USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 666 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 10 THR OG1 : rot -80:sc= -0.225 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0.0306 USER MOD Set 2.1: A 76 ASN : amide:sc= -7.84! C(o=-11!,f=-16!) USER MOD Set 2.2: A 77 SER OG : rot 161:sc= -2.91! USER MOD Set 3.1: A 52 LYS NZ :NH3+ -159:sc= 0.163 (180deg=0) USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0.16 USER MOD Set 4.1: A 38 GLN : amide:sc= 0.0243 K(o=1.2,f=-3.9!) USER MOD Set 4.2: A 43 SER OG : rot -157:sc= 1.22 USER MOD Single : A 4 THR OG1 : rot 180:sc= -5.55! USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= 0.143 (180deg=0.0703) USER MOD Single : A 8 SER OG : rot 180:sc= -0.678 USER MOD Single : A 9 MET CE :methyl -113:sc= -5.39! (180deg=-7.1!) USER MOD Single : A -1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 61:sc= 0.477 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -115:sc= 0.0437 USER MOD Single : A 23 THR OG1 : rot -7:sc= 1.45! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 32 THR OG1 : rot 91:sc= 0.0484 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -86:sc= 0.905 USER MOD Single : A 42 THR OG1 : rot 72:sc= 0.469 USER MOD Single : A 46 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-0.38) USER MOD Single : A 47 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.21) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00302 USER MOD Single : A 50 THR OG1 : rot -68:sc= -0.495 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -51:sc= -7.17! USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.89! USER MOD Single : A 60 SER OG : rot 101:sc= 0.315 USER MOD Single : A 61 SER OG : rot 21:sc= -1.49! USER MOD Single : A 69 ASN : amide:sc= -5.05! C(o=-5.1!,f=-8.2!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 111:sc= -4.23! USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= -0.195 (180deg=-0.777) USER MOD Single : A 81 GLN : amide:sc= -1.98 X(o=-2,f=-2.1!) USER MOD Single : A 86 THR OG1 : rot 23:sc= 0.321 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 18.965 0.755 7.222 1.00 0.00 N ATOM 82 CA ALA A -1 18.266 -0.385 6.555 1.00 0.00 C ATOM 83 C ALA A -1 16.960 0.078 5.889 1.00 0.00 C ATOM 84 O ALA A -1 16.976 0.615 4.799 1.00 0.00 O ATOM 85 CB ALA A -1 18.000 -1.384 7.686 1.00 0.00 C ATOM 0 H1 ALA A -1 19.843 0.414 7.663 1.00 0.00 H new ATOM 0 H2 ALA A -1 19.193 1.484 6.516 1.00 0.00 H new ATOM 0 H3 ALA A -1 18.346 1.162 7.952 1.00 0.00 H new ATOM 0 HA ALA A -1 18.859 -0.825 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.486 -2.258 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.947 -1.691 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.377 -0.914 8.447 1.00 0.00 H new ATOM 91 N ALA A 0 15.835 -0.122 6.521 1.00 0.00 N ATOM 92 CA ALA A 0 14.546 0.313 5.908 1.00 0.00 C ATOM 93 C ALA A 0 13.552 0.720 6.996 1.00 0.00 C ATOM 94 O ALA A 0 13.208 -0.059 7.862 1.00 0.00 O ATOM 95 CB ALA A 0 14.024 -0.907 5.151 1.00 0.00 C ATOM 0 H ALA A 0 15.752 -0.568 7.435 1.00 0.00 H new ATOM 0 HA ALA A 0 14.680 1.174 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.076 -0.660 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.748 -1.201 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.875 -1.732 5.848 1.00 0.00 H new ATOM 101 N ARG A 1 13.085 1.934 6.953 1.00 0.00 N ATOM 102 CA ARG A 1 12.106 2.395 7.977 1.00 0.00 C ATOM 103 C ARG A 1 11.042 3.263 7.308 1.00 0.00 C ATOM 104 O ARG A 1 11.333 4.028 6.415 1.00 0.00 O ATOM 105 CB ARG A 1 12.923 3.215 8.979 1.00 0.00 C ATOM 106 CG ARG A 1 13.710 4.300 8.238 1.00 0.00 C ATOM 107 CD ARG A 1 13.584 5.626 8.989 1.00 0.00 C ATOM 108 NE ARG A 1 14.919 6.273 8.846 1.00 0.00 N ATOM 109 CZ ARG A 1 15.137 7.450 9.366 1.00 0.00 C ATOM 110 NH1 ARG A 1 14.150 8.290 9.517 1.00 0.00 N ATOM 111 NH2 ARG A 1 16.343 7.788 9.732 1.00 0.00 N ATOM 0 H ARG A 1 13.339 2.630 6.252 1.00 0.00 H new ATOM 0 HA ARG A 1 11.592 1.568 8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.261 3.671 9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.607 2.564 9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.759 4.013 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.331 4.408 7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.796 6.248 8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.333 5.465 10.037 1.00 0.00 H new ATOM 0 HE ARG A 1 15.664 5.795 8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.208 8.027 9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.321 9.210 9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 1 17.115 7.132 9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.514 8.708 10.138 1.00 0.00 H new ATOM 125 N ILE A 2 9.814 3.152 7.724 1.00 0.00 N ATOM 126 CA ILE A 2 8.752 3.977 7.091 1.00 0.00 C ATOM 127 C ILE A 2 8.628 5.316 7.817 1.00 0.00 C ATOM 128 O ILE A 2 8.462 5.380 9.019 1.00 0.00 O ATOM 129 CB ILE A 2 7.467 3.151 7.219 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.567 1.941 6.283 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.255 4.007 6.825 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.256 1.153 6.308 1.00 0.00 C ATOM 0 H ILE A 2 9.501 2.530 8.470 1.00 0.00 H new ATOM 0 HA ILE A 2 8.969 4.208 6.048 1.00 0.00 H new ATOM 0 HB ILE A 2 7.343 2.818 8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.783 2.273 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.393 1.300 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.345 3.414 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.192 4.874 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.366 4.342 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.335 0.295 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.059 0.807 7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.439 1.795 5.979 1.00 0.00 H new ATOM 144 N LEU A 3 8.716 6.384 7.081 1.00 0.00 N ATOM 145 CA LEU A 3 8.615 7.736 7.687 1.00 0.00 C ATOM 146 C LEU A 3 7.151 8.170 7.734 1.00 0.00 C ATOM 147 O LEU A 3 6.747 8.954 8.570 1.00 0.00 O ATOM 148 CB LEU A 3 9.414 8.620 6.735 1.00 0.00 C ATOM 149 CG LEU A 3 9.344 10.074 7.188 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.656 10.771 6.825 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.179 10.768 6.478 1.00 0.00 C ATOM 0 H LEU A 3 8.856 6.377 6.071 1.00 0.00 H new ATOM 0 HA LEU A 3 8.989 7.784 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.452 8.290 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.020 8.527 5.723 1.00 0.00 H new ATOM 0 HG LEU A 3 9.190 10.122 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.616 11.812 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.485 10.270 7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.804 10.729 5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.125 11.808 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.334 10.728 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.247 10.262 6.729 1.00 0.00 H new ATOM 163 N THR A 4 6.354 7.652 6.845 1.00 0.00 N ATOM 164 CA THR A 4 4.909 8.013 6.829 1.00 0.00 C ATOM 165 C THR A 4 4.084 6.847 6.283 1.00 0.00 C ATOM 166 O THR A 4 4.528 6.102 5.431 1.00 0.00 O ATOM 167 CB THR A 4 4.801 9.222 5.901 1.00 0.00 C ATOM 168 OG1 THR A 4 5.554 10.300 6.438 1.00 0.00 O ATOM 169 CG2 THR A 4 3.335 9.638 5.770 1.00 0.00 C ATOM 0 H THR A 4 6.642 6.990 6.124 1.00 0.00 H new ATOM 0 HA THR A 4 4.532 8.237 7.827 1.00 0.00 H new ATOM 0 HB THR A 4 5.192 8.960 4.918 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.486 11.075 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.259 10.500 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.758 8.811 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.942 9.899 6.752 1.00 0.00 H new ATOM 177 N LYS A 5 2.887 6.685 6.767 1.00 0.00 N ATOM 178 CA LYS A 5 2.025 5.583 6.286 1.00 0.00 C ATOM 179 C LYS A 5 0.900 6.168 5.424 1.00 0.00 C ATOM 180 O LYS A 5 0.736 7.372 5.370 1.00 0.00 O ATOM 181 CB LYS A 5 1.480 4.953 7.573 1.00 0.00 C ATOM 182 CG LYS A 5 0.613 5.971 8.319 1.00 0.00 C ATOM 183 CD LYS A 5 -0.793 5.401 8.517 1.00 0.00 C ATOM 184 CE LYS A 5 -0.935 4.874 9.947 1.00 0.00 C ATOM 185 NZ LYS A 5 -0.642 3.415 9.855 1.00 0.00 N ATOM 0 H LYS A 5 2.468 7.278 7.483 1.00 0.00 H new ATOM 0 HA LYS A 5 2.544 4.850 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.893 4.066 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.304 4.628 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.060 6.206 9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.563 6.903 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.539 6.172 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.975 4.598 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.240 5.374 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.938 5.051 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.403 3.049 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.478 2.915 9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.160 3.262 9.211 1.00 0.00 H new ATOM 199 N PRO A 6 0.160 5.312 4.772 1.00 0.00 N ATOM 200 CA PRO A 6 -0.947 5.791 3.912 1.00 0.00 C ATOM 201 C PRO A 6 -2.094 6.314 4.786 1.00 0.00 C ATOM 202 O PRO A 6 -2.155 6.043 5.969 1.00 0.00 O ATOM 203 CB PRO A 6 -1.349 4.551 3.117 1.00 0.00 C ATOM 204 CG PRO A 6 -0.913 3.391 3.955 1.00 0.00 C ATOM 205 CD PRO A 6 0.271 3.848 4.772 1.00 0.00 C ATOM 0 HA PRO A 6 -0.673 6.618 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.424 4.528 2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.865 4.535 2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.723 3.060 4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.642 2.543 3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.237 3.445 5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.212 3.519 4.330 1.00 0.00 H new ATOM 213 N ARG A 7 -2.990 7.082 4.225 1.00 0.00 N ATOM 214 CA ARG A 7 -4.106 7.639 5.048 1.00 0.00 C ATOM 215 C ARG A 7 -5.312 6.696 5.075 1.00 0.00 C ATOM 216 O ARG A 7 -6.329 6.998 5.668 1.00 0.00 O ATOM 217 CB ARG A 7 -4.475 8.959 4.371 1.00 0.00 C ATOM 218 CG ARG A 7 -4.887 8.692 2.923 1.00 0.00 C ATOM 219 CD ARG A 7 -6.059 9.601 2.548 1.00 0.00 C ATOM 220 NE ARG A 7 -5.546 10.987 2.730 1.00 0.00 N ATOM 221 CZ ARG A 7 -5.971 11.945 1.955 1.00 0.00 C ATOM 222 NH1 ARG A 7 -6.056 11.753 