USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 521 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 56 HIS : no HE2:sc= -0.426 K(o=-11,f=-3.5!) USER MOD Set 1.2: A 60 HIS : no HE2:sc= -10.2! C(o=-11!,f=-3.5!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 23 GLN : amide:sc= 0.158 K(o=1.4,f=-7.2) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0457 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.144 K(o=0.14,f=-1.1) USER MOD Single : A 4 MET CE :methyl 167:sc= -0.0585 (180deg=-0.303) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= -0.0211 (180deg=-0.149) USER MOD Single : A 16 MET CE :methyl -161:sc= -0.534 (180deg=-1.04) USER MOD Single : A 20 ASN : amide:sc=-0.00439 K(o=-0.0044,f=-0.85) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -41:sc= 0.657 USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 0.0513 (180deg=-0.115) USER MOD Single : A 32 SER OG : rot 61:sc= 1.23 USER MOD Single : A 33 HIS : no HD1:sc= -3.58! K(o=-3.6!,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 172:sc= -0.775 (180deg=-1.12) USER MOD Single : A 41 SER OG : rot -47:sc= 0.149 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -3.11! C(o=-3.1!,f=-2!) USER MOD Single : A 51 GLN : amide:sc= 0.488 K(o=0.49,f=-6.5!) USER MOD Single : A 58 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.35) USER MOD Single : A 59 THR OG1 : rot -28:sc= 1.23 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.005) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.090 -4.392 0.918 1.00 0.00 N ATOM 2 CA GLY A 1 34.209 -3.718 2.205 1.00 0.00 C ATOM 3 C GLY A 1 32.927 -3.009 2.585 1.00 0.00 C ATOM 4 O GLY A 1 31.833 -3.492 2.243 1.00 0.00 O ATOM 0 H1 GLY A 1 34.509 -5.342 0.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.086 -4.474 0.661 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.590 -3.842 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.464 -4.446 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.026 -2.997 2.164 1.00 0.00 H new ATOM 10 N PRO A 2 33.022 -1.856 3.294 1.00 0.00 N ATOM 11 CA PRO A 2 31.857 -1.080 3.729 1.00 0.00 C ATOM 12 C PRO A 2 31.039 -0.569 2.550 1.00 0.00 C ATOM 13 O PRO A 2 31.519 0.234 1.721 1.00 0.00 O ATOM 14 CB PRO A 2 32.458 0.096 4.518 1.00 0.00 C ATOM 15 CG PRO A 2 33.847 -0.327 4.843 1.00 0.00 C ATOM 16 CD PRO A 2 34.281 -1.223 3.724 1.00 0.00 C ATOM 0 HA PRO A 2 31.170 -1.685 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 2 32.453 1.012 3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 2 31.885 0.298 5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 2 34.507 0.536 4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 2 33.881 -0.851 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 2 34.746 -0.660 2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 2 35.010 -1.961 4.059 1.00 0.00 H new ATOM 24 N HIS A 3 29.826 -1.031 2.469 1.00 0.00 N ATOM 25 CA HIS A 3 28.942 -0.688 1.388 1.00 0.00 C ATOM 26 C HIS A 3 27.745 0.117 1.882 1.00 0.00 C ATOM 27 O HIS A 3 26.935 -0.354 2.693 1.00 0.00 O ATOM 28 CB HIS A 3 28.538 -1.948 0.568 1.00 0.00 C ATOM 29 CG HIS A 3 28.019 -3.121 1.373 1.00 0.00 C ATOM 30 ND1 HIS A 3 28.835 -4.070 1.967 1.00 0.00 N ATOM 31 CD2 HIS A 3 26.749 -3.497 1.658 1.00 0.00 C ATOM 32 CE1 HIS A 3 28.055 -4.966 2.575 1.00 0.00 C ATOM 33 NE2 HIS A 3 26.770 -4.667 2.417 1.00 0.00 N ATOM 0 H HIS A 3 29.416 -1.663 3.157 1.00 0.00 H new ATOM 0 HA HIS A 3 29.481 -0.036 0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 3 27.773 -1.659 -0.152 1.00 0.00 H new ATOM 0 HB3 HIS A 3 29.405 -2.279 -0.004 1.00 0.00 H new ATOM 0 HD1 HIS A 3 29.855 -4.082 1.944 1.00 0.00 H new ATOM 0 HD2 HIS A 3 25.858 -2.972 1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 3 28.420 -5.822 3.123 1.00 0.00 H new ATOM 41 N MET A 4 27.679 1.342 1.431 1.00 0.00 N ATOM 42 CA MET A 4 26.628 2.260 1.775 1.00 0.00 C ATOM 43 C MET A 4 25.762 2.504 0.557 1.00 0.00 C ATOM 44 O MET A 4 26.113 3.288 -0.331 1.00 0.00 O ATOM 45 CB MET A 4 27.209 3.583 2.314 1.00 0.00 C ATOM 46 CG MET A 4 26.167 4.663 2.613 1.00 0.00 C ATOM 47 SD MET A 4 24.924 4.156 3.827 1.00 0.00 S ATOM 48 CE MET A 4 25.936 3.849 5.276 1.00 0.00 C ATOM 0 H MET A 4 28.374 1.738 0.798 1.00 0.00 H new ATOM 0 HA MET A 4 26.017 1.826 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 4 27.768 3.374 3.226 1.00 0.00 H new ATOM 0 HB3 MET A 4 27.920 3.975 1.587 1.00 0.00 H new ATOM 0 HG2 MET A 4 26.676 5.555 2.978 1.00 0.00 H new ATOM 0 HG3 MET A 4 25.665 4.938 1.685 1.00 0.00 H new ATOM 0 HE1 MET A 4 25.296 3.756 6.154 1.00 0.00 H new ATOM 0 HE2 MET A 4 26.499 2.926 5.138 1.00 0.00 H new ATOM 0 HE3 MET A 4 26.629 4.678 5.418 1.00 0.00 H new ATOM 58 N ASP A 5 24.690 1.782 0.488 1.00 0.00 N ATOM 59 CA ASP A 5 23.752 1.891 -0.593 1.00 0.00 C ATOM 60 C ASP A 5 22.407 2.152 -0.023 1.00 0.00 C ATOM 61 O ASP A 5 21.937 1.413 0.832 1.00 0.00 O ATOM 62 CB ASP A 5 23.696 0.617 -1.444 1.00 0.00 C ATOM 63 CG ASP A 5 24.959 0.342 -2.215 1.00 0.00 C ATOM 64 OD1 ASP A 5 25.911 -0.216 -1.647 1.00 0.00 O ATOM 65 OD2 ASP A 5 25.013 0.652 -3.420 1.00 0.00 O1- ATOM 0 H ASP A 5 24.434 1.088 1.190 1.00 0.00 H new ATOM 0 HA ASP A 5 24.074 2.706 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 5 23.486 -0.233 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 5 22.864 0.696 -2.144 1.00 0.00 H new ATOM 70 N VAL A 6 21.784 3.188 -0.494 1.00 0.00 N ATOM 71 CA VAL A 6 20.473 3.586 -0.045 1.00 0.00 C ATOM 72 C VAL A 6 19.586 3.424 -1.237 1.00 0.00 C ATOM 73 O VAL A 6 18.540 4.044 -1.381 1.00 0.00 O ATOM 74 CB VAL A 6 20.464 5.071 0.467 1.00 0.00 C ATOM 75 CG1 VAL A 6 19.163 5.421 1.191 1.00 0.00 C ATOM 76 CG2 VAL A 6 21.663 5.355 1.371 1.00 0.00 C ATOM 0 H VAL A 6 22.174 3.796 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 6 20.139 2.982 0.798 1.00 0.00 H new ATOM 0 HB VAL A 6 20.536 5.705 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 6 19.201 6.457 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 6 18.322 5.291 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 19.038 4.764 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 6 21.627 6.391 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 6 21.633 4.691 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 6 22.586 5.186 0.816 1.00 0.00 H new ATOM 86 N HIS A 7 19.992 2.511 -2.087 1.00 0.00 N ATOM 87 CA HIS A 7 19.272 2.286 -3.291 1.00 0.00 C ATOM 88 C HIS A 7 18.093 1.365 -3.055 1.00 0.00 C ATOM 89 O HIS A 7 17.305 1.078 -3.956 1.00 0.00 O ATOM 90 CB HIS A 7 20.159 1.805 -4.445 1.00 0.00 C ATOM 91 CG HIS A 7 21.156 2.820 -4.925 1.00 0.00 C ATOM 92 ND1 HIS A 7 20.899 3.732 -5.924 1.00 0.00 N ATOM 93 CD2 HIS A 7 22.435 3.050 -4.531 1.00 0.00 C ATOM 94 CE1 HIS A 7 21.993 4.470 -6.103 1.00 0.00 C ATOM 95 NE2 HIS A 7 22.965 4.097 -5.282 1.00 0.00 N ATOM 0 H HIS A 7 20.814 1.921 -1.957 1.00 0.00 H new ATOM 0 HA HIS A 7 18.883 3.254 -3.608 1.00 0.00 H new ATOM 0 HB2 HIS A 7 20.694 0.910 -4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 7 19.522 1.516 -5.281 1.00 0.00 H new ATOM 0 HD2 HIS A 7 22.959 2.507 -3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 7 22.078 5.269 -6.824 1.00 0.00 H new ATOM 0 HE2 HIS A 7 23.903 4.493 -5.214 1.00 0.00 H new ATOM 103 N LYS A 8 17.979 0.919 -1.841 1.00 0.00 N ATOM 104 CA LYS A 8 16.901 0.070 -1.439 1.00 0.00 C ATOM 105 C LYS A 8 16.071 0.807 -0.428 1.00 0.00 C ATOM 106 O LYS A 8 16.347 0.765 0.761 1.00 0.00 O ATOM 107 CB LYS A 8 17.404 -1.256 -0.840 1.00 0.00 C ATOM 108 CG LYS A 8 18.345 -2.046 -1.735 1.00 0.00 C ATOM 109 CD LYS A 8 17.701 -2.396 -3.056 1.00 0.00 C ATOM 110 CE LYS A 8 18.676 -3.110 -3.968 1.00 0.00 C ATOM 111 NZ LYS A 8 18.083 -3.392 -5.286 1.00 0.00 N1+ ATOM 0 H LYS A 8 18.639 1.137 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 8 16.307 -0.181 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.913 -1.043 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.543 -1.880 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.250 -1.465 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.649 -2.960 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.831 -3.029 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.343 -1.488 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.570 -2.499 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.991 -4.044 -3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.837 -3.460 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.562 -4.291 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.430 -2.625 -5.544 1.00 0.00 H new ATOM 125 N LYS A 9 15.142 1.576 -0.901 1.00 0.00 N ATOM 126 CA LYS A 9 14.248 2.275 -0.034 1.00 0.00 C ATOM 127 C LYS A 9 12.858 2.102 -0.524 1.00 0.00 C ATOM 128 O LYS A 9 12.629 2.007 -1.737 1.00 0.00 O ATOM 129 CB LYS A 9 14.573 3.774 0.023 1.00 0.00 C ATOM 130 CG LYS A 9 14.465 4.457 -1.320 1.00 0.00 C ATOM 131 CD LYS A 9 14.884 5.885 -1.261 1.00 0.00 C ATOM 132 CE LYS A 9 14.609 6.598 -2.579 1.00 0.00 C ATOM 133 NZ LYS A 9 15.267 5.938 -3.725 1.00 0.00 N1+ ATOM 0 H LYS A 9 14.982 1.737 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 9 14.358 1.862 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.896 4.260 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.583 3.906 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.084 3.928 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.436 4.397 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.352 6.389 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.947 5.945 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.533 6.633 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.955 7.629 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.164 6.531 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.277 5.805 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.824 5.013 -3.894 1.00 0.00 H new ATOM 147 N CYS A 10 11.957 1.995 0.404 1.00 0.00 N ATOM 148 CA CYS A 10 10.553 2.005 0.120 1.00 0.00 C ATOM 149 C CYS A 10 10.239 3.388 -0.368 1.00 0.00 C ATOM 150 O CYS A 10 10.289 4.327 0.417 1.00 0.00 O ATOM 151 CB CYS A 10 9.816 1.738 1.409 1.00 0.00 C ATOM 152 SG CYS A 10 7.991 1.841 1.412 1.00 0.00 S ATOM 0 H CYS A 10 12.179 1.897 1.395 1.00 0.00 H new ATOM 0 HA CYS A 10 10.267 1.256 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.092 0.739 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.188 2.441 2.155 1.00 0.00 H new ATOM 157 N PRO A 11 9.910 3.559 -1.648 1.00 0.00 N ATOM 158 CA PRO A 11 9.689 4.886 -2.219 1.00 0.00 C ATOM 159 C PRO A 11 8.363 5.491 -1.750 1.00 0.00 C ATOM 160 O PRO A 11 7.962 6.573 -2.171 1.00 0.00 O ATOM 161 CB PRO A 11 9.676 4.626 -3.733 1.00 0.00 C ATOM 162 CG PRO A 11 9.274 3.198 -3.889 1.00 0.00 C ATOM 163 CD PRO A 11 9.721 2.478 -2.648 1.00 0.00 C ATOM 0 HA PRO A 11 10.451 5.604 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.974 5.289 -4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.658 4.807 -4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.195 3.113 -4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.735 2.762 -4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.976 1.755 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.646 1.927 -2.819 1.00 0.00 H new ATOM 171 N LEU A 12 7.695 4.758 -0.884 1.00 0.00 N ATOM 172 CA LEU A 12 6.422 5.129 -0.350 1.00 0.00 C ATOM 173 C LEU A 12 6.549 5.790 1.022 1.00 0.00 C ATOM 174 O LEU A 12 5.716 6.610 1.393 1.00 0.00 O ATOM 175 CB LEU A 12 5.501 3.896 -0.283 1.00 0.00 C ATOM 176 CG LEU A 12 4.970 3.351 -1.631 1.00 0.00 C ATOM 177 CD1 LEU A 12 6.056 2.896 -2.577 1.00 0.00 C ATOM 178 CD2 LEU A 12 3.978 2.246 -1.432 1.00 0.00 C ATOM 0 H LEU A 12 8.040 3.866 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 12 5.980 5.868 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.042 3.094 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.645 4.144 0.345 1.00 0.00 H new ATOM 0 HG LEU A 12 4.474 4.202 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.605 2.528 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.715 3.734 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.633 2.097 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.629 1.891 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.451 1.425 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.131 2.617 -0.856 1.00 0.00 H new ATOM 190 N CYS A 13 7.571 5.427 1.784 1.00 0.00 N ATOM 191 CA CYS A 13 7.742 6.045 3.113 1.00 0.00 C ATOM 192 C CYS A 13 9.153 6.550 3.343 1.00 0.00 C ATOM 193 O CYS A 13 9.404 7.313 4.286 1.00 0.00 O ATOM 194 CB CYS A 13 7.362 5.077 4.232 1.00 0.00 C ATOM 195 SG CYS A 13 8.464 3.649 4.486 1.00 0.00 S ATOM 0 H CYS A 13 8.276 4.735 1.528 1.00 0.00 H new ATOM 0 HA CYS A 13 7.068 6.902 3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.311 5.638 5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.359 4.701 4.031 1.00 0.00 H new ATOM 200 N GLU A 14 10.048 6.128 2.475 1.00 0.00 N ATOM 201 CA GLU A 14 11.479 6.397 2.568 1.00 0.00 C ATOM 202 C GLU A 14 12.048 5.707 3.791 1.00 0.00 C ATOM 203 O GLU A 14 12.181 6.294 4.874 1.00 0.00 O ATOM 204 CB GLU A 14 11.814 7.899 2.550 1.00 0.00 C ATOM 205 CG GLU A 14 11.362 8.626 1.295 1.00 0.00 C ATOM 206 CD GLU A 14 12.059 8.139 0.057 1.00 0.00 C ATOM 207 OE1 GLU A 14 13.191 8.606 -0.220 1.00 0.00 O ATOM 208 OE2 GLU A 14 11.493 7.329 -0.684 1.00 0.00 O1- ATOM 0 H GLU A 14 9.799 5.571 1.658 1.00 0.00 H new ATOM 0 HA GLU A 14 11.952 5.987 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.352 8.373 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.892 8.020 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.286 8.499 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.545 9.694 1.413 1.00 0.00 H new ATOM 215 N LEU A 15 12.258 4.434 3.643 1.00 0.00 N ATOM 216 CA LEU A 15 12.842 3.616 4.660 1.00 0.00 C ATOM 217 C LEU A 15 13.962 2.875 4.005 1.00 0.00 C ATOM 218 O LEU A 15 13.759 2.292 2.937 1.00 0.00 O ATOM 219 CB LEU A 15 11.830 2.613 5.206 1.00 0.00 C ATOM 220 CG LEU A 15 12.317 1.754 6.374 1.00 0.00 C ATOM 221 CD1 LEU A 15 12.418 2.562 7.632 1.00 0.00 C ATOM 222 CD2 LEU A 15 11.404 0.602 6.593 1.00 0.00 C ATOM 0 H LEU A 15 12.022 3.924 2.792 1.00 0.00 H new ATOM 0 HA LEU A 15 13.182 4.229 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.941 3.157 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.526 1.952 4.394 1.00 0.00 H new ATOM 0 HG LEU A 15 13.309 1.381 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.766 1.926 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.123 3.380 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.438 2.968 7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.768 0.003 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.403 0.969 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.371 -0.012 5.693 1.00 0.00 H new ATOM 234 N MET A 16 15.104 2.894 4.615 1.00 0.00 N ATOM 235 CA MET A 16 16.281 2.317 4.059 1.00 0.00 C ATOM 236 C MET A 16 16.379 0.836 4.378 1.00 0.00 C ATOM 237 O MET A 16 16.127 0.407 5.506 1.00 0.00 O ATOM 238 CB MET A 16 17.505 3.060 4.597 1.00 0.00 C ATOM 239 CG MET A 16 18.813 2.516 4.098 1.00 0.00 C ATOM 240 SD MET A 16 20.239 3.467 4.663 1.00 0.00 S ATOM 241 CE MET A 16 21.573 2.476 3.996 1.00 0.00 C ATOM 0 H MET A 16 15.245 3.320 5.531 1.00 0.00 H new ATOM 0 HA MET A 16 16.238 2.413 2.974 1.00 0.00 H new ATOM 0 HB2 MET A 16 17.430 4.112 4.320 1.00 0.00 H new ATOM 0 HB3 MET A 16 17.496 3.016 5.686 1.00 0.00 H new ATOM 0 HG2 MET A 16 18.919 1.483 4.428 1.00 0.00 H new ATOM 0 HG3 MET A 16 18.802 2.503 3.008 1.00 0.00 H new ATOM 0 HE1 MET A 16 22.500 2.714 4.518 1.00 0.00 H new ATOM 0 HE2 MET A 16 21.343 1.419 4.129 1.00 0.00 H new ATOM 0 HE3 MET A 16 21.690 2.691 2.934 1.00 0.00 H new ATOM 251 N PHE A 17 16.698 0.074 3.378 1.00 0.00 N ATOM 252 CA PHE A 17 16.945 -1.327 3.506 1.00 0.00 C ATOM 253 C PHE A 17 18.339 -1.606 2.952 1.00 0.00 C ATOM 254 O PHE A 17 18.830 -0.837 2.114 1.00 0.00 O ATOM 255 CB PHE A 17 15.903 -2.145 2.725 1.00 0.00 C ATOM 256 CG PHE A 17 14.488 -1.957 3.183 1.00 0.00 C ATOM 257 CD1 PHE A 17 14.053 -2.506 4.380 1.00 0.00 C ATOM 258 CD2 PHE A 17 13.594 -1.237 2.417 1.00 0.00 C ATOM 259 CE1 PHE A 17 12.748 -2.336 4.799 1.00 0.00 C ATOM 260 CE2 PHE A 17 12.292 -1.068 2.829 1.00 0.00 C ATOM 261 CZ PHE A 17 11.869 -1.617 4.019 1.00 0.00 C ATOM 0 H PHE A 17 16.796 0.420 2.424 1.00 0.00 H new ATOM 0 HA PHE A 17 16.876 -1.617 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 17 15.968 -1.878 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 17 16.158 -3.202 2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 17 14.741 -3.072 4.990 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.920 -0.801 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.418 -2.765 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 17 11.602 -0.505 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 17 10.847 -1.484 4.341 1.00 0.00 H new ATOM 271 N PRO A 18 19.014 -2.658 3.437 1.00 0.00 N ATOM 272 CA PRO A 18 20.336 -3.041 2.938 1.00 0.00 C ATOM 273 C PRO A 18 20.289 -3.426 1.448 1.00 0.00 C ATOM 274 O PRO A 18 19.280 -3.949 0.970 1.00 0.00 O ATOM 275 CB PRO A 18 20.695 -4.280 3.772 1.00 0.00 C ATOM 276 CG PRO A 18 19.811 -4.231 4.959 1.00 0.00 C ATOM 277 CD PRO A 18 18.560 -3.539 4.526 1.00 0.00 C ATOM 0 HA PRO A 18 21.054 -2.225 3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 18 20.536 -5.196 3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 18 21.745 -4.265 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.593 -5.235 5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 18 20.289 -3.693 5.777 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.808 -4.248 4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.113 -2.971 5.342 1.00 0.00 H new ATOM 285 N PRO A 19 21.379 -3.183 0.693 1.00 0.00 N ATOM 286 CA PRO A 19 21.466 -3.545 -0.734 1.00 0.00 C ATOM 287 C PRO A 19 21.288 -5.039 -1.000 1.00 0.00 C ATOM 288 O PRO A 19 20.958 -5.447 -2.125 1.00 0.00 O ATOM 289 CB PRO A 19 22.863 -3.076 -1.155 1.00 0.00 C ATOM 290 CG PRO A 19 23.610 -2.869 0.115 1.00 0.00 C ATOM 291 CD PRO A 19 22.594 -2.486 1.149 1.00 0.00 C ATOM 0 HA PRO A 19 20.661 -3.079 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 19 23.354 -3.819 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.810 -2.154 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.138 -3.777 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 19 24.361 -2.087 0.000 1.00 0.00 H new ATOM 0 HD2 PRO A 19 22.893 -2.807 2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 19 22.448 -1.407 1.191 1.00 0.00 H new ATOM 299 N ASN A 20 21.482 -5.848 0.010 1.00 0.00 N ATOM 300 CA ASN A 20 21.322 -7.270 -0.154 1.00 0.00 C ATOM 301 C ASN A 20 20.060 -7.784 0.534 1.00 0.00 C ATOM 302 O ASN A 20 19.944 -8.975 0.830 1.00 0.00 O ATOM 303 CB ASN A 20 22.561 -8.053 0.311 1.00 0.00 C ATOM 304 CG ASN A 20 23.793 -7.778 -0.533 1.00 0.00 C ATOM 305 OD1 ASN A 20 23.696 -7.480 -1.731 1.00 0.00 O ATOM 306 ND2 ASN A 20 24.953 -7.879 0.070 1.00 0.00 N ATOM 0 H ASN A 20 21.749 -5.550 0.948 1.00 0.00 H new ATOM 0 HA ASN A 20 21.211 -7.444 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.775 -7.799 1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 20 22.340 -9.120 0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 20 25.814 -7.710 -0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.994 -8.127 1.059 1.00 0.00 H new ATOM 313 N TYR A 21 19.102 -6.902 0.765 1.00 0.00 N ATOM 314 CA TYR A 21 17.863 -7.263 1.321 1.00 0.00 C ATOM 315 C TYR A 21 17.001 -7.840 0.231 1.00 0.00 C ATOM 316 O TYR A 21 17.196 -7.552 -0.962 1.00 0.00 O ATOM 317 CB TYR A 21 17.244 -6.034 1.969 1.00 0.00 C ATOM 318 CG TYR A 21 15.859 -6.160 2.523 1.00 0.00 C ATOM 319 CD1 TYR A 21 15.632 -6.785 3.728 1.00 0.00 C ATOM 320 CD2 TYR A 21 14.793 -5.604 1.860 1.00 0.00 C ATOM 321 CE1 TYR A 21 14.358 -6.856 4.268 1.00 0.00 C ATOM 322 CE2 TYR A 21 13.518 -5.672 2.375 1.00 0.00 C ATOM 323 CZ TYR A 21 13.301 -6.294 3.579 1.00 0.00 C ATOM 324 OH TYR A 21 12.025 -6.342 4.107 1.00 0.00 O ATOM 0 H TYR A 21 19.191 -5.907 0.559 1.00 0.00 H new ATOM 0 HA TYR A 21 17.972 -8.023 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 21 17.901 -5.715 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 21 17.237 -5.233 1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 21 16.460 -7.227 4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 21 14.958 -5.104 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.193 -7.345 5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.691 -5.237 1.833 1.00 0.00 H new ATOM 0 HH TYR A 21 11.401 -5.899 3.495 1.00 0.00 H new ATOM 334 N ASP A 22 16.118 -8.669 0.637 1.00 0.00 N ATOM 335 CA ASP A 22 15.236 -9.390 -0.247 1.00 0.00 C ATOM 336 C ASP A 22 14.320 -8.455 -0.954 1.00 0.00 C ATOM 337 O ASP A 22 13.560 -7.698 -0.328 1.00 0.00 O ATOM 338 CB ASP A 22 14.379 -10.344 0.509 1.00 0.00 C ATOM 339 CG ASP A 22 13.738 -11.383 -0.372 1.00 0.00 C ATOM 340 OD1 ASP A 22 14.404 -12.367 -0.709 1.00 0.00 O ATOM 341 OD2 ASP A 22 12.537 -11.240 -0.703 1.00 0.00 O1- ATOM 0 H ASP A 22 15.970 -8.884 1.623 1.00 0.00 H new ATOM 0 HA ASP A 22 15.871 -9.924 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.981 -10.841 1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.601 -9.789 1.032 1.00 0.00 H new ATOM 346 N GLN A 23 14.363 -8.542 -2.219 1.00 0.00 N ATOM 347 CA GLN A 23 13.557 -7.754 -3.104 1.00 0.00 C ATOM 348 C GLN A 23 12.076 -7.965 -2.876 1.00 0.00 C ATOM 349 O GLN A 23 11.316 -7.020 -2.869 1.00 0.00 O ATOM 350 CB GLN A 23 13.911 -8.077 -4.533 1.00 0.00 C ATOM 351 CG GLN A 23 15.211 -7.447 -5.013 1.00 0.00 C ATOM 352 CD GLN A 23 15.176 -5.922 -5.027 1.00 0.00 C ATOM 353 OE1 GLN A 23 16.194 -5.267 -4.824 1.00 0.00 O ATOM 354 NE2 GLN A 23 14.029 -5.345 -5.300 1.00 0.00 N ATOM 0 H GLN A 23 14.983 -9.188 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 23 13.768 -6.705 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.983 -9.159 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.099 -7.745 -5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.026 -7.778 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.431 -7.807 -6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.198 -5.914 -5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.968 -4.328 -5.348 1.00 0.00 H new ATOM 363 N SER A 24 11.682 -9.175 -2.623 1.00 0.00 N ATOM 364 CA SER A 24 10.286 -9.466 -2.469 1.00 0.00 C ATOM 365 C SER A 24 9.790 -9.128 -1.078 1.00 0.00 C ATOM 366 O SER A 24 8.663 -8.707 -0.911 1.00 0.00 O ATOM 367 CB SER A 24 9.982 -10.885 -2.883 1.00 0.00 C ATOM 368 OG SER A 24 10.265 -11.042 -4.266 1.00 0.00 O ATOM 0 H SER A 24 12.304 -9.977 -2.519 1.00 0.00 H new ATOM 0 HA SER A 24 9.727 -8.819 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.579 -11.583 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.935 -11.117 -2.686 1.00 0.00 H new ATOM 0 HG SER A 24 9.965 -10.247 -4.754 1.00 0.00 H new ATOM 374 N LYS A 25 10.656 -9.251 -0.088 1.00 0.00 N ATOM 375 CA LYS A 25 10.311 -8.844 1.280 1.00 0.00 C ATOM 376 C LYS A 25 10.160 -7.322 1.321 1.00 0.00 C ATOM 377 O LYS A 25 9.430 -6.770 2.142 1.00 0.00 O ATOM 378 CB LYS A 25 11.370 -9.323 2.275 1.00 0.00 C ATOM 379 CG LYS A 25 11.617 -10.821 2.231 1.00 0.00 C ATOM 380 CD LYS A 25 10.370 -11.652 2.431 1.00 0.00 C ATOM 381 CE LYS A 25 10.639 -13.084 1.999 1.00 0.00 C ATOM 382 NZ LYS A 25 10.904 -13.180 0.528 1.00 0.00 N1+ ATOM 0 H LYS A 25 11.599 -9.626 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 25 9.367 -9.305 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.307 -8.803 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.061 -9.044 3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.063 -11.078 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.344 -11.083 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.068 -11.628 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.546 -11.235 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.495 -13.475 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.783 -13.708 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.573 -13.955 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.012 -13.366 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.311 -12.285 0.189 1.00 0.00 H new ATOM 396 N PHE A 26 10.873 -6.670 0.423 1.00 0.00 N ATOM 397 CA PHE A 26 10.760 -5.251 0.175 1.00 0.00 C ATOM 398 C PHE A 26 9.375 -4.962 -0.407 1.00 0.00 C ATOM 399 O PHE A 26 8.665 -4.087 0.065 1.00 0.00 O ATOM 400 CB PHE A 26 11.869 -4.849 -0.811 1.00 0.00 C ATOM 401 CG PHE A 26 11.762 -3.476 -1.390 1.00 0.00 C ATOM 402 CD1 PHE A 26 12.071 -2.367 -0.640 1.00 0.00 C ATOM 403 CD2 PHE A 26 11.366 -3.306 -2.711 1.00 0.00 C ATOM 404 CE1 PHE A 26 11.986 -1.111 -1.185 1.00 0.00 C ATOM 405 CE2 PHE A 26 11.277 -2.049 -3.262 1.00 0.00 C ATOM 406 CZ PHE A 26 11.586 -0.950 -2.500 1.00 0.00 C ATOM 0 H