USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 SER OG : rot -173:sc= 0.48 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -140:sc= 0.378 (180deg=-1.41) USER MOD Single : A 0 SER N :NH3+ -140:sc= -1.33 (180deg=-2.28!) USER MOD Single : A 0 SER OG : rot 53:sc= 0.262 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.012 K(o=-0.012,f=-2.4) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 0.914 (180deg=0.856) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 0.62 (180deg=-0.64) USER MOD Single : A 30 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.5!) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0151) USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -0.854 (180deg=-2.74!) USER MOD Single : A 37 TYR OH : rot 30:sc= -2.42! USER MOD Single : A 41 THR OG1 : rot -174:sc= -0.954! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -47:sc= -0.634 USER MOD Single : A 50 SER OG : rot -109:sc= 0.547 USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= -0.076 (180deg=-0.421) USER MOD Single : A 56 TYR OH : rot -106:sc= 0.642 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= -2.78! (180deg=-6.36!) USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= 2.13 (180deg=0.436) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -125:sc= -1.63 (180deg=-8.45!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 0 8.298 6.224 2.991 1.00 0.00 N ATOM 11 CA SER A 0 8.209 4.784 3.175 1.00 0.00 C ATOM 12 C SER A 0 9.507 4.277 3.796 1.00 0.00 C ATOM 13 O SER A 0 10.511 4.112 3.107 1.00 0.00 O ATOM 14 CB SER A 0 7.941 4.081 1.837 1.00 0.00 C ATOM 15 OG SER A 0 7.924 2.673 1.989 1.00 0.00 O ATOM 0 H1 SER A 0 7.386 6.662 3.232 1.00 0.00 H new ATOM 0 H2 SER A 0 9.041 6.608 3.610 1.00 0.00 H new ATOM 0 H3 SER A 0 8.531 6.434 1.999 1.00 0.00 H new ATOM 0 HA SER A 0 7.377 4.559 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 0 6.986 4.417 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.709 4.362 1.116 1.00 0.00 H new ATOM 0 HG SER A 0 7.296 2.428 2.701 1.00 0.00 H new ATOM 21 N LEU A 1 9.488 4.061 5.101 1.00 0.00 N ATOM 22 CA LEU A 1 10.697 3.727 5.837 1.00 0.00 C ATOM 23 C LEU A 1 10.813 2.229 6.098 1.00 0.00 C ATOM 24 O LEU A 1 10.060 1.656 6.885 1.00 0.00 O ATOM 25 CB LEU A 1 10.762 4.500 7.163 1.00 0.00 C ATOM 26 CG LEU A 1 9.511 4.420 8.048 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.872 4.656 9.503 1.00 0.00 C ATOM 28 CD2 LEU A 1 8.458 5.419 7.591 1.00 0.00 C ATOM 0 H LEU A 1 8.646 4.111 5.674 1.00 0.00 H new ATOM 0 HA LEU A 1 11.540 4.022 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.613 4.130 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.959 5.549 6.941 1.00 0.00 H new ATOM 0 HG LEU A 1 9.092 3.418 7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.972 4.596 10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.584 3.898 9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.319 5.644 9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 1 7.581 5.343 8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 1 8.865 6.429 7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.173 5.202 6.562 1.00 0.00 H new ATOM 40 N ILE A 2 11.764 1.611 5.415 1.00 0.00 N ATOM 41 CA ILE A 2 12.115 0.215 5.624 1.00 0.00 C ATOM 42 C ILE A 2 13.359 -0.116 4.794 1.00 0.00 C ATOM 43 O ILE A 2 13.279 -0.583 3.657 1.00 0.00 O ATOM 44 CB ILE A 2 10.940 -0.755 5.299 1.00 0.00 C ATOM 45 CG1 ILE A 2 11.343 -2.201 5.597 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.462 -0.615 3.856 1.00 0.00 C ATOM 47 CD1 ILE A 2 11.650 -2.460 7.058 1.00 0.00 C ATOM 0 H ILE A 2 12.319 2.069 4.693 1.00 0.00 H new ATOM 0 HA ILE A 2 12.332 0.072 6.683 1.00 0.00 H new ATOM 0 HB ILE A 2 10.104 -0.481 5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.539 -2.865 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.219 -2.455 5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.642 -1.310 3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.117 0.405 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.285 -0.839 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 2 11.928 -3.506 7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.475 -1.822 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.768 -2.239 7.660 1.00 0.00 H new ATOM 59 N LEU A 3 14.520 0.179 5.357 1.00 0.00 N ATOM 60 CA LEU A 3 15.761 0.080 4.605 1.00 0.00 C ATOM 61 C LEU A 3 16.756 -0.865 5.261 1.00 0.00 C ATOM 62 O LEU A 3 16.929 -1.993 4.805 1.00 0.00 O ATOM 63 CB LEU A 3 16.398 1.468 4.373 1.00 0.00 C ATOM 64 CG LEU A 3 16.692 2.336 5.607 1.00 0.00 C ATOM 65 CD1 LEU A 3 17.639 3.467 5.230 1.00 0.00 C ATOM 66 CD2 LEU A 3 15.414 2.896 6.219 1.00 0.00 C ATOM 0 H LEU A 3 14.629 0.486 6.323 1.00 0.00 H new ATOM 0 HA LEU A 3 15.501 -0.340 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.335 1.321 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.738 2.034 3.715 1.00 0.00 H new ATOM 0 HG LEU A 3 17.165 1.704 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.843 4.079 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.573 3.049 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.180 4.084 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.663 3.504 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.897 3.511 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.766 2.074 6.524 1.00 0.00 H new ATOM 78 N ASP A 4 17.423 -0.393 6.316 1.00 0.00 N ATOM 79 CA ASP A 4 18.459 -1.169 7.000 1.00 0.00 C ATOM 80 C ASP A 4 19.568 -1.567 6.025 1.00 0.00 C ATOM 81 O ASP A 4 20.358 -2.472 6.293 1.00 0.00 O ATOM 82 CB ASP A 4 17.860 -2.414 7.666 1.00 0.00 C ATOM 83 CG ASP A 4 16.940 -2.067 8.818 1.00 0.00 C ATOM 84 OD1 ASP A 4 15.728 -1.870 8.587 1.00 0.00 O ATOM 85 OD2 ASP A 4 17.425 -1.979 9.967 1.00 0.00 O ATOM 0 H ASP A 4 17.262 0.531 6.718 1.00 0.00 H new ATOM 0 HA ASP A 4 18.892 -0.540 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.307 -2.989 6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.666 -3.052 8.028 1.00 0.00 H new ATOM 90 N GLY A 5 19.632 -0.859 4.904 1.00 0.00 N ATOM 91 CA GLY A 5 20.603 -1.167 3.881 1.00 0.00 C ATOM 92 C GLY A 5 19.963 -1.708 2.619 1.00 0.00 C ATOM 93 O GLY A 5 20.474 -2.661 2.032 1.00 0.00 O ATOM 0 H GLY A 5 19.021 -0.071 4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.170 -0.268 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 5 21.313 -1.898 4.267 1.00 0.00 H new ATOM 97 N ASP A 6 18.850 -1.092 2.194 1.00 0.00 N ATOM 98 CA ASP A 6 18.147 -1.492 0.970 1.00 0.00 C ATOM 99 C ASP A 6 17.724 -2.968 0.994 1.00 0.00 C ATOM 100 O ASP A 6 17.533 -3.574 -0.062 1.00 0.00 O ATOM 101 CB ASP A 6 19.042 -1.250 -0.257 1.00 0.00 C ATOM 102 CG ASP A 6 19.499 0.189 -0.396 1.00 0.00 C ATOM 103 OD1 ASP A 6 19.033 0.882 -1.323 1.00 0.00 O ATOM 104 OD2 ASP A 6 20.346 0.634 0.410 1.00 0.00 O ATOM 0 H ASP A 6 18.417 -0.310 2.685 1.00 0.00 H new ATOM 0 HA ASP A 6 17.245 -0.882 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.917 -1.896 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.498 -1.539 -1.156 1.00 0.00 H new ATOM 109 N LEU A 7 17.533 -3.542 2.179 1.00 0.00 N ATOM 110 CA LEU A 7 17.306 -4.979 2.286 1.00 0.00 C ATOM 111 C LEU A 7 16.207 -5.292 3.288 1.00 0.00 C ATOM 112 O LEU A 7 15.819 -4.439 4.083 1.00 0.00 O ATOM 113 CB LEU A 7 18.592 -5.703 2.702 1.00 0.00 C ATOM 114 CG LEU A 7 19.742 -5.644 1.696 1.00 0.00 C ATOM 115 CD1 LEU A 7 20.990 -6.285 2.282 1.00 0.00 C ATOM 116 CD2 LEU A 7 19.353 -6.328 0.395 1.00 0.00 C ATOM 0 H LEU A 7 17.531 -3.041 3.068 1.00 0.00 H new ATOM 0 HA LEU A 7 16.995 -5.331 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.937 -5.279 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.353 -6.749 2.891 1.00 0.00 H new ATOM 0 HG LEU A 7 19.957 -4.597 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 7 21.800 -6.236 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.282 -5.752 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 7 20.784 -7.327 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 7 20.185 -6.275 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 7 19.110 -7.372 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.484 -5.828 -0.033 1.00 0.00 H new ATOM 128 N LEU A 8 15.728 -6.531 3.254 1.00 0.00 N ATOM 129 CA LEU A 8 14.683 -6.988 4.159 1.00 0.00 C ATOM 130 C LEU A 8 14.376 -8.458 3.891 1.00 0.00 C ATOM 131 O LEU A 8 15.037 -9.339 4.443 1.00 0.00 O ATOM 132 CB LEU A 8 13.422 -6.137 4.002 1.00 0.00 C ATOM 133 CG LEU A 8 12.325 -6.407 5.033 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.820 -6.112 6.440 1.00 0.00 C ATOM 135 CD2 LEU A 8 11.095 -5.581 4.713 1.00 0.00 C ATOM 0 H LEU A 8 16.053 -7.243 2.600 1.00 0.00 H new ATOM 0 HA LEU A 8 15.034 -6.882 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.703 -5.085 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.012 -6.303 3.006 1.00 0.00 H new ATOM 0 HG LEU A 8 12.058 -7.463 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.022 -6.311 7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.677 -6.747 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.116 -5.065 6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.320 -5.781 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.352 -4.522 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.727 -5.846 3.722 1.00 0.00 H new ATOM 147 N LYS A 9 13.374 -8.711 3.040 1.00 0.00 N ATOM 148 CA LYS A 9 13.079 -10.055 2.532 1.00 0.00 C ATOM 149 C LYS A 9 12.850 -11.047 3.670 1.00 0.00 C ATOM 150 O LYS A 9 13.158 -12.235 3.542 1.00 0.00 O ATOM 151 CB LYS A 9 14.231 -10.536 1.643 1.00 0.00 C ATOM 152 CG LYS A 9 14.655 -9.519 0.596 1.00 0.00 C ATOM 153 CD LYS A 9 15.905 -9.967 -0.144 1.00 0.00 C ATOM 154 CE LYS A 9 16.573 -8.804 -0.853 1.00 0.00 C ATOM 155 NZ LYS A 9 17.893 -9.173 -1.425 1.00 0.00 N ATOM 0 H LYS A 9 12.746 -7.990 2.685 1.00 0.00 H new ATOM 0 HA LYS A 9 12.161 -10.001 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.088 -10.777 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.933 -11.458 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.844 -9.369 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.840 -8.558 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.605 -10.417 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.644 -10.737 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.922 -8.446 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.702 -7.980 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.309 -8.346 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.525 -9.490 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.770 -9.941 -2.115 1.00 0.00 H new ATOM 169 N ASP A 10 12.285 -10.570 4.770 1.00 0.00 N ATOM 170 CA ASP A 10 12.131 -11.399 5.955 1.00 0.00 C ATOM 171 C ASP A 10 10.987 -12.382 5.771 1.00 0.00 C ATOM 172 O ASP A 10 11.187 -13.595 5.803 1.00 0.00 O ATOM 173 CB ASP A 10 11.889 -10.544 7.196 1.00 0.00 C ATOM 174 CG ASP A 10 11.944 -11.367 8.465 1.00 0.00 C ATOM 175 OD1 ASP A 10 13.063 -11.606 8.969 1.00 0.00 O ATOM 176 OD2 ASP A 10 10.879 -11.791 8.956 1.00 0.00 O ATOM 0 H ASP A 10 11.928 -9.619 4.866 1.00 0.00 H new ATOM 0 HA ASP A 10 13.058 -11.955 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.637 -9.752 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.916 -10.059 7.119 1.00 0.00 H new ATOM 181 N LYS A 11 9.793 -11.854 5.545 1.00 0.00 N ATOM 182 CA LYS A 11 8.617 -12.686 5.338 1.00 0.00 C ATOM 183 C LYS A 11 8.394 -12.923 3.851 1.00 0.00 C ATOM 184 O LYS A 11 7.265 -13.019 3.375 1.00 0.00 O ATOM 185 CB LYS A 11 7.390 -12.045 5.987 1.00 0.00 C ATOM 186 CG LYS A 11 7.482 -11.998 7.503 1.00 0.00 C ATOM 187 CD LYS A 11 6.185 -11.532 8.142 1.00 0.00 C ATOM 188 CE LYS A 11 6.232 -11.697 9.652 1.00 0.00 C ATOM 189 NZ LYS A 11 4.941 -11.351 10.301 1.00 0.00 N ATOM 0 H LYS A 11 9.613 -10.851 5.500 1.00 0.00 H new ATOM 0 HA LYS A 11 8.780 -13.653 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.269 -11.032 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.499 -12.603 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.736 -12.988 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.291 -11.328 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.008 -10.486 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.350 -12.103 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.492 -12.727 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.021 -11.065 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.967 -11.638 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.786 -10.325 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.166 -11.848 9.818 1.00 0.00 H new ATOM 203 N LEU A 12 9.499 -13.037 3.131 1.00 0.00 N ATOM 204 CA LEU A 12 9.474 -13.314 1.707 1.00 0.00 C ATOM 205 C LEU A 12 9.019 -14.756 1.459 1.00 0.00 C ATOM 206 O LEU A 12 8.907 -15.548 2.399 1.00 0.00 O ATOM 207 CB LEU A 12 10.876 -13.084 1.122 1.00 0.00 C ATOM 208 CG LEU A 12 10.982 -13.101 -0.405 1.00 0.00 C ATOM 209 CD1 LEU A 12 10.128 -12.000 -1.011 1.00 0.00 C ATOM 210 CD2 LEU A 12 12.432 -12.945 -0.838 1.00 0.00 C ATOM 0 H LEU A 12 10.437 -12.940 3.519 1.00 0.00 H new ATOM 0 HA LEU A 12 8.768 -12.644 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.243 -12.122 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.543 -13.848 1.520 1.00 0.00 H new ATOM 0 HG LEU A 12 10.613 -14.062 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.216 -12.027 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.086 -12.150 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.468 -11.032 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.490 -12.959 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.823 -11.998 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.023 -13.766 -0.432 1.00 0.00 H new ATOM 222 N LYS A 13 8.756 -15.080 0.192 1.00 0.00 N ATOM 223 CA LYS A 13 8.378 -16.436 -0.234 1.00 0.00 C ATOM 224 C LYS A 13 6.981 -16.805 0.252 1.00 0.00 C ATOM 225 O LYS A 13 6.586 -17.972 0.236 1.00 0.00 O ATOM 226 CB LYS A 13 9.394 -17.488 0.241 1.00 0.00 C ATOM 227 CG LYS A 13 10.842 -17.145 -0.075 1.00 0.00 C ATOM 228 CD LYS A 13 11.606 -16.798 1.194 1.00 0.00 C ATOM 229 CE LYS A 13 12.961 -16.189 0.893 1.00 0.00 C ATOM 230 NZ LYS A 13 13.698 -15.844 2.135 1.00 0.00 N ATOM 0 H LYS A 13 8.798 -14.408 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 13 8.376 -16.431 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.290 -17.617 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.151 -18.446 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.320 -17.989 -0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.878 -16.304 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.019 -16.100 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.738 -17.698 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.551 -16.890 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.830 -15.293 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.620 -15.430 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.146 -15.156 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.845 -16.704 2.702 1.00 0.00 H new ATOM 244 N LEU A 14 6.235 -15.802 0.665 1.00 0.00 N ATOM 245 CA LEU A 14 4.867 -15.990 1.086 1.00 0.00 C ATOM 246 C LEU A 14 3.915 -15.512 -0.001 1.00 0.00 C ATOM 247 O LEU A 14 4.170 -14.493 -0.646 1.00 0.00 O ATOM 248 CB LEU A 14 4.611 -15.215 2.375 1.00 0.00 C ATOM 249 CG LEU A 14 5.282 -15.778 3.631 1.00 0.00 C ATOM 250 CD1 LEU A 14 5.032 -14.866 4.822 1.00 0.00 C ATOM 251 CD2 LEU A 14 4.778 -17.181 3.921 1.00 0.00 C ATOM 0 H LEU A 14 6.561 -14.837 0.717 1.00 0.00 H new ATOM 0 HA LEU A 14 4.695 -17.051 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.949 -14.188 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.535 -15.176 2.546 1.00 0.00 H new ATOM 0 HG LEU A 14 6.356 -15.828 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.516 -15.281 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.441 -13.877 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.960 -14.785 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.266 -17.565 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.700 -17.155 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.006 -17.831 3.077 1.00 0.00 H new ATOM 263 N PRO A 15 2.822 -16.252 -0.241 1.00 0.00 N ATOM 264 CA PRO A 15 1.771 -15.826 -1.166 1.00 0.00 C ATOM 265 C PRO A 15 1.131 -14.547 -0.681 1.00 0.00 C ATOM 266 O PRO A 15 1.104 -13.525 -1.366 1.00 0.00 O ATOM 267 CB PRO A 15 0.771 -16.989 -1.143 1.00 0.00 C ATOM 268 CG PRO A 15 1.543 -18.141 -0.612 1.00 0.00 C ATOM 269 CD PRO A 15 2.522 -17.558 0.359 1.00 0.00 C ATOM 0 HA PRO A 15 2.142 -15.616 -2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.086 -16.761 -0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.384 -17.198 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.886 -18.860 -0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.056 -18.672 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.094 -17.458 1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.415 -18.175 0.456 1.00 0.00 H new ATOM 277 N VAL A 16 0.645 -14.635 0.523 1.00 0.00 N ATOM 278 CA VAL A 16 0.141 -13.490 1.244 1.00 0.00 C ATOM 279 C VAL A 16 0.779 -13.426 2.628 1.00 0.00 C ATOM 280 O VAL A 16 0.822 -14.409 3.371 1.00 0.00 O ATOM 281 CB VAL A 16 -1.403 -13.498 1.349 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.899 -14.670 2.179 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.919 -12.177 1.905 1.00 0.00 C ATOM 0 H VAL A 16 0.584 -15.511 1.042 1.00 0.00 H new ATOM 0 HA VAL A 16 0.413 -12.597 0.682 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.800 -13.619 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.987 -14.644 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.580 -15.604 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.486 -14.604 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.007 -12.209 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.502 -12.013 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.618 -11.363 1.246 1.00 0.00 H new ATOM 293 N ILE A 17 1.320 -12.270 2.929 1.00 0.00 N ATOM 294 CA ILE A 17 1.954 -11.998 4.205 1.00 0.00 C ATOM 295 C ILE A 17 0.889 -11.461 5.165 1.00 0.00 C ATOM 296 O ILE A 17 -0.271 -11.319 4.769 1.00 0.00 O ATOM 297 CB ILE A 17 3.108 -10.973 4.012 1.00 0.00 C ATOM 298 CG1 ILE A 17 4.017 -11.416 2.863 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.935 -10.800 5.273 1.00 0.00 C ATOM 300 CD1 ILE A 17 5.198 -10.497 2.630 1.00 0.00 C ATOM 0 H ILE A 17 1.334 -11.477 2.287 1.00 0.00 H new ATOM 0 HA ILE A 17 2.386 -12.908 4.622 1.00 0.00 H new ATOM 0 HB ILE A 17 2.651 -10.012 3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.385 -12.421 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.428 -11.475 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.729 -10.075 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.296 -10.443 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.375 -11.757 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.796 -10.876 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.839 -9.496 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.811 -10.457 3.530 1.00 0.00 H new ATOM 312 N ASP A 18 1.260 -11.201 6.416 1.00 0.00 N ATOM 313 CA ASP A 18 0.333 -10.654 7.400 1.00 0.00 C ATOM 314 C ASP A 18 -0.374 -9.430 6.842 1.00 0.00 C ATOM 315 O ASP A 18 0.271 -8.445 6.481 1.00 0.00 O ATOM 316 CB ASP A 18 1.076 -10.260 8.681 1.00 0.00 C ATOM 317 CG ASP A 18 1.723 -11.434 9.376 1.00 0.00 C ATOM 318 OD1 ASP A 18 2.767 -11.915 8.891 1.00 0.00 O ATOM 319 OD2 ASP A 18 1.203 -11.875 10.418 1.00 0.00 O ATOM 0 H ASP A 18 2.202 -11.362 6.773 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.402 -11.425 7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.841 -9.523 8.438 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.377 -9.780 9.366 1.00 0.00 H new ATOM 324 N ASN A 19 -1.697 -9.491 6.767 1.00 0.00 N ATOM 325 CA ASN A 19 -2.471 -8.356 6.285 1.00 0.00 C ATOM 326 C ASN A 19 -2.414 -7.230 7.309 1.00 0.00 C ATOM 327 O ASN A 19 -2.628 -6.066 6.981 1.00 0.00 O ATOM 328 CB ASN A 19 -3.926 -8.745 5.977 1.00 0.00 C ATOM 329 CG ASN A 19 -4.750 -9.079 7.211 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.238 -9.593 8.205 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.039 -8.788 7.152 1.00 0.00 N ATOM 0 H ASN A 19 -2.251 -10.305 7.031 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.031 -8.014 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.406 -7.925 5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.928 -9.605 5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.644 -8.989 7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.428 -8.362 6.311 1.00 0.00 H new ATOM 338 N LEU A 20 -2.109 -7.593 8.551 1.00 0.00 N ATOM 339 CA LEU A 20 -1.859 -6.623 9.596 1.00 0.00 C ATOM 340 C LEU A 20 -0.507 -5.961 9.379 1.00 0.00 C ATOM 341 O LEU A 20 -0.344 -4.770 9.624 1.00 0.00 O ATOM 342 CB LEU A 20 -1.901 -7.300 10.964 1.00 0.00 C ATOM 343 CG LEU A 20 -1.364 -6.456 12.115 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.207 -5.205 12.306 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.309 -7.273 13.392 1.00 0.00 C ATOM 0 H LEU A 20 -2.030 -8.564 8.854 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.635 -5.859 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.932 -7.576 11.185 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.327 -8.225 10.913 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.350 -6.142 11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.805 -4.618 13.132 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.186 -4.609 11.394 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.235 -5.490 12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.923 -6.655 14.203 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.311 -7.620 13.645 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.653 -8.131 13.247 1.00 0.00 H new ATOM 357 N PHE A 21 0.464 -6.736 8.911 1.00 0.00 N ATOM 358 CA PHE A 21 1.771 -6.187 8.584 1.00 0.00 C ATOM 359 C PHE A 21 1.621 -5.179 7.462 1.00 0.00 C ATOM 360 O PHE A 21 2.196 -4.091 7.506 1.00 0.00 O ATOM 361 CB PHE A 21 2.745 -7.291 8.169 1.00 0.00 C ATOM 362 CG PHE A 21 4.116 -6.774 7.845 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.914 -6.219 8.833 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.603 -6.836 6.552 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.172 -5.736 8.535 