0.667 1.00 0.00 N ATOM 223 NH2 ARG A 7 -6.313 13.096 2.467 1.00 0.00 N ATOM 0 H ARG A 7 -2.999 7.347 3.240 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.805 7.772 6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.291 9.440 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.627 9.644 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.045 8.873 2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.171 7.647 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.378 9.430 1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.923 9.413 3.185 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.863 11.187 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.790 10.853 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.389 12.503 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.248 13.246 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.646 13.845 1.860 1.00 0.00 H new ATOM 237 N SER A 8 -5.201 5.552 4.467 1.00 0.00 N ATOM 238 CA SER A 8 -6.332 4.583 4.478 1.00 0.00 C ATOM 239 C SER A 8 -7.634 5.247 4.012 1.00 0.00 C ATOM 240 O SER A 8 -7.693 6.439 3.787 1.00 0.00 O ATOM 241 CB SER A 8 -6.465 4.131 5.931 1.00 0.00 C ATOM 242 OG SER A 8 -5.342 4.565 6.692 1.00 0.00 O ATOM 0 H SER A 8 -4.372 5.243 3.960 1.00 0.00 H new ATOM 0 HA SER A 8 -6.145 3.750 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.382 4.535 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.544 3.045 5.975 1.00 0.00 H new ATOM 0 HG SER A 8 -5.442 4.269 7.621 1.00 0.00 H new ATOM 248 N MET A 9 -8.684 4.477 3.872 1.00 0.00 N ATOM 249 CA MET A 9 -9.989 5.044 3.432 1.00 0.00 C ATOM 250 C MET A 9 -11.044 3.941 3.349 1.00 0.00 C ATOM 251 O MET A 9 -10.763 2.777 3.553 1.00 0.00 O ATOM 252 CB MET A 9 -9.745 5.618 2.043 1.00 0.00 C ATOM 253 CG MET A 9 -10.610 6.861 1.850 1.00 0.00 C ATOM 254 SD MET A 9 -10.034 7.794 0.412 1.00 0.00 S ATOM 255 CE MET A 9 -8.615 8.587 1.204 1.00 0.00 C ATOM 0 H MET A 9 -8.690 3.472 4.046 1.00 0.00 H new ATOM 0 HA MET A 9 -10.349 5.799 4.131 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.692 5.872 1.922 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.983 4.874 1.283 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.652 6.572 1.713 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.567 7.487 2.741 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.789 9.661 1.272 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.481 8.177 2.205 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.718 8.402 0.613 1.00 0.00 H new ATOM 265 N THR A 10 -12.255 4.303 3.043 1.00 0.00 N ATOM 266 CA THR A 10 -13.335 3.278 2.934 1.00 0.00 C ATOM 267 C THR A 10 -14.416 3.734 1.957 1.00 0.00 C ATOM 268 O THR A 10 -14.872 4.860 1.992 1.00 0.00 O ATOM 269 CB THR A 10 -13.896 3.134 4.351 1.00 0.00 C ATOM 270 OG1 THR A 10 -12.904 2.556 5.189 1.00 0.00 O ATOM 271 CG2 THR A 10 -15.133 2.232 4.333 1.00 0.00 C ATOM 0 H THR A 10 -12.548 5.263 2.863 1.00 0.00 H new ATOM 0 HA THR A 10 -12.961 2.328 2.552 1.00 0.00 H new ATOM 0 HB THR A 10 -14.176 4.117 4.730 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.882 1.586 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.527 2.134 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.894 2.671 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.860 1.247 3.953 1.00 0.00 H new ATOM 279 N VAL A 11 -14.827 2.857 1.087 1.00 0.00 N ATOM 280 CA VAL A 11 -15.877 3.213 0.102 1.00 0.00 C ATOM 281 C VAL A 11 -16.715 1.983 -0.233 1.00 0.00 C ATOM 282 O VAL A 11 -16.554 0.935 0.353 1.00 0.00 O ATOM 283 CB VAL A 11 -15.117 3.695 -1.129 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.450 5.027 -0.815 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.039 2.683 -1.521 1.00 0.00 C ATOM 0 H VAL A 11 -14.476 1.902 1.017 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.561 3.973 0.480 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.820 3.807 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.905 5.377 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.210 5.760 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.757 4.900 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.506 3.042 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.337 2.561 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.505 1.724 -1.745 1.00 0.00 H new ATOM 295 N TYR A 12 -17.598 2.102 -1.182 1.00 0.00 N ATOM 296 CA TYR A 12 -18.439 0.937 -1.578 1.00 0.00 C ATOM 297 C TYR A 12 -17.801 0.217 -2.766 1.00 0.00 C ATOM 298 O TYR A 12 -18.256 -0.821 -3.204 1.00 0.00 O ATOM 299 CB TYR A 12 -19.765 1.546 -1.992 1.00 0.00 C ATOM 300 CG TYR A 12 -20.845 1.058 -1.067 1.00 0.00 C ATOM 301 CD1 TYR A 12 -20.855 1.467 0.269 1.00 0.00 C ATOM 302 CD2 TYR A 12 -21.833 0.198 -1.549 1.00 0.00 C ATOM 303 CE1 TYR A 12 -21.863 1.013 1.129 1.00 0.00 C ATOM 304 CE2 TYR A 12 -22.841 -0.257 -0.692 1.00 0.00 C ATOM 305 CZ TYR A 12 -22.856 0.151 0.648 1.00 0.00 C ATOM 306 OH TYR A 12 -23.848 -0.300 1.494 1.00 0.00 O ATOM 0 H TYR A 12 -17.776 2.960 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.549 0.208 -0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.705 2.634 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.999 1.271 -3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.088 2.131 0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.819 -0.116 -2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -21.874 1.328 2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.607 -0.922 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.457 -0.888 1.000 1.00 0.00 H new ATOM 316 N GLU A 13 -16.758 0.778 -3.297 1.00 0.00 N ATOM 317 CA GLU A 13 -16.076 0.154 -4.459 1.00 0.00 C ATOM 318 C GLU A 13 -14.804 0.954 -4.786 1.00 0.00 C ATOM 319 O GLU A 13 -13.959 1.152 -3.934 1.00 0.00 O ATOM 320 CB GLU A 13 -17.105 0.211 -5.596 1.00 0.00 C ATOM 321 CG GLU A 13 -17.585 1.651 -5.780 1.00 0.00 C ATOM 322 CD GLU A 13 -18.380 1.763 -7.083 1.00 0.00 C ATOM 323 OE1 GLU A 13 -17.771 1.668 -8.136 1.00 0.00 O ATOM 324 OE2 GLU A 13 -19.584 1.943 -7.005 1.00 0.00 O ATOM 0 H GLU A 13 -16.343 1.652 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.758 -0.873 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.661 -0.156 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.950 -0.439 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.207 1.949 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.732 2.329 -5.803 1.00 0.00 H new ATOM 331 N GLY A 14 -14.648 1.416 -5.997 1.00 0.00 N ATOM 332 CA GLY A 14 -13.428 2.191 -6.341 1.00 0.00 C ATOM 333 C GLY A 14 -13.697 3.687 -6.169 1.00 0.00 C ATOM 334 O GLY A 14 -13.109 4.512 -6.841 1.00 0.00 O ATOM 0 H GLY A 14 -15.313 1.289 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.600 1.885 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.131 1.982 -7.369 1.00 0.00 H new ATOM 338 N GLU A 15 -14.564 4.051 -5.261 1.00 0.00 N ATOM 339 CA GLU A 15 -14.842 5.497 -5.042 1.00 0.00 C ATOM 340 C GLU A 15 -13.836 6.066 -4.038 1.00 0.00 C ATOM 341 O GLU A 15 -13.808 7.250 -3.771 1.00 0.00 O ATOM 342 CB GLU A 15 -16.261 5.548 -4.474 1.00 0.00 C ATOM 343 CG GLU A 15 -17.268 5.232 -5.582 1.00 0.00 C ATOM 344 CD GLU A 15 -17.842 6.537 -6.137 1.00 0.00 C ATOM 345 OE1 GLU A 15 -17.105 7.506 -6.203 1.00 0.00 O ATOM 346 OE2 GLU A 15 -19.012 6.544 -6.488 1.00 0.00 O ATOM 0 H GLU A 15 -15.089 3.411 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.755 6.085 -5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.364 4.831 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.462 6.535 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.783 4.668 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.071 4.606 -5.191 1.00 0.00 H new ATOM 353 N SER A 16 -13.005 5.223 -3.482 1.00 0.00 N ATOM 354 CA SER A 16 -11.997 5.701 -2.502 1.00 0.00 C ATOM 355 C SER A 16 -11.079 6.728 -3.158 1.00 0.00 C ATOM 356 O SER A 16 -11.409 7.314 -4.169 1.00 0.00 O ATOM 357 CB SER A 16 -11.223 4.440 -2.109 1.00 0.00 C ATOM 358 OG SER A 16 -10.974 3.668 -3.276 1.00 0.00 O ATOM 0 H SER A 16 -12.985 4.220 -3.668 1.00 0.00 H new ATOM 0 HA SER A 16 -12.442 6.192 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.283 4.710 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.795 3.857 -1.387 1.00 0.00 H new ATOM 0 HG SER A 16 -10.438 4.193 -3.907 1.00 0.00 H new ATOM 364 N ALA A 17 -9.935 6.950 -2.590 1.00 0.00 N ATOM 365 CA ALA A 17 -8.995 7.946 -3.177 1.00 0.00 C ATOM 366 C ALA A 17 -7.595 7.341 -3.301 1.00 0.00 C ATOM 367 O ALA A 17 -7.439 6.152 -3.502 1.00 0.00 O ATOM 368 CB ALA A 17 -8.992 9.116 -2.192 1.00 0.00 C ATOM 0 H ALA A 17 -9.605 6.487 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.294 8.258 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.321 9.895 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.001 9.519 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.652 8.769 -1.216 1.00 0.00 H new ATOM 374 N ARG A 18 -6.576 8.148 -3.183 1.00 0.00 N ATOM 375 CA ARG A 18 -5.190 7.616 -3.296 1.00 0.00 C ATOM 376 C ARG A 18 -4.523 7.591 -1.920 1.00 0.00 C ATOM 377 O ARG A 18 -4.950 8.260 -0.999 1.00 0.00 O ATOM 378 CB ARG A 18 -4.466 8.586 -4.228 1.00 0.00 C ATOM 379 CG ARG A 18 -4.546 10.002 -3.656 1.00 0.00 C ATOM 380 CD ARG A 18 -5.450 10.860 -4.542 1.00 0.00 C ATOM 381 NE ARG A 18 -6.321 11.606 -3.592 1.00 0.00 N ATOM 382 CZ ARG A 18 -6.600 12.862 -3.811 1.00 0.00 C ATOM 383 NH1 ARG A 18 -6.690 13.308 -5.033 1.00 0.00 N ATOM 384 NH2 ARG A 18 -6.788 13.673 -2.804 1.00 0.00 N ATOM 0 H ARG A 18 -6.644 9.151 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.168 6.595 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.424 8.287 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.916 8.558 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.937 9.973 -2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.550 10.441 -3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.866 11.541 -5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.041 10.243 -5.219 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.700 11.135 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.542 12.675 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.908 14.290 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.717 13.324 -1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.006 