USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=2 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+ -151:sc= 0.0883 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 106 SER OG : rot -74:sc= 0.846 USER MOD Single : A 107 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.1!) USER MOD Single : A 108 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.074) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -20.260 -25.289 1.820 1.00 0.00 N ATOM 2 CA ILE A 88 -19.036 -26.081 1.820 1.00 0.00 C ATOM 3 C ILE A 88 -17.924 -25.375 2.590 1.00 0.00 C ATOM 4 O ILE A 88 -17.361 -24.386 2.120 1.00 0.00 O ATOM 5 CB ILE A 88 -18.550 -26.366 0.386 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.683 -26.966 -0.449 1.00 0.00 C ATOM 7 CG2 ILE A 88 -17.350 -27.298 0.409 1.00 0.00 C ATOM 8 CD1 ILE A 88 -20.362 -25.964 -1.356 1.00 0.00 C ATOM 0 HA ILE A 88 -19.272 -27.026 2.310 1.00 0.00 H new ATOM 0 HB ILE A 88 -18.245 -25.425 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -19.285 -27.780 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -20.426 -27.400 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -17.019 -27.490 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.540 -26.835 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -17.629 -28.239 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -21.154 -26.460 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -20.790 -25.161 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -19.632 -25.548 -2.050 1.00 0.00 H new ATOM 20 N ASP A 89 -17.614 -25.890 3.773 1.00 0.00 N ATOM 21 CA ASP A 89 -16.567 -25.312 4.608 1.00 0.00 C ATOM 22 C ASP A 89 -15.189 -25.562 4.003 1.00 0.00 C ATOM 23 O ASP A 89 -14.251 -24.798 4.232 1.00 0.00 O ATOM 24 CB ASP A 89 -16.632 -25.895 6.021 1.00 0.00 C ATOM 25 CG ASP A 89 -17.814 -25.369 6.811 1.00 0.00 C ATOM 26 OD1 ASP A 89 -18.419 -24.368 6.376 1.00 0.00 O ATOM 27 OD2 ASP A 89 -18.133 -25.958 7.865 1.00 0.00 O ATOM 0 H ASP A 89 -18.072 -26.707 4.177 1.00 0.00 H new ATOM 0 HA ASP A 89 -16.731 -24.236 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.694 -26.982 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -15.710 -25.658 6.551 1.00 0.00 H new ATOM 32 N VAL A 90 -15.074 -26.638 3.231 1.00 0.00 N ATOM 33 CA VAL A 90 -13.810 -26.990 2.594 1.00 0.00 C ATOM 34 C VAL A 90 -13.376 -25.913 1.605 1.00 0.00 C ATOM 35 O VAL A 90 -12.193 -25.586 1.507 1.00 0.00 O ATOM 36 CB VAL A 90 -13.910 -28.339 1.857 1.00 0.00 C ATOM 37 CG1 VAL A 90 -12.547 -28.760 1.329 1.00 0.00 C ATOM 38 CG2 VAL A 90 -14.489 -29.405 2.775 1.00 0.00 C ATOM 0 H VAL A 90 -15.840 -27.281 3.032 1.00 0.00 H new ATOM 0 HA VAL A 90 -13.067 -27.072 3.387 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.582 -28.221 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.636 -29.715 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.176 -28.005 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.850 -28.862 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -14.553 -30.352 2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.845 -29.524 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -15.485 -29.104 3.099 1.00 0.00 H new ATOM 48 N LEU A 91 -14.341 -25.367 0.874 1.00 0.00 N ATOM 49 CA LEU A 91 -14.059 -24.326 -0.109 1.00 0.00 C ATOM 50 C LEU A 91 -13.806 -22.986 0.575 1.00 0.00 C ATOM 51 O LEU A 91 -13.091 -22.134 0.048 1.00 0.00 O ATOM 52 CB LEU A 91 -15.222 -24.198 -1.093 1.00 0.00 C ATOM 53 CG LEU A 91 -14.910 -23.491 -2.413 1.00 0.00 C ATOM 54 CD1 LEU A 91 -13.988 -24.345 -3.271 1.00 0.00 C ATOM 55 CD2 LEU A 91 -16.195 -23.171 -3.163 1.00 0.00 C ATOM 0 H LEU A 91 -15.325 -25.627 0.943 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.159 -24.610 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.593 -25.198 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.032 -23.661 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.400 -22.554 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -13.777 -23.826 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -13.055 -24.523 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.471 -25.298 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.954 -22.668 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -16.732 -24.095 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -16.820 -22.520 -2.552 1.00 0.00 H new ATOM 67 N ARG A 92 -14.396 -22.808 1.752 1.00 0.00 N ATOM 68 CA ARG A 92 -14.235 -21.572 2.508 1.00 0.00 C ATOM 69 C ARG A 92 -12.761 -21.296 2.790 1.00 0.00 C ATOM 70 O ARG A 92 -12.338 -20.142 2.857 1.00 0.00 O ATOM 71 CB ARG A 92 -15.010 -21.650 3.825 1.00 0.00 C ATOM 72 CG ARG A 92 -16.287 -20.823 3.830 1.00 0.00 C ATOM 73 CD ARG A 92 -15.991 -19.341 3.668 1.00 0.00 C ATOM 74 NE ARG A 92 -16.672 -18.534 4.676 1.00 0.00 N ATOM 75 CZ ARG A 92 -17.952 -18.187 4.598 1.00 0.00 C ATOM 76 NH1 ARG A 92 -18.685 -18.576 3.563 1.00 0.00 N ATOM 77 NH2 ARG A 92 -18.502 -17.451 5.555 1.00 0.00 N ATOM 0 H ARG A 92 -14.990 -23.504 2.203 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.633 -20.754 1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.261 -22.691 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.365 -21.313 