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.859 -6.357 6.249 1.00 0.00 C ATOM 367 CZ PHE A 21 6.646 -5.805 7.240 1.00 0.00 C ATOM 0 H PHE A 21 0.371 -7.739 8.751 1.00 0.00 H new ATOM 0 HA PHE A 21 2.177 -5.698 9.470 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.820 -8.023 8.973 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.345 -7.813 7.300 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.547 -6.164 9.847 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.992 -7.265 5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.784 -5.305 9.313 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.228 -6.413 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.630 -5.428 7.003 1.00 0.00 H new ATOM 377 N GLY A 22 0.830 -5.548 6.464 1.00 0.00 N ATOM 378 CA GLY A 22 0.500 -4.625 5.407 1.00 0.00 C ATOM 379 C GLY A 22 -0.238 -3.426 5.950 1.00 0.00 C ATOM 380 O GLY A 22 0.091 -2.291 5.629 1.00 0.00 O ATOM 0 H GLY A 22 0.412 -6.474 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.411 -4.300 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.114 -5.127 4.659 1.00 0.00 H new ATOM 384 N LYS A 23 -1.220 -3.691 6.804 1.00 0.00 N ATOM 385 CA LYS A 23 -2.003 -2.641 7.443 1.00 0.00 C ATOM 386 C LYS A 23 -1.077 -1.634 8.103 1.00 0.00 C ATOM 387 O LYS A 23 -1.257 -0.433 7.978 1.00 0.00 O ATOM 388 CB LYS A 23 -2.921 -3.255 8.499 1.00 0.00 C ATOM 389 CG LYS A 23 -4.204 -2.476 8.739 1.00 0.00 C ATOM 390 CD LYS A 23 -5.180 -2.627 7.584 1.00 0.00 C ATOM 391 CE LYS A 23 -6.518 -1.975 7.901 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.548 -2.278 6.872 1.00 0.00 N ATOM 0 H LYS A 23 -1.495 -4.636 7.072 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.604 -2.136 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.177 -4.270 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.375 -3.332 9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.673 -2.823 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.968 -1.421 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.757 -2.176 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.331 -3.685 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.867 -2.320 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.386 -0.895 7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.476 -1.945 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.303 -1.797 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.586 -3.305 6.711 1.00 0.00 H new ATOM 406 N GLU A 24 -0.073 -2.161 8.782 1.00 0.00 N ATOM 407 CA GLU A 24 0.927 -1.379 9.465 1.00 0.00 C ATOM 408 C GLU A 24 1.726 -0.502 8.508 1.00 0.00 C ATOM 409 O GLU A 24 2.062 0.635 8.842 1.00 0.00 O ATOM 410 CB GLU A 24 1.838 -2.335 10.199 1.00 0.00 C ATOM 411 CG GLU A 24 1.248 -2.830 11.497 1.00 0.00 C ATOM 412 CD GLU A 24 1.309 -1.801 12.607 1.00 0.00 C ATOM 413 OE1 GLU A 24 0.660 -0.742 12.490 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.019 -2.050 13.605 1.00 0.00 O ATOM 0 H GLU A 24 0.067 -3.167 8.872 1.00 0.00 H new ATOM 0 HA GLU A 24 0.436 -0.700 10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.055 -3.188 9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.787 -1.840 10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.209 -3.116 11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.780 -3.728 11.812 1.00 0.00 H new ATOM 421 N LEU A 25 2.058 -1.037 7.337 1.00 0.00 N ATOM 422 CA LEU A 25 2.723 -0.245 6.306 1.00 0.00 C ATOM 423 C LEU A 25 1.833 0.922 5.924 1.00 0.00 C ATOM 424 O LEU A 25 2.198 2.085 6.079 1.00 0.00 O ATOM 425 CB LEU A 25 2.973 -1.055 5.030 1.00 0.00 C ATOM 426 CG LEU A 25 3.520 -2.463 5.203 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.515 -3.185 3.868 1.00 0.00 C ATOM 428 CD2 LEU A 25 4.911 -2.439 5.816 1.00 0.00 C ATOM 0 H LEU A 25 1.880 -2.008 7.079 1.00 0.00 H new ATOM 0 HA LEU A 25 3.678 0.083 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.034 -1.121 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.669 -0.496 4.404 1.00 0.00 H new ATOM 0 HG LEU A 25 2.875 -3.008 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.908 -4.193 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.495 -3.239 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.138 -2.641 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.277 -3.460 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.585 -1.881 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.869 -1.959 6.794 1.00 0.00 H new ATOM 440 N LEU A 26 0.646 0.576 5.441 1.00 0.00 N ATOM 441 CA LEU A 26 -0.312 1.547 4.936 1.00 0.00 C ATOM 442 C LEU A 26 -0.704 2.535 6.023 1.00 0.00 C ATOM 443 O LEU A 26 -1.001 3.687 5.743 1.00 0.00 O ATOM 444 CB LEU A 26 -1.573 0.847 4.409 1.00 0.00 C ATOM 445 CG LEU A 26 -1.440 0.119 3.063 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.415 -0.985 3.131 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.790 -0.423 2.623 1.00 0.00 C ATOM 0 H LEU A 26 0.321 -0.390 5.389 1.00 0.00 H new ATOM 0 HA LEU A 26 0.166 2.086 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.900 0.125 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.364 1.592 4.318 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.094 0.840 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.347 -1.479 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.556 -0.564 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.712 -1.711 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.682 -0.937 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.163 -1.123 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.495 0.401 2.514 1.00 0.00 H new ATOM 459 N ASP A 27 -0.727 2.059 7.254 1.00 0.00 N ATOM 460 CA ASP A 27 -1.029 2.903 8.410 1.00 0.00 C ATOM 461 C ASP A 27 -0.006 4.026 8.547 1.00 0.00 C ATOM 462 O ASP A 27 -0.367 5.193 8.690 1.00 0.00 O ATOM 463 CB ASP A 27 -1.052 2.057 9.686 1.00 0.00 C ATOM 464 CG ASP A 27 -1.377 2.862 10.925 1.00 0.00 C ATOM 465 OD1 ASP A 27 -2.572 2.969 11.273 1.00 0.00 O ATOM 466 OD2 ASP A 27 -0.439 3.380 11.568 1.00 0.00 O ATOM 0 H ASP A 27 -0.539 1.084 7.487 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.011 3.351 8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.788 1.261 9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.081 1.578 9.815 1.00 0.00 H new ATOM 471 N LYS A 28 1.271 3.667 8.491 1.00 0.00 N ATOM 472 CA LYS A 28 2.343 4.654 8.554 1.00 0.00 C ATOM 473 C LYS A 28 2.327 5.528 7.314 1.00 0.00 C ATOM 474 O LYS A 28 2.326 6.757 7.397 1.00 0.00 O ATOM 475 CB LYS A 28 3.703 3.968 8.638 1.00 0.00 C ATOM 476 CG LYS A 28 3.868 3.042 9.821 1.00 0.00 C ATOM 477 CD LYS A 28 5.098 2.180 9.650 1.00 0.00 C ATOM 478 CE LYS A 28 5.193 1.133 10.734 1.00 0.00 C ATOM 479 NZ LYS A 28 3.866 0.568 11.089 1.00 0.00 N ATOM 0 H LYS A 28 1.589 2.702 8.402 1.00 0.00 H new ATOM 0 HA LYS A 28 2.182 5.262 9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.866 3.399 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.479 4.732 8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.950 3.625 10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.985 2.411 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.071 1.694 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.989 2.807 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.851 0.329 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.648 1.572 11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.991 -0.378 11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.398 1.188 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.278 0.498 10.234 1.00 0.00 H new ATOM 493 N PHE A 29 2.290 4.870 6.163 1.00 0.00 N ATOM 494 CA PHE A 29 2.410 5.548 4.883 1.00 0.00 C ATOM 495 C PHE A 29 1.065 6.107 4.443 1.00 0.00 C ATOM 496 O PHE A 29 0.891 6.503 3.291 1.00 0.00 O ATOM 497 CB PHE A 29 2.965 4.593 3.823 1.00 0.00 C ATOM 498 CG PHE A 29 4.164 3.808 4.285 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.083 4.357 5.164 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.362 2.514 3.844 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.172 3.628 5.594 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.452 1.779 4.267 1.00 0.00 C ATOM 503 CZ PHE A 29 6.358 2.336 5.145 1.00 0.00 C ATOM 0 H PHE A 29 2.177 3.859 6.092 1.00 0.00 H new ATOM 0 HA PHE A 29 3.105 6.380 4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.180 3.898 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.236 5.166 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.945 5.368 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.654 2.071 3.159 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.879 4.068 6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.595 0.769 3.911 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.210 1.763 5.480 1.00 0.00 H new ATOM 513 N GLN A 30 0.116 6.141 5.369 1.00 0.00 N ATOM 514 CA GLN A 30 -1.142 6.789 5.144 1.00 0.00 C ATOM 515 C GLN A 30 -0.900 8.265 4.891 1.00 0.00 C ATOM 516 O GLN A 30 -1.558 8.882 4.058 1.00 0.00 O ATOM 517 CB GLN A 30 -2.042 6.576 6.356 1.00 0.00 C ATOM 518 CG GLN A 30 -3.231 7.473 6.363 1.00 0.00 C ATOM 519 CD GLN A 30 -4.312 7.047 7.335 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.043 6.422 8.361 1.00 0.00 O ATOM 521 NE2 GLN A 30 -5.547 7.397 7.016 1.00 0.00 N ATOM 0 H GLN A 30 0.209 5.717 6.292 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.639 6.365 4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.376 5.539 6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.463 6.742 7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.910 8.485 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.653 7.510 5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.724 7.915 6.155 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.322 7.149 7.631 1.00 0.00 H new ATOM 530 N ASP A 31 0.083 8.806 5.597 1.00 0.00 N ATOM 531 CA ASP A 31 0.515 10.177 5.387 1.00 0.00 C ATOM 532 C ASP A 31 1.039 10.350 3.966 1.00 0.00 C ATOM 533 O ASP A 31 0.824 11.383 3.344 1.00 0.00 O ATOM 534 CB ASP A 31 1.597 10.556 6.402 1.00 0.00 C ATOM 535 CG ASP A 31 2.249 11.890 6.092 1.00 0.00 C ATOM 536 OD1 ASP A 31 1.625 12.940 6.354 1.00 0.00 O ATOM 537 OD2 ASP A 31 3.393 11.893 5.594 1.00 0.00 O ATOM 0 H ASP A 31 0.598 8.311 6.325 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.340 10.838 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.157 10.594 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.361 9.778 6.420 1.00 0.00 H new ATOM 542 N ASP A 32 1.685 9.312 3.442 1.00 0.00 N ATOM 543 CA ASP A 32 2.273 9.373 2.110 1.00 0.00 C ATOM 544 C ASP A 32 1.183 9.299 1.052 1.00 0.00 C ATOM 545 O ASP A 32 1.184 10.070 0.103 1.00 0.00 O ATOM 546 CB ASP A 32 3.280 8.241 1.900 1.00 0.00 C ATOM 547 CG ASP A 32 4.160 8.463 0.683 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.033 7.714 -0.301 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.992 9.396 0.713 1.00 0.00 O ATOM 0 H ASP A 32 1.814 8.420 3.920 1.00 0.00 H new ATOM 0 HA ASP A 32 2.801 10.322 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.908 8.149 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.744 7.298 1.790 1.00 0.00 H new ATOM 554 N ILE A 33 0.237 8.387 1.236 1.00 0.00 N ATOM 555 CA ILE A 33 -0.884 8.238 0.307 1.00 0.00 C ATOM 556 C ILE A 33 -1.821 