14.655 -2.974 1.00 0.00 H new ATOM 398 N PHE A 19 -3.478 6.827 -1.779 1.00 0.00 N ATOM 399 CA PHE A 19 -2.773 6.749 -0.464 1.00 0.00 C ATOM 400 C PHE A 19 -1.274 6.925 -0.677 1.00 0.00 C ATOM 401 O PHE A 19 -0.772 6.762 -1.771 1.00 0.00 O ATOM 402 CB PHE A 19 -3.064 5.342 0.083 1.00 0.00 C ATOM 403 CG PHE A 19 -4.542 5.049 -0.008 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.468 6.019 0.380 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.984 3.812 -0.490 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.836 5.759 0.284 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.352 3.549 -0.585 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.281 4.522 -0.199 1.00 0.00 C ATOM 0 H PHE A 19 -3.078 6.250 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.107 7.525 0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.502 4.599 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.734 5.270 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.125 6.972 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.267 3.061 -0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.551 6.511 0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.693 2.594 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.339 4.319 -0.273 1.00 0.00 H new ATOM 418 N SER A 20 -0.545 7.248 0.354 1.00 0.00 N ATOM 419 CA SER A 20 0.921 7.415 0.180 1.00 0.00 C ATOM 420 C SER A 20 1.670 7.079 1.457 1.00 0.00 C ATOM 421 O SER A 20 1.417 7.623 2.513 1.00 0.00 O ATOM 422 CB SER A 20 1.135 8.876 -0.185 1.00 0.00 C ATOM 423 OG SER A 20 2.474 9.243 0.128 1.00 0.00 O ATOM 0 H SER A 20 -0.897 7.402 1.299 1.00 0.00 H new ATOM 0 HA SER A 20 1.299 6.743 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.941 9.031 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.435 9.507 0.362 1.00 0.00 H new ATOM 0 HG SER A 20 2.619 10.183 -0.106 1.00 0.00 H new ATOM 429 N CYS A 21 2.617 6.209 1.344 1.00 0.00 N ATOM 430 CA CYS A 21 3.440 5.834 2.516 1.00 0.00 C ATOM 431 C CYS A 21 4.890 6.201 2.220 1.00 0.00 C ATOM 432 O CYS A 21 5.469 5.730 1.268 1.00 0.00 O ATOM 433 CB CYS A 21 3.283 4.323 2.661 1.00 0.00 C ATOM 434 SG CYS A 21 3.755 3.495 1.121 1.00 0.00 S ATOM 0 H CYS A 21 2.862 5.732 0.476 1.00 0.00 H new ATOM 0 HA CYS A 21 3.140 6.344 3.431 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.904 3.963 3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.251 4.080 2.912 1.00 0.00 H new ATOM 0 HG CYS A 21 2.716 2.905 0.609 1.00 0.00 H new ATOM 440 N ASP A 22 5.485 7.046 3.004 1.00 0.00 N ATOM 441 CA ASP A 22 6.895 7.428 2.714 1.00 0.00 C ATOM 442 C ASP A 22 7.844 6.476 3.427 1.00 0.00 C ATOM 443 O ASP A 22 7.534 5.943 4.470 1.00 0.00 O ATOM 444 CB ASP A 22 7.064 8.854 3.237 1.00 0.00 C ATOM 445 CG ASP A 22 5.908 9.735 2.748 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.201 9.309 1.849 1.00 0.00 O ATOM 447 OD2 ASP A 22 5.750 10.820 3.284 1.00 0.00 O ATOM 0 H ASP A 22 5.067 7.486 3.824 1.00 0.00 H new ATOM 0 HA ASP A 22 7.120 7.374 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.092 8.849 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.014 9.265 2.896 1.00 0.00 H new ATOM 452 N THR A 23 8.999 6.260 2.868 1.00 0.00 N ATOM 453 CA THR A 23 9.978 5.343 3.513 1.00 0.00 C ATOM 454 C THR A 23 11.398 5.786 3.178 1.00 0.00 C ATOM 455 O THR A 23 11.716 6.089 2.049 1.00 0.00 O ATOM 456 CB THR A 23 9.722 3.947 2.925 1.00 0.00 C ATOM 457 OG1 THR A 23 10.238 3.891 1.604 1.00 0.00 O ATOM 458 CG2 THR A 23 8.223 3.633 2.900 1.00 0.00 C ATOM 0 H THR A 23 9.309 6.679 1.991 1.00 0.00 H new ATOM 0 HA THR A 23 9.866 5.345 4.597 1.00 0.00 H new ATOM 0 HB THR A 23 10.221 3.208 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.540 4.783 1.333 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.066 2.640 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.828 3.664 3.915 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.707 4.372 2.287 1.00 0.00 H new ATOM 466 N ASP A 24 12.255 5.813 4.150 1.00 0.00 N ATOM 467 CA ASP A 24 13.663 6.215 3.895 1.00 0.00 C ATOM 468 C ASP A 24 14.572 4.997 4.050 1.00 0.00 C ATOM 469 O ASP A 24 14.279 4.091 4.807 1.00 0.00 O ATOM 470 CB ASP A 24 13.976 7.253 4.965 1.00 0.00 C ATOM 471 CG ASP A 24 13.130 8.505 4.730 1.00 0.00 C ATOM 472 OD1 ASP A 24 13.455 9.253 3.822 1.00 0.00 O ATOM 473 OD2 ASP A 24 12.173 8.696 5.460 1.00 0.00 O ATOM 0 H ASP A 24 12.042 5.573 5.118 1.00 0.00 H new ATOM 0 HA ASP A 24 13.814 6.612 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.770 6.844 5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.035 7.508 4.939 1.00 0.00 H new ATOM 478 N GLY A 25 15.666 4.956 3.344 1.00 0.00 N ATOM 479 CA GLY A 25 16.572 3.779 3.471 1.00 0.00 C ATOM 480 C GLY A 25 17.724 3.882 2.474 1.00 0.00 C ATOM 481 O GLY A 25 17.922 4.893 1.830 1.00 0.00 O ATOM 0 H GLY A 25 15.971 5.677 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.965 3.723 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.012 2.861 3.295 1.00 0.00 H new ATOM 485 N GLU A 26 18.490 2.833 2.349 1.00 0.00 N ATOM 486 CA GLU A 26 19.642 2.845 1.404 1.00 0.00 C ATOM 487 C GLU A 26 20.177 1.409 1.219 1.00 0.00 C ATOM 488 O GLU A 26 20.495 0.758 2.194 1.00 0.00 O ATOM 489 CB GLU A 26 20.691 3.721 2.089 1.00 0.00 C ATOM 490 CG GLU A 26 21.922 3.845 1.191 1.00 0.00 C ATOM 491 CD GLU A 26 22.279 5.322 1.019 1.00 0.00 C ATOM 492 OE1 GLU A 26 22.768 5.906 1.972 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.058 5.844 -0.062 1.00 0.00 O ATOM 0 H GLU A 26 18.366 1.962 2.865 1.00 0.00 H new ATOM 0 HA GLU A 26 19.375 3.220 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.277 4.708 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.971 3.287 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.761 3.305 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.724 3.392 0.220 1.00 0.00 H new ATOM 500 N PRO A 27 20.261 0.937 -0.013 1.00 0.00 N ATOM 501 CA PRO A 27 19.871 1.733 -1.212 1.00 0.00 C ATOM 502 C PRO A 27 18.353 1.935 -1.249 1.00 0.00 C ATOM 503 O PRO A 27 17.660 1.668 -0.288 1.00 0.00 O ATOM 504 CB PRO A 27 20.336 0.876 -2.385 1.00 0.00 C ATOM 505 CG PRO A 27 20.378 -0.516 -1.850 1.00 0.00 C ATOM 506 CD PRO A 27 20.718 -0.407 -0.387 1.00 0.00 C ATOM 0 HA PRO A 27 20.310 2.730 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.650 0.955 -3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.316 1.192 -2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.418 -1.013 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.124 -1.111 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 27 20.214 -1.177 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.788 -0.526 -0.216 1.00 0.00 H new ATOM 514 N VAL A 28 17.847 2.419 -2.354 1.00 0.00 N ATOM 515 CA VAL A 28 16.372 2.667 -2.487 1.00 0.00 C ATOM 516 C VAL A 28 15.553 1.526 -1.856 1.00 0.00 C ATOM 517 O VAL A 28 15.912 0.372 -1.977 1.00 0.00 O ATOM 518 CB VAL A 28 16.115 2.731 -3.995 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.645 3.069 -4.247 1.00 0.00 C ATOM 520 CG2 VAL A 28 16.996 3.812 -4.624 1.00 0.00 C ATOM 0 H VAL A 28 18.395 2.657 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 28 16.073 3.581 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 28 16.352 1.765 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.461 3.115 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.013 2.299 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.411 4.034 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.810 3.854 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.762 4.778 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.045 3.575 -4.447 1.00 0.00 H new ATOM 530 N PRO A 29 14.477 1.889 -1.197 1.00 0.00 N ATOM 531 CA PRO A 29 13.612 0.887 -0.544 1.00 0.00 C ATOM 532 C PRO A 29 12.548 0.392 -1.527 1.00 0.00 C ATOM 533 O PRO A 29 12.408 0.910 -2.617 1.00 0.00 O ATOM 534 CB PRO A 29 12.958 1.680 0.583 1.00 0.00 C ATOM 535 CG PRO A 29 12.973 3.113 0.138 1.00 0.00 C ATOM 536 CD PRO A 29 13.966 3.248 -0.992 1.00 0.00 C ATOM 0 HA PRO A 29 14.153 0.007 -0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.939 1.337 0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.505 1.555 1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.980 3.419 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.250 3.765 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.491 3.633 -1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.769 3.939 -0.734 1.00 0.00 H new ATOM 544 N THR A 30 11.786 -0.591 -1.144 1.00 0.00 N ATOM 545 CA THR A 30 10.717 -1.105 -2.046 1.00 0.00 C ATOM 546 C THR A 30 9.377 -1.061 -1.312 1.00 0.00 C ATOM 547 O THR A 30 9.301 -0.622 -0.181 1.00 0.00 O ATOM 548 CB THR A 30 11.113 -2.549 -2.367 1.00 0.00 C ATOM 549 OG1 THR A 30 10.136 -3.127 -3.222 1.00 0.00 O ATOM 550 CG2 THR A 30 11.204 -3.359 -1.074 1.00 0.00 C ATOM 0 H THR A 30 11.856 -1.063 -0.243 1.00 0.00 H new ATOM 0 HA THR A 30 10.614 -0.514 -2.956 1.00 0.00 H new ATOM 0 HB THR A 30 12.083 -2.556 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.389 -4.051 -3.430 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.486 -4.386 -1.307 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.955 -2.916 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.236 -3.353 -0.572 1.00 0.00 H new ATOM 558 N VAL A 31 8.319 -1.504 -1.931 1.00 0.00 N ATOM 559 CA VAL A 31 7.002 -1.475 -1.238 1.00 0.00 C ATOM 560 C VAL A 31 6.182 -2.719 -1.578 1.00 0.00 C ATOM 561 O VAL A 31 6.191 -3.194 -2.697 1.00 0.00 O ATOM 562 CB VAL A 31 6.309 -0.183 -1.727 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.427 -0.449 -2.957 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.433 0.363 -0.604 1.00 0.00 C ATOM 0 H VAL A 31 8.308 -1.882 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 31 7.110 -1.478 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 31 7.081 0.535 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.955 0.481 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.042 -0.839 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.658 -1.178 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.939 1.275 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.681 -0.379 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.052 0.584 0.266 1.00 0.00 H new ATOM 574 N THR A 32 5.447 -3.228 -0.635 1.00 0.00 N ATOM 575 CA THR A 32 4.604 -4.408 -0.923 1.00 0.00 C ATOM 576 C THR A 32 3.267 -4.235 -0.219 1.00 0.00 C ATOM 577 O THR A 32 3.174 -4.345 0.977 1.00 0.00 O ATOM 578 CB THR A 32 5.364 -5.607 -0.359 1.00 0.00 C ATOM 579 OG1 THR A 32 6.761 -5.375 -0.461 1.00 0.00 O ATOM 580 CG2 THR A 32 4.989 -6.868 -1.139 1.00 0.00 C ATOM 0 H THR A 32 5.395 -2.876 0.321 1.00 0.00 H new ATOM 0 HA THR A 32 4.409 -4.540 -1.987 1.00 0.00 H new ATOM 0 HB THR A 32 5.098 -5.744 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.081 -4.940 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.533 -7.721 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.917 -7.045 -1.050 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.249 -6.737 -2.189 1.00 0.00 H new ATOM 588 N TRP A 33 2.232 -3.952 -0.942 1.00 0.00 N ATOM 589 CA TRP A 33 0.914 -3.753 -0.283 1.00 0.00 C ATOM 590 C TRP A 33 0.189 -5.081 -0.144 1.00 0.00 C ATOM 591 O TRP A 33 -0.251 -5.653 -1.107 1.00 0.00 O ATOM 592 CB TRP A 33 0.141 -2.834 -1.212 1.00 0.00 C ATOM 593 CG TRP A 33 0.880 -1.550 -1.367 1.00 0.00 C ATOM 594 CD1 TRP A 33 1.901 -1.356 -2.216 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.677 -0.292 -0.674 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.346 -0.049 -2.097 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.617 0.649 -1.154 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.225 0.111 0.311 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.656 1.956 -0.665 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.194 1.425 0.811 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.745 2.347 0.322 1.00 0.00 C ATOM 0 H TRP A 33 2.235 -3.849 -1.957 1.00 0.00 H new ATOM 0 HA TRP A 33 1.018 -3.335 0.718 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.008 -3.309 -2.184 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.855 -2.647 -0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.310 -2.099 -2.885 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.115 0.347 -2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.952 -0.591 0.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.383 2.659 -1.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.896 1.726 1.575 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.764 3.356 0.707 1.00 0.00 H new ATOM 612 N LEU A 34 0.056 -5.572 1.049 1.00 0.00 N ATOM 613 CA LEU A 34 -0.671 -6.855 1.242 1.00 0.00 C ATOM 614 C LEU A 34 -1.227 -6.923 2.663 1.00 0.00 C ATOM 615 O LEU A 34 -0.817 -6.181 3.533 1.00 0.00 O ATOM 616 CB LEU A 34 0.333 -7.972 0.923 1.00 0.00 C ATOM 617 CG LEU A 34 1.264 -8.251 2.099 1.00 0.00 C ATOM 618 CD1 LEU A 34 1.971 -9.579 1.840 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.295 -7.126 2.211 1.00 0.00 C ATOM 0 H LEU A 34 0.418 -5.143 1.901 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.535 -6.956 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.207 -8.883 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.923 -7.692 0.051 1.00 0.00 H new ATOM 0 HG LEU A 34 0.699 -8.303 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.644 -9.801 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.231 -10.374 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.544 -9.512 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.961 -7.325 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.877 -7.073 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.782 -6.177 2.371 1.00 0.00 H new ATOM 631 N ARG A 35 -2.166 -7.789 2.906 1.00 0.00 N ATOM 632 CA ARG A 35 -2.749 -7.872 4.270 1.00 0.00 C ATOM 633 C ARG A 35 -3.450 -9.215 4.466 1.00 0.00 C ATOM 634 O ARG A 35 -3.295 -9.874 5.475 1.00 0.00 O ATOM 635 CB ARG A 35 -3.753 -6.721 4.300 1.00 0.00 C ATOM 636 CG ARG A 35 -4.625 -6.811 5.558 1.00 0.00 C ATOM 637 CD ARG A 35 -3.759 -6.635 6.808 1.00 0.00 C ATOM 638 NE ARG A 35 -4.388 -7.511 7.835 1.00 0.00 N ATOM 639 CZ ARG A 35 -3.656 -8.044 8.773 1.00 0.00 C ATOM 640 NH1 ARG A 35 -2.963 -9.122 8.525 1.00 0.00 N ATOM 641 NH2 ARG A 35 -3.620 -7.503 9.960 1.00 0.00 N ATOM 0 H ARG A 35 -2.554 -8.440 2.223 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.004 -7.800 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.225 -5.768 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.381 -6.754 3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.398 -6.043 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.133 -7.775 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.726 -6.927 6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.741 -5.595 7.133 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.391 -7.694 7.805 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.994 -9.547 7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.390 -9.540 9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.165 -6.663 10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.047 -7.920 10.694 1.00 0.00 H new ATOM 655 N LYS A 36 -4.219 -9.610 3.503 1.00 0.00 N ATOM 656 CA LYS A 36 -4.952 -10.902 3.593 1.00 0.00 C ATOM 657 C LYS A 36 -5.522 -11.246 2.220 1.00 0.00 C ATOM 658 O LYS A 36 -5.486 -12.378 1.783 1.00 0.00 O ATOM 659 CB LYS A 36 -6.074 -10.661 4.602 1.00 0.00 C ATOM 660 CG LYS A 36 -6.478 -11.991 5.242 1.00 0.00 C ATOM 661 CD LYS A 36 -7.751 -12.514 4.572 1.00 0.00 C ATOM 662 CE LYS A 36 -7.536 -13.963 4.130 1.00 0.00 C ATOM 663 NZ LYS A 36 -8.888 -14.452 3.744 1.00 0.00 N ATOM 0 H LYS A 36 -4.377 -9.088 2.641 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.315 -11.730 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.743 -9.961 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.933 -10.208 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.673 -12.718 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.646 -11.857 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.590 -12.455 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.003 -11.894 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.841 -14.021 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.114 -14.563 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.823 -15.441 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.526 -14.391 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.261 -13.866 2.970 1.00 0.00 H new ATOM 677 N GLY A 37 -6.035 -10.264 1.526 1.00 0.00 N ATOM 678 CA GLY A 37 -6.591 -10.517 0.168 1.00 0.00 C ATOM 679 C GLY A 37 -5.527 -11.220 -0.676 1.00 0.00 C ATOM 680 O GLY A 37 -5.740 -12.296 -1.198 1.00 0.00 O ATOM 0 H GLY A 37 -6.092 -9.296 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.487 -11.134 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.885 -9.578 -0.301 1.00 0.00 H new ATOM 684 N GLN A 38 -4.380 -10.615 -0.787 1.00 0.00 N ATOM 685 CA GLN A 38 -3.261 -11.217 -1.574 1.00 0.00 C ATOM 686 C GLN A 38 -2.036 -10.291 -1.503 1.00 0.00 C ATOM 687 O GLN A 38 -1.277 -10.328 -0.555 1.00 0.00 O ATOM 688 CB GLN A 38 -3.795 -11.350 -3.007 1.00 0.00 C ATOM 689 CG GLN A 38 -2.686 -11.870 -3.923 1.00 0.00 C ATOM 690 CD GLN A 38 -3.020 -11.518 -5.373 1.00 0.00 C ATOM 691 OE1 GLN A 38 -3.741 -10.574 -5.627 1.00 0.00 O ATOM 692 NE2 GLN A 38 -2.527 -12.243 -6.339 1.00 0.00 N ATOM 0 H GLN A 38 -4.163 -9.714 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.944 -12.188 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.646 -12.031 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.152 -10.384 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.730 -11.430 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.584 -12.950 -3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.922 -13.035 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.747 -12.017 -7.309 1.00 0.00 H new ATOM 701 N VAL A 39 -1.842 -9.454 -2.484 1.00 0.00 N ATOM 702 CA VAL A 39 -0.682 -8.520 -2.464 1.00 0.00 C ATOM 703 C VAL A 39 -1.065 -7.179 -3.101 1.00 0.00 C ATOM 704 O VAL A 39 -0.214 -6.373 -3.418 1.00 0.00 O ATOM 705 CB VAL A 39 0.411 -9.205 -3.284 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.848 -10.492 -2.586 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.124 -9.535 -4.682 1.00 0.00 C ATOM 0 H VAL A 39 -2.442 -9.377 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.352 -8.309 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 39 1.266 -8.535 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.627 -10.978 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.235 -10.255 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.006 -11.163 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.657 -10.023 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.982 -10.201 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.428 -8.615 -5.182 1.00 0.00 H new ATOM 717 N LEU A 40 -2.339 -6.931 -3.295 1.00 0.00 N ATOM 718 CA LEU A 40 -2.768 -5.640 -3.914 1.00 0.00 C ATOM 719 C LEU A 40 -1.949 -5.417 -5.206 1.00 0.00 C ATOM 720 O LEU A 40 -2.170 -6.087 -6.195 1.00 0.00 O ATOM 721 CB LEU A 40 -2.483 -4.548 -2.854 1.00 0.00 C ATOM 722 CG LEU A 40 -3.450 -4.656 -1.653 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.155 -5.909 -0.836 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.273 -3.449 -0.725 1.00 0.00 C ATOM 0 H LEU A 40 -3.098 -7.567 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.822 -5.625 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.455 -4.639 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.578 -3.563 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.465 -4.695 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.846 -5.966 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.275 -6.791 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.132 -5.867 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.959 -3.535 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.247 -3.420 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.487 -2.533 -1.275 1.00 0.00 H new ATOM 736 N SER A 41 -0.986 -4.514 -5.181 1.00 0.00 N ATOM 737 CA SER A 41 -0.103 -4.245 -6.371 1.00 0.00 C ATOM 738 C SER A 41 -0.764 -4.557 -7.716 1.00 0.00 C ATOM 739 O SER A 41 -0.599 -5.637 -8.246 1.00 0.00 O ATOM 740 CB SER A 41 1.099 -5.156 -6.169 1.00 0.00 C ATOM 741 OG SER A 41 0.647 -6.494 -6.005 1.00 0.00 O ATOM 0 H SER A 41 -0.772 -3.940 -4.366 1.00 0.00 H new ATOM 0 HA SER A 41 0.144 -3.184 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.770 -5.088 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.667 -4.841 -5.293 1.00 0.00 H new ATOM 0 HG SER A 41 0.433 -6.654 -5.062 1.00 0.00 H new ATOM 747 N THR A 42 -1.468 -3.596 -8.271 1.00 0.00 N ATOM 748 CA THR A 42 -2.143 -3.750 -9.609 1.00 0.00 C ATOM 749 C THR A 42 -2.462 -5.213 -9.942 1.00 0.00 C ATOM 750 O THR A 42 -2.246 -5.669 -11.046 1.00 0.00 O ATOM 751 CB THR A 42 -1.144 -3.188 -10.625 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.091 -4.122 -10.820 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.565 -1.858 -10.132 1.00 0.00 C ATOM 0 H THR A 42 -1.608 -2.682 -7.840 1.00 0.00 H new ATOM 0 HA THR A 42 -3.101 -3.230 -9.617 1.00 0.00 H new ATOM 0 HB THR A 42 -1.663 -3.014 -11.568 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.424 -4.889 -11.331 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.143 -1.474 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.372 -1.138 -9.995 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.053 -2.014 -9.182 1.00 0.00 H new ATOM 761 N SER A 43 -2.953 -5.953 -8.991 1.00 0.00 N ATOM 762 CA SER A 43 -3.260 -7.386 -9.254 1.00 0.00 C ATOM 763 C SER A 43 -4.320 -7.520 -10.349 1.00 0.00 C ATOM 764 O SER A 43 -4.262 -8.410 -11.173 1.00 0.00 O ATOM 765 CB SER A 43 -3.770 -7.932 -7.930 1.00 0.00 C ATOM 766 OG SER A 43 -2.887 -8.946 -7.477 1.00 0.00 O ATOM 0 H SER A 43 -3.155 -5.630 -8.045 1.00 0.00 H new ATOM 0 HA SER A 43 -2.386 -7.934 -9.607 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.834 -7.132 -7.193 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.775 -8.335 -8.051 1.00 0.00 H new ATOM 0 HG SER A 43 -3.361 -9.540 -6.858 1.00 0.00 H new ATOM 772 N ALA A 44 -5.288 -6.642 -10.367 1.00 0.00 N ATOM 773 CA ALA A 44 -6.354 -6.716 -11.415 1.00 0.00 C ATOM 774 C ALA A 44 -7.406 -5.632 -11.179 1.00 0.00 C ATOM 775 O ALA A 44 -7.999 -5.110 -12.104 1.00 0.00 O ATOM 776 CB ALA A 44 -6.985 -8.103 -11.266 1.00 0.00 C ATOM 0 H ALA A 44 -5.388 -5.875 -9.702 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.947 -6.561 -12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.776 -8.224 -12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.224 -8.868 -11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.405 -8.206 -10.265 1.00 0.00 H new ATOM 782 N ARG A 45 -7.652 -5.300 -9.946 1.00 0.00 N ATOM 783 CA ARG A 45 -8.680 -4.259 -9.641 1.00 0.00 C ATOM 784 C ARG A 45 -8.046 -3.089 -8.880 1.00 0.00 C ATOM 785 O ARG A 45 -8.637 -2.038 -8.737 1.00 0.00 O ATOM 786 CB ARG A 45 -9.729 -4.952 -8.755 1.00 0.00 C ATOM 787 CG ARG A 45 -9.987 -6.380 -9.250 1.00 0.00 C ATOM 788 CD ARG A 45 -11.400 -6.815 -8.858 1.00 0.00 C ATOM 789 NE ARG A 45 -11.272 -8.254 -8.496 1.00 0.00 N ATOM 790 CZ ARG A 45 -11.803 -8.696 -7.389 1.00 0.00 C ATOM 791 NH1 ARG A 45 -11.378 -8.251 -6.238 1.00 0.00 N ATOM 792 NH2 ARG A 45 -12.758 -9.584 -7.432 1.00 0.00 N ATOM 0 H ARG A 45 -7.188 -5.702 -9.132 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.120 -3.856 -10.553 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.383 -4.975 -7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.658 -4.382 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.869 -6.427 -10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.254 -7.062 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.775 -6.229 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.099 -6.676 -9.683 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.770 -8.893 -9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.631 -7.558 -6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.793 -8.597 -5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.090 -9.933 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.173 -9.929 -6.566 1.00 0.00 H new ATOM 806 N HIS A 46 -6.856 -3.268 -8.381 1.00 0.00 N ATOM 807 CA HIS A 46 -6.192 -2.173 -7.620 1.00 0.00 C ATOM 808 C HIS A 46 -5.160 -1.466 -8.504 1.00 0.00 C ATOM 809 O HIS A 46 -4.922 -1.854 -9.631 1.00 0.00 O ATOM 810 CB HIS A 46 -5.477 -2.822 -6.413 1.00 0.00 C ATOM 811 CG HIS A 46 -5.962 -4.228 -6.125 1.00 0.00 C ATOM 812 ND1 HIS A 46 -6.907 -4.499 -5.149 1.00 0.00 N ATOM 813 CD2 HIS A 46 -5.626 -5.444 -6.667 1.00 0.00 C ATOM 814 CE1 HIS A 46 -7.102 -5.830 -5.132 1.00 0.00 C ATOM 815 NE2 HIS A 46 -6.346 -6.454 -6.037 1.00 0.00 N ATOM 0 H HIS A 46 -6.313 -4.127 -8.467 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.926 -1.436 -7.294 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.404 -2.845 -6.603 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.631 -2.202 -5.530 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.911 -5.594 -7.462 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.788 -6.333 -4.466 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.305 -7.455 -6.226 1.00 0.00 H new ATOM 823 N GLN A 47 -4.542 -0.431 -7.996 1.00 0.00 N ATOM 824 CA GLN A 47 -3.521 0.303 -8.798 1.00 0.00 C ATOM 825 C GLN A 47 -2.467 0.919 -7.868 1.00 0.00 C ATOM 826 O GLN A 47 -2.679 1.963 -7.284 1.00 0.00 O ATOM 827 CB GLN A 47 -4.308 1.398 -9.528 1.00 0.00 C ATOM 828 CG GLN A 47 -3.342 2.360 -10.228 1.00 0.00 C ATOM 829 CD GLN A 47 -2.449 1.582 -11.194 1.00 0.00 C ATOM 830 OE1 GLN A 47 -2.929 0.796 -11.987 1.00 0.00 O ATOM 831 NE2 GLN A 47 -1.157 1.767 -11.161 1.00 0.00 N ATOM 0 H GLN A 47 -4.702 -0.063 -7.058 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.989 -0.346 -9.493 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.980 0.948 -10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.929 1.945 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.902 3.123 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.730 2.878 -9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.753 2.426 -10.496 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.552 1.252 -11.800 1.00 0.00 H new ATOM 840 N VAL A 48 -1.333 0.285 -7.722 1.00 0.00 N ATOM 841 CA VAL A 48 -0.284 0.851 -6.827 1.00 0.00 C ATOM 842 C VAL A 48 0.864 1.445 -7.659 1.00 0.00 C ATOM 843 O VAL A 48 0.996 1.185 -8.839 1.00 0.00 O ATOM 844 CB VAL A 48 0.181 -0.331 -5.938 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.610 -0.788 -6.283 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.144 0.108 -4.473 1.00 0.00 C ATOM 0 H VAL A 48 -1.090 -0.593 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.656 1.670 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.492 -1.170 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.893 -1.618 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.648 -1.111 -7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.303 0.041 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.469 -0.716 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.809 0.960 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.873 0.394 -4.204 1.00 0.00 H new ATOM 856 N THR A 49 1.694 2.226 -7.036 1.00 0.00 N ATOM 857 CA THR A 49 2.849 2.837 -7.758 1.00 0.00 C ATOM 858 C THR A 49 3.989 3.098 -6.770 1.00 0.00 C ATOM 859 O THR A 49 3.777 3.152 -5.579 1.00 0.00 O ATOM 860 CB THR A 49 2.317 4.153 -8.332 1.00 0.00 C ATOM 861 OG1 THR A 49 3.404 4.925 -8.824 1.00 0.00 O ATOM 862 CG2 THR A 49 1.591 4.932 -7.237 1.00 0.00 C ATOM 0 H THR A 49 1.625 2.472 -6.049 1.00 0.00 H new ATOM 0 HA THR A 49 3.241 2.191 -8.543 1.00 0.00 H new ATOM 0 HB THR A 49 1.622 3.942 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.066 5.767 -9.194 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.213 5.869 -7.647 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.758 4.339 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.283 5.146 -6.422 1.00 0.00 H new ATOM 870 N THR A 50 5.193 3.263 -7.245 1.00 0.00 N ATOM 871 CA THR A 50 6.326 3.524 -6.307 1.00 0.00 C ATOM 872 C THR A 50 7.404 4.366 -7.005 1.00 0.00 C ATOM 873 O THR A 50 7.672 4.196 -8.177 1.00 0.00 O ATOM 874 CB THR A 50 6.870 2.137 -5.938 1.00 0.00 C ATOM 875 OG1 THR A 50 5.835 1.170 -6.057 1.00 0.00 O ATOM 876 CG2 THR A 50 7.380 2.152 -4.496 1.00 0.00 C ATOM 0 H THR A 50 5.442 3.229 -8.234 1.00 0.00 H new ATOM 0 HA THR A 50 6.013 4.080 -5.423 1.00 0.00 H new ATOM 0 HB THR A 50 7.687 1.883 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.160 1.327 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.766 1.166 -4.236 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.176 2.890 -4.399 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.562 2.410 -3.823 1.00 0.00 H new ATOM 884 N THR A 51 8.023 5.274 -6.295 1.00 0.00 N ATOM 885 CA THR A 51 9.077 6.125 -6.923 1.00 0.00 C ATOM 886 C THR A 51 10.393 6.003 -6.128 1.00 0.00 C ATOM 887 O THR A 51 10.790 4.917 -5.758 1.00 0.00 O ATOM 888 CB THR A 51 8.496 7.546 -6.880 1.00 0.00 C ATOM 889 OG1 THR A 51 9.295 8.414 -7.674 1.00 0.00 O ATOM 890 CG2 THR A 51 8.455 8.058 -5.439 1.00 0.00 C ATOM 0 H THR A 51 7.844 5.463 -5.309 1.00 0.00 H new ATOM 0 HA THR A 51 9.322 5.832 -7.944 1.00 0.00 H new ATOM 0 HB THR A 51 7.480 7.524 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.921 9.319 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.041 9.066 -5.423 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.830 7.399 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.465 8.074 -5.030 1.00 0.00 H new ATOM 898 N LYS A 52 11.078 7.092 -5.869 1.00 0.00 N ATOM 899 CA LYS A 52 12.365 7.012 -5.109 1.00 0.00 C ATOM 900 C LYS A 52 12.198 6.150 -3.844 1.00 0.00 C ATOM 901 O LYS A 52 12.303 4.941 -3.898 1.00 0.00 O ATOM 902 CB LYS A 52 12.702 8.462 -4.750 1.00 0.00 C ATOM 903 CG LYS A 52 13.450 9.118 -5.913 1.00 0.00 C ATOM 904 CD LYS A 52 14.933 9.242 -5.561 1.00 0.00 C ATOM 905 CE LYS A 52 15.673 7.983 -6.017 1.00 0.00 C ATOM 906 NZ LYS A 52 17.119 8.307 -5.857 1.00 0.00 N ATOM 0 H LYS A 52 10.801 8.032 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 52 13.159 6.544 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.788 9.016 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.314 8.491 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.329 8.524 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.031 10.103 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.360 10.122 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.052 9.378 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.393 7.120 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.435 