4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.940 -21.155 3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -16.825 -20.988 4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.916 -19.176 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.300 -19.016 2.674 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.136 -18.219 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -18.266 -19.142 2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -19.668 -18.309 3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.942 -17.150 6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -19.485 -17.186 5.493 1.00 0.00 H new ATOM 91 N ALA A 93 -11.985 -22.362 2.954 1.00 0.00 N ATOM 92 CA ALA A 93 -10.559 -22.233 3.226 1.00 0.00 C ATOM 93 C ALA A 93 -9.827 -21.614 2.040 1.00 0.00 C ATOM 94 O ALA A 93 -9.004 -20.714 2.206 1.00 0.00 O ATOM 95 CB ALA A 93 -9.963 -23.591 3.566 1.00 0.00 C ATOM 0 H ALA A 93 -12.320 -23.324 2.903 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.436 -21.569 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.897 -23.481 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.459 -23.995 4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.105 -24.271 2.726 1.00 0.00 H new ATOM 101 N LYS A 94 -10.131 -22.102 0.842 1.00 0.00 N ATOM 102 CA LYS A 94 -9.503 -21.597 -0.372 1.00 0.00 C ATOM 103 C LYS A 94 -9.808 -20.116 -0.567 1.00 0.00 C ATOM 104 O LYS A 94 -8.963 -19.355 -1.037 1.00 0.00 O ATOM 105 CB LYS A 94 -9.984 -22.392 -1.588 1.00 0.00 C ATOM 106 CG LYS A 94 -9.098 -23.575 -1.932 1.00 0.00 C ATOM 107 CD LYS A 94 -9.816 -24.895 -1.701 1.00 0.00 C ATOM 108 CE LYS A 94 -8.894 -25.928 -1.072 1.00 0.00 C ATOM 109 NZ LYS A 94 -9.593 -26.735 -0.034 1.00 0.00 N ATOM 0 H LYS A 94 -10.809 -22.848 0.686 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.424 -21.717 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.996 -22.750 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.036 -21.726 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.787 -23.507 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.193 -23.541 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.678 -24.733 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.196 -25.275 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.507 -26.590 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.036 -25.425 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.907 -27.049 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.327 -26.155 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.034 -27.566 -0.478 1.00 0.00 H new ATOM 123 N ALA A 95 -11.020 -19.712 -0.200 1.00 0.00 N ATOM 124 CA ALA A 95 -11.435 -18.321 -0.331 1.00 0.00 C ATOM 125 C ALA A 95 -10.591 -17.412 0.556 1.00 0.00 C ATOM 126 O ALA A 95 -10.327 -16.261 0.207 1.00 0.00 O ATOM 127 CB ALA A 95 -12.910 -18.176 0.012 1.00 0.00 C ATOM 0 H ALA A 95 -11.732 -20.329 0.191 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.283 -18.017 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.206 -17.132 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.503 -18.790 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.079 -18.502 1.038 1.00 0.00 H new ATOM 133 N ALA A 96 -10.172 -17.934 1.703 1.00 0.00 N ATOM 134 CA ALA A 96 -9.358 -17.169 2.639 1.00 0.00 C ATOM 135 C ALA A 96 -7.962 -16.921 2.077 1.00 0.00 C ATOM 136 O ALA A 96 -7.358 -15.878 2.325 1.00 0.00 O ATOM 137 CB ALA A 96 -9.270 -17.892 3.975 1.00 0.00 C ATOM 0 H ALA A 96 -10.383 -18.885 2.007 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.837 -16.202 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.659 -17.309 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.271 -18.013 4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.817 -18.873 3.829 1.00 0.00 H new ATOM 143 N LYS A 97 -7.455 -17.887 1.318 1.00 0.00 N ATOM 144 CA LYS A 97 -6.131 -17.773 0.719 1.00 0.00 C ATOM 145 C LYS A 97 -6.124 -16.731 -0.394 1.00 0.00 C ATOM 146 O LYS A 97 -5.178 -15.954 -0.522 1.00 0.00 O ATOM 147 CB LYS A 97 -5.681 -19.128 0.166 1.00 0.00 C ATOM 148 CG LYS A 97 -5.070 -20.040 1.214 1.00 0.00 C ATOM 149 CD LYS A 97 -3.552 -19.995 1.176 1.00 0.00 C ATOM 150 CE LYS A 97 -3.001 -20.767 -0.014 1.00 0.00 C ATOM 151 NZ LYS A 97 -1.838 -20.074 -0.634 1.00 0.00 N ATOM 0 H LYS A 97 -7.941 -18.758 1.103 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.435 -17.454 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.537 -19.629 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.953 -18.963 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.419 -19.744 2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.409 -21.063 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.219 -18.958 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.151 -20.413 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.700 -21.764 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.786 -20.896 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.492 -20.631 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.131 -19.132 -0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.078 -19.974 0.069 1.00 0.00 H new ATOM 165 N GLU A 98 -7.185 -16.719 -1.195 1.00 0.00 N ATOM 166 CA GLU A 98 -7.299 -15.770 -2.296 1.00 0.00 C