PHE A 26 11.565 -7.128 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 26 10.874 -4.676 1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.829 -4.934 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.878 -5.568 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 26 12.383 -2.485 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.125 -4.171 -3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 26 12.232 -0.246 -0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.966 -1.927 -4.289 1.00 0.00 H new ATOM 0 HZ PHE A 26 11.517 0.040 -2.926 1.00 0.00 H new ATOM 416 N GLU A 27 9.000 -5.746 -1.408 1.00 0.00 N ATOM 417 CA GLU A 27 7.703 -5.653 -2.078 1.00 0.00 C ATOM 418 C GLU A 27 6.562 -5.902 -1.099 1.00 0.00 C ATOM 419 O GLU A 27 5.523 -5.263 -1.189 1.00 0.00 O ATOM 420 CB GLU A 27 7.647 -6.621 -3.259 1.00 0.00 C ATOM 421 CG GLU A 27 8.733 -6.359 -4.279 1.00 0.00 C ATOM 422 CD GLU A 27 8.760 -7.347 -5.410 1.00 0.00 C ATOM 423 OE1 GLU A 27 9.220 -8.500 -5.224 1.00 0.00 O ATOM 424 OE2 GLU A 27 8.386 -6.978 -6.542 1.00 0.00 O1- ATOM 0 H GLU A 27 9.598 -6.480 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 27 7.584 -4.640 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.739 -7.643 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.673 -6.542 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.599 -5.358 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.700 -6.371 -3.776 1.00 0.00 H new ATOM 431 N GLU A 28 6.773 -6.811 -0.148 1.00 0.00 N ATOM 432 CA GLU A 28 5.798 -7.063 0.930 1.00 0.00 C ATOM 433 C GLU A 28 5.597 -5.816 1.719 1.00 0.00 C ATOM 434 O GLU A 28 4.486 -5.495 2.121 1.00 0.00 O ATOM 435 CB GLU A 28 6.234 -8.208 1.861 1.00 0.00 C ATOM 436 CG GLU A 28 6.555 -9.530 1.174 1.00 0.00 C ATOM 437 CD GLU A 28 5.395 -10.141 0.431 1.00 0.00 C ATOM 438 OE1 GLU A 28 5.096 -9.706 -0.697 1.00 0.00 O ATOM 439 OE2 GLU A 28 4.794 -11.114 0.932 1.00 0.00 O1- ATOM 0 H GLU A 28 7.611 -7.390 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 28 4.862 -7.368 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.114 -7.885 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.442 -8.381 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.377 -9.373 0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.906 -10.240 1.923 1.00 0.00 H new ATOM 446 N HIS A 29 6.637 -5.079 1.882 1.00 0.00 N ATOM 447 CA HIS A 29 6.533 -3.873 2.623 1.00 0.00 C ATOM 448 C HIS A 29 5.888 -2.777 1.765 1.00 0.00 C ATOM 449 O HIS A 29 5.083 -2.001 2.256 1.00 0.00 O ATOM 450 CB HIS A 29 7.890 -3.489 3.265 1.00 0.00 C ATOM 451 CG HIS A 29 8.031 -2.096 3.868 1.00 0.00 C ATOM 452 ND1 HIS A 29 8.189 -1.836 5.222 1.00 0.00 N ATOM 453 CD2 HIS A 29 8.222 -0.939 3.261 1.00 0.00 C ATOM 454 CE1 HIS A 29 8.484 -0.512 5.360 1.00 0.00 C ATOM 455 NE2 HIS A 29 8.522 0.092 4.181 1.00 0.00 N ATOM 0 H HIS A 29 7.565 -5.288 1.515 1.00 0.00 H new ATOM 0 HA HIS A 29 5.862 -4.016 3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.105 -4.215 4.049 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.663 -3.603 2.505 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.100 -2.514 5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.157 -0.797 2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.663 -0.021 6.305 1.00 0.00 H new ATOM 463 N VAL A 30 6.199 -2.770 0.479 1.00 0.00 N ATOM 464 CA VAL A 30 5.599 -1.805 -0.451 1.00 0.00 C ATOM 465 C VAL A 30 4.110 -2.056 -0.552 1.00 0.00 C ATOM 466 O VAL A 30 3.334 -1.122 -0.432 1.00 0.00 O ATOM 467 CB VAL A 30 6.284 -1.837 -1.857 1.00 0.00 C ATOM 468 CG1 VAL A 30 5.730 -0.760 -2.771 1.00 0.00 C ATOM 469 CG2 VAL A 30 7.787 -1.656 -1.726 1.00 0.00 C ATOM 0 H VAL A 30 6.860 -3.416 0.049 1.00 0.00 H new ATOM 0 HA VAL A 30 5.762 -0.802 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 30 6.070 -2.812 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.229 -0.812 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.659 -0.913 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.903 0.220 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.244 -1.681 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.998 -0.697 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.198 -2.460 -1.116 1.00 0.00 H new ATOM 479 N GLU A 31 3.705 -3.325 -0.657 1.00 0.00 N ATOM 480 CA GLU A 31 2.287 -3.649 -0.743 1.00 0.00 C ATOM 481 C GLU A 31 1.574 -3.326 0.571 1.00 0.00 C ATOM 482 O GLU A 31 0.379 -3.135 0.591 1.00 0.00 O ATOM 483 CB GLU A 31 2.023 -5.111 -1.150 1.00 0.00 C ATOM 484 CG GLU A 31 2.319 -6.140 -0.092 1.00 0.00 C ATOM 485 CD GLU A 31 1.772 -7.501 -0.452 1.00 0.00 C ATOM 486 OE1 GLU A 31 2.051 -7.990 -1.565 1.00 0.00 O1- ATOM 487 OE2 GLU A 31 0.997 -8.098 0.361 1.00 0.00 O ATOM 0 H GLU A 31 4.331 -4.130 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 31 1.880 -3.023 -1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.977 -5.206 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.622 -5.339 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.397 -6.210 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.890 -5.817 0.857 1.00 0.00 H new ATOM 494 N SER A 32 2.325 -3.251 1.662 1.00 0.00 N ATOM 495 CA SER A 32 1.746 -2.906 2.940 1.00 0.00 C ATOM 496 C SER A 32 1.366 -1.420 2.980 1.00 0.00 C ATOM 497 O SER A 32 0.448 -1.016 3.708 1.00 0.00 O ATOM 498 CB SER A 32 2.688 -3.276 4.078 1.00 0.00 C ATOM 499 OG SER A 32 2.940 -4.685 4.079 1.00 0.00 O ATOM 0 H SER A 32 3.330 -3.424 1.681 1.00 0.00 H new ATOM 0 HA SER A 32 0.831 -3.483 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.627 -2.732 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.252 -2.977 5.031 1.00 0.00 H new ATOM 0 HG SER A 32 3.368 -4.941 3.236 1.00 0.00 H new ATOM 505 N HIS A 33 2.075 -0.603 2.211 1.00 0.00 N ATOM 506 CA HIS A 33 1.721 0.808 2.106 1.00 0.00 C ATOM 507 C HIS A 33 0.521 1.041 1.236 1.00 0.00 C ATOM 508 O HIS A 33 -0.175 2.043 1.398 1.00 0.00 O ATOM 509 CB HIS A 33 2.863 1.634 1.614 1.00 0.00 C ATOM 510 CG HIS A 33 3.913 1.805 2.617 1.00 0.00 C ATOM 511 ND1 HIS A 33 4.050 2.913 3.414 1.00 0.00 N ATOM 512 CD2 HIS A 33 4.844 0.943 3.008 1.00 0.00 C ATOM 513 CE1 HIS A 33 5.061 2.671 4.253 1.00 0.00 C ATOM 514 NE2 HIS A 33 5.579 1.475 4.033 1.00 0.00 N ATOM 0 H HIS A 33 2.885 -0.886 1.659 1.00 0.00 H new ATOM 0 HA HIS A 33 1.469 1.121 3.119 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.288 1.166 0.726 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.493 2.614 1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.999 -0.036 2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.408 3.360 5.009 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.361 1.040 4.523 1.00 0.00 H new ATOM 522 N TRP A 34 0.305 0.162 0.285 1.00 0.00 N ATOM 523 CA TRP A 34 -0.829 0.194 -0.527 1.00 0.00 C ATOM 524 C TRP A 34 -2.046 -0.020 0.373 1.00 0.00 C ATOM 525 O TRP A 34 -2.143 -1.012 1.112 1.00 0.00 O ATOM 526 CB TRP A 34 -0.706 -0.910 -1.525 1.00 0.00 C ATOM 527 CG TRP A 34 0.448 -0.899 -2.418 1.00 0.00 C ATOM 528 CD1 TRP A 34 1.504 -0.065 -2.478 1.00 0.00 C ATOM 529 CD2 TRP A 34 0.652 -1.870 -3.367 1.00 0.00 C ATOM 530 NE1 TRP A 34 2.312 -0.467 -3.465 1.00 0.00 N ATOM 531 CE2 TRP A 34 1.809 -1.582 -4.041 1.00 0.00 C ATOM 532 CE3 TRP A 34 -0.080 -2.940 -3.695 1.00 0.00 C ATOM 533 CZ2 TRP A 34 2.281 -2.376 -5.084 1.00 0.00 C ATOM 534 CZ3 TRP A 34 0.342 -3.763 -4.718 1.00 0.00 C ATOM 535 CH2 TRP A 34 1.526 -3.470 -5.416 1.00 0.00 C ATOM 0 H TRP A 34 0.945 -0.603 0.071 1.00 0.00 H new ATOM 0 HA TRP A 34 -0.933 1.142 -1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -0.698 -1.854 -0.980 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -1.605 -0.905 -2.141 1.00 0.00 H new ATOM 0 HD1 TRP A 34 1.671 0.787 -1.836 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.177 -0.003 -3.741 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.994 -3.158 -3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.197 -2.141 -5.