7.739 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.685 7.674 -6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.287 9.294 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.395 8.180 -4.862 1.00 0.00 H new ATOM 920 N TYR A 53 11.946 6.747 -2.706 1.00 0.00 N ATOM 921 CA TYR A 53 11.779 5.932 -1.467 1.00 0.00 C ATOM 922 C TYR A 53 10.370 6.100 -0.918 1.00 0.00 C ATOM 923 O TYR A 53 10.119 5.882 0.247 1.00 0.00 O ATOM 924 CB TYR A 53 12.768 6.482 -0.443 1.00 0.00 C ATOM 925 CG TYR A 53 14.099 6.833 -1.072 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.595 6.090 -2.148 1.00 0.00 C ATOM 927 CD2 TYR A 53 14.838 7.901 -0.559 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.832 6.418 -2.713 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.076 8.231 -1.122 1.00 0.00 C ATOM 930 CZ TYR A 53 16.574 7.489 -2.200 1.00 0.00 C ATOM 931 OH TYR A 53 17.797 7.811 -2.754 1.00 0.00 O ATOM 0 H TYR A 53 11.850 7.755 -2.583 1.00 0.00 H new ATOM 0 HA TYR A 53 11.951 4.876 -1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.345 7.369 0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.922 5.744 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.023 5.263 -2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.454 8.473 0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.215 5.845 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 53 16.647 9.057 -0.725 1.00 0.00 H new ATOM 0 HH TYR A 53 18.178 8.580 -2.281 1.00 0.00 H new ATOM 941 N LYS A 54 9.454 6.499 -1.737 1.00 0.00 N ATOM 942 CA LYS A 54 8.059 6.695 -1.247 1.00 0.00 C ATOM 943 C LYS A 54 7.074 6.046 -2.212 1.00 0.00 C ATOM 944 O LYS A 54 7.243 6.095 -3.411 1.00 0.00 O ATOM 945 CB LYS A 54 7.825 8.220 -1.164 1.00 0.00 C ATOM 946 CG LYS A 54 8.628 8.970 -2.238 1.00 0.00 C ATOM 947 CD LYS A 54 7.819 10.171 -2.734 1.00 0.00 C ATOM 948 CE LYS A 54 8.209 11.416 -1.935 1.00 0.00 C ATOM 949 NZ LYS A 54 6.945 12.193 -1.791 1.00 0.00 N ATOM 0 H LYS A 54 9.602 6.700 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 54 7.911 6.233 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.763 8.434 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.111 8.580 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.581 9.304 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.855 8.303 -3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.005 10.334 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.752 9.975 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.620 11.148 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.972 11.996 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.132 13.063 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.580 12.440 -2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.240 11.619 -1.287 1.00 0.00 H new ATOM 963 N SER A 55 6.055 5.424 -1.699 1.00 0.00 N ATOM 964 CA SER A 55 5.073 4.762 -2.589 1.00 0.00 C ATOM 965 C SER A 55 3.686 5.358 -2.421 1.00 0.00 C ATOM 966 O SER A 55 3.439 6.169 -1.554 1.00 0.00 O ATOM 967 CB SER A 55 5.054 3.301 -2.162 1.00 0.00 C ATOM 968 OG SER A 55 5.019 2.502 -3.328 1.00 0.00 O ATOM 0 H SER A 55 5.861 5.346 -0.701 1.00 0.00 H new ATOM 0 HA SER A 55 5.350 4.889 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.937 3.067 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.185 3.099 -1.536 1.00 0.00 H new ATOM 0 HG SER A 55 4.296 2.809 -3.914 1.00 0.00 H new ATOM 974 N THR A 56 2.782 4.941 -3.251 1.00 0.00 N ATOM 975 CA THR A 56 1.392 5.447 -3.167 1.00 0.00 C ATOM 976 C THR A 56 0.435 4.380 -3.683 1.00 0.00 C ATOM 977 O THR A 56 0.665 3.766 -4.709 1.00 0.00 O ATOM 978 CB THR A 56 1.373 6.692 -4.053 1.00 0.00 C ATOM 979 OG1 THR A 56 2.195 6.476 -5.186 1.00 0.00 O ATOM 980 CG2 THR A 56 1.913 7.878 -3.265 1.00 0.00 C ATOM 0 H THR A 56 2.948 4.262 -3.994 1.00 0.00 H new ATOM 0 HA THR A 56 1.082 5.684 -2.149 1.00 0.00 H new ATOM 0 HB THR A 56 0.351 6.895 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.182 7.273 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.901 8.768 -3.894 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.290 8.046 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.935 7.670 -2.950 1.00 0.00 H new ATOM 988 N PHE A 57 -0.623 4.134 -2.970 1.00 0.00 N ATOM 989 CA PHE A 57 -1.578 3.089 -3.411 1.00 0.00 C ATOM 990 C PHE A 57 -2.980 3.667 -3.566 1.00 0.00 C ATOM 991 O PHE A 57 -3.534 4.225 -2.647 1.00 0.00 O ATOM 992 CB PHE A 57 -1.539 2.044 -2.295 1.00 0.00 C ATOM 993 CG PHE A 57 -2.593 0.989 -2.534 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.779 0.468 -3.817 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.374 0.528 -1.469 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.745 -0.518 -4.039 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.343 -0.456 -1.689 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.528 -0.981 -2.974 1.00 0.00 C ATOM 0 H PHE A 57 -0.867 4.611 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.316 2.669 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.553 1.581 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.706 2.524 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.176 0.827 -4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.229 0.932 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.887 -0.922 -5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.948 -0.811 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.274 -1.743 -3.144 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.564 3.522 -4.717 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.937 4.054 -4.919 1.00 0.00 C ATOM 1010 C GLU A 58 -5.850 2.947 -5.465 1.00 0.00 C ATOM 1011 O GLU A 58 -5.470 2.200 -6.343 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.782 5.196 -5.934 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.497 4.634 -7.332 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.800 4.587 -8.134 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.854 4.583 -7.516 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.723 4.555 -9.351 1.00 0.00 O ATOM 0 H GLU A 58 -3.152 3.059 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.390 4.407 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.691 5.798 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.970 5.855 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.764 5.257 -7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.068 3.635 -7.254 1.00 0.00 H new ATOM 1023 N ILE A 59 -7.047 2.842 -4.966 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.969 1.788 -5.483 1.00 0.00 C ATOM 1025 C ILE A 59 -9.177 2.453 -6.133 1.00 0.00 C ATOM 1026 O ILE A 59 -9.817 3.308 -5.556 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.409 0.958 -4.275 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.203 0.644 -3.375 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.029 -0.352 -4.764 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.640 -0.240 -2.201 1.00 0.00 C ATOM 0 H ILE A 59 -7.428 3.434 -4.228 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.483 1.158 -6.228 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.140 1.527 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.429 0.139 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.767 1.570 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.344 -0.947 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.893 -0.134 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.292 -0.910 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.779 -0.457 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.398 0.281 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.054 -1.173 -2.583 1.00 0.00 H new ATOM 1042 N SER A 60 -9.485 2.078 -7.334 1.00 0.00 N ATOM 1043 CA SER A 60 -10.649 2.701 -8.032 1.00 0.00 C ATOM 1044 C SER A 60 -11.275 1.736 -9.046 1.00 0.00 C ATOM 1045 O SER A 60 -12.057 2.133 -9.886 1.00 0.00 O ATOM 1046 CB SER A 60 -10.065 3.919 -8.741 1.00 0.00 C ATOM 1047 OG SER A 60 -9.852 4.953 -7.789 1.00 0.00 O ATOM 0 H SER A 60 -8.986 1.368 -7.869 1.00 0.00 H new ATOM 0 HA SER A 60 -11.446 2.963 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.126 3.656 -9.228 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.744 4.261 -9.522 1.00 0.00 H new ATOM 0 HG SER A 60 -8.903 4.985 -7.547 1.00 0.00 H new ATOM 1053 N SER A 61 -10.933 0.480 -8.990 1.00 0.00 N ATOM 1054 CA SER A 61 -11.506 -0.493 -9.966 1.00 0.00 C ATOM 1055 C SER A 61 -12.096 -1.716 -9.247 1.00 0.00 C ATOM 1056 O SER A 61 -12.706 -2.567 -9.863 1.00 0.00 O ATOM 1057 CB SER A 61 -10.315 -0.891 -10.831 1.00 0.00 C ATOM 1058 OG SER A 61 -10.411 -2.264 -11.194 1.00 0.00 O ATOM 0 H SER A 61 -10.282 0.083 -8.312 1.00 0.00 H new ATOM 0 HA SER A 61 -12.325 -0.068 -10.547 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.283 -0.271 -11.727 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.386 -0.714 -10.288 1.00 0.00 H new ATOM 0 HG SER A 61 -11.341 -2.560 -11.109 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.912 -1.812 -7.955 1.00 0.00 N ATOM 1065 CA VAL A 62 -12.452 -2.983 -7.193 1.00 0.00 C ATOM 1066 C VAL A 62 -13.893 -3.306 -7.618 1.00 0.00 C ATOM 1067 O VAL A 62 -14.716 -2.426 -7.775 1.00 0.00 O ATOM 1068 CB VAL A 62 -12.387 -2.551 -5.720 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.529 -1.584 -5.388 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -12.494 -3.788 -4.823 1.00 0.00 C ATOM 0 H VAL A 62 -11.409 -1.127 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.881 -3.893 -7.378 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.438 -2.044 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.464 -1.291 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.451 -0.698 -6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.485 -2.075 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.448 -3.484 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.441 -4.294 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.670 -4.467 -5.040 1.00 0.00 H new ATOM 1130 N GLU A 67 -11.843 -6.539 0.611 1.00 0.00 N ATOM 1131 CA GLU A 67 -11.672 -6.480 2.088 1.00 0.00 C ATOM 1132 C GLU A 67 -11.663 -5.041 2.571 1.00 0.00 C ATOM 1133 O GLU A 67 -11.630 -4.103 1.803 1.00 0.00 O ATOM 1134 CB GLU A 67 -10.330 -7.132 2.412 1.00 0.00 C ATOM 1135 CG GLU A 67 -10.588 -8.288 