USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 800 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 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 173:sc= 0.558 (180deg=0.16) USER MOD Set 2.2: A 48 ASN : amide:sc= 0.877 K(o=1.4,f=-3.2!) USER MOD Set 3.1: A 11 CYS SG : rot -135:sc= -7.11! USER MOD Set 3.2: A 17 HIS : no HD1:sc= -0.543 K(o=-7.7,f=-19!) USER MOD Set 4.1: A 9 CYS SG : rot -29:sc= 0.844 USER MOD Set 4.2: A 64 SER OG : rot 12:sc= 1.16 USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= 0.658 (180deg=0.149) USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= 1.92 (180deg=-0.236) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -27:sc= 1.06 USER MOD Single : A 20 MET CE :methyl 172:sc= -1.81 (180deg=-1.87!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0791 F(o=-0.95,f=-0.079) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 40 THR OG1 : rot -150:sc= -1.73! USER MOD Single : A 41 GLN : amide:sc= -2.6 K(o=-2.6,f=-8.5!) USER MOD Single : A 47 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 51 THR OG1 : rot -67:sc= 0.523 USER MOD Single : A 53 GLN : amide:sc= -0.258 K(o=-0.26,f=-4!) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.786 K(o=-0.79,f=-2.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.224 K(o=0.22,f=-0.4) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc=-0.00543 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.859 K(o=-0.86,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ -133:sc= 1.46 (180deg=0.742) USER MOD Single : A 102 MET CE :methyl -175:sc= -0.439 (180deg=-0.662) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.356 F(o=-1.6,f=-0.36) USER MOD Single : A 108 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 7.791 -1.030 -1.383 1.00 0.00 N ATOM 30 CA LYS A 3 9.185 -0.714 -0.990 1.00 0.00 C ATOM 31 C LYS A 3 10.181 -1.491 -1.871 1.00 0.00 C ATOM 32 O LYS A 3 9.789 -2.243 -2.792 1.00 0.00 O ATOM 33 CB LYS A 3 9.408 -0.990 0.554 1.00 0.00 C ATOM 34 CG LYS A 3 8.296 -1.808 1.250 1.00 0.00 C ATOM 35 CD LYS A 3 8.552 -2.046 2.762 1.00 0.00 C ATOM 36 CE LYS A 3 7.545 -3.050 3.357 1.00 0.00 C ATOM 37 NZ LYS A 3 7.864 -3.446 4.756 1.00 0.00 N ATOM 0 HA LYS A 3 9.367 0.348 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.354 -1.516 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.506 -0.033 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.345 -1.289 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.199 -2.772 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.566 -2.419 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.482 -1.099 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.547 -2.612 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.519 -3.942 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.398 -4.349 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.893 -3.553 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.524 -2.713 5.410 1.00 0.00 H new ATOM 51 N LYS A 4 11.475 -1.318 -1.578 1.00 0.00 N ATOM 52 CA LYS A 4 12.551 -1.968 -2.341 1.00 0.00 C ATOM 53 C LYS A 4 13.702 -2.311 -1.371 1.00 0.00 C ATOM 54 O LYS A 4 14.050 -1.516 -0.501 1.00 0.00 O ATOM 55 CB LYS A 4 13.008 -1.026 -3.517 1.00 0.00 C ATOM 56 CG LYS A 4 13.535 -1.721 -4.801 1.00 0.00 C ATOM 57 CD LYS A 4 14.831 -2.525 -4.592 1.00 0.00 C ATOM 58 CE LYS A 4 15.267 -3.308 -5.840 1.00 0.00 C ATOM 59 NZ LYS A 4 15.349 -2.466 -7.046 1.00 0.00 N ATOM 0 H LYS A 4 11.806 -0.730 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 4 12.206 -2.897 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.165 -0.394 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.791 -0.367 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.763 -2.389 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.709 -0.964 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.630 -1.844 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.689 -3.221 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.239 -3.764 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.562 -4.120 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.176 -2.748 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.485 -2.586 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.444 -1.469 -6.767 1.00 0.00 H new ATOM 73 N LEU A 5 14.261 -3.511 -1.527 1.00 0.00 N ATOM 74 CA LEU A 5 15.429 -3.990 -0.781 1.00 0.00 C ATOM 75 C LEU A 5 16.504 -4.373 -1.784 1.00 0.00 C ATOM 76 O LEU A 5 16.220 -5.026 -2.794 1.00 0.00 O ATOM 77 CB LEU A 5 15.061 -5.214 0.098 1.00 0.00 C ATOM 78 CG LEU A 5 16.210 -5.850 0.987 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.647 -6.416 2.301 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.991 -6.976 0.262 1.00 0.00 C ATOM 0 H LEU A 5 13.906 -4.197 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 5 15.788 -3.203 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.247 -4.919 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.672 -5.994 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 5 16.902 -5.033 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.458 -6.845 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.172 -5.615 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.912 -7.189 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.762 -7.369 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.304 -7.778 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.456 -6.575 -0.638 1.00 0.00 H new ATOM 92 N ILE A 6 17.735 -3.961 -1.512 1.00 0.00 N ATOM 93 CA ILE A 6 18.900 -4.420 -2.262 1.00 0.00 C ATOM 94 C ILE A 6 19.922 -4.980 -1.275 1.00 0.00 C ATOM 95 O ILE A 6 19.855 -4.701 -0.070 1.00 0.00 O ATOM 96 CB ILE A 6 19.534 -3.285 -3.142 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.263 -2.213 -2.284 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.465 -2.632 -4.053 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.937 -1.121 -3.084 1.00 0.00 C ATOM 0 H ILE A 6 17.956 -3.300 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 6 18.581 -5.197 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 6 20.288 -3.753 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.542 -1.757 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.012 -2.708 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.928 -1.849 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.037 -3.388 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.677 -2.199 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.420 -0.418 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.685 -1.562 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.192 -0.595 -3.681 1.00 0.00 H new ATOM 111 N ALA A 7 20.848 -5.782 -1.786 1.00 0.00 N ATOM 112 CA ALA A 7 21.940 -6.343 -0.985 1.00 0.00 C ATOM 113 C ALA A 7 23.173 -6.552 -1.860 1.00 0.00 C ATOM 114 O ALA A 7 23.083 -6.540 -3.088 1.00 0.00 O ATOM 115 CB ALA A 7 21.505 -7.651 -0.296 1.00 0.00 C ATOM 0 H ALA A 7 20.867 -6.064 -2.766 1.00 0.00 H new ATOM 0 HA ALA A 7 22.197 -5.636 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.334 -8.046 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.657 -7.452 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.216 -8.381 -1.052 1.00 0.00 H new ATOM 121 N LEU A 8 24.321 -6.748 -1.221 1.00 0.00 N ATOM 122 CA LEU A 8 25.598 -6.907 -1.909 1.00 0.00 C ATOM 123 C LEU A 8 26.356 -8.034 -1.212 1.00 0.00 C ATOM 124 O LEU A 8 26.772 -7.891 -0.060 1.00 0.00 O ATOM 125 CB LEU A 8 26.389 -5.560 -1.901 1.00 0.00 C ATOM 126 CG LEU A 8 27.520 -5.379 -2.977 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.058 -3.936 -2.969 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.683 -6.379 -2.792 1.00 0.00 C ATOM 0 H LEU A 8 24.393 -6.801 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 8 25.454 -7.169 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.673 -4.748 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.839 -5.440 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 8 27.063 -5.588 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.840 -3.835 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.246 -3.244 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.469 -3.706 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.435 -6.209 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.132 -6.237 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.304 -7.398 -2.874 1.00 0.00 H new ATOM 140 N CYS A 9 26.490 -9.157 -1.914 1.00 0.00 N ATOM 141 CA CYS A 9 27.245 -10.317 -1.461 1.00 0.00 C ATOM 142 C CYS A 9 28.641 -10.312 -2.115 1.00 0.00 C ATOM 143 O CYS A 9 28.761 -10.574 -3.307 1.00 0.00 O ATOM 144 CB CYS A 9 26.454 -11.594 -1.809 1.00 0.00 C ATOM 145 SG CYS A 9 24.770 -11.624 -1.147 1.00 0.00 S ATOM 0 H CYS A 9 26.067 -9.286 -2.833 1.00 0.00 H new ATOM 0 HA CYS A 9 27.387 -10.285 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.408 -11.696 -2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 9 26.997 -12.460 -1.430 1.00 0.00 H new ATOM 0 HG CYS A 9 24.721 -10.924 -0.053 1.00 0.00 H new ATOM 151 N ALA A 10 29.697 -10.007 -1.331 1.00 0.00 N ATOM 152 CA ALA A 10 31.091 -9.926 -1.857 1.00 0.00 C ATOM 153 C ALA A 10 32.029 -10.903 -1.121 1.00 0.00 C ATOM 154 O ALA A 10 32.121 -10.873 0.109 1.00 0.00 O ATOM 155 CB ALA A 10 31.631 -8.490 -1.768 1.00 0.00 C ATOM 0 H ALA A 10 29.619 -9.812 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 10 31.061 -10.217 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.648 -8.459 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 10 30.997 -7.826 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.631 -8.165 -0.728 1.00 0.00 H new ATOM 161 N CYS A 11 32.707 -11.782 -1.885 1.00 0.00 N ATOM 162 CA CYS A 11 33.692 -12.749 -1.352 1.00 0.00 C ATOM 163 C CYS A 11 35.031 -12.654 -2.109 1.00 0.00 C ATOM 164 O CYS A 11 35.048 -12.389 -3.316 1.00 0.00 O ATOM 165 CB CYS A 11 33.159 -14.200 -1.445 1.00 0.00 C ATOM 166 SG CYS A 11 31.958 -14.628 -0.180 1.00 0.00 S ATOM 0 H CYS A 11 32.587 -11.843 -2.896 1.00 0.00 H new ATOM 0 HA CYS A 11 33.854 -12.494 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.705 -14.346 -2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 11 34.001 -14.889 -1.378 1.00 0.00 H new ATOM 0 HG CYS A 11 32.244 -15.797 0.312 1.00 0.00 H new ATOM 172 N PRO A 12 36.178 -12.884 -1.398 1.00 0.00 N ATOM 173 CA PRO A 12 37.500 -13.062 -2.038 1.00 0.00 C ATOM 174 C PRO A 12 37.755 -14.537 -2.443 1.00 0.00 C ATOM 175 O PRO A 12 38.669 -14.827 -3.222 1.00 0.00 O ATOM 176 CB PRO A 12 38.456 -12.599 -0.915 1.00 0.00 C ATOM 177 CG PRO A 12 37.780 -13.044 0.356 1.00 0.00 C ATOM 178 CD PRO A 12 36.285 -12.954 0.097 1.00 0.00 C ATOM 0 HA PRO A 12 37.615 -12.510 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.442 -13.051 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.597 -11.518 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.069 -14.063 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.069 -12.409 1.193 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.758 -13.822 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.851 -12.073 0.570 1.00 0.00 H new ATOM 186 N MET A 13 36.909 -15.451 -1.910 1.00 0.00 N ATOM 187 CA MET A 13 37.040 -16.903 -2.097 1.00 0.00 C ATOM 188 C MET A 13 36.489 -17.315 -3.469 1.00 0.00 C ATOM 189 O MET A 13 37.209 -17.892 -4.294 1.00 0.00 O ATOM 190 CB MET A 13 36.273 -17.656 -0.975 1.00 0.00 C ATOM 191 CG MET A 13 36.653 -17.241 0.449 1.00 0.00 C ATOM 192 SD MET A 13 38.397 -17.509 0.822 1.00 0.00 S ATOM 193 CE MET A 13 38.492 -16.889 2.505 1.00 0.00 C ATOM 0 H MET A 13 36.110 -15.190 -1.333 1.00 0.00 H new ATOM 0 HA MET A 13 38.097 -17.166 -2.047 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.204 -17.494 -1.113 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.451 -18.726 -1.087 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.415 -16.187 0.589 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.045 -17.802 1.159 1.00 0.00 H new ATOM 0 HE1 MET A 13 39.513 -16.989 2.872 1.00 0.00 H new ATOM 0 HE2 MET A 13 38.201 -15.839 2.523 1.00 0.00 H new ATOM 0 HE3 MET A 13 37.819 -17.463 3.143 1.00 0.00 H new ATOM 203 N GLY A 14 35.198 -17.002 -3.695 1.00 0.00 N ATOM 204 CA GLY A 14 34.520 -17.361 -4.936 1.00 0.00 C ATOM 205 C GLY A 14 33.076 -16.887 -4.976 1.00 0.00 C ATOM 206 O GLY A 14 32.478 -16.591 -3.929 1.00 0.00 O ATOM 0 H GLY A 14 34.611 -16.501 -3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.062 -16.932 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.546 -18.444 -5.059 1.00 0.00 H new ATOM 210 N LEU A 15 32.513 -16.849 -6.197 1.00 0.00 N ATOM 211 CA LEU A 15 31.120 -16.445 -6.444 1.00 0.00 C ATOM 212 C LEU A 15 30.123 -17.500 -5.936 1.00 0.00 C ATOM 213 O LEU A 15 28.956 -17.189 -5.747 1.00 0.00 O ATOM 214 CB LEU A 15 30.891 -16.142 -7.954 1.00 0.00 C ATOM 215 CG LEU A 15 31.410 -14.755 -8.466 1.00 0.00 C ATOM 216 CD1 LEU A 15 31.263 -14.630 -10.001 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.676 -13.591 -7.743 1.00 0.00 C ATOM 0 H LEU A 15 33.018 -17.100 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 15 30.939 -15.530 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.374 -16.926 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.822 -16.205 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 15 32.472 -14.689 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.632 -13.656 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.841 -15.416 -10.487 1.00 0.00 H new ATOM 0 HD13 LEU A 15 30.213 -14.729 -10.