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.238 -4.634 -4.983 1.00 0.00 H new ATOM 0 HH2 TRP A 34 1.844 -4.114 -6.223 1.00 0.00 H new ATOM 546 N LYS A 35 -2.921 0.923 0.328 1.00 0.00 N ATOM 547 CA LYS A 35 -4.051 0.994 1.208 1.00 0.00 C ATOM 548 C LYS A 35 -5.095 0.010 0.807 1.00 0.00 C ATOM 549 O LYS A 35 -5.761 0.155 -0.191 1.00 0.00 O ATOM 550 CB LYS A 35 -4.603 2.423 1.296 1.00 0.00 C ATOM 551 CG LYS A 35 -3.542 3.497 1.573 1.00 0.00 C ATOM 552 CD LYS A 35 -2.818 3.282 2.897 1.00 0.00 C ATOM 553 CE LYS A 35 -1.673 4.282 3.060 1.00 0.00 C ATOM 554 NZ LYS A 35 -0.962 4.120 4.344 1.00 0.00 N1+ ATOM 0 H LYS A 35 -2.875 1.693 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.720 0.725 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.109 2.662 0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.355 2.461 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.814 3.500 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.017 4.478 1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.521 3.390 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.428 2.265 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.967 4.159 2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.067 5.296 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.195 4.820 4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.628 4.264 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.561 3.162 4.401 1.00 0.00 H new ATOM 568 N VAL A 36 -5.191 -0.979 1.592 1.00 0.00 N ATOM 569 CA VAL A 36 -6.060 -2.091 1.362 1.00 0.00 C ATOM 570 C VAL A 36 -7.415 -1.958 2.078 1.00 0.00 C ATOM 571 O VAL A 36 -7.487 -1.623 3.266 1.00 0.00 O ATOM 572 CB VAL A 36 -5.333 -3.409 1.768 1.00 0.00 C ATOM 573 CG1 VAL A 36 -4.950 -3.430 3.237 1.00 0.00 C ATOM 574 CG2 VAL A 36 -6.116 -4.650 1.379 1.00 0.00 C ATOM 0 H VAL A 36 -4.651 -1.057 2.454 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.292 -2.113 0.297 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.406 -3.427 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.447 -4.369 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.280 -2.597 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.848 -3.339 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.564 -5.539 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.087 -4.637 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.259 -4.666 0.299 1.00 0.00 H new ATOM 584 N CYS A 37 -8.489 -2.185 1.328 1.00 0.00 N ATOM 585 CA CYS A 37 -9.802 -2.225 1.880 1.00 0.00 C ATOM 586 C CYS A 37 -9.938 -3.601 2.481 1.00 0.00 C ATOM 587 O CYS A 37 -9.809 -4.581 1.766 1.00 0.00 O ATOM 588 CB CYS A 37 -10.821 -2.027 0.756 1.00 0.00 C ATOM 589 SG CYS A 37 -12.591 -2.143 1.214 1.00 0.00 S ATOM 0 H CYS A 37 -8.453 -2.344 0.321 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.972 -1.448 2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -10.649 -1.047 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.621 -2.768 -0.018 1.00 0.00 H new ATOM 594 N PRO A 38 -10.225 -3.709 3.768 1.00 0.00 N ATOM 595 CA PRO A 38 -10.230 -4.999 4.480 1.00 0.00 C ATOM 596 C PRO A 38 -11.356 -5.917 4.004 1.00 0.00 C ATOM 597 O PRO A 38 -11.338 -7.114 4.220 1.00 0.00 O ATOM 598 CB PRO A 38 -10.445 -4.592 5.940 1.00 0.00 C ATOM 599 CG PRO A 38 -11.124 -3.268 5.877 1.00 0.00 C ATOM 600 CD PRO A 38 -10.609 -2.595 4.636 1.00 0.00 C ATOM 0 HA PRO A 38 -9.314 -5.566 4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.056 -5.324 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.497 -4.524 6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.207 -3.387 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.902 -2.674 6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.374 -1.972 4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.760 -1.948 4.855 1.00 0.00 H new ATOM 608 N MET A 39 -12.300 -5.334 3.315 1.00 0.00 N ATOM 609 CA MET A 39 -13.461 -6.045 2.834 1.00 0.00 C ATOM 610 C MET A 39 -13.390 -6.309 1.328 1.00 0.00 C ATOM 611 O MET A 39 -14.246 -6.998 0.766 1.00 0.00 O ATOM 612 CB MET A 39 -14.698 -5.249 3.207 1.00 0.00 C ATOM 613 CG MET A 39 -15.000 -5.295 4.706 1.00 0.00 C ATOM 614 SD MET A 39 -16.134 -4.007 5.256 1.00 0.00 S ATOM 615 CE MET A 39 -15.057 -2.575 5.180 1.00 0.00 C ATOM 0 H MET A 39 -12.288 -4.344 3.068 1.00 0.00 H new ATOM 0 HA MET A 39 -13.502 -7.027 3.305 1.00 0.00 H new ATOM 0 HB2 MET A 39 -14.564 -4.212 2.899 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.555 -5.637 2.656 1.00 0.00 H new ATOM 0 HG2 MET A 39 -15.423 -6.269 4.953 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.065 -5.204 5.259 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.641 -1.671 5.353 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.285 -2.660 5.944 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.590 -2.523 4.197 1.00 0.00 H new ATOM 625 N CYS A 40 -12.382 -5.755 0.673 1.00 0.00 N ATOM 626 CA CYS A 40 -12.198 -5.990 -0.751 1.00 0.00 C ATOM 627 C CYS A 40 -10.857 -6.652 -1.031 1.00 0.00 C ATOM 628 O CYS A 40 -10.704 -7.374 -2.018 1.00 0.00 O ATOM 629 CB CYS A 40 -12.263 -4.682 -1.508 1.00 0.00 C ATOM 630 SG CYS A 40 -13.820 -3.984 -1.767 1.00 0.00 S ATOM 0 H CYS A 40 -11.684 -5.145 1.099 1.00 0.00 H new ATOM 0 HA CYS A 40 -12.997 -6.654 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -11.653 -3.954 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -11.797 -4.834 -2.482 1.00 0.00 H new ATOM 635 N SER A 41 -9.890 -6.371 -0.150 1.00 0.00 N ATOM 636 CA SER A 41 -8.501 -6.800 -0.285 1.00 0.00 C ATOM 637 C SER A 41 -7.887 -6.051 -1.476 1.00 0.00 C ATOM 638 O SER A 41 -6.905 -6.469 -2.077 1.00 0.00 O ATOM 639 CB SER A 41 -8.383 -8.336 -0.431 1.00 0.00 C ATOM 640 OG SER A 41 -7.032 -8.763 -0.271 1.00 0.00 O ATOM 0 H SER A 41 -10.060 -5.826 0.695 1.00 0.00 H new ATOM 0 HA SER A 41 -7.947 -6.554 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.013 -8.825 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.751 -8.641 -1.411 1.00 0.00 H new ATOM 0 HG SER A 41 -6.443 -8.196 -0.811 1.00 0.00 H new ATOM 646 N GLU A 42 -8.455 -4.889 -1.727 1.00 0.00 N ATOM 647 CA GLU A 42 -8.093 -4.048 -2.787 1.00 0.00 C ATOM 648 C GLU A 42 -7.235 -3.013 -2.213 1.00 0.00 C ATOM 649 O GLU A 42 -7.626 -2.264 -1.320 1.00 0.00 O ATOM 650 CB GLU A 42 -9.318 -3.435 -3.380 1.00 0.00 C ATOM 651 CG GLU A 42 -9.112 -2.682 -4.677 1.00 0.00 C ATOM 652 CD GLU A 42 -10.422 -2.375 -5.368 1.00 0.00 C ATOM 653 OE1 GLU A 42 -11.462 -2.242 -4.691 1.00 0.00 O1- ATOM 654 OE2 GLU A 42 -10.450 -2.331 -6.616 1.00 0.00 O ATOM 0 H GLU A 42 -9.212 -4.513 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.576 -4.592 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.050 -4.224 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.751 -2.752 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.582 -1.751 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.481 -3.271 -5.342 1.00 0.00 H new ATOM 661 N GLN A 43 -6.092 -3.077 -2.650 1.00 0.00 N ATOM 662 CA GLN A 43 -5.023 -2.240 -2.274 1.00 0.00 C ATOM 663 C GLN A 43 -4.937 -1.098 -3.255 1.00 0.00 C ATOM 664 O GLN A 43 -4.959 -1.293 -4.478 1.00 0.00 O ATOM 665 CB GLN A 43 -3.771 -3.072 -2.315 1.00 0.00 C ATOM 666 CG GLN A 43 -3.857 -4.320 -1.463 1.00 0.00 C ATOM 667 CD GLN A 43 -2.529 -4.972 -1.212 1.00 0.00 C ATOM 668 OE1 GLN A 43 -1.864 -4.705 -0.222 1.00 0.00 O ATOM 669 NE2 GLN A 43 -2.130 -5.816 -2.095 1.00 0.00 N ATOM 0 H GLN A 43 -5.819 -3.770 -3.347 1.00 0.00 H new ATOM 0 HA GLN A 43 -5.161 -1.827 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.566 -3.358 -3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.929 -2.467 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.313 -4.065 -0.506 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.518 -5.037 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.711 -6.015 -2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.232 -6.287 -1.981 1.00 0.00 H new ATOM 678 N PHE A 44 -4.922 0.059 -2.722 1.00 0.00 N ATOM 679 CA PHE A 44 -4.825 1.262 -3.468 1.00 0.00 C ATOM 680 C PHE A 44 -3.419 1.799 -3.400 1.00 0.00 C ATOM 681 O PHE A 44 -2.762 1.677 -2.372 1.00 0.00 O ATOM 682 CB PHE A 44 -5.835 2.271 -2.945 1.00 0.00 C ATOM 683 CG PHE A 44 -7.261 1.901 -3.283 1.00 0.00 C ATOM 684 CD1 PHE A 44 -7.982 1.033 -2.479 1.00 0.00 C ATOM 685 CD2 PHE A 44 -7.868 2.405 -4.411 1.00 0.00 C ATOM 686 CE1 PHE A 44 -9.277 0.682 -2.794 1.00 0.00 C ATOM 687 CE2 PHE A 44 -9.164 2.061 -4.733 1.00 0.00 C ATOM 688 CZ PHE A 44 -9.869 1.198 -3.923 1.00 0.00 C ATOM 0 H PHE A 44 -4.979 0.208 -1.714 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.055 1.065 -4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.733 