ALA A 119 -12.937 15.376 -9.251 1.00 0.00 O ATOM 527 CB ALA A 119 -11.149 12.776 -10.010 1.00 0.00 C ATOM 0 H ALA A 119 -10.241 12.319 -7.771 1.00 0.00 H new ATOM 0 HA ALA A 119 -10.503 14.666 -9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -11.585 13.197 -10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -10.131 12.445 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.747 11.927 -9.680 1.00 0.00 H new ATOM 533 N LEU A 120 -13.270 13.692 -7.796 1.00 0.00 N ATOM 534 CA LEU A 120 -14.632 14.100 -7.468 1.00 0.00 C ATOM 535 C LEU A 120 -14.664 14.895 -6.167 1.00 0.00 C ATOM 536 O LEU A 120 -15.514 14.664 -5.306 1.00 0.00 O ATOM 537 CB LEU A 120 -15.538 12.873 -7.352 1.00 0.00 C ATOM 538 CG LEU A 120 -17.042 13.149 -7.322 1.00 0.00 C ATOM 539 CD1 LEU A 120 -17.592 13.259 -8.736 1.00 0.00 C ATOM 540 CD2 LEU A 120 -17.770 12.060 -6.548 1.00 0.00 C ATOM 0 H LEU A 120 -12.950 12.858 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.997 14.740 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -15.327 12.210 -8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -15.270 12.333 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 120 -17.207 14.099 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -18.663 13.455 -8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -17.093 14.075 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -17.414 12.325 -9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -18.839 12.274 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -17.597 11.096 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -17.396 12.029 -5.525 1.00 0.00 H new ATOM 552 N LYS A 121 -13.734 15.833 -6.030 1.00 0.00 N ATOM 553 CA LYS A 121 -13.656 16.666 -4.836 1.00 0.00 C ATOM 554 C LYS A 121 -12.916 17.967 -5.127 1.00 0.00 C ATOM 555 O LYS A 121 -11.926 17.979 -5.859 1.00 0.00 O ATOM 556 CB LYS A 121 -12.953 15.909 -3.706 1.00 0.00 C ATOM 557 CG LYS A 121 -13.874 15.543 -2.555 1.00 0.00 C ATOM 558 CD LYS A 121 -13.158 14.696 -1.517 1.00 0.00 C ATOM 559 CE LYS A 121 -14.139 13.878 -0.691 1.00 0.00 C ATOM 560 NZ LYS A 121 -14.843 14.713 0.322 1.00 0.00 N ATOM 0 H LYS A 121 -13.022 16.036 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 121 -14.672 16.908 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -12.511 14.998 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -12.134 16.519 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -14.252 16.452 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -14.738 14.999 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -12.454 14.028 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -12.576 15.341 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -14.871 13.414 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -13.606 13.071 -0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -15.502 14.119 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -14.146 15.136 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.373 15.468 -0.158 1.00 0.00 H new ATOM 574 N ARG A 122 -13.401 19.061 -4.548 1.00 0.00 N ATOM 575 CA ARG A 122 -12.785 20.368 -4.747 1.00 0.00 C ATOM 576 C ARG A 122 -12.482 21.034 -3.408 1.00 0.00 C ATOM 577 O ARG A 122 -12.205 22.231 -3.348 1.00 0.00 O ATOM 578 CB ARG A 122 -13.701 21.266 -5.579 1.00 0.00 C ATOM 579 CG ARG A 122 -13.071 21.742 -6.878 1.00 0.00 C ATOM 580 CD ARG A 122 -13.684 23.052 -7.348 1.00 0.00 C ATOM 581 NE ARG A 122 -13.780 23.121 -8.803 1.00 0.00 N ATOM 582 CZ ARG A 122 -14.681 22.451 -9.513 1.00 0.00 C ATOM 583 NH1 ARG A 122 -15.560 21.667 -8.904 1.00 0.00 N ATOM 584 NH2 ARG A 122 -14.705 22.566 -10.835 1.00 0.00 N ATOM 0 H ARG A 122 -14.218 19.068 -3.938 1.00 0.00 H new ATOM 0 HA ARG A 122 -11.847 20.222 -5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -14.618 20.723 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -13.984 22.134 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.998 21.871 -6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -13.202 20.981 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -14.677 23.164 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -13.082 23.885 -6.985 1.00 0.00 H new ATOM 0 HE ARG A 122 -13.119 23.716 -9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -15.545 21.577 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -16.251 21.154 -9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -14.031 23.169 -11.307 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -15.397 22.051 -11.379 1.00 0.00 H new ATOM 598 N ALA A 123 -12.537 20.249 -2.336 1.00 0.00 N ATOM 599 CA ALA A 123 -12.267 20.763 -1.000 1.00 0.00 C ATOM 600 C ALA A 123 -10.892 21.418 -0.931 1.00 0.00 C ATOM 601 O ALA A 123 -10.678 22.355 -0.162 1.00 0.00 O ATOM 602 CB ALA A 123 -12.372 19.644 0.026 1.00 0.00 C ATOM 0 H ALA A 123 -12.766 