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.052 -12.638 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.606 -13.659 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.855 -13.659 -6.670 1.00 0.00 H new ATOM 229 N ALA A 16 30.593 -18.741 -5.712 1.00 0.00 N ATOM 230 CA ALA A 16 29.767 -19.806 -5.111 1.00 0.00 C ATOM 231 C ALA A 16 29.209 -19.364 -3.746 1.00 0.00 C ATOM 232 O ALA A 16 28.017 -19.537 -3.457 1.00 0.00 O ATOM 233 CB ALA A 16 30.574 -21.103 -4.964 1.00 0.00 C ATOM 0 H ALA A 16 31.544 -19.032 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 16 28.927 -19.996 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.945 -21.874 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.914 -21.433 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.437 -20.924 -4.323 1.00 0.00 H new ATOM 239 N HIS A 17 30.087 -18.740 -2.939 1.00 0.00 N ATOM 240 CA HIS A 17 29.741 -18.267 -1.592 1.00 0.00 C ATOM 241 C HIS A 17 28.738 -17.102 -1.678 1.00 0.00 C ATOM 242 O HIS A 17 27.756 -17.060 -0.923 1.00 0.00 O ATOM 243 CB HIS A 17 31.031 -17.855 -0.816 1.00 0.00 C ATOM 244 CG HIS A 17 30.904 -17.897 0.692 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.576 -17.043 1.539 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.208 -18.734 1.497 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.284 -17.343 2.789 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.459 -18.363 2.791 1.00 0.00 N ATOM 0 H HIS A 17 31.054 -18.551 -3.205 1.00 0.00 H new ATOM 0 HA HIS A 17 29.265 -19.077 -1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.845 -18.514 -1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.311 -16.845 -1.115 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.571 -19.546 1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.661 -16.835 3.664 1.00 0.00 H new ATOM 0 HE2 HIS A 17 30.068 -18.808 3.622 1.00 0.00 H new ATOM 257 N THR A 18 28.980 -16.192 -2.643 1.00 0.00 N ATOM 258 CA THR A 18 28.156 -14.994 -2.841 1.00 0.00 C ATOM 259 C THR A 18 26.738 -15.359 -3.318 1.00 0.00 C ATOM 260 O THR A 18 25.783 -14.707 -2.930 1.00 0.00 O ATOM 261 CB THR A 18 28.801 -14.003 -3.866 1.00 0.00 C ATOM 262 OG1 THR A 18 28.806 -14.565 -5.181 1.00 0.00 O ATOM 263 CG2 THR A 18 30.233 -13.621 -3.488 1.00 0.00 C ATOM 0 H THR A 18 29.753 -16.272 -3.304 1.00 0.00 H new ATOM 0 HA THR A 18 28.094 -14.502 -1.870 1.00 0.00 H new ATOM 0 HB THR A 18 28.189 -13.102 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.821 -15.543 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.634 -12.932 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.235 -13.141 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.852 -14.518 -3.453 1.00 0.00 H new ATOM 271 N PHE A 19 26.626 -16.408 -4.164 1.00 0.00 N ATOM 272 CA PHE A 19 25.339 -16.839 -4.749 1.00 0.00 C ATOM 273 C PHE A 19 24.448 -17.517 -3.702 1.00 0.00 C ATOM 274 O PHE A 19 23.230 -17.372 -3.749 1.00 0.00 O ATOM 275 CB PHE A 19 25.546 -17.782 -5.968 1.00 0.00 C ATOM 276 CG PHE A 19 26.231 -17.143 -7.182 1.00 0.00 C ATOM 277 CD1 PHE A 19 26.176 -15.765 -7.411 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.935 -17.930 -8.095 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.798 -15.202 -8.502 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.556 -17.360 -9.188 1.00 0.00 C ATOM 281 CZ PHE A 19 27.487 -15.995 -9.391 1.00 0.00 C ATOM 0 H PHE A 19 27.421 -16.976 -4.458 1.00 0.00 H new ATOM 0 HA PHE A 19 24.836 -15.938 -5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.138 -18.639 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.574 -18.165 -6.280 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.637 -15.132 -6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 19 26.994 -18.998 -7.944 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.745 -14.135 -8.661 1.00 0.00 H new ATOM 0 HE2 PHE A 19 28.097 -17.982 -9.886 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.973 -15.551 -10.247 1.00 0.00 H new ATOM 291 N MET A 20 25.062 -18.259 -2.764 1.00 0.00 N ATOM 292 CA MET A 20 24.317 -18.894 -1.656 1.00 0.00 C ATOM 293 C MET A 20 23.761 -17.825 -0.693 1.00 0.00 C ATOM 294 O MET A 20 22.654 -17.969 -0.166 1.00 0.00 O ATOM 295 CB MET A 20 25.215 -19.913 -0.914 1.00 0.00 C ATOM 296 CG MET A 20 25.707 -21.068 -1.803 1.00 0.00 C ATOM 297 SD MET A 20 26.675 -22.303 -0.909 1.00 0.00 S ATOM 298 CE MET A 20 28.001 -21.325 -0.208 1.00 0.00 C ATOM 0 H MET A 20 26.067 -18.435 -2.748 1.00 0.00 H new ATOM 0 HA MET A 20 23.469 -19.438 -2.071 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.078 -19.390 -0.502 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.661 -20.326 -0.071 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.846 -21.555 -2.262 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.312 -20.660 -2.613 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.583 -21.940 0.479 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.648 -20.963 -1.007 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.581 -20.476 0.332 1.00 0.00 H new ATOM 308 N ALA A 21 24.543 -16.746 -0.502 1.00 0.00 N ATOM 309 CA ALA A 21 24.122 -15.565 0.279 1.00 0.00 C ATOM 310 C ALA A 21 23.030 -14.777 -0.453 1.00 0.00 C ATOM 311 O ALA A 21 22.058 -14.332 0.159 1.00 0.00 O ATOM 312 CB ALA A 21 25.330 -14.668 0.558 1.00 0.00 C ATOM 0 H ALA A 21 25.485 -16.667 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 21 23.706 -15.910 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 21 25.013 -13.799 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.075 -15.227 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.764 -14.338 -0.386 1.00 0.00 H new ATOM 318 N ALA A 22 23.211 -14.636 -1.776 1.00 0.00 N ATOM 319 CA ALA A 22 22.305 -13.880 -2.648 1.00 0.00 C ATOM 320 C ALA A 22 20.941 -14.556 -2.732 1.00 0.00 C ATOM 321 O ALA A 22 19.925 -13.884 -2.724 1.00 0.00 O ATOM 322 CB ALA A 22 22.904 -13.725 -4.050 1.00 0.00 C ATOM 0 H ALA A 22 24.000 -15.049 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 22 22.174 -12.889 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.215 -13.161 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.853 -13.193 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.070 -14.710 -4.486 1.00 0.00 H new ATOM 328 N GLN A 23 20.945 -15.896 -2.801 1.00 0.00 N ATOM 329 CA GLN A 23 19.719 -16.696 -2.900 1.00 0.00 C ATOM 330 C GLN A 23 18.957 -16.649 -1.572 1.00 0.00 C ATOM 331 O GLN A 23 17.732 -16.512 -1.553 1.00 0.00 O ATOM 332 CB GLN A 23 20.048 -18.164 -3.287 1.00 0.00 C ATOM 333 CG GLN A 23 18.811 -19.058 -3.521 1.00 0.00 C ATOM 334 CD GLN A 23 17.888 -18.535 -4.632 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.926 -17.715 -4.267 1.00 0.00 O flip ATOM 336 NE2 GLN A 23 18.045 -18.871 -5.807 1.00 0.00 N flip ATOM 0 H GLN A 23 21.799 -16.453 -2.790 1.00 0.00 H new ATOM 0 HA GLN A 23 19.090 -16.274 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.654 -18.160 -4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.656 -18.607 -2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.141 -20.065 -3.776 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.245 -19.134 -2.593 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.800 -19.509 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.420 -18.512 -6.528 1.00 0.00 H new ATOM 345 N ALA A 24 19.716 -16.742 -0.474 1.00 0.00 N ATOM 346 CA ALA A 24 19.168 -16.739 0.881 1.00 0.00 C ATOM 347 C ALA A 24 18.451 -15.405 1.198 1.00 0.00 C ATOM 348 O ALA A 24 17.272 -15.399 1.601 1.00 0.00 O ATOM 349 CB ALA A 24 20.301 -17.040 1.873 1.00 0.00 C ATOM 0 H ALA A 24 20.732 -16.822 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 24 18.409 -17.516 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.905 -17.041 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.730 -18.017 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.074 -16.276 1.785 1.00 0.00 H new ATOM 355 N LEU A 25 19.162 -14.282 0.972 1.00 0.00 N ATOM 356 CA LEU A 25 18.622 -12.923 1.184 1.00 0.00 C ATOM 357 C LEU A 25 17.468 -12.619 0.218 1.00 0.00 C ATOM 358 O LEU A 25 16.546 -11.885 0.577 1.00 0.00 O ATOM 359 CB LEU A 25 19.725 -11.848 1.011 1.00 0.00 C ATOM 360 CG LEU A 25 20.874 -11.862 2.061 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.902 -10.747 1.771 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.323 -11.747 3.501 1.00 0.00 C ATOM 0 H LEU A 25 20.126 -14.291 0.638 1.00 0.00 H new ATOM 0 HA LEU A 25 18.246 -12.890 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.165 -11.966 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.252 -10.866 1.035 1.00 0.00 H new ATOM 0 HG LEU A 25 21.385 -12.821 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.694 -10.779 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.332 -10.897 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.407 -9.777 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.151 -11.760 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.770 -10.813 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.658 -12.587 3.704 1.00 0.00 H new ATOM 374 N GLU A 26 17.553 -13.180 -1.009 1.00 0.00 N ATOM 375 CA GLU A 26 16.527 -12.999 -2.054 1.00 0.00 C ATOM 376 C GLU A 26 15.178 -13.530 -1.579 1.00 0.00 C ATOM 377 O GLU A 26 14.225 -12.764 -1.487 1.00 0.00 O ATOM 378 CB GLU A 26 16.960 -13.696 -3.368 1.00 0.00 C ATOM 379 CG GLU A 26 15.955 -13.636 -4.537 1.00 0.00 C ATOM 380 CD GLU A 26 16.558 -14.147 -5.851 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.733 -15.373 -6.003 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.930 -13.324 -6.711 1.00 0.00 O ATOM 0 H GLU A 26 18.333 -13.769 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 26 16.422 -11.932 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.897 -13.249 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.166 -14.743 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.076 -14.230 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.617 -12.608 -4.670 1.00 0.00 H new ATOM 389 N GLU A 27 15.146 -14.833 -1.226 1.00 0.00 N ATOM 390 CA GLU A 27 13.929 -15.525 -0.754 1.00 0.00 C ATOM 391 C GLU A 27 13.289 -14.777 0.423 1.00 0.00 C ATOM 392 O GLU A 27 12.107 -14.478 0.385 1.00 0.00 O ATOM 393 CB GLU A 27 14.263 -16.986 -0.353 1.00 0.00 C ATOM 394 CG GLU A 27 14.825 -17.850 -1.496 1.00 0.00 C ATOM 395 CD GLU A 27 13.870 -17.970 -2.698 1.00 0.00 C ATOM 396 OE1 GLU A 27 12.897 -18.750 -2.616 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.090 -17.290 -3.730 1.00 0.00 O ATOM 0 H GLU A 27 15.968 -15.436 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 27 13.209 -15.541 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.987 -16.969 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.360 -17.459 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.770 -17.424 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.044 -18.847 -1.114 1.00 0.00 H new ATOM 404 N ALA A 28 14.124 -14.420 1.414 1.00 0.00 N ATOM 405 CA ALA A 28 13.694 -13.686 2.627 1.00 0.00 C ATOM 406 C ALA A 28 13.022 -12.341 2.275 1.00 0.00 C ATOM 407 O ALA A 28 11.950 -12.007 2.798 1.00 0.00 O ATOM 408 CB ALA A 28 14.909 -13.466 3.537 1.00 0.00 C ATOM 0 H ALA A 28 15.122 -14.631 1.400 1.00 0.00 H