ATOM 167 C GLU A 98 -7.483 -14.349 -1.773 1.00 0.00 C ATOM 168 O GLU A 98 -6.750 -13.436 -2.154 1.00 0.00 O ATOM 169 CB GLU A 98 -8.473 -16.147 -3.203 1.00 0.00 C ATOM 170 CG GLU A 98 -8.142 -16.085 -4.685 1.00 0.00 C ATOM 171 CD GLU A 98 -9.284 -16.566 -5.559 1.00 0.00 C ATOM 172 OE1 GLU A 98 -9.485 -17.795 -5.650 1.00 0.00 O ATOM 173 OE2 GLU A 98 -9.977 -15.712 -6.151 1.00 0.00 O ATOM 0 H GLU A 98 -7.977 -17.355 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.375 -15.809 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.803 -17.156 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.309 -15.478 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.890 -15.059 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.258 -16.692 -4.882 1.00 0.00 H new ATOM 180 N ARG A 99 -8.466 -14.169 -0.897 1.00 0.00 N ATOM 181 CA ARG A 99 -8.748 -12.860 -0.322 1.00 0.00 C ATOM 182 C ARG A 99 -7.492 -12.257 0.300 1.00 0.00 C ATOM 183 O ARG A 99 -7.286 -11.045 0.258 1.00 0.00 O ATOM 184 CB ARG A 99 -9.850 -12.968 0.732 1.00 0.00 C ATOM 185 CG ARG A 99 -10.592 -11.664 0.975 1.00 0.00 C ATOM 186 CD ARG A 99 -12.085 -11.818 0.729 1.00 0.00 C ATOM 187 NE ARG A 99 -12.716 -12.683 1.723 1.00 0.00 N ATOM 188 CZ ARG A 99 -13.928 -13.207 1.576 1.00 0.00 C ATOM 189 NH1 ARG A 99 -14.635 -12.956 0.482 1.00 0.00 N ATOM 190 NH2 ARG A 99 -14.435 -13.985 2.524 1.00 0.00 N ATOM 0 H ARG A 99 -9.081 -14.914 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.086 -12.205 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.565 -13.730 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.411 -13.307 1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.423 -11.334 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.192 -10.889 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.559 -10.837 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.248 -12.231 -0.267 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.198 -12.896 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.248 -12.359 -0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.565 -13.360 0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.894 -14.181 3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.366 -14.387 2.410 1.00 0.00 H new ATOM 204 N ALA A 100 -6.654 -13.114 0.877 1.00 0.00 N ATOM 205 CA ALA A 100 -5.418 -12.666 1.506 1.00 0.00 C ATOM 206 C ALA A 100 -4.490 -12.012 0.489 1.00 0.00 C ATOM 207 O ALA A 100 -4.000 -10.904 0.706 1.00 0.00 O ATOM 208 CB ALA A 100 -4.719 -13.835 2.185 1.00 0.00 C ATOM 0 H ALA A 100 -6.809 -14.121 0.921 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.672 -11.920 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.797 -13.487 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.374 -14.257 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.485 -14.599 1.444 1.00 0.00 H new ATOM 214 N GLU A 101 -4.252 -12.704 -0.621 1.00 0.00 N ATOM 215 CA GLU A 101 -3.381 -12.189 -1.670 1.00 0.00 C ATOM 216 C GLU A 101 -3.977 -10.936 -2.306 1.00 0.00 C ATOM 217 O GLU A 101 -3.251 -10.064 -2.783 1.00 0.00 O ATOM 218 CB GLU A 101 -3.149 -13.256 -2.742 1.00 0.00 C ATOM 219 CG GLU A 101 -1.692 -13.658 -2.895 1.00 0.00 C ATOM 220 CD GLU A 101 -1.406 -14.320 -4.229 1.00 0.00 C ATOM 221 OE1 GLU A 101 -1.764 -15.506 -4.391 1.00 0.00 O ATOM 222 OE2 GLU A 101 -0.825 -13.654 -5.110 1.00 0.00 O ATOM 0 H GLU A 101 -4.650 -13.622 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.425 -11.927 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.737 -14.140 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.517 -12.884 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.062 -12.775 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.421 -14.340 -2.089 1.00 0.00 H new ATOM 229 N ARG A 102 -5.304 -10.855 -2.309 1.00 0.00 N ATOM 230 CA ARG A 102 -5.998 -9.711 -2.887 1.00 0.00 C ATOM 231 C ARG A 102 -5.749 -8.451 -2.063 1.00 0.00 C ATOM 232 O ARG A 102 -5.746 -7.340 -2.595 1.00 0.00 O ATOM 233 CB ARG A 102 -7.500 -9.989 -2.973 1.00 0.00 C ATOM 234 CG ARG A 102 -8.256 -8.990 -3.833 1.00 0.00 C ATOM 235 CD ARG A 102 -9.606 -8.641 -3.226 1.00 0.00 C ATOM 236 NE ARG A 102 -10.339 -7.676 -4.040 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.074 -6.374 -4.054 1.00 0.00 C ATOM 238 NH1 ARG A 102 -9.097 -5.885 -3.303 1.00 0.00 N ATOM 239 NH2 ARG A 102 -10.786 -5.559 -4.822 1.00 0.00 N ATOM 0 H ARG A 102 -5.919 -11.568 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.607 -9.550 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.653 -10.991 -3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.920 -9.981 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.662 -8.083 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.401 -9.404 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.200 -9.548 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.459 -8.234 -2.226 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.096 -8.020 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.547 -6.509 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.896 -4.885 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.537 -5.932 -5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.582 -4.560 -4.832 1.00 0.00 H new ATOM 