2.353 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.610 3.253 -3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.522 0.625 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.321 3.080 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.825 0.004 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.626 2.468 -5.620 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.884 0.927 -4.174 1.00 0.00 H new ATOM 698 N PRO A 45 -2.938 2.409 -4.477 1.00 0.00 N ATOM 699 CA PRO A 45 -1.567 2.879 -4.563 1.00 0.00 C ATOM 700 C PRO A 45 -1.278 4.050 -3.606 1.00 0.00 C ATOM 701 O PRO A 45 -2.193 4.744 -3.154 1.00 0.00 O ATOM 702 CB PRO A 45 -1.439 3.317 -6.024 1.00 0.00 C ATOM 703 CG PRO A 45 -2.818 3.668 -6.433 1.00 0.00 C ATOM 704 CD PRO A 45 -3.710 2.731 -5.694 1.00 0.00 C ATOM 0 HA PRO A 45 -0.851 2.110 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.767 4.169 -6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.034 2.517 -6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.048 4.704 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.946 3.562 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.667 3.194 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.928 1.838 -6.280 1.00 0.00 H new ATOM 712 N PRO A 46 0.005 4.297 -3.309 1.00 0.00 N ATOM 713 CA PRO A 46 0.429 5.361 -2.376 1.00 0.00 C ATOM 714 C PRO A 46 0.150 6.771 -2.910 1.00 0.00 C ATOM 715 O PRO A 46 0.225 7.748 -2.173 1.00 0.00 O ATOM 716 CB PRO A 46 1.940 5.150 -2.288 1.00 0.00 C ATOM 717 CG PRO A 46 2.284 4.501 -3.584 1.00 0.00 C ATOM 718 CD PRO A 46 1.166 3.554 -3.837 1.00 0.00 C ATOM 0 HA PRO A 46 -0.105 5.298 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.469 6.094 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.207 4.518 -1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.370 5.236 -4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.240 3.980 -3.525 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.056 3.327 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.311 2.605 -3.321 1.00 0.00 H new ATOM 726 N ASP A 47 -0.159 6.863 -4.183 1.00 0.00 N ATOM 727 CA ASP A 47 -0.392 8.143 -4.822 1.00 0.00 C ATOM 728 C ASP A 47 -1.883 8.407 -4.952 1.00 0.00 C ATOM 729 O ASP A 47 -2.300 9.339 -5.639 1.00 0.00 O ATOM 730 CB ASP A 47 0.267 8.184 -6.204 1.00 0.00 C ATOM 731 CG ASP A 47 -0.407 7.285 -7.212 1.00 0.00 C ATOM 732 OD1 ASP A 47 -0.272 6.055 -7.114 1.00 0.00 O1- ATOM 733 OD2 ASP A 47 -1.090 7.794 -8.113 1.00 0.00 O ATOM 0 H ASP A 47 -0.256 6.060 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 47 0.052 8.920 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.254 9.209 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.313 7.893 -6.109 1.00 0.00 H new ATOM 738 N TYR A 48 -2.684 7.609 -4.275 1.00 0.00 N ATOM 739 CA TYR A 48 -4.070 7.754 -4.285 1.00 0.00 C ATOM 740 C TYR A 48 -4.404 8.742 -3.173 1.00 0.00 C ATOM 741 O TYR A 48 -3.508 9.321 -2.540 1.00 0.00 O ATOM 742 CB TYR A 48 -4.682 6.378 -4.003 1.00 0.00 C ATOM 743 CG TYR A 48 -6.047 6.151 -4.581 1.00 0.00 C ATOM 744 CD1 TYR A 48 -6.197 5.964 -5.941 1.00 0.00 C ATOM 745 CD2 TYR A 48 -7.173 6.095 -3.778 1.00 0.00 C ATOM 746 CE1 TYR A 48 -7.429 5.733 -6.498 1.00 0.00 C ATOM 747 CE2 TYR A 48 -8.413 5.855 -4.323 1.00 0.00 C ATOM 748 CZ TYR A 48 -8.537 5.675 -5.688 1.00 0.00 C ATOM 749 OH TYR A 48 -9.773 5.416 -6.241 1.00 0.00 O ATOM 0 H TYR A 48 -2.352 6.835 -3.700 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.458 8.120 -5.236 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.010 5.613 -4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.735 6.237 -2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.326 6.000 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.077 6.241 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.527 5.598 -7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.285 5.807 -3.688 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.452 5.407 -5.535 1.00 0.00 H new ATOM 759 N ASP A 49 -5.632 8.913 -2.912 1.00 0.00 N ATOM 760 CA ASP A 49 -6.052 9.826 -1.904 1.00 0.00 C ATOM 761 C ASP A 49 -6.594 9.012 -0.784 1.00 0.00 C ATOM 762 O ASP A 49 -7.422 8.118 -1.017 1.00 0.00 O ATOM 763 CB ASP A 49 -7.146 10.755 -2.409 1.00 0.00 C ATOM 764 CG ASP A 49 -7.368 11.943 -1.491 1.00 0.00 C ATOM 765 OD1 ASP A 49 -7.795 11.760 -0.351 1.00 0.00 O ATOM 766 OD2 ASP A 49 -7.098 13.092 -1.902 1.00 0.00 O1- ATOM 0 H ASP A 49 -6.392 8.426 -3.388 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.209 10.445 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.883 11.113 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.077 10.196 -2.506 1.00 0.00 H new ATOM 771 N GLN A 50 -6.151 9.288 0.404 1.00 0.00 N ATOM 772 CA GLN A 50 -6.617 8.583 1.578 1.00 0.00 C ATOM 773 C GLN A 50 -8.088 8.770 1.793 1.00 0.00 C ATOM 774 O GLN A 50 -8.766 7.840 2.158 1.00 0.00 O ATOM 775 CB GLN A 50 -5.839 8.978 2.827 1.00 0.00 C ATOM 776 CG GLN A 50 -4.496 8.295 2.962 1.00 0.00 C ATOM 777 CD GLN A 50 -4.582 6.864 3.520 1.00 0.00 C ATOM 778 OE1 GLN A 50 -3.656 6.392 4.152 1.00 0.00 O ATOM 779 NE2 GLN A 50 -5.700 6.181 3.335 1.00 0.00 N ATOM 0 H GLN A 50 -5.455 10.008 0.597 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.436 7.524 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.686 10.057 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.442 8.747 3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.014 8.266 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.859 8.892 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.467 6.592 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.795 5.243 3.725 1.00 0.00 H new ATOM 788 N GLN A 51 -8.586 9.938 1.483 1.00 0.00 N ATOM 789 CA GLN A 51 -9.976 10.227 1.699 1.00 0.00 C ATOM 790 C GLN A 51 -10.826 9.570 0.633 1.00 0.00 C ATOM 791 O GLN A 51 -11.931 9.117 0.914 1.00 0.00 O ATOM 792 CB GLN A 51 -10.244 11.720 1.765 1.00 0.00 C ATOM 793 CG GLN A 51 -9.520 12.435 2.891 1.00 0.00 C ATOM 794 CD GLN A 51 -10.000 13.856 3.058 1.00 0.00 C ATOM 795 OE1 GLN A 51 -11.162 14.162 2.792 1.00 0.00 O ATOM 796 NE2 GLN A 51 -9.135 14.726 3.490 1.00 0.00 N ATOM 0 H GLN A 51 -8.048 10.705 1.080 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.251 9.811 2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.953 12.172 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.316 11.880 1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -9.670 11.890 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.449 12.435 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.180 14.435 3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.411 15.699 3.619 1.00 0.00 H new ATOM 805 N VAL A 52 -10.286 9.453 -0.583 1.00 0.00 N ATOM 806 CA VAL A 52 -11.017 8.791 -1.655 1.00 0.00 C ATOM 807 C VAL A 52 -11.086 7.301 -1.335 1.00 0.00 C ATOM 808 O VAL A 52 -12.111 6.639 -1.550 1.00 0.00 O ATOM 809 CB VAL A 52 -10.355 9.066 -3.040 1.00 0.00 C ATOM 810 CG1 VAL A 52 -11.008 8.277 -4.154 1.00 0.00 C ATOM 811 CG2 VAL A 52 -10.439 10.547 -3.363 1.00 0.00 C ATOM 0 H VAL A 52 -9.363 9.802 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.030 9.189 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.314 8.749 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.512 8.502 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.921 7.211 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.061 8.549 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.975 10.735 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.484 10.854 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.917 11.117 -2.594 1.00 0.00 H new ATOM 821 N PHE A 53 -10.011 6.818 -0.729 1.00 0.00 N ATOM 822 CA PHE A 53 -9.923 5.458 -0.251 1.00 0.00 C ATOM 823 C PHE A 53 -10.903 5.237 0.900 1.00 0.00 C ATOM 824 O PHE A 53 -11.634 4.254 0.916 1.00 0.00 O ATOM 825 CB PHE A 53 -8.480 5.140 0.183 1.00 0.00 C ATOM 826 CG PHE A 53 -8.338 3.880 0.991 1.00 0.00 C ATOM 827 CD1 PHE A 53 -8.511 2.642 0.414 1.00 0.00 C ATOM 828 CD2 PHE A 53 -8.050 3.949 2.342 1.00 0.00 C ATOM 829 CE1 PHE A 53 -8.396 1.493 1.165 1.00 0.00 C ATOM 830 CE2 PHE A 53 -7.935 2.811 3.097 1.00 0.00 C ATOM 831 CZ PHE A 53 -8.107 1.579 2.510 1.00 0.00 C ATOM 0 H PHE A 53 -9.171 7.370 -0.557 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.193 