new ATOM 0 HA ALA A 28 12.948 -14.284 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.600 -12.926 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.330 -14.430 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.662 -12.885 3.005 1.00 0.00 H new ATOM 414 N ALA A 29 13.668 -11.594 1.371 1.00 0.00 N ATOM 415 CA ALA A 29 13.170 -10.301 0.873 1.00 0.00 C ATOM 416 C ALA A 29 11.903 -10.436 -0.002 1.00 0.00 C ATOM 417 O ALA A 29 11.071 -9.519 -0.035 1.00 0.00 O ATOM 418 CB ALA A 29 14.280 -9.589 0.103 1.00 0.00 C ATOM 0 H ALA A 29 14.559 -11.871 0.960 1.00 0.00 H new ATOM 0 HA ALA A 29 12.879 -9.709 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.911 -8.632 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.130 -9.420 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.592 -10.206 -0.739 1.00 0.00 H new ATOM 424 N VAL A 30 11.744 -11.585 -0.684 1.00 0.00 N ATOM 425 CA VAL A 30 10.575 -11.841 -1.553 1.00 0.00 C ATOM 426 C VAL A 30 9.330 -12.020 -0.666 1.00 0.00 C ATOM 427 O VAL A 30 8.254 -11.493 -0.964 1.00 0.00 O ATOM 428 CB VAL A 30 10.810 -13.108 -2.471 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.511 -13.591 -3.161 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.898 -12.826 -3.537 1.00 0.00 C ATOM 0 H VAL A 30 12.412 -12.355 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 30 10.426 -10.991 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 30 11.150 -13.907 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.729 -14.462 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.774 -13.858 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.113 -12.793 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.040 -13.713 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.584 -11.992 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.836 -12.574 -3.042 1.00 0.00 H new ATOM 440 N GLU A 31 9.539 -12.722 0.453 1.00 0.00 N ATOM 441 CA GLU A 31 8.508 -13.003 1.469 1.00 0.00 C ATOM 442 C GLU A 31 8.133 -11.729 2.254 1.00 0.00 C ATOM 443 O GLU A 31 7.026 -11.628 2.792 1.00 0.00 O ATOM 444 CB GLU A 31 9.043 -14.099 2.424 1.00 0.00 C ATOM 445 CG GLU A 31 9.535 -15.364 1.690 1.00 0.00 C ATOM 446 CD GLU A 31 8.412 -16.204 1.064 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.049 -15.963 -0.107 1.00 0.00 O ATOM 448 OE2 GLU A 31 7.890 -17.109 1.749 1.00 0.00 O ATOM 0 H GLU A 31 10.448 -13.121 0.687 1.00 0.00 H new ATOM 0 HA GLU A 31 7.601 -13.352 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.862 -13.688 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.255 -14.377 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.232 -15.068 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.090 -15.986 2.393 1.00 0.00 H new ATOM 455 N ALA A 32 9.062 -10.760 2.302 1.00 0.00 N ATOM 456 CA ALA A 32 8.848 -9.464 2.972 1.00 0.00 C ATOM 457 C ALA A 32 7.984 -8.504 2.115 1.00 0.00 C ATOM 458 O ALA A 32 7.609 -7.418 2.572 1.00 0.00 O ATOM 459 CB ALA A 32 10.200 -8.859 3.328 1.00 0.00 C ATOM 0 H ALA A 32 9.985 -10.852 1.877 1.00 0.00 H new ATOM 0 HA ALA A 32 8.284 -9.627 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.050 -7.900 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.736 -9.533 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.783 -8.710 2.419 1.00 0.00 H new ATOM 465 N GLY A 33 7.696 -8.916 0.861 1.00 0.00 N ATOM 466 CA GLY A 33 6.655 -8.286 0.040 1.00 0.00 C ATOM 467 C GLY A 33 7.103 -7.036 -0.705 1.00 0.00 C ATOM 468 O GLY A 33 6.273 -6.181 -1.030 1.00 0.00 O ATOM 0 H GLY A 33 8.177 -9.688 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.293 -9.015 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.812 -8.028 0.681 1.00 0.00 H new ATOM 472 N TYR A 34 8.410 -6.914 -0.971 1.00 0.00 N ATOM 473 CA TYR A 34 8.966 -5.828 -1.815 1.00 0.00 C ATOM 474 C TYR A 34 9.877 -6.387 -2.913 1.00 0.00 C ATOM 475 O TYR A 34 10.093 -7.607 -2.995 1.00 0.00 O ATOM 476 CB TYR A 34 9.711 -4.775 -0.953 1.00 0.00 C ATOM 477 CG TYR A 34 10.561 -5.294 0.221 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.448 -6.357 0.102 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.473 -4.680 1.460 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.185 -6.779 1.187 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.204 -5.095 2.527 1.00 0.00 C ATOM 482 CZ TYR A 34 12.061 -6.136 2.394 1.00 0.00 C ATOM 483 OH TYR A 34 12.788 -6.551 3.479 1.00 0.00 O ATOM 0 H TYR A 34 9.116 -7.558 -0.613 1.00 0.00 H new ATOM 0 HA TYR A 34 8.129 -5.328 -2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.362 -4.200 -1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.971 -4.083 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.561 -6.857 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.801 -3.844 1.581 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.861 -7.616 1.088 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.102 -4.596 3.479 1.00 0.00 H new ATOM 0 HH TYR A 34 12.578 -5.984 4.250 1.00 0.00 H new ATOM 493 N GLU A 35 10.413 -5.476 -3.753 1.00 0.00 N ATOM 494 CA GLU A 35 11.331 -5.851 -4.844 1.00 0.00 C ATOM 495 C GLU A 35 12.735 -6.101 -4.265 1.00 0.00 C ATOM 496 O GLU A 35 13.155 -5.374 -3.376 1.00 0.00 O ATOM 497 CB GLU A 35 11.369 -4.731 -5.915 1.00 0.00 C ATOM 498 CG GLU A 35 12.189 -5.077 -7.180 1.00 0.00 C ATOM 499 CD GLU A 35 12.131 -3.986 -8.261 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.632 -2.869 -8.014 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.575 -4.229 -9.352 1.00 0.00 O ATOM 0 H GLU A 35 10.224 -4.475 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 35 10.978 -6.765 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.347 -4.497 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.784 -3.829 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.228 -5.243 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.820 -6.013 -7.599 1.00 0.00 H new ATOM 508 N VAL A 36 13.447 -7.128 -4.761 1.00 0.00 N ATOM 509 CA VAL A 36 14.817 -7.449 -4.306 1.00 0.00 C ATOM 510 C VAL A 36 15.803 -7.376 -5.491 1.00 0.00 C ATOM 511 O VAL A 36 15.445 -7.708 -6.629 1.00 0.00 O ATOM 512 CB VAL A 36 14.892 -8.863 -3.602 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.574 -10.036 -4.566 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.263 -9.072 -2.908 1.00 0.00 C ATOM 0 H VAL A 36 13.095 -7.756 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 36 15.101 -6.705 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 36 14.114 -8.867 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.642 -10.980 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.566 -9.917 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.291 -10.036 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.285 -10.053 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.059 -9.011 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.410 -8.300 -2.153 1.00 0.00 H new ATOM 524 N LYS A 37 17.029 -6.898 -5.218 1.00 0.00 N ATOM 525 CA LYS A 37 18.129 -6.887 -6.198 1.00 0.00 C ATOM 526 C LYS A 37 19.464 -7.030 -5.461 1.00 0.00 C ATOM 527 O LYS A 37 19.818 -6.170 -4.663 1.00 0.00 O ATOM 528 CB LYS A 37 18.116 -5.582 -7.028 1.00 0.00 C ATOM 529 CG LYS A 37 19.228 -5.500 -8.102 1.00 0.00 C ATOM 530 CD LYS A 37 19.058 -6.503 -9.257 1.00 0.00 C ATOM 531 CE LYS A 37 20.240 -6.455 -10.241 1.00 0.00 C ATOM 532 NZ LYS A 37 19.975 -7.205 -11.498 1.00 0.00 N ATOM 0 H LYS A 37 17.286 -6.508 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 37 17.998 -7.723 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.147 -5.486 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.217 -4.734 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.249 -4.490 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.193 -5.671 -7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.965 -7.510 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.133 -6.287 -9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.463 -5.416 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.126 -6.867 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.752 -7.042 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.907 -8.221 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.081 -6.877 -11.916 1.00 0.00 H new ATOM 546 N ILE A 38 20.192 -8.132 -5.701 1.00 0.00 N ATOM 547 CA ILE A 38 21.461 -8.415 -5.001 1.00 0.00 C ATOM 548 C ILE A 38 22.650 -8.558 -5.977 1.00 0.00 C ATOM 549 O ILE A 38 22.698 -9.492 -6.785 1.00 0.00 O ATOM 550 CB ILE A 38 21.300 -9.710 -4.143 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.057 -9.558 -3.200 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.589 -10.033 -3.330 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.585 -10.828 -2.562 1.00 0.00 C ATOM 0 H ILE A 38 19.924 -8.847 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 38 21.685 -7.567 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 38 21.139 -10.552 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.302 -8.844 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.235 -9.131 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.434 -10.941 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.424 -10.180 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.812 -9.204 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.722 -10.619 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.303 -11.541 -3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.386 -11.250 -1.955 1.00 0.00 H new ATOM 565 N GLU A 39 23.602 -7.617 -5.875 1.00 0.00 N ATOM 566 CA GLU A 39 24.895 -7.667 -6.587 1.00 0.00 C ATOM 567 C GLU A 39 25.809 -8.686 -5.899 1.00 0.00 C ATOM 568 O GLU A 39 25.780 -8.812 -4.677 1.00 0.00 O ATOM 569 CB GLU A 39 25.539 -6.257 -6.556 1.00 0.00 C ATOM 570 CG GLU A 39 26.924 -6.133 -7.208 1.00 0.00 C ATOM 571 CD GLU A 39 27.490 -4.696 -7.140 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.953 -3.812 -7.838 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.452 -4.452 -6.392 1.00 0.00 O ATOM 0 H GLU A 39 23.497 -6.789 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 39 24.746 -7.970 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.863 -5.560 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.619 -5.939 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.616 -6.815 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.859 -6.444 -8.251 1.00 0.00 H new ATOM 580 N THR A 40 26.602 -9.415 -6.689 1.00 0.00 N ATOM 581 CA THR A 40 27.516 -10.441 -6.178 1.00 0.00 C ATOM 582 C THR A 40 28.935 -10.204 -6.718 1.00 0.00 C ATOM 583 O THR A 40 29.217 -10.492 -7.880 1.00 0.00 O ATOM 584 CB THR A 40 26.996 -11.867 -6.561 1.00 0.00 C ATOM 585 OG1 THR A 40 26.430 -11.839 -7.872 1.00 0.00 O ATOM 586 CG2 THR A 40 25.941 -12.391 -5.579 1.00 0.00 C ATOM 0 H THR A 40 26.629 -9.310 -7.703 1.00 0.00 H new ATOM 0 HA THR A 40 27.553 -10.376 -5.091 1.00 0.00 H new ATOM 0 HB THR A 40 27.854 -12.539 -6.523 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.720 -12.512 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.614 -13.383 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.371 -12.448 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.086 -11.714 -5.568 1.00 0.00 H new ATOM 594 N GLN A 41 29.823 -9.663 -5.864 1.00 0.00 N ATOM 595 CA GLN A 41 31.215 -9.374 -6.238 1.00 0.00 C ATOM 596 C GLN A 41 32.129 -10.542 -5.840 1.00 0.00 C ATOM 597 O GLN A 41 31.990 -11.109 -4.754 1.00 0.00 O ATOM 598 CB GLN A 41 31.693 -8.056 -5.579 1.00 0.00 C ATOM 599 CG GLN A 41 30.896 -6.819 -6.016 1.00 0.00 C ATOM 600 CD GLN A 41 31.456 -5.495 -5.477 1.00 0.00 C ATOM 601 OE1 GLN A 41 31.059 -5.024 -4.432 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.426 -4.918 -6.164 1.00 0.00 N ATOM 0 H GLN A 41 29.595 -9.416 -4.901 1.00 0.00 H new ATOM 0 HA GLN A 41 31.265 -9.251 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.624 -8.157 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.745 -7.902 -5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.877 -6.777 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.864 -6.928 -5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.745 -5.330 -7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.856 -4.060 -5.818 1.00 0.00 H new ATOM 611 N GLY A 42 33.052 -10.890 -6.742 1.00 0.00 N ATOM 612 CA GLY A 42 34.043 -11.934 -6.500 1.00 0.00 C ATOM 613 C GLY A 42 35.274 -11.745 -7.371 