253 N ARG A 103 -5.542 -8.631 -0.763 1.00 0.00 N ATOM 254 CA ARG A 103 -5.294 -7.510 0.134 1.00 0.00 C ATOM 255 C ARG A 103 -3.798 -7.243 0.271 1.00 0.00 C ATOM 256 O ARG A 103 -3.376 -6.108 0.501 1.00 0.00 O ATOM 257 CB ARG A 103 -5.902 -7.785 1.510 1.00 0.00 C ATOM 258 CG ARG A 103 -6.502 -6.554 2.169 1.00 0.00 C ATOM 259 CD ARG A 103 -5.858 -6.274 3.518 1.00 0.00 C ATOM 260 NE ARG A 103 -6.714 -5.457 4.374 1.00 0.00 N ATOM 261 CZ ARG A 103 -6.269 -4.780 5.427 1.00 0.00 C ATOM 262 NH1 ARG A 103 -4.984 -4.824 5.752 1.00 0.00 N ATOM 263 NH2 ARG A 103 -7.110 -4.058 6.157 1.00 0.00 N ATOM 0 H ARG A 103 -5.541 -9.544 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.766 -6.625 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.676 -8.546 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.132 -8.197 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.372 -5.691 1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.575 -6.696 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.640 -7.217 4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.906 -5.766 3.367 1.00 0.00 H new ATOM 0 HE ARG A 103 -7.708 -5.403 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.335 -5.378 5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -4.644 -4.303 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.099 -4.023 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.767 -3.539 6.965 1.00 0.00 H new ATOM 277 N LEU A 104 -2.999 -8.296 0.130 1.00 0.00 N ATOM 278 CA LEU A 104 -1.550 -8.176 0.239 1.00 0.00 C ATOM 279 C LEU A 104 -0.986 -7.329 -0.896 1.00 0.00 C ATOM 280 O LEU A 104 0.011 -6.628 -0.724 1.00 0.00 O ATOM 281 CB LEU A 104 -0.902 -9.563 0.226 1.00 0.00 C ATOM 282 CG LEU A 104 -0.093 -9.937 1.468 1.00 0.00 C ATOM 283 CD1 LEU A 104 0.954 -8.874 1.764 1.00 0.00 C ATOM 284 CD2 LEU A 104 -1.012 -10.131 2.665 1.00 0.00 C ATOM 0 H LEU A 104 -3.331 -9.242 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.321 -7.682 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.687 -10.307 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.247 -9.628 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 104 0.420 -10.879 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.520 -9.158 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.632 -8.784 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.462 -7.917 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.419 -10.397 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.554 -9.206 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.723 -10.930 2.452 1.00 0.00 H new ATOM 296 N GLN A 105 -1.633 -7.396 -2.056 1.00 0.00 N ATOM 297 CA GLN A 105 -1.197 -6.632 -3.219 1.00 0.00 C ATOM 298 C GLN A 105 -1.632 -5.176 -3.108 1.00 0.00 C ATOM 299 O GLN A 105 -0.942 -4.273 -3.582 1.00 0.00 O ATOM 300 CB GLN A 105 -1.759 -7.250 -4.501 1.00 0.00 C ATOM 301 CG GLN A 105 -3.267 -7.113 -4.631 1.00 0.00 C ATOM 302 CD GLN A 105 -3.796 -7.694 -5.928 1.00 0.00 C ATOM 303 OE1 GLN A 105 -4.226 -8.847 -5.975 1.00 0.00 O ATOM 304 NE2 GLN A 105 -3.768 -6.897 -6.989 1.00 0.00 N ATOM 0 H GLN A 105 -2.460 -7.971 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.108 -6.664 -3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.284 -6.778 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.494 -8.307 -4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.747 -7.614 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.539 -6.059 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.403 -5.948 -6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.112 -7.233 -7.889 1.00 0.00 H new ATOM 313 N SER A 106 -2.783 -4.953 -2.481 1.00 0.00 N ATOM 314 CA SER A 106 -3.313 -3.605 -2.312 1.00 0.00 C ATOM 315 C SER A 106 -2.323 -2.722 -1.560 1.00 0.00 C ATOM 316 O SER A 106 -2.230 -1.521 -1.814 1.00 0.00 O ATOM 317 CB SER A 106 -4.646 -3.649 -1.562 1.00 0.00 C ATOM 318 OG SER A 106 -4.448 -3.539 -0.163 1.00 0.00 O ATOM 0 H SER A 106 -3.366 -5.688 -2.082 1.00 0.00 H new ATOM 0 HA SER A 106 -3.474 -3.178 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.288 -2.838 -1.907 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.163 -4.582 -1.787 1.00 0.00 H new ATOM 0 HG SER A 106 -4.093 -4.384 0.184 1.00 0.00 H new ATOM 324 N GLN A 107 -1.585 -3.326 -0.634 1.00 0.00 N ATOM 325 CA GLN A 107 -0.601 -2.594 0.156 1.00 0.00 C ATOM 326 C GLN A 107 0.731 -2.506 -0.581 1.00 0.00 C ATOM 327 O GLN A 107 1.496 -1.562 -0.385 1.00 0.00 O ATOM 328 CB GLN A 107 -0.403 -3.269 1.514 1.00 0.00 C ATOM 329 CG GLN A 107 0.277 -2.379 2.542 1.00 0.00 C ATOM 330 CD GLN A 107 1.783 -2.546 2.553 1.00 0.00 C ATOM 331 OE1 GLN A 107 2.299 -3.650 2.378 1.00 0.00 O ATOM 332 NE2 GLN A 107 2.500 -1.447 2.760 1.00 0.00 N ATOM 0 H GLN A 107 -1.650 -4.320 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.976 -1.583 0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.373 -3.581 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.191 -4.173 1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.032 -1.337 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.117 -2.607 3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.032 -0.552 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.519 -1.498 2.778 1.00 