4.779 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.855 5.059 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.096 5.977 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.739 2.571 -0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.914 4.913 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.532 0.527 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.710 2.881 4.151 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.016 0.680 3.102 1.00 0.00 H new ATOM 841 N GLU A 54 -10.928 6.163 1.854 1.00 0.00 N ATOM 842 CA GLU A 54 -11.828 6.047 2.983 1.00 0.00 C ATOM 843 C GLU A 54 -13.272 6.080 2.537 1.00 0.00 C ATOM 844 O GLU A 54 -14.076 5.328 3.046 1.00 0.00 O ATOM 845 CB GLU A 54 -11.561 7.085 4.066 1.00 0.00 C ATOM 846 CG GLU A 54 -10.188 6.969 4.706 1.00 0.00 C ATOM 847 CD GLU A 54 -10.051 7.842 5.918 1.00 0.00 C ATOM 848 OE1 GLU A 54 -9.679 9.011 5.787 1.00 0.00 O ATOM 849 OE2 GLU A 54 -10.339 7.368 7.042 1.00 0.00 O1- ATOM 0 H GLU A 54 -10.337 6.995 1.863 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.631 5.075 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.667 8.081 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.321 6.991 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.006 5.931 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.425 7.241 3.977 1.00 0.00 H new ATOM 856 N ARG A 55 -13.587 6.915 1.548 1.00 0.00 N ATOM 857 CA ARG A 55 -14.944 6.956 0.989 1.00 0.00 C ATOM 858 C ARG A 55 -15.311 5.609 0.373 1.00 0.00 C ATOM 859 O ARG A 55 -16.458 5.168 0.453 1.00 0.00 O ATOM 860 CB ARG A 55 -15.116 8.078 -0.036 1.00 0.00 C ATOM 861 CG ARG A 55 -15.708 9.387 0.513 1.00 0.00 C ATOM 862 CD ARG A 55 -14.836 10.061 1.559 1.00 0.00 C ATOM 863 NE ARG A 55 -15.446 11.311 2.059 1.00 0.00 N ATOM 864 CZ ARG A 55 -14.766 12.418 2.430 1.00 0.00 C ATOM 865 NH1 ARG A 55 -13.461 12.509 2.189 1.00 0.00 N1+ ATOM 866 NH2 ARG A 55 -15.410 13.444 2.971 1.00 0.00 N ATOM 0 H ARG A 55 -12.931 7.567 1.119 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.624 7.167 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.144 8.296 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.758 7.718 -0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.867 10.078 -0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.686 9.179 0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.673 9.377 2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.858 10.280 1.131 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.463 11.340 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.974 11.743 1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.948 13.345 2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.420 13.398 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.895 14.279 3.251 1.00 0.00 H new ATOM 880 N HIS A 56 -14.332 4.952 -0.231 1.00 0.00 N ATOM 881 CA HIS A 56 -14.521 3.613 -0.749 1.00 0.00 C ATOM 882 C HIS A 56 -14.866 2.674 0.389 1.00 0.00 C ATOM 883 O HIS A 56 -15.886 2.025 0.354 1.00 0.00 O ATOM 884 CB HIS A 56 -13.264 3.124 -1.523 1.00 0.00 C ATOM 885 CG HIS A 56 -13.236 1.639 -1.859 1.00 0.00 C ATOM 886 ND1 HIS A 56 -13.926 1.061 -2.894 1.00 0.00 N ATOM 887 CD2 HIS A 56 -12.569 0.627 -1.246 1.00 0.00 C ATOM 888 CE1 HIS A 56 -13.672 -0.276 -2.867 1.00 0.00 C ATOM 889 NE2 HIS A 56 -12.849 -0.589 -1.875 1.00 0.00 N ATOM 0 H HIS A 56 -13.395 5.330 -0.373 1.00 0.00 H new ATOM 0 HA HIS A 56 -15.348 3.624 -1.459 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -13.188 3.690 -2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.380 3.361 -0.932 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -14.523 1.546 -3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -11.916 0.745 -0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.087 -0.990 -3.563 1.00 0.00 H new ATOM 897 N VAL A 57 -14.073 2.711 1.439 1.00 0.00 N ATOM 898 CA VAL A 57 -14.221 1.784 2.558 1.00 0.00 C ATOM 899 C VAL A 57 -15.527 2.052 3.296 1.00 0.00 C ATOM 900 O VAL A 57 -16.234 1.130 3.706 1.00 0.00 O ATOM 901 CB VAL A 57 -13.016 1.880 3.536 1.00 0.00 C ATOM 902 CG1 VAL A 57 -13.177 0.926 4.711 1.00 0.00 C ATOM 903 CG2 VAL A 57 -11.721 1.584 2.804 1.00 0.00 C ATOM 0 H VAL A 57 -13.309 3.378 1.548 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.243 0.771 2.155 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.985 2.897 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.318 1.018 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.087 1.173 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -13.242 -0.098 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.885 1.655 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.761 0.578 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.585 2.306 1.999 1.00 0.00 H new ATOM 913 N GLN A 58 -15.866 3.303 3.394 1.00 0.00 N ATOM 914 CA GLN A 58 -17.064 3.735 4.049 1.00 0.00 C ATOM 915 C GLN A 58 -18.335 3.246 3.371 1.00 0.00 C ATOM 916 O GLN A 58 -19.332 3.053 4.037 1.00 0.00 O ATOM 917 CB GLN A 58 -17.067 5.231 4.231 1.00 0.00 C ATOM 918 CG GLN A 58 -16.160 5.715 5.351 1.00 0.00 C ATOM 919 CD GLN A 58 -16.616 5.217 6.707 1.00 0.00 C ATOM 920 OE1 GLN A 58 -17.429 5.856 7.370 1.00 0.00 O ATOM 921 NE2 GLN A 58 -16.092 4.104 7.144 1.00 0.00 N ATOM 0 H GLN A 58 -15.307 4.066 3.013 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.063 3.269 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.759 5.702 3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.086 5.561 4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.141 5.376 5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -16.138 6.805 5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.419 3.597 6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.355 3.742 8.060 1.00 0.00 H new ATOM 930 N THR A 59 -18.290 2.989 2.074 1.00 0.00 N ATOM 931 CA THR A 59 -19.463 2.476 1.384 1.00 0.00 C ATOM 932 C THR A 59 -19.714 1.024 1.780 1.00 0.00 C ATOM 933 O THR A 59 -20.821 0.528 1.681 1.00 0.00 O ATOM 934 CB THR A 59 -19.405 2.619 -0.164 1.00 0.00 C ATOM 935 OG1 THR A 59 -18.259 1.943 -0.712 1.00 0.00 O ATOM 936 CG2 THR A 59 -19.381 4.078 -0.567 1.00 0.00 C ATOM 0 H THR A 59 -17.468 3.124 1.485 1.00 0.00 H new ATOM 0 HA THR A 59 -20.298 3.099 1.705 1.00 0.00 H new ATOM 0 HB THR A 59 -20.304 2.153 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.541 1.925 -0.046 1.00 0.00 H new ATOM 0 HG21 THR A 59 -19.340 4.155 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 59 -20.282 4.571 -0.202 1.00 0.00 H new ATOM 0 HG23 THR A 59 -18.503 4.560 -0.136 1.00 0.00 H new ATOM 944 N HIS A 60 -18.677 0.373 2.291 1.00 0.00 N ATOM 945 CA HIS A 60 -18.787 -0.997 2.763 1.00 0.00 C ATOM 946 C HIS A 60 -19.445 -0.990 4.135 1.00 0.00 C ATOM 947 O HIS A 60 -20.036 -1.970 4.558 1.00 0.00 O ATOM 948 CB HIS A 60 -17.407 -1.686 2.829 1.00 0.00 C ATOM 949 CG HIS A 60 -16.701 -1.810 1.507 1.00 0.00 C ATOM 950 ND1 HIS A 60 -16.484 -2.995 0.856 1.00 0.00 N ATOM 951 CD2 HIS A 60 -16.191 -0.850 0.706 1.00 0.00 C ATOM 952 CE1 HIS A 60 -15.856 -2.720 -0.298 1.00 0.00 C ATOM 953 NE2 HIS A 60 -15.683 -1.419 -0.449 1.00 0.00 N ATOM 0 H HIS A 60 -17.745 0.777 2.389 1.00 0.00 H new ATOM 0 HA HIS A 60 -19.396 -1.565 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -16.770 -1.127 3.514 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -17.534 -2.682 3.252 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -16.752 -3.921 1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -16.181 0.206 0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -15.534 -3.465 -1.010 1.00 0.00 H new ATOM 961 N PHE A 61 -19.333 0.130 4.826 1.00 0.00 N ATOM 962 CA PHE A 61 -20.003 0.311 6.100 1.00 0.00 C ATOM 963 C PHE A 61 -21.384 0.897 5.872 1.00 0.00 C ATOM 964 O PHE A 61 -22.304 0.685 6.658 1.00 0.00 O ATOM 965 CB PHE A 61 -19.187 1.195 7.050 1.00 0.00 C ATOM 966 CG PHE A 61 -17.936 0.542 7.571 1.00 0.00 C ATOM 967 CD1 PHE A 61 -17.999 -0.304 8.660 1.00 0.00 C ATOM 968 CD2 PHE A 61 -16.708 0.777 6.985 1.00 0.00 C ATOM 969 CE1 PHE A 61 -16.863 -0.907 9.157 1.00 0.00 C ATOM 970 CE2 PHE A 61 -15.566 0.176 7.476 1.00 0.00 C ATOM 971 CZ PHE A 61 -15.644 -0.666 8.564 1.00 0.00 C ATOM 0 H PHE A 61 -18.781 0.932 4.523 1.00 0.00 H new ATOM 0 HA PHE A 61 -20.101 -0.665 