1.00 0.00 C ATOM 614 O GLY A 42 35.247 -10.948 -8.316 1.00 0.00 O ATOM 0 H GLY A 42 33.130 -10.453 -7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.334 -11.925 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.601 -12.910 -6.700 1.00 0.00 H new ATOM 618 N ALA A 43 36.342 -12.513 -7.072 1.00 0.00 N ATOM 619 CA ALA A 43 37.624 -12.457 -7.813 1.00 0.00 C ATOM 620 C ALA A 43 37.438 -12.829 -9.301 1.00 0.00 C ATOM 621 O ALA A 43 38.175 -12.352 -10.170 1.00 0.00 O ATOM 622 CB ALA A 43 38.656 -13.380 -7.145 1.00 0.00 C ATOM 0 H ALA A 43 36.342 -13.191 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 43 37.991 -11.431 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.596 -13.334 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.821 -13.057 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.284 -14.405 -7.148 1.00 0.00 H new ATOM 628 N ASP A 44 36.437 -13.682 -9.566 1.00 0.00 N ATOM 629 CA ASP A 44 36.057 -14.112 -10.924 1.00 0.00 C ATOM 630 C ASP A 44 35.368 -12.959 -11.684 1.00 0.00 C ATOM 631 O ASP A 44 35.598 -12.767 -12.884 1.00 0.00 O ATOM 632 CB ASP A 44 35.117 -15.340 -10.825 1.00 0.00 C ATOM 633 CG ASP A 44 34.744 -15.956 -12.187 1.00 0.00 C ATOM 634 OD1 ASP A 44 35.512 -16.803 -12.699 1.00 0.00 O ATOM 635 OD2 ASP A 44 33.688 -15.597 -12.753 1.00 0.00 O ATOM 0 H ASP A 44 35.860 -14.099 -8.835 1.00 0.00 H new ATOM 0 HA ASP A 44 36.953 -14.390 -11.479 1.00 0.00 H new ATOM 0 HB2 ASP A 44 35.597 -16.103 -10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.203 -15.044 -10.309 1.00 0.00 H new ATOM 640 N GLY A 45 34.525 -12.199 -10.962 1.00 0.00 N ATOM 641 CA GLY A 45 33.772 -11.093 -11.551 1.00 0.00 C ATOM 642 C GLY A 45 32.581 -10.679 -10.703 1.00 0.00 C ATOM 643 O GLY A 45 32.367 -11.216 -9.607 1.00 0.00 O ATOM 0 H GLY A 45 34.352 -12.337 -9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.434 -10.237 -11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.424 -11.383 -12.543 1.00 0.00 H new ATOM 647 N ILE A 46 31.813 -9.699 -11.212 1.00 0.00 N ATOM 648 CA ILE A 46 30.606 -9.174 -10.547 1.00 0.00 C ATOM 649 C ILE A 46 29.347 -9.566 -11.348 1.00 0.00 C ATOM 650 O ILE A 46 29.220 -9.229 -12.534 1.00 0.00 O ATOM 651 CB ILE A 46 30.680 -7.608 -10.379 1.00 0.00 C ATOM 652 CG1 ILE A 46 31.956 -7.227 -9.562 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.398 -7.059 -9.695 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.228 -5.744 -9.429 1.00 0.00 C ATOM 0 H ILE A 46 32.014 -9.245 -12.103 1.00 0.00 H new ATOM 0 HA ILE A 46 30.549 -9.615 -9.552 1.00 0.00 H new ATOM 0 HB ILE A 46 30.744 -7.152 -11.367 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.866 -7.653 -8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.820 -7.696 -10.032 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.476 -5.977 -9.592 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.528 -7.304 -10.304 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.290 -7.511 -8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.135 -5.591 -8.845 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.357 -5.307 -10.419 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.388 -5.264 -8.927 1.00 0.00 H new ATOM 666 N GLN A 47 28.426 -10.267 -10.678 1.00 0.00 N ATOM 667 CA GLN A 47 27.156 -10.743 -11.256 1.00 0.00 C ATOM 668 C GLN A 47 25.979 -9.899 -10.748 1.00 0.00 C ATOM 669 O GLN A 47 26.003 -9.406 -9.615 1.00 0.00 O ATOM 670 CB GLN A 47 26.956 -12.244 -10.886 1.00 0.00 C ATOM 671 CG GLN A 47 25.581 -12.877 -11.250 1.00 0.00 C ATOM 672 CD GLN A 47 25.191 -12.791 -12.733 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.010 -12.693 -13.061 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.162 -12.851 -13.641 1.00 0.00 N ATOM 0 H GLN A 47 28.541 -10.527 -9.698 1.00 0.00 H new ATOM 0 HA GLN A 47 27.194 -10.641 -12.341 1.00 0.00 H new ATOM 0 HB2 GLN A 47 27.738 -12.823 -11.378 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.107 -12.353 -9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.593 -13.926 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 47 24.807 -12.388 -10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.134 -12.932 -13.343 1.00 0.00 H new ATOM 0 HE22 GLN A 47 25.934 -12.816 -14.635 1.00 0.00 H new ATOM 683 N ASN A 48 24.979 -9.740 -11.632 1.00 0.00 N ATOM 684 CA ASN A 48 23.659 -9.115 -11.375 1.00 0.00 C ATOM 685 C ASN A 48 23.749 -7.574 -11.384 1.00 0.00 C ATOM 686 O ASN A 48 22.976 -6.926 -12.093 1.00 0.00 O ATOM 687 CB ASN A 48 22.984 -9.676 -10.076 1.00 0.00 C ATOM 688 CG ASN A 48 21.456 -9.762 -10.158 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.885 -9.894 -11.239 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.776 -9.702 -9.024 1.00 0.00 N ATOM 0 H ASN A 48 25.069 -10.059 -12.597 1.00 0.00 H new ATOM 0 HA ASN A 48 23.002 -9.393 -12.199 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.384 -10.669 -9.871 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.258 -9.042 -9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.758 -9.766 -9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.270 -9.592 -8.138 1.00 0.00 H new ATOM 697 N ARG A 49 24.698 -7.019 -10.591 1.00 0.00 N ATOM 698 CA ARG A 49 25.057 -5.590 -10.551 1.00 0.00 C ATOM 699 C ARG A 49 23.904 -4.676 -10.071 1.00 0.00 C ATOM 700 O ARG A 49 22.825 -4.623 -10.661 1.00 0.00 O ATOM 701 CB ARG A 49 25.607 -5.121 -11.923 1.00 0.00 C ATOM 702 CG ARG A 49 25.949 -3.619 -12.014 1.00 0.00 C ATOM 703 CD ARG A 49 27.082 -3.178 -11.066 1.00 0.00 C ATOM 704 NE ARG A 49 28.417 -3.534 -11.561 1.00 0.00 N ATOM 705 CZ ARG A 49 29.527 -3.533 -10.818 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.460 -3.447 -9.497 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.699 -3.689 -11.397 1.00 0.00 N ATOM 0 H ARG A 49 25.251 -7.578 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 49 25.845 -5.495 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.504 -5.696 -12.153 1.00 0.00 H new ATOM 0 HB3 ARG A 49 24.871 -5.357 -12.692 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.234 -3.383 -13.039 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.054 -3.038 -11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.029 -2.099 -10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.929 -3.636 -10.089 1.00 0.00 H new ATOM 0 HE ARG A 49 28.503 -3.801 -12.542 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.553 -3.381 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.316 -3.447 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.756 -3.810 -12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.550 -3.689 -10.834 1.00 0.00 H new ATOM 721 N LEU A 50 24.171 -3.946 -8.998 1.00 0.00 N ATOM 722 CA LEU A 50 23.281 -2.906 -8.482 1.00 0.00 C ATOM 723 C LEU A 50 23.481 -1.603 -9.251 1.00 0.00 C ATOM 724 O LEU A 50 24.606 -1.134 -9.406 1.00 0.00 O ATOM 725 CB LEU A 50 23.533 -2.713 -6.971 1.00 0.00 C ATOM 726 CG LEU A 50 22.918 -3.831 -6.083 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.468 -3.797 -4.650 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.396 -3.719 -6.091 1.00 0.00 C ATOM 0 H LEU A 50 25.024 -4.058 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 50 22.245 -3.213 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.608 -2.672 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.122 -1.751 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 50 23.206 -4.794 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.011 -4.595 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.549 -3.937 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.236 -2.835 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.970 -4.505 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.101 -2.745 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.029 -3.827 -7.112 1.00 0.00 H new ATOM 740 N THR A 51 22.373 -1.050 -9.743 1.00 0.00 N ATOM 741 CA THR A 51 22.353 0.235 -10.443 1.00 0.00 C ATOM 742 C THR A 51 22.122 1.359 -9.421 1.00 0.00 C ATOM 743 O THR A 51 21.628 1.101 -8.320 1.00 0.00 O ATOM 744 CB THR A 51 21.225 0.256 -11.528 1.00 0.00 C ATOM 745 OG1 THR A 51 19.933 0.217 -10.899 1.00 0.00 O ATOM 746 CG2 THR A 51 21.338 -0.932 -12.500 1.00 0.00 C ATOM 0 H THR A 51 21.454 -1.486 -9.666 1.00 0.00 H new ATOM 0 HA THR A 51 23.309 0.384 -10.945 1.00 0.00 H new ATOM 0 HB THR A 51 21.344 1.179 -12.095 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.811 -0.649 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.536 -0.878 -13.236 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.301 -0.895 -13.010 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.258 -1.866 -11.944 1.00 0.00 H new ATOM 754 N ALA A 52 22.462 2.605 -9.793 1.00 0.00 N ATOM 755 CA ALA A 52 22.237 3.785 -8.937 1.00 0.00 C ATOM 756 C ALA A 52 20.738 3.974 -8.617 1.00 0.00 C ATOM 757 O ALA A 52 20.391 4.518 -7.568 1.00 0.00 O ATOM 758 CB ALA A 52 22.822 5.035 -9.598 1.00 0.00 C ATOM 0 H ALA A 52 22.898 2.823 -10.689 1.00 0.00 H new ATOM 0 HA ALA A 52 22.750 3.621 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.650 5.900 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.893 4.901 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 52 22.340 5.196 -10.562 1.00 0.00 H new ATOM 764 N GLN A 53 19.868 3.484 -9.530 1.00 0.00 N ATOM 765 CA GLN A 53 18.405 3.480 -9.347 1.00 0.00 C ATOM 766 C GLN A 53 17.986 2.487 -8.245 1.00 0.00 C ATOM 767 O GLN A 53 17.091 2.789 -7.451 1.00 0.00 O ATOM 768 CB GLN A 53 17.694 3.137 -10.684 1.00 0.00 C ATOM 769 CG GLN A 53 16.142 3.054 -10.620 1.00 0.00 C ATOM 770 CD GLN A 53 15.415 4.385 -10.335 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.930 5.286 -9.678 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.190 4.503 -10.816 1.00 0.00 N ATOM 0 H GLN A 53 20.166 3.079 -10.417 1.00 0.00 H new ATOM 0 HA GLN A 53 18.101 4.479 -9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.969 3.889 -11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.076 2.181 -11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.778 2.657 -11.568 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.866 2.337 -9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.780 3.743 -11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.654 5.354 -10.644 1.00 0.00 H new ATOM 781 N ASP A 54 18.641 1.305 -8.212 1.00 0.00 N ATOM 782 CA ASP A 54 18.430 0.304 -7.138 1.00 0.00 C ATOM 783 C ASP A 54 18.746 0.916 -5.776 1.00 0.00 C ATOM 784 O ASP A 54 17.955 0.811 -4.848 1.00 0.00 O ATOM 785 CB ASP A 54 19.306 -0.965 -7.351 1.00 0.00 C ATOM 786 CG ASP A 54 18.818 -1.859 -8.493 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.612 -2.168 -8.528 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.626 -2.283 -9.347 1.00 0.00 O ATOM 0 H ASP A 54 19.321 1.019 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 54 17.383 0.005 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.332 -0.659 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.322 -1.545 -6.428 1.00 0.00 H new ATOM 793 N ILE A 55 19.904 1.584 -5.716 1.00 0.00 N ATOM 794 CA ILE A 55 20.436 2.214 -4.493 1.00 0.00 C ATOM 795 C ILE A 55 19.567 3.429 -4.069 1.00 0.00 C ATOM 796 O ILE A 55 19.454 3.744 -2.877 1.00 0.00 O ATOM 797 CB ILE A 55 21.938 2.650 -4.718 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.766 1.490 -5.371 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.604 3.109 -3.396 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.180 1.865 -5.804 1.00 0.00 C ATOM 0 H ILE A 55 20.511 1.706 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 55 20.401 1.484 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 55 21.929 3.499 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.827 0.665 -4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.222 1.122 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.636 3.401 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.057 3.959 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.588 2.290 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.669 0.995 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.134 2.666 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.749 2.202 -4.937 1.00 0.00 H new ATOM 812 N ALA A 56 18.946 4.085 -5.070 1.00 0.00 N ATOM 813 CA ALA A 56 18.072 5.252 -4.863 1.00 0.00 C ATOM 814 C ALA A 56 16.734 4.849 -4.215 1.00 0.00 C ATOM 815 O ALA A 56 16.304 5.468 -3.234 