0.00 H new ATOM 341 N GLN A 108 1.001 -3.494 -1.427 1.00 0.00 N ATOM 342 CA GLN A 108 2.241 -3.527 -2.192 1.00 0.00 C ATOM 343 C GLN A 108 2.340 -2.322 -3.122 1.00 0.00 C ATOM 344 O GLN A 108 3.436 -1.886 -3.475 1.00 0.00 O ATOM 345 CB GLN A 108 2.331 -4.821 -3.003 1.00 0.00 C ATOM 346 CG GLN A 108 3.690 -5.043 -3.648 1.00 0.00 C ATOM 347 CD GLN A 108 4.274 -6.404 -3.325 1.00 0.00 C ATOM 348 OE1 GLN A 108 4.673 -7.149 -4.220 1.00 0.00 O ATOM 349 NE2 GLN A 108 4.328 -6.735 -2.041 1.00 0.00 N ATOM 0 H GLN A 108 0.378 -4.282 -1.600 1.00 0.00 H new ATOM 0 HA GLN A 108 3.073 -3.489 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 108 2.106 -5.665 -2.351 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.567 -4.806 -3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.596 -4.939 -4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.378 -4.267 -3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.986 -6.086 -1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 108 4.712 -7.638 -1.763 1.00 0.00 H new ATOM 358 N ASP A 109 1.189 -1.789 -3.515 1.00 0.00 N ATOM 359 CA ASP A 109 1.146 -0.633 -4.403 1.00 0.00 C ATOM 360 C ASP A 109 1.687 0.611 -3.704 1.00 0.00 C ATOM 361 O ASP A 109 2.416 1.403 -4.302 1.00 0.00 O ATOM 362 CB ASP A 109 -0.286 -0.383 -4.880 1.00 0.00 C ATOM 363 CG ASP A 109 -0.428 0.933 -5.621 1.00 0.00 C ATOM 364 OD1 ASP A 109 0.574 1.396 -6.205 1.00 0.00 O ATOM 365 OD2 ASP A 109 -1.541 1.498 -5.617 1.00 0.00 O ATOM 0 H ASP A 109 0.273 -2.139 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 109 1.777 -0.845 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -0.596 -1.199 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -0.958 -0.388 -4.022 1.00 0.00 H new ATOM 370 N ASP A 110 1.326 0.775 -2.437 1.00 0.00 N ATOM 371 CA ASP A 110 1.775 1.922 -1.656 1.00 0.00 C ATOM 372 C ASP A 110 3.299 1.964 -1.580 1.00 0.00 C ATOM 373 O ASP A 110 3.905 3.031 -1.682 1.00 0.00 O ATOM 374 CB ASP A 110 1.183 1.870 -0.247 1.00 0.00 C ATOM 375 CG ASP A 110 1.159 3.231 0.421 1.00 0.00 C ATOM 376 OD1 ASP A 110 1.897 4.129 -0.035 1.00 0.00 O ATOM 377 OD2 ASP A 110 0.401 3.398 1.400 1.00 0.00 O ATOM 0 H ASP A 110 0.723 0.128 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 110 1.428 2.828 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.168 1.475 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 110 1.765 1.179 0.363 1.00 0.00 H new ATOM 382 N ILE A 111 3.910 0.798 -1.399 1.00 0.00 N ATOM 383 CA ILE A 111 5.361 0.703 -1.310 1.00 0.00 C ATOM 384 C ILE A 111 5.956 0.142 -2.597 1.00 0.00 C ATOM 385 O ILE A 111 6.862 -0.691 -2.563 1.00 0.00 O ATOM 386 CB ILE A 111 5.795 -0.185 -0.128 1.00 0.00 C ATOM 387 CG1 ILE A 111 5.102 -1.546 -0.203 1.00 0.00 C ATOM 388 CG2 ILE A 111 5.483 0.502 1.193 1.00 0.00 C ATOM 389 CD1 ILE A 111 5.649 -2.558 0.780 1.00 0.00 C ATOM 0 H ILE A 111 3.422 -0.094 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 111 5.734 1.715 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 111 6.872 -0.343 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 111 4.036 -1.412 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 111 5.204 -1.941 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 111 5.795 -0.138 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 111 6.019 1.450 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 111 4.411 0.687 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 111 5.111 -3.499 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 111 6.709 -2.721 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 111 5.522 -2.184 1.796 1.00 0.00 H new ATOM 401 N ASP A 112 5.441 0.605 -3.731 1.00 0.00 N ATOM 402 CA ASP A 112 5.923 0.152 -5.030 1.00 0.00 C ATOM 403 C ASP A 112 7.334 0.668 -5.297 1.00 0.00 C ATOM 404 O ASP A 112 8.120 0.026 -5.994 1.00 0.00 O ATOM 405 CB ASP A 112 4.978 0.618 -6.139 1.00 0.00 C ATOM 406 CG ASP A 112 5.208 2.065 -6.526 1.00 0.00 C ATOM 407 OD1 ASP A 112 4.636 2.955 -5.863 1.00 0.00 O ATOM 408 OD2 ASP A 112 5.962 2.308 -7.492 1.00 0.00 O ATOM 0 H ASP A 112 4.690 1.294 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 112 5.950 -0.938 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.112 -0.015 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.947 0.493 -5.810 1.00 0.00 H new ATOM 413 N PHE A 113 7.647 1.833 -4.739 1.00 0.00 N ATOM 414 CA PHE A 113 8.962 2.438 -4.919 1.00 0.00 C ATOM 415 C PHE A 113 10.068 1.454 -4.545 1.00 0.00 C ATOM 416 O PHE A 113 10.920 1.119 -5.367 1.00 0.00 O ATOM 417 CB PHE A 113 9.084 3.706 -4.071 1.00 0.00 C ATOM 418 CG PHE A 113 9.195 4.962 -4.887 1.00 0.00 C ATOM 419 CD1 PHE A 113 8.059 5.653 -5.279 1.00 0.00 C ATOM 420 CD2 PHE A 113 10.435 5.454 -5.261 1.00 0.00 C ATOM 421 CE1 PHE A 113 8.159 6.809 -6.029 1.00 0.00 C ATOM 422 CE2 PHE A 113 10.542 6.610 -6.011 1.00 0.00 C ATOM 423 CZ PHE A 113 9.402 7.289 -6.395 1.00 0.00 C ATOM 0 H PHE A 113 7.008 2.377 -4.159 1.00 0.00 H new ATOM 0 HA PHE A 113 9.073 2.701 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.215 3.782 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.960 3.621 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.085 5.284 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 113 11.329 4.927 -4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 113 7.266 7.337 -6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 113 11.515 6.982 -6.296 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.482 8.193 -6.980 1.00 0.00 H new ATOM 433 N LYS A 114 10.048 0.997 -3.297 1.00 0.00 N ATOM 434 CA LYS A 114 11.046 0.052 -2.812 1.00 0.00 C ATOM 435 C LYS A 114 10.921 -1.287 -3.530 1.00 0.00 C ATOM 436 O LYS A 114 11.923 -1.945 -3.816 1.00 0.00 O ATOM 437 CB LYS A 114 10.896 -0.149 -1.302 1.00 0.00 C ATOM 438 CG LYS A 114 12.098 0.323 -0.503 1.00 0.00 C ATOM 439 CD LYS A 114 11.804 1.620 0.233 1.00 0.00 C ATOM 440 CE LYS A 114 11.108 1.362 1.560 1.00 0.00 C ATOM 441 NZ LYS A 114 9.723 1.909 1.575 1.00 0.00 N ATOM 0 H LYS A 114 9.351 1.266 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 114 12.033 0.464 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 114 10.010 0.385 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 114 10.729 -1.207 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 114 12.384 -0.446 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.947 0.467 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.735 2.159 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.178 2.259 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.077 0.289 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.686 1.813 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.282 1.713 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 9.754 2.937 1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.164 1.460 0.821 1.00 0.00 H new ATOM 455 N ARG A 115 9.687 -1.687 -3.818 1.00 0.00 N ATOM 456 CA ARG A 115 9.432 -2.949 -4.503 1.00 0.00 C ATOM 457 C ARG A 115 10.185 -3.009 -5.829 1.00 0.00 C ATOM 458 O ARG A 115 10.566 -4.084 -6.289 1.00 0.00 O ATOM 459 CB ARG A 115 7.933 -3.127 -4.746 1.00 0.00 C ATOM 460 CG ARG A 115 7.456 -4.561 -4.582 1.00 0.00 C ATOM 461 CD ARG A 115 7.285 -5.249 -5.927 1.00 0.00 C ATOM 462 NE ARG A 115 7.223 -6.702 -5.795 1.00 0.00 N ATOM 463 CZ ARG A 115 7.080 -7.528 -6.825 1.00 0.00 C ATOM 464 NH1 ARG A 115 6.984 -7.047 -8.057 1.00 0.00 N ATOM 465 NH2 ARG A 115 7.033 -8.840 -6.624 1.00 0.00 N ATOM 0 H ARG A 115 8.848 -1.155 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 115 9.788 -3.759 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 115 7.383 -2.489 -4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 115 7.694 -2.786 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.172 -5.117 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 115 6.508 -4.571 -4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 115 6.374 -4.889 -6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 115 8.115 -4.980 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 115 7.293 -7.105 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 115 7.020 -6.040 -8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 115 6.874 -7.684 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 115 7.107 -9.214 -5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 115 6.923 -9.474 -7.416 1.00 0.00 H new ATOM 479 N ALA A 116 10.394 -1.846 -6.438 1.00 0.00 N ATOM 480 CA ALA A 116 11.101 -1.767 -7.710 1.00 0.00 C ATOM 481 C ALA A 116 12.592 -2.032 -7.527 1.00 0.00 C ATOM 482 O ALA A 116 13.204 -2.751 -8.315 1.00 0.00 O ATOM 483 CB ALA A 116 10.881 -0.406 -8.353 1.00 0.00 C ATOM 0 H ALA A 116 10.084 -0.946 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 116 10.699 -2.537 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.415 -0.361 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.816 -0.254 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.254 0.374 -7.690 1.00 0.00 H new ATOM 489 N GLU A 117 13.168 -1.447 -6.482 1.00 0.00 N ATOM 490 CA GLU A 117 14.588 -1.620 -6.198 1.00 0.00 C ATOM 491 C GLU A 117 14.919 -3.089 -5.957 1.00 0.00 C ATOM 492 O GLU A 117 15.858 -3.630 -6.544 1.00 0.00 O ATOM 493 CB GLU A 117 14.991 -0.788 -4.978 1.00 0.00 C ATOM 494 CG GLU A 117 16.412 -0.253 -5.049 1.00 0.00 C ATOM 495 CD GLU A 117 16.494 1.228 -4.735 1.00 0.00 C ATOM 496 OE1 GLU A 117 15.767 2.013 -5.379 1.00 0.00 O ATOM 497 OE2 GLU A 117 17.287 1.602 -3.845 1.00 0.00 O ATOM 0 H GLU A 117 12.674 -0.850 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 117 15.151 -1.276 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 117 14.301 0.050 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.886 -1.399 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 117 17.039 -0.804 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 117 16.814 -0.432 -6.046 1.00 0.00 H new ATOM 504 N LEU A 118 14.144 -3.731 -5.090 1.00 0.00 N ATOM 505 CA LEU A 118 14.354 -5.138 -4.770 1.00 0.00 C ATOM 506 C LEU A 118 14.062 -6.021 -5.979 1.00 0.00 C ATOM 507 O LEU A 118 14.673 -7.074 -6.154 1.00 0.00 O ATOM 508 CB LEU A 118 13.467 -5.553 -3.595 1.00 0.00 C ATOM 509 CG LEU A 118 13.515 -7.031 -3.206 1.00 0.00 C ATOM 510 CD1 LEU A 118 13.343 -7.193 -1.704 1.00 0.00 C ATOM 511 CD2 LEU A 118 12.448 -7.815 -3.955 1.00 0.00 C ATOM 0 H LEU A 118 13.364 -3.299 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 118 15.400 -5.269 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.750 -4.960 