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -18.916 2.114 6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -19.815 1.479 7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -18.952 -0.496 9.130 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -16.640 1.438 6.134 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -16.929 -1.567 10.009 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -14.612 0.366 7.007 1.00 0.00 H new ATOM 0 HZ PHE A 61 -14.751 -1.136 8.950 1.00 0.00 H new ATOM 981 N ASP A 62 -21.515 1.640 4.782 1.00 0.00 N ATOM 982 CA ASP A 62 -22.802 2.218 4.378 1.00 0.00 C ATOM 983 C ASP A 62 -23.705 1.121 3.884 1.00 0.00 C ATOM 984 O ASP A 62 -24.918 1.130 4.084 1.00 0.00 O ATOM 985 CB ASP A 62 -22.585 3.259 3.282 1.00 0.00 C ATOM 986 CG ASP A 62 -23.862 3.872 2.767 1.00 0.00 C ATOM 987 OD1 ASP A 62 -24.415 4.775 3.430 1.00 0.00 O1- ATOM 988 OD2 ASP A 62 -24.320 3.487 1.673 1.00 0.00 O ATOM 0 H ASP A 62 -20.743 1.861 4.153 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.267 2.708 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.942 4.050 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -22.055 2.794 2.451 1.00 0.00 H new ATOM 993 N GLN A 63 -23.070 0.201 3.223 1.00 0.00 N ATOM 994 CA GLN A 63 -23.640 -1.024 2.673 1.00 0.00 C ATOM 995 C GLN A 63 -24.582 -0.770 1.496 1.00 0.00 C ATOM 996 O GLN A 63 -25.237 -1.687 1.008 1.00 0.00 O ATOM 997 CB GLN A 63 -24.279 -1.896 3.760 1.00 0.00 C ATOM 998 CG GLN A 63 -23.281 -2.347 4.820 1.00 0.00 C ATOM 999 CD GLN A 63 -23.881 -3.265 5.856 1.00 0.00 C ATOM 1000 OE1 GLN A 63 -23.868 -4.489 5.706 1.00 0.00 O ATOM 1001 NE2 GLN A 63 -24.406 -2.702 6.899 1.00 0.00 N ATOM 0 H GLN A 63 -22.071 0.278 3.033 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.805 -1.592 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.084 -1.339 4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -24.731 -2.773 3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.450 -2.856 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -22.870 -1.469 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.398 -1.686 6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.827 -3.275 7.630 1.00 0.00 H new ATOM 1010 N ASN A 64 -24.649 0.495 1.063 1.00 0.00 N ATOM 1011 CA ASN A 64 -25.404 0.945 -0.125 1.00 0.00 C ATOM 1012 C ASN A 64 -26.923 0.863 0.049 1.00 0.00 C ATOM 1013 O ASN A 64 -27.666 1.231 -0.873 1.00 0.00 O ATOM 1014 CB ASN A 64 -24.963 0.210 -1.415 1.00 0.00 C ATOM 1015 CG ASN A 64 -23.505 0.445 -1.787 1.00 0.00 C ATOM 1016 OD1 ASN A 64 -22.609 -0.292 -1.355 1.00 0.00 O ATOM 1017 ND2 ASN A 64 -23.252 1.436 -2.599 1.00 0.00 N ATOM 0 H ASN A 64 -24.168 1.259 1.539 1.00 0.00 H new ATOM 0 HA ASN A 64 -25.155 2.001 -0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -25.128 -0.860 -1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -25.596 0.534 -2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.294 1.621 -2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -24.013 2.025 -2.937 1.00 0.00 H new ATOM 1024 N VAL A 65 -27.365 0.407 1.238 1.00 0.00 N ATOM 1025 CA VAL A 65 -28.787 0.236 1.623 1.00 0.00 C ATOM 1026 C VAL A 65 -29.673 -0.303 0.474 1.00 0.00 C ATOM 1027 O VAL A 65 -30.514 0.397 -0.102 1.00 0.00 O ATOM 1028 CB VAL A 65 -29.412 1.487 2.369 1.00 0.00 C ATOM 1029 CG1 VAL A 65 -29.454 2.751 1.507 1.00 0.00 C ATOM 1030 CG2 VAL A 65 -30.789 1.166 2.948 1.00 0.00 C ATOM 0 H VAL A 65 -26.724 0.138 1.984 1.00 0.00 H new ATOM 0 HA VAL A 65 -28.776 -0.552 2.376 1.00 0.00 H new ATOM 0 HB VAL A 65 -28.737 1.706 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -29.893 3.568 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -28.441 3.021 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -30.057 2.566 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -31.186 2.047 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -31.463 0.874 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -30.701 0.348 3.663 1.00 0.00 H new ATOM 1040 N LEU A 66 -29.433 -1.535 0.110 1.00 0.00 N ATOM 1041 CA LEU A 66 -30.132 -2.125 -0.994 1.00 0.00 C ATOM 1042 C LEU A 66 -30.788 -3.443 -0.648 1.00 0.00 C ATOM 1043 O LEU A 66 -30.244 -4.243 0.130 1.00 0.00 O ATOM 1044 CB LEU A 66 -29.208 -2.227 -2.230 1.00 0.00 C ATOM 1045 CG LEU A 66 -27.818 -2.870 -2.042 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -27.875 -4.387 -1.935 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -26.910 -2.453 -3.160 1.00 0.00 C ATOM 0 H LEU A 66 -28.757 -2.148 0.565 1.00 0.00 H new ATOM 0 HA LEU A 66 -30.957 -1.459 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -29.737 -2.793 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -29.061 -1.220 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 66 -27.422 -2.510 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.867 -4.781 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -28.489 -4.669 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -28.310 -4.800 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -25.930 -2.910 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -27.331 -2.778 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -26.808 -1.368 -3.160 1.00 0.00 H new ATOM 1059 N ASN A 67 -31.964 -3.642 -1.178 1.00 0.00 N ATOM 1060 CA ASN A 67 -32.672 -4.901 -1.047 1.00 0.00 C ATOM 1061 C ASN A 67 -32.127 -5.837 -2.108 1.00 0.00 C ATOM 1062 O ASN A 67 -31.829 -6.993 -1.848 1.00 0.00 O ATOM 1063 CB ASN A 67 -34.194 -4.674 -1.171 1.00 0.00 C ATOM 1064 CG ASN A 67 -35.005 -5.952 -1.331 1.00 0.00 C ATOM 1065 OD1 ASN A 67 -35.336 -6.623 -0.358 1.00 0.00 O ATOM 1066 ND2 ASN A 67 -35.397 -6.247 -2.538 1.00 0.00 N ATOM 0 H ASN A 67 -32.466 -2.937 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 67 -32.516 -5.349 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -34.544 -4.143 -0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -34.385 -4.026 -2.027 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -35.997 -7.057 -2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -35.104 -5.668 -3.325 1.00 0.00 H new ATOM 1073 N PHE A 68 -31.970 -5.280 -3.288 1.00 0.00 N ATOM 1074 CA PHE A 68 -31.287 -5.887 -4.427 1.00 0.00 C ATOM 1075 C PHE A 68 -30.755 -4.744 -5.252 1.00 0.00 C ATOM 1076 O PHE A 68 -29.547 -4.511 -5.335 1.00 0.00 O ATOM 1077 CB PHE A 68 -32.208 -6.777 -5.308 1.00 0.00 C ATOM 1078 CG PHE A 68 -32.613 -8.089 -4.695 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -31.669 -9.077 -4.463 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -33.926 -8.333 -4.347 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -32.030 -10.280 -3.896 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -34.295 -9.534 -3.778 1.00 0.00 C ATOM 1083 CZ PHE A 68 -33.347 -10.509 -3.552 1.00 0.00 C ATOM 0 H PHE A 68 -32.329 -4.348 -3.497 1.00 0.00 H new ATOM 0 HA PHE A 68 -30.506 -6.552 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -33.110 -6.213 -5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -31.698 -6.977 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -30.637 -8.902 -4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -34.674 -7.574 -4.522 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -31.284 -11.042 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -35.326 -9.710 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 68 -33.634 -11.450 -3.107 1.00 0.00 H new ATOM 1093 N ASP A 69 -31.680 -4.000 -5.793 1.00 0.00 N ATOM 1094 CA ASP A 69 -31.423 -2.807 -6.558 1.00 0.00 C ATOM 1095 C ASP A 69 -32.747 -2.210 -6.848 1.00 0.00 C ATOM 1096 O ASP A 69 -33.164 -1.312 -6.121 1.00 0.00 O ATOM 1097 CB ASP A 69 -30.680 -3.078 -7.871 1.00 0.00 C ATOM 1098 CG ASP A 69 -30.390 -1.801 -8.631 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -29.557 -0.987 -8.160 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -30.966 -1.599 -9.735 1.00 0.00 O1- ATOM 1101 OXT ASP A 69 -33.442 -2.734 -7.729 1.00 0.00 O ATOM 0 H ASP A 69 -32.674 -4.215 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 69 -30.776 -2.144 -5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -29.744 -3.594 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -31.276 -3.744 -8.495 1.00 0.00 H new TER 1106 ASP A 69 HETATM 1107 ZN ZN A 101 7.528 1.722 3.640 1.00 0.00 ZN HETATM 1108 ZN ZN A 102 -13.779 -1.942 -0.745 1.00 0.00 ZN