1.00 0.00 O ATOM 816 CB ALA A 56 17.825 5.973 -6.197 1.00 0.00 C ATOM 0 H ALA A 56 19.039 3.817 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 56 18.579 5.932 -4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.177 6.834 -6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.776 6.309 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.346 5.289 -6.897 1.00 0.00 H new ATOM 822 N GLU A 57 16.086 3.811 -4.780 1.00 0.00 N ATOM 823 CA GLU A 57 14.749 3.347 -4.341 1.00 0.00 C ATOM 824 C GLU A 57 14.834 2.373 -3.155 1.00 0.00 C ATOM 825 O GLU A 57 13.807 2.065 -2.534 1.00 0.00 O ATOM 826 CB GLU A 57 13.994 2.677 -5.518 1.00 0.00 C ATOM 827 CG GLU A 57 13.797 3.598 -6.734 1.00 0.00 C ATOM 828 CD GLU A 57 12.877 2.995 -7.807 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.354 2.167 -8.611 1.00 0.00 O ATOM 830 OE2 GLU A 57 11.671 3.330 -7.846 1.00 0.00 O ATOM 0 H GLU A 57 16.472 3.269 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 57 14.198 4.227 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.544 1.789 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.018 2.341 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.380 4.548 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.768 3.816 -7.178 1.00 0.00 H new ATOM 837 N ALA A 58 16.056 1.887 -2.867 1.00 0.00 N ATOM 838 CA ALA A 58 16.313 0.917 -1.788 1.00 0.00 C ATOM 839 C ALA A 58 15.945 1.486 -0.408 1.00 0.00 C ATOM 840 O ALA A 58 16.699 2.263 0.179 1.00 0.00 O ATOM 841 CB ALA A 58 17.778 0.465 -1.798 1.00 0.00 C ATOM 0 H ALA A 58 16.896 2.158 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 58 15.675 0.053 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.943 -0.251 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.007 -0.005 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.426 1.329 -1.654 1.00 0.00 H new ATOM 847 N THR A 59 14.752 1.107 0.065 1.00 0.00 N ATOM 848 CA THR A 59 14.284 1.367 1.433 1.00 0.00 C ATOM 849 C THR A 59 15.219 0.669 2.448 1.00 0.00 C ATOM 850 O THR A 59 15.482 1.181 3.544 1.00 0.00 O ATOM 851 CB THR A 59 12.819 0.836 1.592 1.00 0.00 C ATOM 852 OG1 THR A 59 11.999 1.354 0.523 1.00 0.00 O ATOM 853 CG2 THR A 59 12.190 1.207 2.953 1.00 0.00 C ATOM 0 H THR A 59 14.072 0.602 -0.502 1.00 0.00 H new ATOM 0 HA THR A 59 14.297 2.440 1.625 1.00 0.00 H new ATOM 0 HB THR A 59 12.865 -0.252 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.075 1.448 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.175 0.812 3.005 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.787 0.779 3.758 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.163 2.292 3.058 1.00 0.00 H new ATOM 861 N ILE A 60 15.721 -0.512 2.036 1.00 0.00 N ATOM 862 CA ILE A 60 16.637 -1.347 2.827 1.00 0.00 C ATOM 863 C ILE A 60 17.848 -1.752 1.960 1.00 0.00 C ATOM 864 O ILE A 60 17.684 -2.077 0.780 1.00 0.00 O ATOM 865 CB ILE A 60 15.895 -2.638 3.342 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.665 -2.273 4.242 1.00 0.00 C ATOM 867 CG2 ILE A 60 16.868 -3.575 4.090 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.804 -3.449 4.679 1.00 0.00 C ATOM 0 H ILE A 60 15.495 -0.917 1.127 1.00 0.00 H new ATOM 0 HA ILE A 60 16.982 -0.774 3.688 1.00 0.00 H new ATOM 0 HB ILE A 60 15.518 -3.170 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.028 -1.759 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.037 -1.566 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.330 -4.458 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.670 -3.878 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.292 -3.051 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.982 -3.088 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.403 -3.953 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.410 -4.149 5.254 1.00 0.00 H new ATOM 880 N ILE A 61 19.065 -1.710 2.552 1.00 0.00 N ATOM 881 CA ILE A 61 20.317 -2.172 1.898 1.00 0.00 C ATOM 882 C ILE A 61 21.094 -3.060 2.885 1.00 0.00 C ATOM 883 O ILE A 61 21.246 -2.680 4.039 1.00 0.00 O ATOM 884 CB ILE A 61 21.243 -0.971 1.459 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.435 0.093 0.649 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.464 -1.482 0.632 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.222 1.307 0.212 1.00 0.00 C ATOM 0 H ILE A 61 19.209 -1.355 3.497 1.00 0.00 H new ATOM 0 HA ILE A 61 20.039 -2.724 1.000 1.00 0.00 H new ATOM 0 HB ILE A 61 21.620 -0.493 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.019 -0.388 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.593 0.426 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.086 -0.636 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.050 -2.173 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.109 -1.995 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.571 1.983 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.616 1.820 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.048 0.995 -0.427 1.00 0.00 H new ATOM 899 N ILE A 62 21.569 -4.242 2.443 1.00 0.00 N ATOM 900 CA ILE A 62 22.425 -5.129 3.273 1.00 0.00 C ATOM 901 C ILE A 62 23.773 -5.357 2.554 1.00 0.00 C ATOM 902 O ILE A 62 23.787 -5.922 1.471 1.00 0.00 O ATOM 903 CB ILE A 62 21.770 -6.555 3.559 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.353 -6.465 4.227 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.705 -7.422 4.439 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.199 -6.221 3.280 1.00 0.00 C ATOM 0 H ILE A 62 21.376 -4.610 1.512 1.00 0.00 H new ATOM 0 HA ILE A 62 22.554 -4.625 4.231 1.00 0.00 H new ATOM 0 HB ILE A 62 21.637 -7.024 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.166 -7.393 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.369 -5.664 4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.238 -8.390 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.655 -7.568 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.880 -6.918 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.268 -6.176 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.351 -5.277 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.145 -7.033 2.555 1.00 0.00 H new ATOM 918 N HIS A 63 24.907 -4.922 3.142 1.00 0.00 N ATOM 919 CA HIS A 63 26.247 -5.296 2.621 1.00 0.00 C ATOM 920 C HIS A 63 26.709 -6.574 3.313 1.00 0.00 C ATOM 921 O HIS A 63 27.402 -6.542 4.328 1.00 0.00 O ATOM 922 CB HIS A 63 27.296 -4.149 2.753 1.00 0.00 C ATOM 923 CG HIS A 63 27.312 -3.185 1.587 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.377 -2.346 1.365 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.391 -2.991 0.607 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.083 -1.675 0.272 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.893 -2.033 -0.227 1.00 0.00 N ATOM 0 H HIS A 63 24.927 -4.320 3.965 1.00 0.00 H new ATOM 0 HA HIS A 63 26.159 -5.476 1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.095 -3.592 3.668 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.287 -4.589 2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.443 -3.498 0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.724 -0.926 -0.169 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.448 -1.662 -1.067 1.00 0.00 H new ATOM 935 N SER A 64 26.259 -7.700 2.760 1.00 0.00 N ATOM 936 CA SER A 64 26.626 -9.033 3.216 1.00 0.00 C ATOM 937 C SER A 64 27.967 -9.417 2.586 1.00 0.00 C ATOM 938 O SER A 64 28.028 -10.079 1.546 1.00 0.00 O ATOM 939 CB SER A 64 25.504 -10.007 2.826 1.00 0.00 C ATOM 940 OG SER A 64 25.147 -9.886 1.454 1.00 0.00 O ATOM 0 H SER A 64 25.617 -7.707 1.967 1.00 0.00 H new ATOM 0 HA SER A 64 26.744 -9.067 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.824 -11.029 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 64 24.628 -9.818 3.447 1.00 0.00 H new ATOM 0 HG SER A 64 25.815 -9.340 0.989 1.00 0.00 H new ATOM 946 N VAL A 65 29.059 -8.943 3.186 1.00 0.00 N ATOM 947 CA VAL A 65 30.391 -9.019 2.569 1.00 0.00 C ATOM 948 C VAL A 65 31.426 -9.635 3.515 1.00 0.00 C ATOM 949 O VAL A 65 31.243 -9.682 4.734 1.00 0.00 O ATOM 950 CB VAL A 65 30.854 -7.589 2.093 1.00 0.00 C ATOM 951 CG1 VAL A 65 29.893 -7.014 1.021 1.00 0.00 C ATOM 952 CG2 VAL A 65 30.992 -6.606 3.291 1.00 0.00 C ATOM 0 H VAL A 65 29.051 -8.499 4.104 1.00 0.00 H new ATOM 0 HA VAL A 65 30.316 -9.675 1.702 1.00 0.00 H new ATOM 0 HB VAL A 65 31.838 -7.703 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.240 -6.027 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.873 -7.678 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 65 28.889 -6.932 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.313 -5.630 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.030 -6.507 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.730 -6.991 3.994 1.00 0.00 H new ATOM 962 N ALA A 66 32.495 -10.144 2.905 1.00 0.00 N ATOM 963 CA ALA A 66 33.694 -10.656 3.589 1.00 0.00 C ATOM 964 C ALA A 66 34.884 -9.725 3.298 1.00 0.00 C ATOM 965 O ALA A 66 35.942 -9.839 3.921 1.00 0.00 O ATOM 966 CB ALA A 66 33.987 -12.087 3.114 1.00 0.00 C ATOM 0 H ALA A 66 32.558 -10.216 1.890 1.00 0.00 H new ATOM 0 HA ALA A 66 33.527 -10.680 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.875 -12.464 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.137 -12.728 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.158 -12.085 2.037 1.00 0.00 H new ATOM 972 N VAL A 67 34.684 -8.818 2.319 1.00 0.00 N ATOM 973 CA VAL A 67 35.659 -7.805 1.883 1.00 0.00 C ATOM 974 C VAL A 67 34.939 -6.462 1.716 1.00 0.00 C ATOM 975 O VAL A 67 33.740 -6.442 1.435 1.00 0.00 O ATOM 976 CB VAL A 67 36.339 -8.199 0.508 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.327 -9.369 0.685 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.277 -8.533 -0.585 1.00 0.00 C ATOM 0 H VAL A 67 33.810 -8.772 1.795 1.00 0.00 H new ATOM 0 HA VAL A 67 36.440 -7.737 2.640 1.00 0.00 H new ATOM 0 HB VAL A 67 36.902 -7.330 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 67 37.776 -9.615 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.109 -9.082 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 67 36.795 -10.239 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 67 35.782 -8.799 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 67 34.664 -9.371 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 67 34.642 -7.663 -0.753 1.00 0.00 H new ATOM 988 N THR A 68 35.670 -5.352 1.900 1.00 0.00 N ATOM 989 CA THR A 68 35.151 -4.008 1.629 1.00 0.00 C ATOM 990 C THR A 68 34.878 -3.871 0.109 1.00 0.00 C ATOM 991 O THR A 68 35.836 -3.897 -0.679 1.00 0.00 O ATOM 992 CB THR A 68 36.162 -2.911 2.103 1.00 0.00 C ATOM 993 OG1 THR A 68 36.538 -3.168 3.468 1.00 0.00 O ATOM 994 CG2 THR A 68 35.569 -1.485 1.986 1.00 0.00 C ATOM 0 H THR A 68 36.632 -5.363 2.239 1.00 0.00 H new ATOM 0 HA THR A 68 34.224 -3.864 2.184 1.00 0.00 H new ATOM 0 HB THR A 68 37.036 -2.958 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.172 -2.484 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.305 -0.756 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.311 -1.283 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 68 34.674 -1.411 2.603 1.00 0.00 H new ATOM 1002 N PRO A 69 33.574 -3.785 -0.330 1.00 0.00 N ATOM 1003 CA PRO A 69 33.221 -3.783 -1.767 1.00 0.00 C ATOM 1004 C PRO A 69 33.802 -2.566 -2.529 1.00 0.00 C ATOM 1005 O PRO A 69 34.047 -1.506 -1.945 1.00 0.00 O ATOM 1006 CB PRO A 69 31.670 -3.786 -1.772 1.00 0.00 C ATOM 1007 CG PRO A 69 31.259 -3.281 -0.426 1.00 0.00 C ATOM 1008 CD PRO A 69 32.356 -3.690 0.532 1.00 0.00 C ATOM 0 HA PRO A 69 33.645 -4.641 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.280 -3.148 -2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.281 -4.789 -1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.136 -2.198 -0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.302 -3.707 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.486 -2.955 1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.132 -4.643 1.012 1.00 0.00 H new ATOM 1016 N GLU A 70 34.019 -2.747 -3.836 1.00 0.00 N ATOM 1017 CA GLU A 70 34.622 -1.722 -4.710 1.00 0.00 C ATOM 1018 C GLU A 70 33.604 -0.627 -5.057 1.00 0.00 C ATOM 1019 O GLU A 70 33.975 0.521 -5.340 1.00 0.00 O ATOM 1020 CB GLU A 70 35.176 -2.394 -5.996 1.00 0.00 C ATOM 1021 CG GLU A 70 36.150 -3.566 -5.737 1.00 0.00 C ATOM 1022 CD GLU A 70 37.360 -3.177 -4.859 