3.357 1.00 0.00 C ATOM 1136 CD GLU A 67 -9.273 -8.996 3.689 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -8.337 -8.857 2.918 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -9.223 -9.664 4.708 1.00 0.00 O ATOM 0 HA GLU A 67 -12.496 -6.995 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.848 -7.485 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.655 -6.409 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.055 -7.923 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.285 -8.992 2.902 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.680 -4.882 3.857 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.663 -3.530 4.460 1.00 0.00 C ATOM 1147 C GLY A 68 -10.260 -3.230 4.960 1.00 0.00 C ATOM 1148 O GLY A 68 -9.820 -2.117 4.924 1.00 0.00 O ATOM 0 H GLY A 68 -11.705 -5.648 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.968 -2.786 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.376 -3.476 5.283 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.562 -4.219 5.435 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.182 -3.992 5.947 1.00 0.00 C ATOM 1154 C ASN A 69 -7.115 -4.402 4.916 1.00 0.00 C ATOM 1155 O ASN A 69 -7.133 -5.492 4.379 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.080 -4.875 7.180 1.00 0.00 C ATOM 1157 CG ASN A 69 -8.681 -4.154 8.385 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -9.681 -3.474 8.266 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -8.108 -4.273 9.551 1.00 0.00 N ATOM 0 H ASN A 69 -9.889 -5.183 5.492 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.007 -2.938 6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.604 -5.815 7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.037 -5.122 7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.499 -3.795 10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.269 -4.844 9.651 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.174 -3.533 4.672 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.061 -3.821 3.723 1.00 0.00 C ATOM 1168 C TYR A 70 -3.776 -3.235 4.330 1.00 0.00 C ATOM 1169 O TYR A 70 -3.849 -2.421 5.231 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.436 -3.094 2.431 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.228 -4.015 1.534 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.651 -5.193 1.044 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.540 -3.682 1.182 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.390 -6.037 0.202 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.280 -4.523 0.340 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.705 -5.702 -0.151 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.430 -6.535 -0.984 1.00 0.00 O ATOM 0 H TYR A 70 -6.129 -2.610 5.103 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.903 -4.883 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.022 -2.204 2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.535 -2.758 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.638 -5.452 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.984 -2.773 1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.945 -6.946 -0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.293 -4.262 0.070 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.323 -6.157 -1.128 1.00 0.00 H new ATOM 1187 N SER A 71 -2.602 -3.616 3.883 1.00 0.00 N ATOM 1188 CA SER A 71 -1.378 -3.018 4.511 1.00 0.00 C ATOM 1189 C SER A 71 -0.227 -2.885 3.516 1.00 0.00 C ATOM 1190 O SER A 71 -0.380 -3.102 2.331 1.00 0.00 O ATOM 1191 CB SER A 71 -0.969 -3.943 5.657 1.00 0.00 C ATOM 1192 OG SER A 71 -1.911 -4.996 5.805 1.00 0.00 O ATOM 0 H SER A 71 -2.439 -4.292 3.136 1.00 0.00 H new ATOM 0 HA SER A 71 -1.603 -2.011 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.021 -4.357 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.901 -3.375 6.585 1.00 0.00 H new ATOM 0 HG SER A 71 -1.498 -5.844 5.538 1.00 0.00 H new ATOM 1198 N VAL A 72 0.930 -2.513 4.004 1.00 0.00 N ATOM 1199 CA VAL A 72 2.111 -2.343 3.099 1.00 0.00 C ATOM 1200 C VAL A 72 3.420 -2.645 3.834 1.00 0.00 C ATOM 1201 O VAL A 72 3.904 -1.851 4.612 1.00 0.00 O ATOM 1202 CB VAL A 72 2.077 -0.870 2.682 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.057 0.004 3.933 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.320 -0.522 1.855 1.00 0.00 C ATOM 0 H VAL A 72 1.109 -2.319 4.989 1.00 0.00 H new ATOM 0 HA VAL A 72 2.065 -3.024 2.249 1.00 0.00 H new ATOM 0 HB VAL A 72 1.185 -0.693 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.033 1.054 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.172 -0.229 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.952 -0.188 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.282 0.528 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.215 -0.702 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.348 -1.144 0.960 1.00 0.00 H new ATOM 1214 N VAL A 73 4.015 -3.770 3.565 1.00 0.00 N ATOM 1215 CA VAL A 73 5.304 -4.100 4.221 1.00 0.00 C ATOM 1216 C VAL A 73 6.456 -3.565 3.368 1.00 0.00 C ATOM 1217 O VAL A 73 6.838 -4.141 2.369 1.00 0.00 O ATOM 1218 CB VAL A 73 5.358 -5.634 4.351 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.216 -6.108 5.252 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.232 -6.319 2.987 1.00 0.00 C ATOM 0 H VAL A 73 3.663 -4.476 2.918 1.00 0.00 H new ATOM 0 HA VAL A 73 5.391 -3.644 5.207 1.00 0.00 H new ATOM 0 HB VAL A 73 6.323 -5.901 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.253 -7.193 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.319 -5.655 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.262 -5.813 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.274 -7.400 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.281 -6.046 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.051 -5.999 2.342 1.00 0.00 H new ATOM 1230 N VAL A 74 6.999 -2.448 3.757 1.00 0.00 N ATOM 1231 CA VAL A 74 8.116 -1.843 2.985 1.00 0.00 C ATOM 1232 C VAL A 74 9.447 -2.422 3.500 1.00 0.00 C ATOM 1233 O VAL A 74 9.763 -2.336 4.670 1.00 0.00 O ATOM 1234 CB VAL A 74 7.953 -0.327 3.250 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.279 0.342 3.647 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.417 0.341 1.982 1.00 0.00 C ATOM 0 H VAL A 74 6.714 -1.924 4.584 1.00 0.00 H new ATOM 0 HA VAL A 74 8.108 -2.048 1.915 1.00 0.00 H new ATOM 0 HB VAL A 74 7.260 -0.206 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.112 1.405 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.662 -0.120 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.005 0.216 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.298 1.410 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.119 0.183 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.452 -0.094 1.722 1.00 0.00 H new ATOM 1246 N GLU A 75 10.212 -3.031 2.632 1.00 0.00 N ATOM 1247 CA GLU A 75 11.504 -3.641 3.067 1.00 0.00 C ATOM 1248 C GLU A 75 12.646 -3.172 2.157 1.00 0.00 C ATOM 1249 O GLU A 75 12.427 -2.538 1.149 1.00 0.00 O ATOM 1250 CB GLU A 75 11.262 -5.153 2.923 1.00 0.00 C ATOM 1251 CG GLU A 75 12.585 -5.926 2.985 1.00 0.00 C ATOM 1252 CD GLU A 75 12.300 -7.428 2.927 1.00 0.00 C ATOM 1253 OE1 GLU A 75 11.827 -7.959 3.917 1.00 0.00 O ATOM 1254 OE2 GLU A 75 12.559 -8.020 1.892 1.00 0.00 O ATOM 0 H GLU A 75 9.998 -3.132 1.640 1.00 0.00 H new ATOM 0 HA GLU A 75 11.792 -3.362 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.598 -5.496 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.761 -5.357 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.228 -5.635 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.119 -5.681 3.903 1.00 0.00 H new ATOM 1261 N ASN A 76 13.864 -3.485 2.509 1.00 0.00 N ATOM 1262 CA ASN A 76 15.017 -3.066 1.657 1.00 0.00 C ATOM 1263 C ASN A 76 16.234 -3.950 1.933 1.00 0.00 C ATOM 1264 O ASN A 76 16.133 -5.010 2.519 1.00 0.00 O ATOM 1265 CB ASN A 76 15.245 -1.570 1.989 1.00 0.00 C ATOM 1266 CG ASN A 76 16.532 -1.286 2.781 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.690 -1.742 3.890 1.00 0.00 O ATOM 1268 ND2 ASN A 76 17.451 -0.524 2.254 1.00 0.00 N ATOM 0 H ASN A 76 14.111 -4.011 3.347 1.00 0.00 H new ATOM 0 HA ASN A 76 14.828 -3.184 0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.273 -1.004 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.392 -1.203 2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.301 -0.314 2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.319 -0.139 1.319 1.00 0.00 H new ATOM 1275 N SER A 77 17.373 -3.512 1.492 1.00 0.00 N ATOM 1276 CA SER A 77 18.637 -4.294 1.678 1.00 0.00 C ATOM 1277 C SER A 77 18.730 -4.961 3.056 1.00 0.00 C ATOM 1278 O SER A 77 19.426 -5.943 3.219 1.00 0.00 O ATOM 1279 CB SER A 77 19.758 -3.274 1.508 1.00 0.00 C ATOM 1280 OG SER A 77 19.426 -2.093 2.225 1.00 0.00 O ATOM 0 H SER A 77 17.492 -2.627 0.999 1.00 0.00 H new ATOM 0 HA SER A 77 18.689 -5.113 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.699 -3.685 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.901 -3.045 0.452 1.00 0.00 H new ATOM 0 HG SER A 77 20.237 -1.565 2.379 1.00 0.00 H new ATOM 1286 N GLU A 78 18.058 -4.447 4.047 1.00 0.00 N ATOM 1287 CA GLU A 78 18.159 -5.095 5.398 1.00 0.00 C ATOM 1288 C GLU A 78 17.098 -4.590 6.393 1.00 0.00 C ATOM 1289 O GLU A 78 17.130 -4.942 7.556 1.00 0.00 O ATOM 1290 CB GLU A 78 19.556 -4.729 5.894 1.00 0.00 C ATOM 1291 CG GLU A 78 19.703 -3.206 5.907 1.00 0.00 C ATOM 1292 CD GLU A 78 20.543 -2.741 4.712 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.110 -3.585 4.039 1.00 0.00 O ATOM 1294 OE2 GLU A 78 20.599 -1.543 4.490 1.00 0.00 O ATOM 0 H GLU A 78 17.455 -3.626 3.991 1.00 0.00 H new ATOM 0 HA GLU A 78 17.989 -6.169 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.716 -5.130 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.312 -5.174 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.719 -2.739 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.174 -2.887 6.837 1.00 0.00 H new ATOM 1301 N GLY A 79 16.156 -3.790 5.971 1.00 0.00 N ATOM 1302 CA GLY A 79 15.118 -3.309 6.927 1.00 0.00 C ATOM 1303 C GLY A 79 13.775 -3.906 6.523 1.00 0.00 C ATOM 1304 O GLY A 79 13.548 -4.193 5.371 1.00 0.00 O ATOM 0 H GLY A 79 16.060 -3.451 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.374 -3.605 