9.440 0.392 1.00 0.00 C ATOM 557 O ILE A 33 -2.500 9.792 -0.570 1.00 0.00 O ATOM 558 CB ILE A 33 -1.668 6.940 0.597 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.735 5.748 0.447 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.855 6.800 -0.347 1.00 0.00 C ATOM 561 CD1 ILE A 33 -1.251 4.473 1.074 1.00 0.00 C ATOM 0 H ILE A 33 0.221 7.736 2.021 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.475 8.182 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.052 6.979 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.557 5.572 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.227 5.996 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.391 5.878 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.525 7.650 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.499 6.772 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.526 3.673 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.401 4.628 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.198 4.197 0.611 1.00 0.00 H new ATOM 573 N LYS A 34 -1.837 10.079 1.543 1.00 0.00 N ATOM 574 CA LYS A 34 -2.658 11.258 1.751 1.00 0.00 C ATOM 575 C LYS A 34 -1.919 12.475 1.220 1.00 0.00 C ATOM 576 O LYS A 34 -2.520 13.452 0.780 1.00 0.00 O ATOM 577 CB LYS A 34 -2.979 11.389 3.236 1.00 0.00 C ATOM 578 CG LYS A 34 -3.995 12.465 3.585 1.00 0.00 C ATOM 579 CD LYS A 34 -4.146 12.597 5.095 1.00 0.00 C ATOM 580 CE LYS A 34 -5.201 13.623 5.484 1.00 0.00 C ATOM 581 NZ LYS A 34 -6.581 13.161 5.174 1.00 0.00 N ATOM 0 H LYS A 34 -1.287 9.801 2.356 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.601 11.174 1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.350 10.430 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.054 11.596 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.681 13.419 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.959 12.220 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.412 11.628 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.188 12.882 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.122 13.835 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.007 14.558 4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.267 13.863 5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.687 13.048 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.755 12.249 5.642 1.00 0.00 H new ATOM 595 N ASP A 35 -0.602 12.388 1.260 1.00 0.00 N ATOM 596 CA ASP A 35 0.256 13.365 0.608 1.00 0.00 C ATOM 597 C ASP A 35 0.137 13.232 -0.905 1.00 0.00 C ATOM 598 O ASP A 35 0.038 14.226 -1.624 1.00 0.00 O ATOM 599 CB ASP A 35 1.709 13.167 1.037 1.00 0.00 C ATOM 600 CG ASP A 35 2.660 14.151 0.387 1.00 0.00 C ATOM 601 OD1 ASP A 35 2.552 15.365 0.667 1.00 0.00 O ATOM 602 OD2 ASP A 35 3.538 13.715 -0.387 1.00 0.00 O ATOM 0 H ASP A 35 -0.098 11.644 1.742 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.062 14.364 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.778 13.265 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.020 12.152 0.789 1.00 0.00 H new ATOM 607 N LYS A 36 0.134 11.989 -1.377 1.00 0.00 N ATOM 608 CA LYS A 36 -0.014 11.706 -2.795 1.00 0.00 C ATOM 609 C LYS A 36 -1.411 12.071 -3.290 1.00 0.00 C ATOM 610 O LYS A 36 -1.568 12.729 -4.318 1.00 0.00 O ATOM 611 CB LYS A 36 0.258 10.235 -3.099 1.00 0.00 C ATOM 612 CG LYS A 36 1.673 9.771 -2.816 1.00 0.00 C ATOM 613 CD LYS A 36 1.906 8.421 -3.430 1.00 0.00 C ATOM 614 CE LYS A 36 3.323 7.931 -3.191 1.00 0.00 C ATOM 615 NZ LYS A 36 4.334 8.916 -3.654 1.00 0.00 N ATOM 0 H LYS A 36 0.233 11.159 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 36 0.721 12.319 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.431 9.626 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.035 10.050 -4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.387 10.490 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.840 9.723 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.198 7.705 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.714 8.471 -4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.466 7.736 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.473 6.985 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.154 8.412 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.916 9.525 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.641 9.501 -2.851 1.00 0.00 H new ATOM 629 N TYR A 37 -2.421 11.635 -2.551 1.00 0.00 N ATOM 630 CA TYR A 37 -3.808 11.790 -2.973 1.00 0.00 C ATOM 631 C TYR A 37 -4.640 12.432 -1.875 1.00 0.00 C ATOM 632 O TYR A 37 -5.253 13.482 -2.064 1.00 0.00 O ATOM 633 CB TYR A 37 -4.410 10.420 -3.301 1.00 0.00 C ATOM 634 CG TYR A 37 -3.574 9.595 -4.244 1.00 0.00 C ATOM 635 CD1 TYR A 37 -3.714 9.726 -5.616 1.00 0.00 C ATOM 636 CD2 TYR A 37 -2.640 8.688 -3.755 1.00 0.00 C ATOM 637 CE1 TYR A 37 -2.945 8.980 -6.481 1.00 0.00 C ATOM 638 CE2 TYR A 37 -1.865 7.934 -4.609 1.00 0.00 C ATOM 639 CZ TYR A 37 -2.024 8.087 -5.979 1.00 0.00 C ATOM 640 OH TYR A 37 -1.260 7.355 -6.852 1.00 0.00 O ATOM 0 H TYR A 37 -2.306 11.169 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.820 12.430 -3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.549 9.864 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.398 10.564 -3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.437 10.423 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.520 8.573 -2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.063 9.095 -7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.143 7.233 -4.217 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.122 7.868 -7.675 1.00 0.00 H new ATOM 650 N GLY A 38 -4.626 11.794 -0.721 1.00 0.00 N ATOM 651 CA GLY A 38 -5.528 12.165 0.353 1.00 0.00 C ATOM 652 C GLY A 38 -6.464 11.022 0.688 1.00 0.00 C ATOM 653 O GLY A 38 -7.681 11.130 0.534 1.00 0.00 O ATOM 0 H GLY A 38 -4.001 11.018 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.954 12.442 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.107 13.042 0.062 1.00 0.00 H new ATOM 657 N VAL A 39 -5.887 9.914 1.133 1.00 0.00 N ATOM 658 CA VAL A 39 -6.632 8.686 1.329 1.00 0.00 C ATOM 659 C VAL A 39 -6.483 8.174 2.759 1.00 0.00 C ATOM 660 O VAL A 39 -5.496 8.467 3.434 1.00 0.00 O ATOM 661 CB VAL A 39 -6.117 7.606 0.359 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.924 6.323 0.464 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.125 8.117 -1.074 1.00 0.00 C ATOM 0 H VAL A 39 -4.896 9.845 1.366 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.684 8.897 1.138 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.090 7.379 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.529 5.587 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.855 5.932 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.967 6.529 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.757 7.337 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.142 8.387 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.482 8.993 -1.151 1.00 0.00 H new ATOM 673 N ASP A 40 -7.469 7.414 3.207 1.00 0.00 N ATOM 674 CA ASP A 40 -7.398 6.741 4.495 1.00 0.00 C ATOM 675 C ASP A 40 -7.140 5.258 4.281 1.00 0.00 C ATOM 676 O ASP A 40 -7.893 4.580 3.583 1.00 0.00 O ATOM 677 CB ASP A 40 -8.688 6.935 5.288 1.00 0.00 C ATOM 678 CG ASP A 40 -8.600 6.348 6.682 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.237 7.086 7.622 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.883 5.148 6.845 1.00 0.00 O ATOM 0 H ASP A 40 -8.334 7.247 2.694 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.579 7.177 5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.912 7.999 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.515 6.470 4.752 1.00 0.00 H new ATOM 685 N THR A 41 -6.072 4.756 4.875 1.00 0.00 N ATOM 686 CA THR A 41 -5.662 3.377 4.670 1.00 0.00 C ATOM 687 C THR A 41 -6.338 2.436 5.656 1.00 0.00 C ATOM 688 O THR A 41 -6.347 1.218 5.467 1.00 0.00 O ATOM 689 CB THR A 41 -4.144 3.250 4.805 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.719 3.878 6.020 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.447 3.898 3.621 1.00 0.00 C ATOM 0 H THR A 41 -5.470 5.285 5.506 1.00 0.00 H new ATOM 0 HA THR A 41 -5.967 3.093 3.663 1.00 0.00 H new ATOM 0 HB THR A 41 -3.880 2.193 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.740 3.881 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.368 3.798 3.735 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.762 3.407 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.711 4.955 3.577 1.00 0.00 H new ATOM 699 N LYS A 42 -6.922 3.009 6.696 1.00 0.00 N ATOM 700 CA LYS A 42 -7.604 2.238 7.715 1.00 0.00 C ATOM 701 C LYS A 42 -8.991 1.846 7.228 1.00 0.00 C ATOM 702 O LYS A 42 -9.701 1.078 7.875 1.00 0.00 O ATOM 703 CB LYS A 42 -7.694 3.063 8.995 1.00 0.00 C ATOM 704 CG LYS A 42 -6.337 3.388 9.598 1.00 0.00 C ATOM 705 CD LYS A 42 -6.446 4.393 10.736 1.00 0.00 C ATOM 706 CE LYS A 42 -6.897 5.754 10.231 1.00 0.00 C ATOM 707 NZ LYS A 42 -6.952 6.776 11.310 1.00 0.00 N ATOM 0 H LYS A 42 -6.935 4.017 6.855 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.045 1.326 7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.222 3.993 8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.289 2.519 9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.875 2.472 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.682 3.787 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.153 4.027 11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.481 4.489 11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.215 6.092 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.882 5.660 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.265 7.684 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.622 6.470 12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.007 6.889 11.730 1.00 0.00 H new ATOM 721 N ASP A 43 -9.363 2.388 6.077 1.00 0.00 N ATOM 722 CA ASP A 43 -10.636 2.072 5.447 1.00 0.00 C ATOM 723 C ASP A 43 -10.421 1.046 4.343 1.00 0.00 C ATOM 724 O ASP A 43 -11.338 0.319 3.956 1.00 0.00 O ATOM 725 CB ASP A 43 -11.272 3.343 4.876 1.00 0.00 C ATOM 726 CG ASP A 43 -12.702 3.133 4.417 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.557 2.782 5.262 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.987 3.349 3.220 1.00 0.00 O ATOM 0 H ASP A 43 -8.794 3.056 5.556 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.311 1.653 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.250 4.126 5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.674 3.696 4.036 1.00 0.00 H new ATOM 733 N LEU A 44 -9.187 0.983 3.862 1.00 0.00 N ATOM 734 CA LEU A 44 -8.815 0.059 2.801 1.00 0.00 C ATOM 735 C LEU A 44 -8.733 -1.364 3.333 1.00 0.00 C ATOM 736 O LEU A 44 -8.004 -1.639 4.289 1.00 0.00 O ATOM 737 CB LEU A 44 -7.464 0.452 2.200 1.00 0.00 C ATOM 738 CG LEU A 44 -7.369 1.877 1.652 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.950 2.165 1.181 1.00 0.00 C ATOM 740 CD2 LEU A 44 -8.360 2.082 0.517 1.00 0.00 C ATOM 0 H LEU A 44 -8.420 1.568 4.194 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.582 0.108 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.697 0.325 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.230 -0.244 1.394 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.619 