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.335 -2.616 -5.398 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.333 -3.421 -3.629 1.00 0.00 O ATOM 0 H GLU A 70 33.782 -3.611 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 70 35.446 -1.246 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.338 -2.759 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.686 -1.639 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.608 -4.379 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.511 -3.946 -6.693 1.00 0.00 H new ATOM 1031 N ASP A 71 32.320 -0.999 -5.007 1.00 0.00 N ATOM 1032 CA ASP A 71 31.195 -0.095 -5.286 1.00 0.00 C ATOM 1033 C ASP A 71 30.622 0.496 -3.991 1.00 0.00 C ATOM 1034 O ASP A 71 29.597 1.164 -4.032 1.00 0.00 O ATOM 1035 CB ASP A 71 30.102 -0.866 -6.072 1.00 0.00 C ATOM 1036 CG ASP A 71 30.634 -1.420 -7.399 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.274 -2.500 -7.388 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.449 -0.772 -8.454 1.00 0.00 O ATOM 0 H ASP A 71 32.028 -1.947 -4.769 1.00 0.00 H new ATOM 0 HA ASP A 71 31.553 0.738 -5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.726 -1.687 -5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.260 -0.203 -6.267 1.00 0.00 H new ATOM 1043 N ASN A 72 31.332 0.296 -2.858 1.00 0.00 N ATOM 1044 CA ASN A 72 30.873 0.704 -1.505 1.00 0.00 C ATOM 1045 C ASN A 72 30.605 2.229 -1.436 1.00 0.00 C ATOM 1046 O ASN A 72 29.700 2.672 -0.724 1.00 0.00 O ATOM 1047 CB ASN A 72 31.944 0.298 -0.449 1.00 0.00 C ATOM 1048 CG ASN A 72 31.478 0.203 1.024 1.00 0.00 C ATOM 1049 OD1 ASN A 72 32.123 -0.478 1.815 1.00 0.00 O ATOM 1050 ND2 ASN A 72 30.359 0.810 1.409 1.00 0.00 N ATOM 0 H ASN A 72 32.246 -0.156 -2.854 1.00 0.00 H new ATOM 0 HA ASN A 72 29.935 0.193 -1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.354 -0.670 -0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.760 1.018 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 72 30.030 0.712 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 72 29.830 1.374 0.744 1.00 0.00 H new ATOM 1057 N GLU A 73 31.390 3.014 -2.200 1.00 0.00 N ATOM 1058 CA GLU A 73 31.244 4.485 -2.266 1.00 0.00 C ATOM 1059 C GLU A 73 29.901 4.915 -2.901 1.00 0.00 C ATOM 1060 O GLU A 73 29.433 6.016 -2.643 1.00 0.00 O ATOM 1061 CB GLU A 73 32.467 5.156 -2.976 1.00 0.00 C ATOM 1062 CG GLU A 73 32.993 4.475 -4.264 1.00 0.00 C ATOM 1063 CD GLU A 73 31.987 4.371 -5.417 1.00 0.00 C ATOM 1064 OE1 GLU A 73 31.456 5.419 -5.858 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.707 3.247 -5.874 1.00 0.00 O ATOM 0 H GLU A 73 32.141 2.650 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 73 31.229 4.846 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.194 6.182 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.288 5.207 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 73 33.865 5.027 -4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.332 3.471 -4.010 1.00 0.00 H new ATOM 1072 N ARG A 74 29.304 4.043 -3.744 1.00 0.00 N ATOM 1073 CA ARG A 74 27.951 4.256 -4.309 1.00 0.00 C ATOM 1074 C ARG A 74 26.855 4.104 -3.234 1.00 0.00 C ATOM 1075 O ARG A 74 25.743 4.624 -3.380 1.00 0.00 O ATOM 1076 CB ARG A 74 27.693 3.270 -5.488 1.00 0.00 C ATOM 1077 CG ARG A 74 28.540 3.572 -6.730 1.00 0.00 C ATOM 1078 CD ARG A 74 28.299 2.612 -7.912 1.00 0.00 C ATOM 1079 NE ARG A 74 28.831 3.187 -9.167 1.00 0.00 N ATOM 1080 CZ ARG A 74 29.297 2.509 -10.226 1.00 0.00 C ATOM 1081 NH1 ARG A 74 29.423 1.191 -10.209 1.00 0.00 N ATOM 1082 NH2 ARG A 74 29.683 3.178 -11.301 1.00 0.00 N ATOM 0 H ARG A 74 29.744 3.175 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 74 27.908 5.278 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.901 2.253 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.638 3.307 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.333 4.591 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.594 3.533 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.779 1.654 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 74 27.232 2.418 -8.018 1.00 0.00 H new ATOM 0 HE ARG A 74 28.845 4.205 -9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 74 29.163 0.664 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 74 29.780 0.702 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 74 29.624 4.196 -11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 74 30.040 2.675 -12.114 1.00 0.00 H new ATOM 1096 N PHE A 75 27.187 3.366 -2.170 1.00 0.00 N ATOM 1097 CA PHE A 75 26.278 3.089 -1.034 1.00 0.00 C ATOM 1098 C PHE A 75 26.667 3.916 0.210 1.00 0.00 C ATOM 1099 O PHE A 75 26.036 3.778 1.258 1.00 0.00 O ATOM 1100 CB PHE A 75 26.329 1.577 -0.684 1.00 0.00 C ATOM 1101 CG PHE A 75 26.041 0.647 -1.858 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.064 0.257 -2.718 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.765 0.156 -2.093 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.824 -0.590 -3.778 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.528 -0.689 -3.152 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.557 -1.063 -3.995 1.00 0.00 C ATOM 0 H PHE A 75 28.105 2.935 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 75 25.268 3.371 -1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.316 1.342 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.608 1.376 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 75 28.065 0.626 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.953 0.439 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.631 -0.880 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.530 -1.063 -3.326 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.362 -1.727 -4.824 1.00 0.00 H new ATOM 1116 N GLU A 76 27.702 4.772 0.067 1.00 0.00 N ATOM 1117 CA GLU A 76 28.313 5.522 1.187 1.00 0.00 C ATOM 1118 C GLU A 76 27.301 6.473 1.864 1.00 0.00 C ATOM 1119 O GLU A 76 27.145 6.461 3.090 1.00 0.00 O ATOM 1120 CB GLU A 76 29.532 6.326 0.669 1.00 0.00 C ATOM 1121 CG GLU A 76 30.331 7.089 1.748 1.00 0.00 C ATOM 1122 CD GLU A 76 31.351 8.066 1.148 1.00 0.00 C ATOM 1123 OE1 GLU A 76 32.478 7.642 0.814 1.00 0.00 O ATOM 1124 OE2 GLU A 76 31.017 9.261 0.985 1.00 0.00 O ATOM 0 H GLU A 76 28.140 4.963 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 76 28.636 4.801 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.208 5.640 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.183 7.042 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.639 7.639 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.851 6.373 2.384 1.00 0.00 H new ATOM 1131 N SER A 77 26.613 7.285 1.044 1.00 0.00 N ATOM 1132 CA SER A 77 25.629 8.274 1.529 1.00 0.00 C ATOM 1133 C SER A 77 24.247 7.631 1.788 1.00 0.00 C ATOM 1134 O SER A 77 23.310 8.322 2.200 1.00 0.00 O ATOM 1135 CB SER A 77 25.524 9.438 0.517 1.00 0.00 C ATOM 1136 OG SER A 77 25.162 8.971 -0.771 1.00 0.00 O ATOM 0 H SER A 77 26.721 7.277 0.030 1.00 0.00 H new ATOM 0 HA SER A 77 25.976 8.664 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 77 24.785 10.160 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 77 26.479 9.961 0.461 1.00 0.00 H new ATOM 0 HG SER A 77 25.102 9.729 -1.389 1.00 0.00 H new ATOM 1142 N ARG A 78 24.130 6.307 1.552 1.00 0.00 N ATOM 1143 CA ARG A 78 22.902 5.533 1.824 1.00 0.00 C ATOM 1144 C ARG A 78 23.048 4.719 3.122 1.00 0.00 C ATOM 1145 O ARG A 78 24.157 4.310 3.494 1.00 0.00 O ATOM 1146 CB ARG A 78 22.555 4.615 0.617 1.00 0.00 C ATOM 1147 CG ARG A 78 21.829 5.318 -0.558 1.00 0.00 C ATOM 1148 CD ARG A 78 20.510 5.982 -0.109 1.00 0.00 C ATOM 1149 NE ARG A 78 19.627 6.341 -1.239 1.00 0.00 N ATOM 1150 CZ ARG A 78 19.100 7.554 -1.462 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.506 8.609 -0.765 1.00 0.00 N ATOM 1152 NH2 ARG A 78 18.187 7.715 -2.404 1.00 0.00 N ATOM 0 H ARG A 78 24.888 5.744 1.166 1.00 0.00 H new ATOM 0 HA ARG A 78 22.076 6.231 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.477 4.172 0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.930 3.796 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.486 6.073 -0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.620 4.590 -1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.978 5.304 0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.739 6.880 0.465 1.00 0.00 H new ATOM 0 HE ARG A 78 19.399 5.603 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 78 20.226 8.502 -0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 78 19.098 9.526 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.883 6.917 -2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.786 8.638 -2.573 1.00 0.00 H new ATOM 1166 N ASP A 79 21.912 4.509 3.812 1.00 0.00 N ATOM 1167 CA ASP A 79 21.855 3.779 5.094 1.00 0.00 C ATOM 1168 C ASP A 79 21.896 2.261 4.855 1.00 0.00 C ATOM 1169 O ASP A 79 20.866 1.613 4.614 1.00 0.00 O ATOM 1170 CB ASP A 79 20.597 4.186 5.906 1.00 0.00 C ATOM 1171 CG ASP A 79 20.670 5.639 6.408 1.00 0.00 C ATOM 1172 OD1 ASP A 79 21.404 5.894 7.389 1.00 0.00 O ATOM 1173 OD2 ASP A 79 20.022 6.533 5.816 1.00 0.00 O ATOM 0 H ASP A 79 21.002 4.843 3.495 1.00 0.00 H new ATOM 0 HA ASP A 79 22.731 4.050 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.710 4.063 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 79 20.484 3.515 6.758 1.00 0.00 H new ATOM 1178 N VAL A 80 23.117 1.717 4.881 1.00 0.00 N ATOM 1179 CA VAL A 80 23.381 0.288 4.671 1.00 0.00 C ATOM 1180 C VAL A 80 23.557 -0.449 6.018 1.00 0.00 C ATOM 1181 O VAL A 80 24.109 0.101 6.980 1.00 0.00 O ATOM 1182 CB VAL A 80 24.670 0.095 3.798 1.00 0.00 C ATOM 1183 CG1 VAL A 80 24.929 -1.391 3.478 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.600 0.938 2.506 1.00 0.00 C ATOM 0 H VAL A 80 23.962 2.263 5.051 1.00 0.00 H new ATOM 0 HA VAL A 80 22.522 -0.136 4.151 1.00 0.00 H new ATOM 0 HB VAL A 80 25.515 0.451 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 80 25.830 -1.481 2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.060 -1.946 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.080 -1.798 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.507 0.784 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.734 0.633 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.510 1.993 2.764 1.00 0.00 H new ATOM 1194 N TYR A 81 23.082 -1.701 6.046 1.00 0.00 N ATOM 1195 CA TYR A 81 23.235 -2.630 7.171 1.00 0.00 C ATOM 1196 C TYR A 81 24.352 -3.628 6.811 1.00 0.00 C ATOM 1197 O TYR A 81 24.109 -4.632 6.127 1.00 0.00 O ATOM 1198 CB TYR A 81 21.882 -3.353 7.459 1.00 0.00 C ATOM 1199 CG TYR A 81 20.730 -2.390 7.811 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.039 -1.688 6.812 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.344 -2.174 9.134 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.021 -0.816 7.123 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.320 -1.303 9.446 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.662 -0.628 8.438 1.00 0.00 C ATOM 1205 OH TYR A 81 17.634 0.231 8.745 1.00 0.00 O ATOM 0 H TYR A 81 22.567 -2.106 5.265 1.00 0.00 H new ATOM 0 HA TYR A 81 23.509 -2.097 8.081 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.600 -3.939 6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.022 -4.054 8.282 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.312 -1.835 5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.856 -2.698 9.928 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.506 -0.282 6.338 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.034 -1.150 10.476 1.00 0.00 H new ATOM 0 HH TYR A 81 17.504 0.252 9.716 1.00 0.00 H new ATOM 1215 N GLU A 82 25.590 -3.294 7.211 1.00 0.00 N ATOM 1216 CA GLU A 82 26.796 -4.074 6.871 1.00 0.00 C ATOM 1217 C GLU A 82 26.972 -5.253 7.841 1.00 0.00 C ATOM 1218 O GLU A 82 27.052 -5.066 9.058 1.00 0.00 O ATOM 1219 CB GLU A 82 28.043 -3.150 6.896 1.00 0.00 C ATOM 1220 CG GLU A 82 27.966 -1.986 5.881 1.00 0.00 C ATOM 1221 CD GLU A 82 29.079 -0.946 6.065 1.00 0.00 C ATOM 1222 OE1 GLU A 82 28.955 -0.096 6.978 1.00 0.00 O ATOM 1223 OE2 GLU A 82 30.069 -0.968 5.313 1.00 0.00 O ATOM 0 H GLU A 82 25.785 -2.472 7.782 1.00 0.00 H new ATOM 0 HA GLU A 82 26.681 -4.482 5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.162 -2.740 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.932 -3.746 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.020 -2.390 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 