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 118 12.436 -5.295 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 118 14.491 -7.429 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.380 -8.251 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.144 -6.665 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.381 -6.779 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.497 -8.865 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.464 -7.417 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 118 12.617 -7.726 -5.028 1.00 0.00 H new ATOM 523 N ALA A 119 13.124 -5.583 -6.813 1.00 0.00 N ATOM 524 CA ALA A 119 12.753 -6.330 -8.008 1.00 0.00 C ATOM 525 C ALA A 119 13.951 -6.515 -8.933 1.00 0.00 C ATOM 526 O ALA A 119 14.165 -7.598 -9.479 1.00 0.00 O ATOM 527 CB ALA A 119 11.621 -5.626 -8.741 1.00 0.00 C ATOM 0 H ALA A 119 12.607 -4.714 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 119 12.411 -7.317 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 119 11.355 -6.195 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 119 10.754 -5.551 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 119 11.943 -4.626 -9.032 1.00 0.00 H new ATOM 533 N LEU A 120 14.729 -5.452 -9.106 1.00 0.00 N ATOM 534 CA LEU A 120 15.906 -5.497 -9.966 1.00 0.00 C ATOM 535 C LEU A 120 16.962 -6.438 -9.395 1.00 0.00 C ATOM 536 O LEU A 120 17.575 -7.217 -10.125 1.00 0.00 O ATOM 537 CB LEU A 120 16.493 -4.095 -10.135 1.00 0.00 C ATOM 538 CG LEU A 120 16.455 -3.516 -11.550 1.00 0.00 C ATOM 539 CD1 LEU A 120 17.287 -4.367 -12.497 1.00 0.00 C ATOM 540 CD2 LEU A 120 15.020 -3.412 -12.045 1.00 0.00 C ATOM 0 H LEU A 120 14.566 -4.548 -8.662 1.00 0.00 H new ATOM 0 HA LEU A 120 15.599 -5.875 -10.941 1.00 0.00 H new ATOM 0 HB2 LEU A 120 15.957 -3.416 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 120 17.530 -4.115 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 120 16.883 -2.514 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 120 17.248 -3.940 -13.499 1.00 0.00 H new ATOM 0 HD12 LEU A 120 18.321 -4.390 -12.152 1.00 0.00 H new ATOM 0 HD13 LEU A 120 16.889 -5.382 -12.519 1.00 0.00 H new ATOM 0 HD21 LEU A 120 15.012 -2.998 -13.053 1.00 0.00 H new ATOM 0 HD22 LEU A 120 14.566 -4.403 -12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 120 14.452 -2.760 -11.381 1.00 0.00 H new ATOM 552 N LYS A 121 17.169 -6.360 -8.085 1.00 0.00 N ATOM 553 CA LYS A 121 18.149 -7.206 -7.414 1.00 0.00 C ATOM 554 C LYS A 121 17.915 -8.677 -7.744 1.00 0.00 C ATOM 555 O LYS A 121 16.841 -9.218 -7.480 1.00 0.00 O ATOM 556 CB LYS A 121 18.082 -6.995 -5.899 1.00 0.00 C ATOM 557 CG LYS A 121 19.422 -7.157 -5.204 1.00 0.00 C ATOM 558 CD LYS A 121 19.527 -6.262 -3.980 1.00 0.00 C ATOM 559 CE LYS A 121 19.879 -4.833 -4.363 1.00 0.00 C ATOM 560 NZ LYS A 121 20.971 -4.283 -3.514 1.00 0.00 N ATOM 0 H LYS A 121 16.671 -5.719 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 121 19.140 -6.925 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.695 -5.996 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.373 -7.704 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 121 19.556 -8.197 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 121 20.226 -6.918 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 121 18.581 -6.272 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 121 20.286 -6.656 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 121 20.182 -4.802 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 121 18.994 -4.204 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 21.181 -3.307 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.672 -4.289 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 21.824 -4.868 -3.623 1.00 0.00 H new ATOM 574 N ARG A 122 18.926 -9.317 -8.322 1.00 0.00 N ATOM 575 CA ARG A 122 18.829 -10.725 -8.687 1.00 0.00 C ATOM 576 C ARG A 122 19.929 -11.538 -8.012 1.00 0.00 C ATOM 577 O ARG A 122 20.185 -12.683 -8.383 1.00 0.00 O ATOM 578 CB ARG A 122 18.920 -10.886 -10.206 1.00 0.00 C ATOM 579 CG ARG A 122 17.624 -11.353 -10.848 1.00 0.00 C ATOM 580 CD ARG A 122 17.861 -12.511 -11.804 1.00 0.00 C ATOM 581 NE ARG A 122 18.236 -13.735 -11.099 1.00 0.00 N ATOM 582 CZ ARG A 122 18.791 -14.785 -11.694 1.00 0.00 C ATOM 583 NH1 ARG A 122 19.034 -14.761 -12.997 1.00 0.00 N ATOM 584 NH2 ARG A 122 19.105 -15.862 -10.985 1.00 0.00 N ATOM 0 H ARG A 122 19.821 -8.883 -8.547 1.00 0.00 H new ATOM 0 HA ARG A 122 17.864 -11.098 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 122 19.211 -9.933 -10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.710 -11.600 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 122 16.922 -11.658 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 122 17.164 -10.524 -11.386 1.00 0.00 H new ATOM 0 HD2 ARG A 122 16.958 -12.691 -12.387 1.00 0.00 H new ATOM 0 HD3 ARG A 122 18.648 -12.243 -12.510 1.00 0.00 H new ATOM 0 HE ARG A 122 18.062 -13.786 -10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 122 18.795 -13.935 -13.545 1.00 0.00 H new ATOM 0 HH12 ARG A 122 19.460 -15.569 -13.451 1.00 0.00 H new ATOM 0 HH21 ARG A 122 18.920 -15.884 -9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 122 19.531 -16.668 -11.443 1.00 0.00 H new ATOM 598 N ALA A 123 20.576 -10.938 -7.018 1.00 0.00 N ATOM 599 CA ALA A 123 21.647 -11.608 -6.289 1.00 0.00 C ATOM 600 C ALA A 123 21.095 -12.410 -5.116 1.00 0.00 C ATOM 601 O ALA A 123 21.647 -13.445 -4.746 1.00 0.00 O ATOM 602 CB ALA A 123 22.668 -10.591 -5.802 1.00 0.00 C ATOM 0 H ALA A 123 20.378 -9.990 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 123 22.138 -12.303 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 123 23.462 -11.104 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 123 23.094 -10.065 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 123 22.181 -9.874 -5.141 1.00 0.00 H new ATOM 608 N MET A 124 20.002 -11.924 -4.535 1.00 0.00 N ATOM 609 CA MET A 124 19.375 -12.598 -3.404 1.00 0.00 C ATOM 610 C MET A 124 19.054 -14.050 -3.745 1.00 0.00 C ATOM 611 O MET A 124 19.076 -14.920 -2.877 1.00 0.00 O ATOM 612 CB MET A 124 18.098 -11.864 -2.990 1.00 0.00 C ATOM 613 CG MET A 124 16.999 -11.918 -4.039 1.00 0.00 C ATOM 614 SD MET A 124 15.715 -10.682 -3.764 1.00 0.00 S ATOM 615 CE MET A 124 14.892 -11.364 -2.326 1.00 0.00 C ATOM 0 H MET A 124 19.533 -11.067 -4.829 1.00 0.00 H new ATOM 0 HA MET A 124 20.078 -12.587 -2.571 1.00 0.00 H new ATOM 0 HB2 MET A 124 17.725 -12.297 -2.062 1.00 0.00 H new ATOM 0 HB3 MET A 124 18.339 -10.822 -2.781 1.00 0.00 H new ATOM 0 HG2 MET A 124 17.437 -11.768 -5.026 1.00 0.00 H new ATOM 0 HG3 MET A 124 16.549 -12.911 -4.037 1.00 0.00 H new ATOM 0 HE1 MET A 124 14.071 -10.710 -2.033 1.00 0.00 H new ATOM 0 HE2 MET A 124 14.501 -12.353 -2.565 1.00 0.00 H new ATOM 0 HE3 MET A 124 15.603 -11.444 -1.504 1.00 0.00 H new ATOM 625 N ASN A 125 18.754 -14.302 -5.015 1.00 0.00 N ATOM 626 CA ASN A 125 18.427 -15.648 -5.470 1.00 0.00 C ATOM 627 C ASN A 125 19.619 -16.585 -5.298 1.00 0.00 C ATOM 628 O ASN A 125 19.494 -17.665 -4.720 1.00 0.00 O ATOM 629 CB ASN A 125 17.993 -15.622 -6.937 1.00 0.00 C ATOM 630 CG ASN A 125 16.511 -15.895 -7.106 1.00 0.00 C ATOM 631 OD1 ASN A 125 15.706 -15.581 -6.229 1.00 0.00 O ATOM 632 ND2 ASN A 125 16.143 -16.482 -8.239 1.00 0.00 N ATOM 0 H ASN A 125 18.731 -13.592 -5.747 1.00 0.00 H new ATOM 0 HA ASN A 125 17.603 -16.020 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.232 -14.649 -7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.563 -16.365 -7.495 1.00 0.00 H new ATOM 0 HD21 ASN A 125 15.159 -16.690 -8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.844 -16.725 -8.939 1.00 0.00 H new ATOM 639 N ARG A 126 20.774 -16.164 -5.802 1.00 0.00 N ATOM 640 CA ARG A 126 21.988 -16.965 -5.705 1.00 0.00 C ATOM 641 C ARG A 126 22.363 -17.208 -4.246 1.00 0.00 C ATOM 642 O ARG A 126 22.987 -18.217 -3.914 1.00 0.00 O ATOM 643 CB ARG A 126 23.142 -16.270 -6.430 1.00 0.00 C ATOM 644 CG ARG A 126 22.871 -16.017 -7.904 1.00 0.00 C ATOM 645 CD ARG A 126 24.158 -15.997 -8.713 1.00 0.00 C ATOM 646 NE ARG A 126 23.924 -15.624 -10.106 1.00 0.00 N ATOM 647 CZ ARG A 126 24.893 -15.500 -11.006 1.00 0.00 C ATOM 648 NH1 ARG A 126 26.155 -15.717 -10.660 1.00 0.00 N ATOM 649 NH2 ARG A 126 24.601 -15.158 -12.254 1.00 0.00 N ATOM 0 H ARG A 126 20.895 -15.272 -6.282 1.00 0.00 H new ATOM 0 HA ARG A 126 21.797 -17.928 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 126 23.348 -15.319 -5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 126 24.040 -16.880 -6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 126 22.209 -16.791 -8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 126 22.352 -15.066 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 126 24.858 -15.294 -8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 126 24.625 -16.981 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 126 22.964 -15.449 -10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 126 26.383 -15.980 -9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 126 26.897 -15.621 -11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 126 23.632 -14.990 -12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 126 25.346 -15.063 -12.944 1.00 0.00 H new ATOM 663 N LEU A 127 21.979 -16.278 -3.379 1.00 0.00 N ATOM 664 CA LEU A 127 22.275 -16.391 -1.955 1.00 0.00 C ATOM 665 C LEU A 127 21.190 -17.184 -1.234 1.00 0.00 C ATOM 666 O LEU A 127 20.164 -16.632 -0.837 1.00 0.00 O ATOM 667 CB LEU A 127 22.407 -15.000 -1.330 1.00 0.00 C ATOM 668 CG LEU A 127 23.053 -14.946 0.055 1.00 0.00 C ATOM 669 CD1 LEU A 127 24.524 -14.578 -0.056 1.00 0.00 C ATOM 670 CD2 LEU A 127 22.319 -13.955 0.947 1.00 0.00 C ATOM 0 H LEU A 127 21.462 -15.437 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 127 23.220 -16.923 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 127 22.990 -14.374 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 127 21.413 -14.558 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 127 22.981 -15.935 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 127 24.967 -14.544 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 127 25.041 -15.325 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 127 24.620 -13.601 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 127 22.792 -13.929 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 127 22.360 -12.962 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 127 21.279 -14.263 1.054 1.00 0.00 H new TER 682 LEU A 127