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.068 -2.220 6.915 1.00 0.00 H new ATOM 1308 N LYS A 80 12.883 -4.107 7.448 1.00 0.00 N ATOM 1309 CA LYS A 80 11.565 -4.701 7.066 1.00 0.00 C ATOM 1310 C LYS A 80 10.434 -4.107 7.914 1.00 0.00 C ATOM 1311 O LYS A 80 9.928 -4.738 8.821 1.00 0.00 O ATOM 1312 CB LYS A 80 11.662 -6.229 7.300 1.00 0.00 C ATOM 1313 CG LYS A 80 12.863 -6.606 8.186 1.00 0.00 C ATOM 1314 CD LYS A 80 12.704 -5.974 9.571 1.00 0.00 C ATOM 1315 CE LYS A 80 12.336 -7.057 10.588 1.00 0.00 C ATOM 1316 NZ LYS A 80 11.013 -7.571 10.137 1.00 0.00 N ATOM 0 H LYS A 80 13.001 -3.892 8.438 1.00 0.00 H new ATOM 0 HA LYS A 80 11.340 -4.481 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.743 -6.582 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.747 -6.737 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.934 -7.690 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.789 -6.264 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.631 -5.483 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.930 -5.206 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.083 -7.851 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.278 -6.649 11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.561 -8.095 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.407 -6.773 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.146 -8.205 9.323 1.00 0.00 H new ATOM 1330 N GLN A 81 10.022 -2.905 7.612 1.00 0.00 N ATOM 1331 CA GLN A 81 8.912 -2.273 8.386 1.00 0.00 C ATOM 1332 C GLN A 81 7.650 -2.232 7.518 1.00 0.00 C ATOM 1333 O GLN A 81 7.685 -2.584 6.357 1.00 0.00 O ATOM 1334 CB GLN A 81 9.402 -0.859 8.701 1.00 0.00 C ATOM 1335 CG GLN A 81 8.394 -0.157 9.612 1.00 0.00 C ATOM 1336 CD GLN A 81 9.055 1.050 10.275 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.202 0.990 10.672 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.373 2.151 10.408 1.00 0.00 N ATOM 0 H GLN A 81 10.407 -2.332 6.861 1.00 0.00 H new ATOM 0 HA GLN A 81 8.664 -2.820 9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.377 -0.901 9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.529 -0.293 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.527 0.163 9.034 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.032 -0.849 10.372 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.410 2.198 10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.801 2.966 10.846 1.00 0.00 H new ATOM 1347 N GLU A 82 6.536 -1.820 8.062 1.00 0.00 N ATOM 1348 CA GLU A 82 5.288 -1.779 7.244 1.00 0.00 C ATOM 1349 C GLU A 82 4.348 -0.672 7.727 1.00 0.00 C ATOM 1350 O GLU A 82 4.661 0.092 8.619 1.00 0.00 O ATOM 1351 CB GLU A 82 4.647 -3.158 7.441 1.00 0.00 C ATOM 1352 CG GLU A 82 4.143 -3.305 8.883 1.00 0.00 C ATOM 1353 CD GLU A 82 2.666 -2.905 8.959 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.049 -2.776 7.913 1.00 0.00 O ATOM 1355 OE2 GLU A 82 2.176 -2.734 10.063 1.00 0.00 O ATOM 0 H GLU A 82 6.436 -1.512 9.029 1.00 0.00 H new ATOM 0 HA GLU A 82 5.495 -1.564 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.819 -3.286 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.373 -3.940 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.268 -4.334 9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.734 -2.678 9.550 1.00 0.00 H new ATOM 1362 N ALA A 83 3.191 -0.603 7.139 1.00 0.00 N ATOM 1363 CA ALA A 83 2.190 0.422 7.533 1.00 0.00 C ATOM 1364 C ALA A 83 0.805 -0.202 7.418 1.00 0.00 C ATOM 1365 O ALA A 83 0.329 -0.477 6.333 1.00 0.00 O ATOM 1366 CB ALA A 83 2.361 1.560 6.524 1.00 0.00 C ATOM 0 H ALA A 83 2.891 -1.225 6.388 1.00 0.00 H new ATOM 0 HA ALA A 83 2.316 0.785 8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.653 2.357 6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.377 1.950 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.175 1.185 5.518 1.00 0.00 H new ATOM 1372 N GLU A 84 0.166 -0.470 8.519 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.168 -1.120 8.445 1.00 0.00 C ATOM 1374 C GLU A 84 -2.291 -0.086 8.348 1.00 0.00 C ATOM 1375 O GLU A 84 -2.291 0.932 9.011 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.293 -1.929 9.737 1.00 0.00 C ATOM 1377 CG GLU A 84 -0.943 -3.393 9.462 1.00 0.00 C ATOM 1378 CD GLU A 84 -2.043 -4.034 8.613 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -2.740 -3.302 7.930 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -2.167 -5.248 8.656 1.00 0.00 O ATOM 0 H GLU A 84 0.506 -0.269 9.460 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.256 -1.745 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.627 -1.522 10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.308 -1.854 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.014 -3.457 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.834 -3.934 10.402 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.253 -0.368 7.521 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.414 0.544 7.340 1.00 0.00 C ATOM 1389 C PHE A 85 -5.579 -0.292 6.817 1.00 0.00 C ATOM 1390 O PHE A 85 -5.488 -1.501 6.767 1.00 0.00 O ATOM 1391 CB PHE A 85 -3.966 1.564 6.290 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.528 0.837 5.042 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.487 0.320 4.165 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.166 0.678 4.763 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.085 -0.357 3.009 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -1.764 -0.001 3.606 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.724 -0.517 2.730 1.00 0.00 C ATOM 0 H PHE A 85 -3.285 -1.212 6.949 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.727 1.044 8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.783 2.247 6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.146 2.168 6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.538 0.444 4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.425 1.079 5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.826 -0.756 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.713 -0.126 3.390 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.414 -1.040 1.837 1.00 0.00 H new ATOM 1407 N THR A 86 -6.667 0.311 6.425 1.00 0.00 N ATOM 1408 CA THR A 86 -7.793 -0.508 5.909 1.00 0.00 C ATOM 1409 C THR A 86 -8.523 0.198 4.763 1.00 0.00 C ATOM 1410 O THR A 86 -8.981 1.317 4.883 1.00 0.00 O ATOM 1411 CB THR A 86 -8.709 -0.748 7.111 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.288 0.482 7.523 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.896 -1.346 8.260 1.00 0.00 C ATOM 0 H THR A 86 -6.822 1.319 6.440 1.00 0.00 H new ATOM 0 HA THR A 86 -7.444 -1.450 5.486 1.00 0.00 H new ATOM 0 HB THR A 86 -9.502 -1.441 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.282 1.114 6.774 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.548 -1.517 9.117 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.458 -2.292 7.942 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.101 -0.655 8.541 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.637 -0.483 3.653 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.339 0.070 2.468 1.00 0.00 C ATOM 1423 C LEU A 87 -10.549 -0.807 2.178 1.00 0.00 C ATOM 1424 O LEU A 87 -10.413 -1.931 1.733 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.322 -0.052 1.328 1.00 0.00 C ATOM 1426 CG LEU A 87 -7.483 1.230 1.123 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -7.555 2.191 2.320 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.024 0.824 0.904 1.00 0.00 C ATOM 0 H LEU A 87 -8.262 -1.422 3.520 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.680 1.096 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.653 -0.888 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.849 -0.286 0.403 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.891 1.757 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.946 3.072 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.589 2.494 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.181 1.689 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.416 1.717 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.663 0.279 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.952 0.187 0.022 1.00 0.00 H new ATOM 1440 N THR A 88 -11.726 -0.329 2.446 1.00 0.00 N ATOM 1441 CA THR A 88 -12.920 -1.185 2.198 1.00 0.00 C ATOM 1442 C THR A 88 -13.694 -0.743 0.967 1.00 0.00 C ATOM 1443 O THR A 88 -13.437 0.286 0.372 1.00 0.00 O ATOM 1444 CB THR A 88 -13.786 -1.102 3.458 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.001 -0.656 4.558 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.348 -2.496 3.763 1.00 0.00 C ATOM 0 H THR A 88 -11.916 0.601 2.820 1.00 0.00 H new ATOM 0 HA THR A 88 -12.615 -2.212 1.998 1.00 0.00 H new ATOM 0 HB THR A 88 -14.601 -0.397 3.296 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.562 -0.604 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.967 -2.451 4.659 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.951 -2.837 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.525 -3.192 3.925 1.00 0.00 H new ATOM 1454 N ILE A 89 -14.619 -1.563 0.567 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.420 -1.282 -0.647 1.00 0.00 C ATOM 1456 C ILE A 89 -16.888 -1.600 -0.382 1.00 0.00 C ATOM 1457 O ILE A 89 -17.619 -2.012 -1.256 1.00 0.00 O ATOM 1458 CB ILE A 89 -14.851 -2.210 -1.727 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -14.609 -3.630 -1.144 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.546 -1.611 -2.260 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -13.271 -3.703 -0.393 1.00 0.00 C ATOM 0 H ILE A 89 -14.857 -2.434 1.041 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.367 -0.236 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.564 -2.302 -2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.423 -3.892 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.616 -4.363 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.133 -2.264 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.745 -0.628 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.830 -1.514 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.131 -4.709 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.456 -3.465 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.275 -2.987 0.429 1.00 0.00 H new