82 26.998 -1.493 5.976 1.00 0.00 H new ATOM 1230 N ILE A 83 27.003 -6.463 7.280 1.00 0.00 N ATOM 1231 CA ILE A 83 27.218 -7.725 8.016 1.00 0.00 C ATOM 1232 C ILE A 83 28.315 -8.546 7.308 1.00 0.00 C ATOM 1233 O ILE A 83 28.890 -8.104 6.296 1.00 0.00 O ATOM 1234 CB ILE A 83 25.897 -8.591 8.075 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.388 -8.903 6.632 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.792 -7.908 8.921 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.266 -9.906 6.558 1.00 0.00 C ATOM 0 H ILE A 83 26.877 -6.604 6.278 1.00 0.00 H new ATOM 0 HA ILE A 83 27.517 -7.475 9.034 1.00 0.00 H new ATOM 0 HB ILE A 83 26.139 -9.531 8.571 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.056 -7.973 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.225 -9.272 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.902 -8.538 8.934 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.150 -7.765 9.940 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.545 -6.940 8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.981 -10.057 5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.596 -10.853 6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.408 -9.534 7.119 1.00 0.00 H new ATOM 1249 N THR A 84 28.589 -9.749 7.834 1.00 0.00 N ATOM 1250 CA THR A 84 29.401 -10.744 7.127 1.00 0.00 C ATOM 1251 C THR A 84 28.519 -11.530 6.152 1.00 0.00 C ATOM 1252 O THR A 84 27.323 -11.725 6.400 1.00 0.00 O ATOM 1253 CB THR A 84 30.133 -11.719 8.100 1.00 0.00 C ATOM 1254 OG1 THR A 84 29.222 -12.217 9.090 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.327 -11.034 8.775 1.00 0.00 C ATOM 0 H THR A 84 28.258 -10.055 8.749 1.00 0.00 H new ATOM 0 HA THR A 84 30.174 -10.206 6.578 1.00 0.00 H new ATOM 0 HB THR A 84 30.510 -12.557 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.695 -12.829 9.692 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.818 -11.738 9.447 1.00 0.00 H new ATOM 0 HG22 THR A 84 32.035 -10.705 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.978 -10.172 9.344 1.00 0.00 H new ATOM 1263 N LEU A 85 29.127 -11.974 5.044 1.00 0.00 N ATOM 1264 CA LEU A 85 28.436 -12.755 3.994 1.00 0.00 C ATOM 1265 C LEU A 85 27.925 -14.108 4.529 1.00 0.00 C ATOM 1266 O LEU A 85 26.920 -14.640 4.044 1.00 0.00 O ATOM 1267 CB LEU A 85 29.390 -12.924 2.785 1.00 0.00 C ATOM 1268 CG LEU A 85 28.753 -13.481 1.459 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.413 -12.862 0.222 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.824 -15.019 1.395 1.00 0.00 C ATOM 0 H LEU A 85 30.113 -11.805 4.845 1.00 0.00 H new ATOM 0 HA LEU A 85 27.548 -12.213 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.839 -11.955 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.200 -13.591 3.080 1.00 0.00 H new ATOM 0 HG LEU A 85 27.701 -13.195 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 85 28.951 -13.267 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.281 -11.780 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.477 -13.098 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.374 -15.366 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.866 -15.337 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.282 -15.444 2.240 1.00 0.00 H new ATOM 1282 N GLN A 86 28.633 -14.642 5.533 1.00 0.00 N ATOM 1283 CA GLN A 86 28.240 -15.867 6.237 1.00 0.00 C ATOM 1284 C GLN A 86 26.856 -15.694 6.908 1.00 0.00 C ATOM 1285 O GLN A 86 26.014 -16.591 6.828 1.00 0.00 O ATOM 1286 CB GLN A 86 29.322 -16.227 7.286 1.00 0.00 C ATOM 1287 CG GLN A 86 29.012 -17.481 8.124 1.00 0.00 C ATOM 1288 CD GLN A 86 30.094 -17.812 9.152 1.00 0.00 C ATOM 1289 OE1 GLN A 86 31.025 -18.565 8.869 1.00 0.00 O ATOM 1290 NE2 GLN A 86 29.989 -17.234 10.342 1.00 0.00 N ATOM 0 H GLN A 86 29.500 -14.232 5.881 1.00 0.00 H new ATOM 0 HA GLN A 86 28.158 -16.682 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.272 -16.375 6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.453 -15.380 7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 86 28.063 -17.337 8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.885 -18.332 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 86 29.203 -16.615 10.541 1.00 0.00 H new ATOM 0 HE22 GLN A 86 30.694 -17.408 11.058 1.00 0.00 H new ATOM 1299 N ASP A 87 26.633 -14.506 7.525 1.00 0.00 N ATOM 1300 CA ASP A 87 25.371 -14.166 8.219 1.00 0.00 C ATOM 1301 C ASP A 87 24.195 -14.145 7.230 1.00 0.00 C ATOM 1302 O ASP A 87 23.079 -14.483 7.589 1.00 0.00 O ATOM 1303 CB ASP A 87 25.482 -12.791 8.944 1.00 0.00 C ATOM 1304 CG ASP A 87 24.376 -12.561 9.991 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.288 -13.359 10.947 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.591 -11.596 9.872 1.00 0.00 O ATOM 0 H ASP A 87 27.326 -13.758 7.554 1.00 0.00 H new ATOM 0 HA ASP A 87 25.187 -14.937 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.454 -12.723 9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.442 -11.993 8.202 1.00 0.00 H new ATOM 1311 N ALA A 88 24.480 -13.754 5.978 1.00 0.00 N ATOM 1312 CA ALA A 88 23.481 -13.690 4.890 1.00 0.00 C ATOM 1313 C ALA A 88 22.905 -15.064 4.535 1.00 0.00 C ATOM 1314 O ALA A 88 21.761 -15.169 4.096 1.00 0.00 O ATOM 1315 CB ALA A 88 24.114 -13.054 3.660 1.00 0.00 C ATOM 0 H ALA A 88 25.415 -13.471 5.686 1.00 0.00 H new ATOM 0 HA ALA A 88 22.648 -13.082 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.379 -13.006 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.451 -12.047 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.965 -13.654 3.338 1.00 0.00 H new ATOM 1321 N ILE A 89 23.720 -16.101 4.726 1.00 0.00 N ATOM 1322 CA ILE A 89 23.357 -17.487 4.413 1.00 0.00 C ATOM 1323 C ILE A 89 22.559 -18.101 5.580 1.00 0.00 C ATOM 1324 O ILE A 89 21.443 -18.601 5.393 1.00 0.00 O ATOM 1325 CB ILE A 89 24.662 -18.320 4.121 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.476 -17.652 2.961 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.338 -19.799 3.783 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.893 -18.165 2.779 1.00 0.00 C ATOM 0 H ILE A 89 24.661 -16.004 5.106 1.00 0.00 H new ATOM 0 HA ILE A 89 22.726 -17.507 3.525 1.00 0.00 H new ATOM 0 HB ILE A 89 25.268 -18.322 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.932 -17.798 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.517 -16.578 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.265 -20.339 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.820 -20.259 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.702 -19.839 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.367 -17.638 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.462 -17.993 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.868 -19.233 2.562 1.00 0.00 H new ATOM 1340 N LYS A 90 23.141 -18.034 6.791 1.00 0.00 N ATOM 1341 CA LYS A 90 22.564 -18.662 8.002 1.00 0.00 C ATOM 1342 C LYS A 90 21.320 -17.904 8.521 1.00 0.00 C ATOM 1343 O LYS A 90 20.293 -18.513 8.823 1.00 0.00 O ATOM 1344 CB LYS A 90 23.636 -18.766 9.129 1.00 0.00 C ATOM 1345 CG LYS A 90 24.329 -17.425 9.490 1.00 0.00 C ATOM 1346 CD LYS A 90 25.200 -17.499 10.762 1.00 0.00 C ATOM 1347 CE LYS A 90 26.378 -18.478 10.634 1.00 0.00 C ATOM 1348 NZ LYS A 90 27.159 -18.567 11.890 1.00 0.00 N ATOM 0 H LYS A 90 24.020 -17.546 6.961 1.00 0.00 H new ATOM 0 HA LYS A 90 22.242 -19.664 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.164 -19.168 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.398 -19.482 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.951 -17.111 8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.567 -16.658 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.585 -16.505 10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.577 -17.799 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.002 -19.466 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 90 27.031 -18.157 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 27.944 -19.237 11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.539 -17.629 12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 26.542 -18.898 12.659 1.00 0.00 H new ATOM 1362 N ASN A 91 21.418 -16.571 8.584 1.00 0.00 N ATOM 1363 CA ASN A 91 20.427 -15.695 9.247 1.00 0.00 C ATOM 1364 C ASN A 91 19.622 -14.898 8.201 1.00 0.00 C ATOM 1365 O ASN A 91 19.074 -13.861 8.526 1.00 0.00 O ATOM 1366 CB ASN A 91 21.178 -14.719 10.204 1.00 0.00 C ATOM 1367 CG ASN A 91 20.265 -13.942 11.170 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.320 -14.489 11.739 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.490 -12.645 11.292 1.00 0.00 N ATOM 0 H ASN A 91 22.197 -16.057 8.172 1.00 0.00 H new ATOM 0 HA ASN A 91 19.728 -16.307 9.817 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.902 -15.288 10.787 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.742 -14.005 9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.873 -12.072 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.280 -12.217 10.810 1.00 0.00 H new ATOM 1376 N ALA A 92 19.538 -15.417 6.964 1.00 0.00 N ATOM 1377 CA ALA A 92 18.877 -14.741 5.814 1.00 0.00 C ATOM 1378 C ALA A 92 17.548 -14.051 6.182 1.00 0.00 C ATOM 1379 O ALA A 92 17.425 -12.806 6.118 1.00 0.00 O ATOM 1380 CB ALA A 92 18.643 -15.765 4.711 1.00 0.00 C ATOM 0 H ALA A 92 19.929 -16.328 6.723 1.00 0.00 H new ATOM 0 HA ALA A 92 19.545 -13.948 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.159 -15.282 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.598 -16.183 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.004 -16.564 5.086 1.00 0.00 H new ATOM 1386 N ALA A 93 16.589 -14.874 6.628 1.00 0.00 N ATOM 1387 CA ALA A 93 15.262 -14.415 7.030 1.00 0.00 C ATOM 1388 C ALA A 93 15.353 -13.481 8.235 1.00 0.00 C ATOM 1389 O ALA A 93 14.633 -12.486 8.283 1.00 0.00 O ATOM 1390 CB ALA A 93 14.356 -15.614 7.320 1.00 0.00 C ATOM 0 H ALA A 93 16.718 -15.882 6.719 1.00 0.00 H new ATOM 0 HA ALA A 93 14.823 -13.848 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.369 -15.260 7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.266 -16.227 6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.787 -16.210 8.125 1.00 0.00 H new ATOM 1396 N GLY A 94 16.304 -13.789 9.148 1.00 0.00 N ATOM 1397 CA GLY A 94 16.511 -13.032 10.376 1.00 0.00 C ATOM 1398 C GLY A 94 16.883 -11.584 10.111 1.00 0.00 C ATOM 1399 O GLY A 94 16.274 -10.682 10.665 1.00 0.00 O ATOM 0 H GLY A 94 16.945 -14.575 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.603 -13.066 10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.299 -13.505 10.962 1.00 0.00 H new ATOM 1403 N ILE A 95 17.852 -11.386 9.208 1.00 0.00 N ATOM 1404 CA ILE A 95 18.365 -10.069 8.811 1.00 0.00 C ATOM 1405 C ILE A 95 17.225 -9.190 8.288 1.00 0.00 C ATOM 1406 O ILE A 95 16.968 -8.121 8.843 1.00 0.00 O ATOM 1407 CB ILE A 95 19.462 -10.227 7.699 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.651 -11.101 8.201 1.00 0.00 C ATOM 1409 CG2 ILE A 95 19.980 -8.850 7.197 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.423 -11.755 7.092 1.00 0.00 C ATOM 0 H ILE A 95 18.312 -12.156 8.722 1.00 0.00 H new ATOM 0 HA ILE A 95 18.808 -9.593 9.686 1.00 0.00 H new ATOM 0 HB ILE A 95 18.989 -10.733 6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.328 -10.478 8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.268 -11.872 8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.737 -9.004 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.150 -8.279 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.416 -8.299 8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.235 -12.347 7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.760 -12.404 6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.836 -10.989 6.435 1.00 0.00 H new ATOM 1422 N ILE A 96 16.535 -9.687 7.238 1.00 0.00 N ATOM 1423 CA ILE A 96 15.448 -8.944 6.579 1.00 0.00 C ATOM 1424 C ILE A 96 14.346 -8.544 7.591 1.00 0.00 C ATOM 1425 O ILE A 96 14.010 -7.362 7.685 1.00 0.00 O ATOM 1426 CB ILE A 96 14.849 -9.753 5.351 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.766 -9.609 4.082 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.401 -9.334 5.000 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.077 -10.354 4.123 1.00 0.00 C ATOM 0 H ILE A 96 16.716 -10.604 6.830 1.00 0.00 H new ATOM 0 HA ILE A 96 15.875 -8.024 6.180 1.00 0.00 H new ATOM 0 HB ILE A 96 14.819 -10.797 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.204 -9.950 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.977 -8.551 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.047 -9.922 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.753 -9.509 5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.381 -8.276 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.623 -10.180 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.671 -10.000 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.886 -11.421 4.237 1.00 0.00 H new ATOM 1441 N LYS A 97 13.834 -9.525 8.379 1.00 0.00 N ATOM 1442 CA LYS A 97 12.724 -9.276 9.337 1.00 0.00 C ATOM 1443 C LYS A 97 13.137 -8.316 10.467 1.00 0.00 C ATOM 1444 O LYS A 97 12.300 -7.576 10.985 1.00 0.00 O ATOM 1445 CB LYS A 97 12.129 -10.609 9.908 1.00 0.00 C ATOM 1446 CG LYS A 97 13.091 -11.519 10.739 1.00 0.00 C ATOM 1447 CD LYS A 97 13.257 -11.142 12.238 1.00 0.00 C ATOM 1448 CE LYS A 97 11.951 -11.226 13.040 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.163 -10.891 14.473 1.00 0.00 N ATOM 0 H LYS A 97 14.169 -10.488 8.371 1.00 0.00 H new ATOM 0 HA LYS A 97 11.933 -8.785 8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.275 -10.357 10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.747 -11.195 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.729 -12.546 10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.074 -11.500 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.995 -11.804 12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.652 -10.129 12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.216 -10.544 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.538 -12.231 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.694 -11.603 15.