2.574 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.895 3.182 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.260 2.058 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.678 1.461 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.277 3.102 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.142 1.380 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.373 1.912 0.883 1.00 0.00 H new ATOM 752 N LYS A 45 -9.476 -2.266 2.714 1.00 0.00 N ATOM 753 CA LYS A 45 -9.445 -3.667 3.088 1.00 0.00 C ATOM 754 C LYS A 45 -8.283 -4.354 2.395 1.00 0.00 C ATOM 755 O LYS A 45 -8.276 -4.489 1.174 1.00 0.00 O ATOM 756 CB LYS A 45 -10.754 -4.346 2.697 1.00 0.00 C ATOM 757 CG LYS A 45 -10.765 -5.841 2.956 1.00 0.00 C ATOM 758 CD LYS A 45 -11.997 -6.493 2.354 1.00 0.00 C ATOM 759 CE LYS A 45 -11.997 -7.998 2.559 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.154 -8.644 1.887 1.00 0.00 N ATOM 0 H LYS A 45 -10.111 -2.050 1.946 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.319 -3.743 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.572 -3.884 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.944 -4.168 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.868 -6.293 2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.740 -6.027 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.892 -6.065 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.041 -6.272 1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.069 -8.418 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.025 -8.220 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.121 -9.671 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.039 -8.261 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.113 -8.453 0.865 1.00 0.00 H new ATOM 774 N ILE A 46 -7.298 -4.779 3.163 1.00 0.00 N ATOM 775 CA ILE A 46 -6.120 -5.384 2.579 1.00 0.00 C ATOM 776 C ILE A 46 -6.374 -6.836 2.211 1.00 0.00 C ATOM 777 O ILE A 46 -6.641 -7.683 3.065 1.00 0.00 O ATOM 778 CB ILE A 46 -4.893 -5.262 3.496 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.573 -3.777 3.710 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.707 -6.000 2.884 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.307 -3.518 4.486 1.00 0.00 C ATOM 0 H ILE A 46 -7.290 -4.717 4.181 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.900 -4.832 1.665 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.105 -5.718 4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.494 -3.291 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.407 -3.310 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.842 -5.908 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.958 -7.053 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.471 -5.567 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.158 -2.443 4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.387 -3.971 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.460 -3.952 3.955 1.00 0.00 H new ATOM 793 N LEU A 47 -6.290 -7.096 0.920 1.00 0.00 N ATOM 794 CA LEU A 47 -6.564 -8.402 0.359 1.00 0.00 C ATOM 795 C LEU A 47 -5.320 -9.277 0.420 1.00 0.00 C ATOM 796 O LEU A 47 -5.363 -10.403 0.907 1.00 0.00 O ATOM 797 CB LEU A 47 -6.992 -8.248 -1.103 1.00 0.00 C ATOM 798 CG LEU A 47 -7.962 -7.100 -1.387 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.260 -7.013 -2.877 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.250 -7.275 -0.598 1.00 0.00 C ATOM 0 H LEU A 47 -6.027 -6.397 0.225 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.361 -8.871 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.099 -8.105 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.454 -9.180 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.491 -6.169 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.952 -6.191 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.333 -6.838 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.709 -7.948 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.925 -6.447 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.725 -8.214 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.024 -7.289 0.468 1.00 0.00 H new ATOM 812 N LYS A 48 -4.212 -8.738 -0.074 1.00 0.00 N ATOM 813 CA LYS A 48 -2.979 -9.495 -0.191 1.00 0.00 C ATOM 814 C LYS A 48 -1.769 -8.598 0.037 1.00 0.00 C ATOM 815 O LYS A 48 -1.486 -7.708 -0.767 1.00 0.00 O ATOM 816 CB LYS A 48 -2.881 -10.147 -1.576 1.00 0.00 C ATOM 817 CG LYS A 48 -1.705 -11.103 -1.710 1.00 0.00 C ATOM 818 CD LYS A 48 -1.723 -11.863 -3.032 1.00 0.00 C ATOM 819 CE LYS A 48 -1.430 -10.956 -4.221 1.00 0.00 C ATOM 820 NZ LYS A 48 -1.399 -11.708 -5.506 1.00 0.00 N ATOM 0 H LYS A 48 -4.146 -7.774 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.989 -10.273 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.805 -10.688 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.794 -9.367 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.773 -10.543 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.722 -11.815 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.985 -12.665 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.698 -12.332 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.189 -10.176 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.472 -10.459 -4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.197 -11.052 -6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.658 -12.436 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.321 -12.162 -5.665 1.00 0.00 H new ATOM 834 N THR A 49 -1.083 -8.816 1.146 1.00 0.00 N ATOM 835 CA THR A 49 0.186 -8.161 1.403 1.00 0.00 C ATOM 836 C THR A 49 1.315 -9.088 0.986 1.00 0.00 C ATOM 837 O THR A 49 1.334 -10.242 1.380 1.00 0.00 O ATOM 838 CB THR A 49 0.344 -7.819 2.897 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.769 -7.033 3.338 1.00 0.00 O ATOM 840 CG2 THR A 49 1.640 -7.061 3.152 1.00 0.00 C ATOM 0 H THR A 49 -1.388 -9.447 1.887 1.00 0.00 H new ATOM 0 HA THR A 49 0.218 -7.234 0.831 1.00 0.00 H new ATOM 0 HB THR A 49 0.377 -8.753 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.935 -6.312 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.725 -6.833 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.487 -7.674 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.637 -6.133 2.581 1.00 0.00 H new ATOM 848 N SER A 50 2.228 -8.606 0.168 1.00 0.00 N ATOM 849 CA SER A 50 3.364 -9.413 -0.249 1.00 0.00 C ATOM 850 C SER A 50 4.580 -8.522 -0.436 1.00 0.00 C ATOM 851 O SER A 50 4.444 -7.305 -0.518 1.00 0.00 O ATOM 852 CB SER A 50 3.044 -10.137 -1.563 1.00 0.00 C ATOM 853 OG SER A 50 1.749 -10.717 -1.535 1.00 0.00 O ATOM 0 H SER A 50 2.209 -7.664 -0.222 1.00 0.00 H new ATOM 0 HA SER A 50 3.574 -10.156 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.111 -9.434 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.788 -10.913 -1.742 1.00 0.00 H new ATOM 0 HG SER A 50 1.828 -11.693 -1.492 1.00 0.00 H new ATOM 859 N GLU A 51 5.763 -9.110 -0.486 1.00 0.00 N ATOM 860 CA GLU A 51 6.951 -8.350 -0.823 1.00 0.00 C ATOM 861 C GLU A 51 7.761 -9.082 -1.872 1.00 0.00 C ATOM 862 O GLU A 51 7.581 -10.281 -2.092 1.00 0.00 O ATOM 863 CB GLU A 51 7.821 -8.048 0.406 1.00 0.00 C ATOM 864 CG GLU A 51 8.568 -9.242 0.984 1.00 0.00 C ATOM 865 CD GLU A 51 9.517 -8.836 2.100 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.609 -8.297 1.793 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.174 -9.040 3.282 1.00 0.00 O ATOM 0 H GLU A 51 5.925 -10.100 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 51 6.618 -7.393 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.548 -7.282 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.186 -7.626 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.850 -9.968 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.131 -9.735 0.192 1.00 0.00 H new ATOM 874 N ASP A 52 8.631 -8.344 -2.522 1.00 0.00 N ATOM 875 CA ASP A 52 9.514 -8.892 -3.527 1.00 0.00 C ATOM 876 C ASP A 52 10.881 -8.238 -3.367 1.00 0.00 C ATOM 877 O ASP A 52 11.200 -7.715 -2.292 1.00 0.00 O ATOM 878 CB ASP A 52 8.940 -8.633 -4.928 1.00 0.00 C ATOM 879 CG ASP A 52 9.514 -9.557 -5.983 1.00 0.00 C ATOM 880 OD1 ASP A 52 8.988 -10.678 -6.144 1.00 0.00 O ATOM 881 OD2 ASP A 52 10.495 -9.171 -6.654 1.00 0.00 O ATOM 0 H ASP A 52 8.747 -7.342 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 52 9.610 -9.971 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.857 -8.752 -4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.139 -7.599 -5.211 1.00 0.00 H new ATOM 886 N LYS A 53 11.675 -8.249 -4.416 1.00 0.00 N ATOM 887 CA LYS A 53 12.984 -7.631 -4.385 1.00 0.00 C ATOM 888 C LYS A 53 12.839 -6.111 -4.381 1.00 0.00 C ATOM 889 O LYS A 53 12.516 -5.515 -5.403 1.00 0.00 O ATOM 890 CB LYS A 53 13.796 -8.091 -5.584 1.00 0.00 C ATOM 891 CG LYS A 53 13.875 -9.599 -5.700 1.00 0.00 C ATOM 892 CD LYS A 53 14.912 -10.015 -6.713 1.00 0.00 C ATOM 893 CE LYS A 53 14.925 -11.521 -6.914 1.00 0.00 C ATOM 894 NZ LYS A 53 13.610 -12.032 -7.384 1.00 0.00 N ATOM 0 H LYS A 53 11.435 -8.683 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 53 13.507 -7.930 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.353 -7.685 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.805 -7.684 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.119 -10.029 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.902 -9.996 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.711 -9.522 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.897 -9.683 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.696 -11.783 -7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.190 -12.010 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.758 -12.719 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.115 -12.495 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.035 -11.240 -7.736 1.00 0.00 H new ATOM 908 N ARG A 54 13.030 -5.506 -3.207 1.00 0.00 N ATOM 909 CA ARG A 54 12.938 -4.049 -3.021 1.00 0.00 C ATOM 910 C ARG A 54 11.494 -3.541 -3.041 1.00 0.00 C ATOM 911 O ARG A 54 11.230 -2.411 -2.638 1.00 0.00 O ATOM 912 CB ARG A 54 13.760 -3.291 -4.070 1.00 0.00 C ATOM 913 CG ARG A 54 15.255 -3.528 -3.967 1.00 0.00 C ATOM 914 CD ARG A 54 16.023 -2.719 -4.995 1.00 0.00 C ATOM 915 NE ARG A 54 17.463 -2.910 -4.858 1.00 0.00 N ATOM 916 CZ ARG A 54 18.336 -1.919 -4.688 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.933 -0.655 -4.746 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.617 -2.199 -4.488 1.00 0.00 N ATOM 0 H ARG A 54 13.254 -6.013 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 54 13.352 -3.852 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.423 -3.585 -5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.563 -2.224 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.597 -3.264 -2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.466 -4.588 -4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.710 -3.011 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.783 -1.662 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 54 17.824 -3.863 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.951 -0.440 -4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.605 0.101 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.929 -3.170 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.290 -1.444 -4.357 1.00 0.00 H new ATOM 932 N PHE A 55 10.558 -4.358 -3.499 1.00 0.00 N ATOM 933 CA PHE A 55 9.174 -3.907 -3.630 1.00 0.00 C ATOM 934 C PHE A 55 8.256 -4.573 -2.606 1.00 0.00 C ATOM 935 O PHE A 55 8.508 -5.693 -2.171 1.00 0.00 O ATOM 936 CB PHE A 55 8.652 -4.205 -5.040 1.00 0.00 C ATOM 937 CG PHE A 55 9.640 -3.904 -6.132 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.040 -4.900 -7.008 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.178 -2.635 -6.277 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.956 -4.637 -8.007 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.094 -2.367 -7.275 1.00 0.00 C ATOM 942 CZ PHE A 55 11.484 -3.369 -8.141 1.00 0.00 C ATOM 0 H PHE A 55 10.723 -5.323 -3.783 1.00 0.00 H new ATOM 0 HA PHE A 55 9.168 -2.833 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.371 -5.256 -5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.747 -3.623 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.630 -5.894 -6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.878 -1.847 -5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.259 -5.423 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.505 -1.374 -7.378 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.201 -3.161 -8.922 1.00 0.00 H new ATOM 952 N TYR A 56 7.218 -3.852 -2.201 1.00 0.00 N ATOM 953 CA TYR A 56 6.106 -4.433 -1.456 1.00 0.00 C ATOM 954 C TYR A 56 4.836 -4.310 -2.279 1.00 0.00 C ATOM 955 O TYR A 56 4.699 -3.390 -3.079 1.00 0.00 O ATOM 956 CB TYR A 56 5.902 -3.745 -0.099 1.00 0.00 C ATOM 957 CG TYR A 56 6.502 -4.492 1.070 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.756 -4.165 1.559 1.00 0.00 C ATOM 959 CD2 TYR A 56 5.813 -5.535 1.678 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.311 -4.854 2.619 1.00 0.00 C ATOM 961 CE2 TYR A 56 6.359 -6.228 2.742 1.00 0.00 C ATOM 962 CZ TYR A 56 7.610 -5.885 3.207 1.00 0.00 C ATOM 963 OH TYR A 56 8.171 -6.584 4.252 1.00 0.00 O ATOM 0 H TYR A 56 7.122 -2.852 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 56 6.340 -5.480 -1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.338 -2.747 -0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.833 -3.619 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.309 -3.357 1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.834 -5.809 1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.291 -4.586 2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.809 -7.033 3.206 1.00 0.00 H new ATOM 0 HH TYR A 56 8.449 -7.471 3.941 1.00 0.00 H new ATOM 973 N TYR A 57 3.925 -5.242 -2.092 1.00 0.00 N ATOM 974 CA TYR A 57 2.677 -5.256 -2.834 1.00 0.00 C ATOM 975 C TYR A 57 1.496 -5.376 -1.882 1.00 0.00 C ATOM 976 O TYR A 57 1.233 -6.454 -1.354 1.00 0.00 O ATOM 977 CB TYR A 57 2.652 -6.432 -3.817 1.00 0.00 C ATOM 978 CG TYR A 57 3.703 -6.366 -4.900 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.442 -5.725 -6.102 1.00 0.00 C ATOM 980 CD2 TYR A 57 4.953 -6.951 -4.728 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.390 -5.667 -7.101 1.00 0.00 C ATOM 982 CE2 TYR A 57 5.909 -6.894 -5.723 1.00 0.00 C ATOM 983 CZ TYR A 57 5.622 -6.250 -6.907 1.00 0.00 C ATOM 984 OH TYR A 57 6.568 -6.190 -7.903 1.00 0.00 O ATOM 0 H TYR A 57 4.025 -6.008 -1.426 1.00 0.00 H new ATOM 0 HA TYR A 57 2.602 -4.320 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.782 -7.359 -3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.669 -6.477 -4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.478 -5.263 -6.258 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.180 -7.458 -3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.167 -5.166 -8.032 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.876 -7.351 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 57 7.383 -6.648 -7.608 1.00 0.00 H new ATOM 994 N VAL A 58 0.799 -4.277 -1.643 1.00 0.00 N ATOM 995 CA VAL A 58 -0.385 -4.323 -0.800 1.00 0.00 C ATOM 996 C VAL A 58 -1.649 -4.202 -1.640 1.00 0.00 C ATOM 997 O VAL A 58 -2.085 -3.103 -1.973 1.00 0.00 O ATOM 998 CB VAL A 58 -0.391 -3.227 0.285 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.501 -3.505 1.283 1.00 0.00 C ATOM 1000 CG2 VAL A 58 0.956 -3.143 0.979 1.00 0.00 C ATOM 0 H VAL A 58 1.028 -3.355 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.362 -5.290 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.576 -2.262 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.504 -2.730 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.461 -3.509 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.336 -4.476 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.925 -2.363 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.183 -4.100 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.728 -2.906 0.247 1.00 0.00 H new ATOM 1010 N SER A 59 -2.218 -5.340 -1.994 1.00 0.00 N ATOM 1011 CA SER A 59 -3.442 -5.374 -2.771 1.00 0.00 C ATOM 1012 C SER A 59 -4.622 -5.127 -1.843 1.00 0.00 C ATOM 1013 O SER A 59 -4.832 -5.888 -0.905 1.00 0.00 O ATOM 1014 CB SER A 59 -3.573 -6.737 -3.448 1.00 0.00 C ATOM 1015 OG SER A 59 -4.216 -6.637 -4.705 1.00 0.00 O ATOM 0 H SER A 59 -1.848 -6.259 -1.753 1.00 0.00 H new ATOM 0 HA SER A 59 -3.423 -4.601 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.583 -7.175 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.137 -7.411 -2.803 1.00 0.00 H new ATOM 0 HG SER A 59 -4.382 -7.535 -5.060 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.368 -4.060 -2.082 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.465 -3.682 -1.199 1.00 0.00 C ATOM 1023 C VAL A 60 -7.743 -3.417 -1.975 1.00 0.00 C ATOM 1024 O VAL A 60 -7.715 -3.097 -3.168 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.124 -2.423 -0.372 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.843 -2.634 0.407 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -6.017 -1.198 -1.267 1.00 0.00 C ATOM 0 H VAL A 60 -5.235 -3.439 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.617 -4.527 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.933 -2.250 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.617 -1.738 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.964 -3.480 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.025 -2.836 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.776 -0.325 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.231 -1.355 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.967 -1.035 -1.776 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.859 -3.564 -1.287 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.146 -3.183 -1.826 1.00 0.00 C ATOM 1039 C ASP A 61 -10.372 -1.710 -1.529 1.00 0.00 C ATOM 1040 O ASP A 61 -10.642 -1.333 -0.387 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.262 -4.036 -1.214 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.612 -3.770 -1.846 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.569 -3.452 -1.110 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.726 -3.887 -3.083 1.00 0.00 O ATOM 0 H ASP A 61 -8.897 -3.949 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.160 -3.349 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.013 -5.091 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.321 -3.837 -0.144 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.204 -0.881 -2.551 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.274 0.569 -2.395 1.00 0.00 C ATOM 1051 C ALA A 62 -11.671 1.029 -1.978 1.00 0.00 C ATOM 1052 O ALA A 62 -11.824 2.076 -1.350 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.849 1.255 -3.686 1.00 0.00 C ATOM 0 H ALA A 62 -10.017 -1.190 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.587 0.852 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.905 2.336 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.825 0.971 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.512 0.950 -4.495 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.681 0.252 -2.337 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.046 0.590 -1.981 1.00 0.00 C ATOM 1061 C GLY A 63 -14.876 0.925 -3.200 1.00 0.00 C ATOM 1062 O GLY A 63 -16.099 0.804 -3.189 1.00 0.00 O ATOM 0 H GLY A 63 -12.581 -0.611 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.501 -0.246 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.044 1.439 -1.298 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.198 1.340 -4.257 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.856 1.692 -5.511 1.00 0.00 C ATOM 1068 C ASP A 64 -15.151 0.435 -6.322 1.00 0.00 C ATOM 1069 O ASP A 64 -16.052 0.409 -7.159 1.00 0.00 O ATOM 1070 CB ASP A 64 -13.955 2.641 -6.312 1.00 0.00 C ATOM 1071 CG ASP A 64 -14.546 3.040 -7.649 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -14.155 2.450 -8.678 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -15.383 3.963 -7.679 1.00 0.00 O ATOM 0 H ASP A 64 -13.183 1.443 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.800 2.192 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.769 3.539 -5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.990 2.162 -6.477 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.398 -0.614 -6.035 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.480 -1.838 -6.800 1.00 0.00 C ATOM 1080 C GLY A 65 -13.107 -2.241 -7.280 1.00 0.00 C ATOM 1081 O GLY A 65 -12.788 -3.425 -7.386 1.00 0.00 O ATOM 0 H GLY A 65 -13.721 -0.638 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.907 -2.632 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.146 -1.700 -7.652 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.293 -1.228 -7.539 1.00 0.00 N ATOM 1086 CA GLU A 66 -10.914 -1.407 -7.969 1.00 0.00 C ATOM 1087 C GLU A 66 -10.076 -2.110 -6.908 1.00 0.00 C ATOM 1088 O GLU A 66 -10.163 -1.797 -5.718 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.289 -0.051 -8.307 1.00 0.00 C ATOM 1090 CG GLU A 66 -10.717 1.064 -7.370 1.00 0.00 C ATOM 1091 CD GLU A 66 -10.228 2.425 -7.817 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -10.508 2.810 -8.973 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -9.586 3.126 -7.014 1.00 0.00 O ATOM 0 H GLU A 66 -12.573 -0.251 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.926 -2.038 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.203 -0.143 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.558 0.220 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.805 1.078 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.338 0.857 -6.369 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.268 -3.059 -7.346 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.351 -3.741 -6.455 1.00 0.00 C ATOM 1102 C LYS A 67 -6.963 -3.147 -6.625 1.00 0.00 C ATOM 1103 O LYS A 67 -6.206 -3.552 -7.508 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.322 -5.244 -6.735 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.677 -5.920 -6.590 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.636 -7.367 -7.060 1.00 0.00 C ATOM 1107 CE LYS A 67 -8.812 -8.253 -6.139 1.00 0.00 C ATOM 1108 NZ LYS A 67 -8.631 -9.616 -6.706 1.00 0.00 N ATOM 0 H LYS A 67 -9.229 -3.374 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.689 -3.604 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.950 -5.409 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.615 -5.718 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.992 -5.885 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.421 -5.371 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.653 -7.756 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.220 -7.407 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.837 -7.796 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.302 -8.325 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.065 -10.192 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.561 -10.061 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.141 -9.549 -7.621 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.642 -2.170 -5.801 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.399 -1.433 -5.947 1.00 0.00 C ATOM 1124 C CYS A 68 -4.293 -2.100 -5.170 1.00 0.00 C ATOM 1125 O CYS A 68 -4.461 -2.455 -4.008 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.571 0.010 -5.482 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.826 0.944 -6.415 1.00 0.00 S ATOM 0 H CYS A 68 -7.225 -1.866 -5.021 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.130 -1.428 -7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.843 0.011 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.614 0.524 -5.565 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.162 -2.271 -5.817 1.00 0.00 N ATOM 1133 CA LYS A 69 -2.039 -2.919 -5.195 1.00 0.00 C ATOM 1134 C LYS A 69 -0.959 -1.894 -4.920 1.00 0.00 C ATOM 1135 O LYS A 69 -0.162 -1.570 -5.802 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.506 -4.024 -6.096 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.432 -4.874 -5.451 1.00 0.00 C ATOM 1138 CD LYS A 69 0.107 -5.913 -6.417 1.00 0.00 C ATOM 1139 CE LYS A 69 -1.008 -6.738 -7.036 1.00 0.00 C ATOM 1140 NZ LYS A 69 -1.702 -7.590 -6.037 1.00 0.00 N ATOM 0 H LYS A 69 -2.999 -1.968 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.355 -3.368 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.334 -4.667 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.105 -3.577 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.383 -4.236 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.839 -5.371 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.673 -5.417 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.799 -6.572 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.731 -6.072 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.596 -7.369 -7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.908 -8.519 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.093 -7.714 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.592 -7.135 -5.751 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.967 -1.356 -3.710 1.00 0.00 N ATOM 1155 CA PHE A 70 0.019 -0.372 -3.312 1.00 0.00 C ATOM 1156 C PHE A 70 1.401 -0.991 -3.327 1.00 0.00 C ATOM 1157 O PHE A 70 1.778 -1.730 -2.415 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.298 0.196 -1.926 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.487 1.113 -1.913 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.766 0.614 -1.729 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -1.325 2.477 -2.092 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.859 1.458 -1.724 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -2.415 3.326 -2.087 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.684 2.815 -1.903 1.00 0.00 C ATOM 0 H PHE A 70 -1.649 -1.587 -2.987 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.010 0.452 -4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.477 -0.629 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.573 0.737 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.910 -0.447 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.334 2.882 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.851 1.056 -1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.274 4.388 -2.227 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.538 3.476 -1.899 1.00 0.00 H new ATOM 1174 N LYS A 71 2.133 -0.722 -4.392 1.00 0.00 N ATOM 1175 CA LYS A 71 3.478 -1.218 -4.524 1.00 0.00 C ATOM 1176 C LYS A 71 4.410 -0.331 -3.734 1.00 0.00 C ATOM 1177 O LYS A 71 5.016 0.613 -4.256 1.00 0.00 O ATOM 1178 CB LYS A 71 3.890 -1.301 -5.989 1.00 0.00 C ATOM 1179 CG LYS A 71 5.294 -1.840 -6.214 1.00 0.00 C ATOM 1180 CD LYS A 71 5.357 -2.590 -7.530 1.00 0.00 C ATOM 1181 CE LYS A 71 6.777 -2.770 -8.034 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.393 -1.479 -8.443 1.00 0.00 N ATOM 0 H LYS A 71 1.811 -0.159 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 71 3.532 -2.231 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.180 -1.936 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.820 -0.307 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.011 -1.019 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.574 -2.502 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.892 -3.568 -7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.776 -2.052 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.383 -3.229 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.776 -3.456 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.671 -1.529 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.706 -0.710 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.234 -1.295 -7.859 1.00 0.00 H new ATOM 1196 N ILE A 72 4.477 -0.618 -2.455 1.00 0.00 N ATOM 1197 CA ILE A 72 5.281 0.149 -1.547 1.00 0.00 C ATOM 1198 C ILE A 72 6.729 -0.245 -1.703 1.00 0.00 C ATOM 1199 O ILE A 72 7.187 -1.234 -1.137 1.00 0.00 O ATOM 1200 CB ILE A 72 4.825 -0.040 -0.088 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.363 0.388 0.049 1.00 0.00 C ATOM 1202 CG2 ILE A 72 5.710 0.758 0.857 1.00 0.00 C ATOM 1203 CD1 ILE A 72 2.788 0.185 1.432 1.00 0.00 C ATOM 0 H ILE A 72 3.974 -1.391 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 72 5.162 1.205 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 72 4.913 -1.093 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.277 1.441 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.763 -0.172 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.372 0.612 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.742 0.419 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.652 1.816 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.749 0.513 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.839 -0.871 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.361 0.767 2.153 1.00 0.00 H new ATOM 1215 N ARG A 73 7.429 0.491 -2.536 1.00 0.00 N ATOM 1216 CA ARG A 73 8.839 0.265 -2.710 1.00 0.00 C ATOM 1217 C ARG A 73 9.517 0.549 -1.391 1.00 0.00 C ATOM 1218 O ARG A 73 9.335 1.619 -0.810 1.00 0.00 O ATOM 1219 CB ARG A 73 9.399 1.151 -3.820 1.00 0.00 C ATOM 1220 CG ARG A 73 10.671 0.608 -4.456 1.00 0.00 C ATOM 1221 CD ARG A 73 10.871 1.178 -5.849 1.00 0.00 C ATOM 1222 NE ARG A 73 12.076 0.668 -6.500 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.634 1.235 -7.571 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.184 2.397 -8.031 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.666 0.657 -8.167 1.00 0.00 N ATOM 0 H ARG A 73 7.043 1.248 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 73 9.022 -0.767 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.640 1.272 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.601 2.142 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.529 0.857 -3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.620 -0.480 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.003 0.939 -6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.929 2.265 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 73 12.515 -0.168 -6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.406 2.863 -7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.617 2.823 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.035 -0.223 -7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.091 1.092 -8.986 1.00 0.00 H new ATOM 1239 N LYS A 74 10.239 -0.433 -0.896 1.00 0.00 N ATOM 1240 CA LYS A 74 10.930 -0.299 0.375 1.00 0.00 C ATOM 1241 C LYS A 74 11.913 0.858 0.307 1.00 0.00 C ATOM 1242 O LYS A 74 12.168 1.392 -0.778 1.00 0.00 O ATOM 1243 CB LYS A 74 11.657 -1.600 0.715 1.00 0.00 C ATOM 1244 CG LYS A 74 10.741 -2.810 0.698 1.00 0.00 C ATOM 1245 CD LYS A 74 11.505 -4.096 0.939 1.00 0.00 C ATOM 1246 CE LYS A 74 10.914 -5.235 0.118 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.677 -6.503 0.252 1.00 0.00 N ATOM 0 H LYS A 74 10.365 -1.336 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 74 10.202 -0.094 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.468 -1.754 0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.112 -1.509 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.972 -2.695 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.229 -2.865 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.553 -3.957 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.474 -4.350 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.883 -5.403 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.887 -4.943 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.679 -7.005 -0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.656 -6.291 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.231 -7.101 0.976 1.00 0.00 H new ATOM 1261 N ASP A 75 12.462 1.256 1.444 1.00 0.00 N ATOM 1262 CA ASP A 75 13.441 2.332 1.451 1.00 0.00 C ATOM 1263 C ASP A 75 14.733 1.823 0.851 1.00 0.00 C ATOM 1264 O ASP A 75 15.660 1.413 1.544 1.00 0.00 O ATOM 1265 CB ASP A 75 13.676 2.887 2.855 1.00 0.00 C ATOM 1266 CG ASP A 75 14.532 4.145 2.866 1.00 0.00 C ATOM 1267 OD1 ASP A 75 15.689 4.109 2.399 1.00 0.00 O ATOM 1268 OD2 ASP A 75 14.052 5.179 3.374 1.00 0.00 O ATOM 0 H ASP A 75 12.251 0.858 2.359 1.00 0.00 H new ATOM 0 HA ASP A 75 13.054 3.157 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.714 3.106 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.157 2.123 3.465 1.00 0.00 H new ATOM 1273 N VAL A 76 14.737 1.759 -0.452 1.00 0.00 N ATOM 1274 CA VAL A 76 15.914 1.412 -1.182 1.00 0.00 C ATOM 1275 C VAL A 76 16.454 2.670 -1.830 1.00 0.00 C ATOM 1276 O VAL A 76 16.054 3.037 -2.938 1.00 0.00 O ATOM 1277 CB VAL A 76 15.641 0.298 -2.219 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.476 -1.037 -1.510 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.409 0.606 -3.063 1.00 0.00 C ATOM 0 H VAL A 76 13.921 1.947 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 76 16.661 1.003 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 76 16.496 0.247 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.284 -1.818 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.387 -1.272 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.638 -0.979 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.249 -0.199 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.537 0.694 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.559 1.544 -3.598 1.00 0.00 H new ATOM 1289 N ASP A 77 17.298 3.362 -1.066 1.00 0.00 N ATOM 1290 CA ASP A 77 17.873 4.659 -1.455 1.00 0.00 C ATOM 1291 C ASP A 77 16.922 5.804 -1.105 1.00 0.00 C