19.256 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 123 -13.014 21.523 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -12.168 20.042 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -13.377 19.222 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -11.646 18.865 -0.209 1.00 0.00 H new ATOM 608 N MET A 124 -9.962 20.919 -1.739 1.00 0.00 N ATOM 609 CA MET A 124 -8.607 21.457 -1.769 1.00 0.00 C ATOM 610 C MET A 124 -8.605 22.897 -2.273 1.00 0.00 C ATOM 611 O MET A 124 -7.755 23.697 -1.889 1.00 0.00 O ATOM 612 CB MET A 124 -7.712 20.592 -2.658 1.00 0.00 C ATOM 613 CG MET A 124 -7.008 19.473 -1.906 1.00 0.00 C ATOM 614 SD MET A 124 -5.598 18.808 -2.811 1.00 0.00 S ATOM 615 CE MET A 124 -6.428 17.879 -4.097 1.00 0.00 C ATOM 0 H MET A 124 -10.122 20.143 -2.381 1.00 0.00 H new ATOM 0 HA MET A 124 -8.216 21.446 -0.752 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.316 20.159 -3.456 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.964 21.226 -3.133 1.00 0.00 H new ATOM 0 HG2 MET A 124 -6.671 19.846 -0.939 1.00 0.00 H new ATOM 0 HG3 MET A 124 -7.719 18.671 -1.708 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.716 17.632 -4.885 1.00 0.00 H new ATOM 0 HE2 MET A 124 -6.837 16.960 -3.676 1.00 0.00 H new ATOM 0 HE3 MET A 124 -7.237 18.478 -4.514 1.00 0.00 H new ATOM 625 N ASN A 125 -9.563 23.218 -3.136 1.00 0.00 N ATOM 626 CA ASN A 125 -9.672 24.561 -3.694 1.00 0.00 C ATOM 627 C ASN A 125 -9.822 25.599 -2.586 1.00 0.00 C ATOM 628 O ASN A 125 -9.185 26.652 -2.618 1.00 0.00 O ATOM 629 CB ASN A 125 -10.861 24.644 -4.652 1.00 0.00 C ATOM 630 CG ASN A 125 -10.666 25.697 -5.725 1.00 0.00 C ATOM 631 OD1 ASN A 125 -10.220 25.396 -6.832 1.00 0.00 O ATOM 632 ND2 ASN A 125 -11.002 26.941 -5.401 1.00 0.00 N ATOM 0 H ASN A 125 -10.275 22.566 -3.464 1.00 0.00 H new ATOM 0 HA ASN A 125 -8.756 24.774 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -11.013 23.673 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -11.765 24.869 -4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -10.894 27.692 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -11.368 27.145 -4.471 1.00 0.00 H new ATOM 639 N ARG A 126 -10.667 25.294 -1.608 1.00 0.00 N ATOM 640 CA ARG A 126 -10.903 26.201 -0.491 1.00 0.00 C ATOM 641 C ARG A 126 -9.711 26.209 0.463 1.00 0.00 C ATOM 642 O ARG A 126 -9.431 27.215 1.115 1.00 0.00 O ATOM 643 CB ARG A 126 -12.171 25.796 0.264 1.00 0.00 C ATOM 644 CG ARG A 126 -12.961 26.977 0.804 1.00 0.00 C ATOM 645 CD ARG A 126 -13.581 27.792 -0.319 1.00 0.00 C ATOM 646 NE ARG A 126 -12.762 28.946 -0.677 1.00 0.00 N ATOM 647 CZ ARG A 126 -13.039 29.759 -1.690 1.00 0.00 C ATOM 648 NH1 ARG A 126 -14.110 29.546 -2.441 1.00 0.00 N ATOM 649 NH2 ARG A 126 -12.244 30.789 -1.952 1.00 0.00 N ATOM 0 H ARG A 126 -11.200 24.425 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 126 -11.033 27.206 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -12.810 25.216 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -11.897 25.143 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -13.745 26.618 1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -12.305 27.614 1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -13.715 27.158 -1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -14.572 28.131 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 126 -11.931 29.139 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -14.724 28.756 -2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -14.320 30.172 -3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -11.420 30.957 -1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -12.457 31.413 -2.730 1.00 0.00 H new ATOM 663 N LEU A 127 -9.014 25.081 0.538 1.00 0.00 N ATOM 664 CA LEU A 127 -7.852 24.957 1.412 1.00 0.00 C ATOM 665 C LEU A 127 -6.657 24.389 0.653 1.00 0.00 C ATOM 666 O LEU A 127 -5.550 24.920 0.731 1.00 0.00 O ATOM 667 CB LEU A 127 -8.182 24.064 2.609 1.00 0.00 C ATOM 668 CG LEU A 127 -7.636 24.524 3.961 1.00 0.00 C ATOM 669 CD1 LEU A 127 -8.501 23.993 5.094 1.00 0.00 C ATOM 670 CD2 LEU A 127 -6.193 24.074 4.134 1.00 0.00 C ATOM 0 H LEU A 127 -9.233 24.239 0.005 1.00 0.00 H new ATOM 0 HA LEU A 127 -7.591 25.953 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -9.266 23.981 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.799 23.064 2.407 1.00 0.00 H new ATOM 0 HG LEU A 127 -7.662 25.613 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.097 24.330 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.519 24.364 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.507 22.903 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.821 24.410 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.143 22.986 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.581 24.503 3.341 1.00 0.00 H new TER 682 LEU A 127