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.182 -10.883 14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.762 -9.953 14.673 1.00 0.00 H new ATOM 1463 N GLU A 98 14.436 -8.350 10.846 1.00 0.00 N ATOM 1464 CA GLU A 98 14.992 -7.458 11.883 1.00 0.00 C ATOM 1465 C GLU A 98 14.985 -6.009 11.393 1.00 0.00 C ATOM 1466 O GLU A 98 14.705 -5.096 12.167 1.00 0.00 O ATOM 1467 CB GLU A 98 16.432 -7.886 12.305 1.00 0.00 C ATOM 1468 CG GLU A 98 16.505 -9.094 13.268 1.00 0.00 C ATOM 1469 CD GLU A 98 15.778 -8.865 14.605 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.318 -8.137 15.462 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.677 -9.422 14.808 1.00 0.00 O ATOM 0 H GLU A 98 15.120 -8.991 10.444 1.00 0.00 H new ATOM 0 HA GLU A 98 14.357 -7.539 12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.001 -8.124 11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.923 -7.035 12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.075 -9.966 12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.551 -9.325 13.468 1.00 0.00 H new ATOM 1478 N ILE A 99 15.256 -5.807 10.092 1.00 0.00 N ATOM 1479 CA ILE A 99 15.326 -4.458 9.507 1.00 0.00 C ATOM 1480 C ILE A 99 13.902 -3.920 9.315 1.00 0.00 C ATOM 1481 O ILE A 99 13.630 -2.738 9.531 1.00 0.00 O ATOM 1482 CB ILE A 99 16.084 -4.466 8.135 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.513 -5.087 8.286 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.167 -3.036 7.553 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.174 -5.453 6.967 1.00 0.00 C ATOM 0 H ILE A 99 15.430 -6.560 9.427 1.00 0.00 H new ATOM 0 HA ILE A 99 15.882 -3.813 10.188 1.00 0.00 H new ATOM 0 HB ILE A 99 15.520 -5.088 7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.151 -4.379 8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.445 -5.981 8.906 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.696 -3.061 6.601 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.161 -2.647 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.703 -2.390 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.160 -5.876 7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.560 -6.186 6.443 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.277 -4.559 6.351 1.00 0.00 H new ATOM 1497 N GLU A 100 13.014 -4.844 8.930 1.00 0.00 N ATOM 1498 CA GLU A 100 11.586 -4.593 8.743 1.00 0.00 C ATOM 1499 C GLU A 100 10.948 -4.055 10.018 1.00 0.00 C ATOM 1500 O GLU A 100 10.326 -3.005 9.982 1.00 0.00 O ATOM 1501 CB GLU A 100 10.893 -5.904 8.275 1.00 0.00 C ATOM 1502 CG GLU A 100 11.178 -6.260 6.802 1.00 0.00 C ATOM 1503 CD GLU A 100 10.290 -5.472 5.822 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.536 -4.262 5.612 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.325 -6.045 5.265 1.00 0.00 O ATOM 0 H GLU A 100 13.278 -5.810 8.736 1.00 0.00 H new ATOM 0 HA GLU A 100 11.456 -3.829 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.223 -6.726 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.816 -5.806 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.226 -6.059 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.019 -7.328 6.653 1.00 0.00 H new ATOM 1512 N GLU A 101 11.145 -4.767 11.144 1.00 0.00 N ATOM 1513 CA GLU A 101 10.543 -4.379 12.428 1.00 0.00 C ATOM 1514 C GLU A 101 11.183 -3.099 12.987 1.00 0.00 C ATOM 1515 O GLU A 101 10.493 -2.313 13.613 1.00 0.00 O ATOM 1516 CB GLU A 101 10.612 -5.523 13.469 1.00 0.00 C ATOM 1517 CG GLU A 101 12.030 -5.978 13.856 1.00 0.00 C ATOM 1518 CD GLU A 101 12.038 -6.955 15.032 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.748 -8.150 14.824 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.302 -6.522 16.174 1.00 0.00 O ATOM 0 H GLU A 101 11.715 -5.611 11.188 1.00 0.00 H new ATOM 0 HA GLU A 101 9.491 -4.174 12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.093 -5.202 14.372 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.067 -6.382 13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.503 -6.449 12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.630 -5.105 14.111 1.00 0.00 H new ATOM 1527 N MET A 102 12.498 -2.893 12.743 1.00 0.00 N ATOM 1528 CA MET A 102 13.212 -1.685 13.214 1.00 0.00 C ATOM 1529 C MET A 102 12.659 -0.419 12.528 1.00 0.00 C ATOM 1530 O MET A 102 12.188 0.508 13.209 1.00 0.00 O ATOM 1531 CB MET A 102 14.754 -1.807 12.999 1.00 0.00 C ATOM 1532 CG MET A 102 15.478 -2.711 14.021 1.00 0.00 C ATOM 1533 SD MET A 102 17.287 -2.669 13.873 1.00 0.00 S ATOM 1534 CE MET A 102 17.572 -3.282 12.211 1.00 0.00 C ATOM 0 H MET A 102 13.084 -3.547 12.224 1.00 0.00 H new ATOM 0 HA MET A 102 13.038 -1.598 14.286 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.938 -2.195 11.997 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.193 -0.810 13.041 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.197 -2.404 15.028 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.135 -3.738 13.893 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.644 -3.385 12.040 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.091 -4.253 12.094 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.155 -2.581 11.488 1.00 0.00 H new ATOM 1544 N ILE A 103 12.693 -0.414 11.181 1.00 0.00 N ATOM 1545 CA ILE A 103 12.219 0.725 10.368 1.00 0.00 C ATOM 1546 C ILE A 103 10.699 0.944 10.552 1.00 0.00 C ATOM 1547 O ILE A 103 10.248 2.090 10.650 1.00 0.00 O ATOM 1548 CB ILE A 103 12.565 0.535 8.834 1.00 0.00 C ATOM 1549 CG1 ILE A 103 14.111 0.403 8.632 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.990 1.688 7.960 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.569 0.293 7.178 1.00 0.00 C ATOM 0 H ILE A 103 13.048 -1.194 10.628 1.00 0.00 H new ATOM 0 HA ILE A 103 12.744 1.612 10.722 1.00 0.00 H new ATOM 0 HB ILE A 103 12.089 -0.388 8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.596 1.268 9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.458 -0.477 9.173 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.251 1.518 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.905 1.717 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.411 2.638 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.655 0.206 7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.120 -0.589 6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.259 1.183 6.631 1.00 0.00 H new ATOM 1563 N ALA A 104 9.927 -0.162 10.626 1.00 0.00 N ATOM 1564 CA ALA A 104 8.461 -0.101 10.807 1.00 0.00 C ATOM 1565 C ALA A 104 8.089 0.443 12.194 1.00 0.00 C ATOM 1566 O ALA A 104 7.148 1.209 12.310 1.00 0.00 O ATOM 1567 CB ALA A 104 7.791 -1.464 10.569 1.00 0.00 C ATOM 0 H ALA A 104 10.297 -1.110 10.563 1.00 0.00 H new ATOM 0 HA ALA A 104 8.083 0.590 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.715 -1.370 10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.993 -1.796 9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.189 -2.193 11.274 1.00 0.00 H new ATOM 1573 N SER A 105 8.863 0.078 13.229 1.00 0.00 N ATOM 1574 CA SER A 105 8.549 0.454 14.621 1.00 0.00 C ATOM 1575 C SER A 105 8.718 1.965 14.830 1.00 0.00 C ATOM 1576 O SER A 105 7.919 2.592 15.532 1.00 0.00 O ATOM 1577 CB SER A 105 9.435 -0.320 15.618 1.00 0.00 C ATOM 1578 OG SER A 105 9.096 -0.029 16.966 1.00 0.00 O ATOM 0 H SER A 105 9.712 -0.478 13.130 1.00 0.00 H new ATOM 0 HA SER A 105 7.508 0.190 14.807 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.331 -1.390 15.441 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.481 -0.068 15.445 1.00 0.00 H new ATOM 0 HG SER A 105 9.678 -0.539 17.567 1.00 0.00 H new ATOM 1584 N GLU A 106 9.764 2.535 14.207 1.00 0.00 N ATOM 1585 CA GLU A 106 10.084 3.968 14.334 1.00 0.00 C ATOM 1586 C GLU A 106 9.199 4.846 13.422 1.00 0.00 C ATOM 1587 O GLU A 106 8.928 6.001 13.767 1.00 0.00 O ATOM 1588 CB GLU A 106 11.588 4.216 14.056 1.00 0.00 C ATOM 1589 CG GLU A 106 12.078 3.717 12.690 1.00 0.00 C ATOM 1590 CD GLU A 106 13.552 4.036 12.424 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.421 3.213 12.776 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.848 5.122 11.879 1.00 0.00 O ATOM 0 H GLU A 106 10.407 2.020 13.606 1.00 0.00 H new ATOM 0 HA GLU A 106 9.867 4.261 15.361 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.786 5.285 14.129 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.173 3.730 14.837 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.930 2.639 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.469 4.167 11.906 1.00 0.00 H new ATOM 1599 N GLN A 107 8.748 4.308 12.268 1.00 0.00 N ATOM 1600 CA GLN A 107 7.912 5.076 11.307 1.00 0.00 C ATOM 1601 C GLN A 107 6.417 5.014 11.693 1.00 0.00 C ATOM 1602 O GLN A 107 5.657 5.940 11.391 1.00 0.00 O ATOM 1603 CB GLN A 107 8.130 4.573 9.851 1.00 0.00 C ATOM 1604 CG GLN A 107 7.503 3.201 9.523 1.00 0.00 C ATOM 1605 CD GLN A 107 7.787 2.677 8.106 1.00 0.00 C ATOM 1606 OE1 GLN A 107 8.961 2.975 7.562 1.00 0.00 O flip ATOM 1607 NE2 GLN A 107 6.963 1.976 7.519 1.00 0.00 N flip ATOM 0 H GLN A 107 8.945 3.351 11.976 1.00 0.00 H new ATOM 0 HA GLN A 107 8.226 6.119 11.354 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.721 5.314 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.202 4.518 9.660 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.869 2.470 10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.424 3.270 9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.069 1.763 7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.175 1.609 6.591 1.00 0.00 H new ATOM 1616 N GLN A 108 6.006 3.912 12.354 1.00 0.00 N ATOM 1617 CA GLN A 108 4.620 3.707 12.811 1.00 0.00 C ATOM 1618 C GLN A 108 4.511 4.136 14.286 1.00 0.00 C ATOM 1619 O GLN A 108 3.922 5.200 14.569 1.00 0.00 O ATOM 1620 CB GLN A 108 4.194 2.222 12.633 1.00 0.00 C ATOM 1621 CG GLN A 108 4.200 1.712 11.172 1.00 0.00 C ATOM 1622 CD GLN A 108 3.770 0.241 11.014 1.00 0.00 C ATOM 1623 OE1 GLN A 108 4.255 -0.470 10.127 1.00 0.00 O ATOM 1624 NE2 GLN A 108 2.823 -0.215 11.825 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.061 3.427 15.159 1.00 0.00 O ATOM 0 H GLN A 108 6.629 3.139 12.585 1.00 0.00 H new ATOM 0 HA GLN A 108 3.946 4.315 12.208 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.861 1.595 13.224 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.192 2.095 13.042 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.535 2.339 10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 108 5.203 1.832 10.761 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.438 0.390 12.550 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.481 -1.171 11.723 1.00 0.00 H new