ATOM 1292 O ASP A 77 17.346 6.815 -0.548 1.00 0.00 O ATOM 1293 CB ASP A 77 18.232 4.698 -2.945 1.00 0.00 C ATOM 1294 CG ASP A 77 18.894 5.992 -3.370 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.180 6.916 -3.795 1.00 0.00 O ATOM 1296 OD2 ASP A 77 20.139 6.082 -3.303 1.00 0.00 O ATOM 0 H ASP A 77 17.608 3.039 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 77 18.795 4.786 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.898 3.866 -3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.326 4.551 -3.533 1.00 0.00 H new ATOM 1301 N VAL A 78 15.640 5.646 -1.430 1.00 0.00 N ATOM 1302 CA VAL A 78 14.633 6.654 -1.098 1.00 0.00 C ATOM 1303 C VAL A 78 13.418 6.018 -0.431 1.00 0.00 C ATOM 1304 O VAL A 78 13.039 4.886 -0.742 1.00 0.00 O ATOM 1305 CB VAL A 78 14.146 7.449 -2.332 1.00 0.00 C ATOM 1306 CG1 VAL A 78 15.298 8.157 -3.018 1.00 0.00 C ATOM 1307 CG2 VAL A 78 13.405 6.545 -3.299 1.00 0.00 C ATOM 0 H VAL A 78 15.274 4.831 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 78 15.126 7.344 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 78 13.450 8.213 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 78 14.924 8.707 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.766 8.851 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 78 16.033 7.422 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.072 7.127 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 78 14.070 5.749 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.540 6.109 -2.799 1.00 0.00 H new ATOM 1317 N PRO A 79 12.799 6.748 0.497 1.00 0.00 N ATOM 1318 CA PRO A 79 11.615 6.302 1.216 1.00 0.00 C ATOM 1319 C PRO A 79 10.290 6.722 0.565 1.00 0.00 C ATOM 1320 O PRO A 79 9.720 7.750 0.929 1.00 0.00 O ATOM 1321 CB PRO A 79 11.782 7.032 2.540 1.00 0.00 C ATOM 1322 CG PRO A 79 12.355 8.345 2.150 1.00 0.00 C ATOM 1323 CD PRO A 79 13.244 8.070 0.969 1.00 0.00 C ATOM 0 HA PRO A 79 11.553 5.215 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.829 7.149 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.445 6.491 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.568 9.053 1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.921 8.784 2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.130 8.830 0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.296 8.060 1.254 1.00 0.00 H new ATOM 1331 N LYS A 80 9.789 5.937 -0.380 1.00 0.00 N ATOM 1332 CA LYS A 80 8.464 6.191 -0.948 1.00 0.00 C ATOM 1333 C LYS A 80 7.953 4.988 -1.714 1.00 0.00 C ATOM 1334 O LYS A 80 8.729 4.118 -2.106 1.00 0.00 O ATOM 1335 CB LYS A 80 8.456 7.413 -1.866 1.00 0.00 C ATOM 1336 CG LYS A 80 7.752 8.615 -1.257 1.00 0.00 C ATOM 1337 CD LYS A 80 7.412 9.660 -2.309 1.00 0.00 C ATOM 1338 CE LYS A 80 8.638 10.089 -3.104 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.637 10.806 -2.268 1.00 0.00 N ATOM 0 H LYS A 80 10.271 5.126 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 80 7.803 6.388 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.484 7.685 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.968 7.151 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.839 8.288 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.389 9.061 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.661 9.259 -2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.971 10.531 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.105 9.210 -3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.327 10.734 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.451 11.076 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.203 11.660 -1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.957 10.184 -1.499 1.00 0.00 H new ATOM 1353 N MET A 81 6.646 4.947 -1.945 1.00 0.00 N ATOM 1354 CA MET A 81 6.058 3.821 -2.644 1.00 0.00 C ATOM 1355 C MET A 81 6.102 4.094 -4.150 1.00 0.00 C ATOM 1356 O MET A 81 5.564 5.092 -4.634 1.00 0.00 O ATOM 1357 CB MET A 81 4.628 3.554 -2.133 1.00 0.00 C ATOM 1358 CG MET A 81 3.527 4.122 -3.004 1.00 0.00 C ATOM 1359 SD MET A 81 1.922 4.160 -2.196 1.00 0.00 S ATOM 1360 CE MET A 81 2.278 5.244 -0.820 1.00 0.00 C ATOM 0 H MET A 81 5.985 5.671 -1.662 1.00 0.00 H new ATOM 0 HA MET A 81 6.630 2.914 -2.447 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.484 2.477 -2.045 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.531 3.971 -1.131 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.798 5.134 -3.304 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.452 3.528 -3.915 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.013 4.747 0.113 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.341 5.486 -0.813 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.697 6.161 -0.920 1.00 0.00 H new ATOM 1370 N VAL A 82 6.796 3.234 -4.876 1.00 0.00 N ATOM 1371 CA VAL A 82 7.011 3.423 -6.308 1.00 0.00 C ATOM 1372 C VAL A 82 5.695 3.460 -7.082 1.00 0.00 C ATOM 1373 O VAL A 82 5.537 4.250 -8.011 1.00 0.00 O ATOM 1374 CB VAL A 82 7.925 2.317 -6.881 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.346 0.942 -6.598 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.154 2.509 -8.374 1.00 0.00 C ATOM 0 H VAL A 82 7.225 2.390 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 82 7.502 4.389 -6.429 1.00 0.00 H new ATOM 0 HB VAL A 82 8.892 2.392 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.005 0.178 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.255 0.800 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.362 0.860 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.801 1.715 -8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.198 2.474 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.627 3.475 -8.548 1.00 0.00 H new ATOM 1386 N GLY A 83 4.745 2.630 -6.677 1.00 0.00 N ATOM 1387 CA GLY A 83 3.486 2.561 -7.378 1.00 0.00 C ATOM 1388 C GLY A 83 2.362 2.115 -6.476 1.00 0.00 C ATOM 1389 O GLY A 83 2.559 1.923 -5.278 1.00 0.00 O ATOM 0 H GLY A 83 4.826 2.005 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.249 3.540 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.575 1.870 -8.216 1.00 0.00 H new ATOM 1393 N ARG A 84 1.185 1.980 -7.051 1.00 0.00 N ATOM 1394 CA ARG A 84 0.007 1.519 -6.334 1.00 0.00 C ATOM 1395 C ARG A 84 -1.048 1.110 -7.350 1.00 0.00 C ATOM 1396 O ARG A 84 -2.240 1.378 -7.196 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.511 2.611 -5.398 1.00 0.00 C ATOM 1398 CG ARG A 84 -0.784 3.934 -6.085 1.00 0.00 C ATOM 1399 CD ARG A 84 -0.108 5.081 -5.356 1.00 0.00 C ATOM 1400 NE ARG A 84 1.348 5.057 -5.513 1.00 0.00 N ATOM 1401 CZ ARG A 84 2.025 5.901 -6.300 1.00 0.00 C ATOM 1402 NH1 ARG A 84 1.378 6.821 -7.001 1.00 0.00 N ATOM 1403 NH2 ARG A 84 3.348 5.827 -6.381 1.00 0.00 N ATOM 0 H ARG A 84 1.014 2.188 -8.035 1.00 0.00 H new ATOM 0 HA ARG A 84 0.258 0.658 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.429 2.263 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.218 2.770 -4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.427 3.893 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.859 4.110 -6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.496 6.027 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.358 5.033 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 84 1.876 4.357 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.362 6.887 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.896 7.463 -7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.853 5.124 -5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.859 6.473 -6.983 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.569 0.417 -8.370 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.361 0.053 -9.533 1.00 0.00 C ATOM 1419 C LYS A 85 -2.548 -0.819 -9.152 1.00 0.00 C ATOM 1420 O LYS A 85 -2.380 -1.888 -8.562 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.470 -0.685 -10.539 1.00 0.00 C ATOM 1422 CG LYS A 85 0.237 0.223 -11.526 1.00 0.00 C ATOM 1423 CD LYS A 85 1.150 -0.575 -12.437 1.00 0.00 C ATOM 1424 CE LYS A 85 1.997 0.328 -13.313 1.00 0.00 C ATOM 1425 NZ LYS A 85 2.890 -0.448 -14.213 1.00 0.00 N ATOM 0 H LYS A 85 0.395 0.087 -8.414 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.754 0.966 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.277 -1.260 -9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.080 -1.399 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.499 0.761 -12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.818 0.971 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.799 -1.211 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.551 -1.234 -13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.347 0.967 -13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.598 0.984 -12.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.451 0.207 -14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.528 -1.039 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.316 -1.055 -14.832 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.750 -0.364 -9.479 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.932 -1.165 -9.238 1.00 0.00 C ATOM 1441 C CYS A 86 -5.115 -2.144 -10.375 1.00 0.00 C ATOM 1442 O CYS A 86 -5.380 -1.760 -11.514 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.191 -0.314 -9.103 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.946 1.260 -8.217 1.00 0.00 S ATOM 0 H CYS A 86 -3.927 0.545 -9.907 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.784 -1.691 -8.295 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.578 -0.100 -10.099 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.953 -0.895 -8.583 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.959 -3.402 -10.059 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.148 -4.460 -11.021 1.00 0.00 C ATOM 1451 C ARG A 87 -6.292 -5.324 -10.553 1.00 0.00 C ATOM 1452 O ARG A 87 -6.113 -6.318 -9.848 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.865 -5.262 -11.217 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.813 -4.493 -11.993 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.537 -5.291 -12.157 1.00 0.00 C ATOM 1456 NE ARG A 87 -1.755 -6.553 -12.860 1.00 0.00 N ATOM 1457 CZ ARG A 87 -0.940 -7.022 -13.801 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.058 -6.270 -14.255 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -1.148 -8.227 -14.308 1.00 0.00 N ATOM 0 H ARG A 87 -4.697 -3.725 -9.127 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.393 -4.040 -11.997 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.462 -5.541 -10.243 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.096 -6.188 -11.744 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.206 -4.231 -12.975 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.593 -3.558 -11.478 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.807 -4.695 -12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.110 -5.494 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.577 -7.105 -12.616 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.200 -5.331 -13.882 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.682 -6.632 -14.977 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.930 -8.791 -13.977 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.526 -8.591 -15.030 1.00 0.00 H new