USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 802 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 102 TYR OH : rot 90:sc= -1.6 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -125:sc=-0.00579 (180deg=-0.187) USER MOD Set 2.1: A 51 MET CE :methyl -166:sc= -2.24 (180deg=-0.629) USER MOD Set 2.2: A 59 LYS NZ :NH3+ -124:sc= 0.313 (180deg=-0.0039) USER MOD Single : A 10 LYS NZ :NH3+ -139:sc= -0.528 (180deg=-2.56!) USER MOD Single : A 15 CYS SG : rot -112:sc= -1.58 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -163:sc=-0.000758 (180deg=-0.534) USER MOD Single : A 20 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 22 MET CE :methyl 138:sc= -2.1 (180deg=-4.59!) USER MOD Single : A 24 THR OG1 : rot -20:sc= 1.18 USER MOD Single : A 25 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 36 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0366 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 62 SER OG : rot 90:sc= 0.979 USER MOD Single : A 64 GLN : amide:sc= -3.53! C(o=-3.5!,f=-6.7!) USER MOD Single : A 65 TYR OH : rot 13:sc= 0.0325 USER MOD Single : A 67 ASN : amide:sc= -3.95! C(o=-4!,f=-2!) USER MOD Single : A 70 THR OG1 : rot -80:sc= -0.614 USER MOD Single : A 81 ASN : amide:sc= -3.12 X(o=-3.1,f=-3.6!) USER MOD Single : A 82 CYS SG : rot -48:sc= 0.344 USER MOD Single : A 84 THR OG1 : rot 76:sc= 0.0315 USER MOD Single : A 86 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.021) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 98 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 99 MET CE :methyl -175:sc= -2.24 (180deg=-2.46) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 65:sc= 0.764 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.849 18.749 9.583 1.00 0.00 N ATOM 90 CA LYS A 10 -4.222 18.453 9.191 1.00 0.00 C ATOM 91 C LYS A 10 -4.255 17.573 7.946 1.00 0.00 C ATOM 92 O LYS A 10 -4.871 16.507 7.944 1.00 0.00 O ATOM 93 CB LYS A 10 -4.991 19.751 8.931 1.00 0.00 C ATOM 94 CG LYS A 10 -6.444 19.531 8.549 1.00 0.00 C ATOM 95 CD LYS A 10 -6.601 19.312 7.054 1.00 0.00 C ATOM 96 CE LYS A 10 -8.053 19.445 6.620 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.885 18.313 7.114 1.00 0.00 N ATOM 0 HA LYS A 10 -4.698 17.913 10.009 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.949 20.373 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.494 20.304 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.836 18.668 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.036 20.393 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.991 20.036 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.230 18.322 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.459 20.385 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.105 19.486 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.544 18.014 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.269 17.516 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.424 18.617 7.950 1.00 0.00 H new ATOM 111 N ASP A 11 -3.587 18.024 6.890 1.00 0.00 N ATOM 112 CA ASP A 11 -3.538 17.276 5.639 1.00 0.00 C ATOM 113 C ASP A 11 -3.097 15.836 5.884 1.00 0.00 C ATOM 114 O ASP A 11 -3.777 14.890 5.486 1.00 0.00 O ATOM 115 CB ASP A 11 -2.586 17.953 4.652 1.00 0.00 C ATOM 116 CG ASP A 11 -2.873 19.433 4.494 1.00 0.00 C ATOM 117 OD1 ASP A 11 -3.885 19.776 3.848 1.00 0.00 O ATOM 118 OD2 ASP A 11 -2.085 20.250 5.016 1.00 0.00 O ATOM 0 H ASP A 11 -3.072 18.904 6.875 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.541 17.262 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.559 17.819 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.666 17.465 3.681 1.00 0.00 H new ATOM 123 N LEU A 12 -1.953 15.678 6.541 1.00 0.00 N ATOM 124 CA LEU A 12 -1.419 14.353 6.839 1.00 0.00 C ATOM 125 C LEU A 12 -2.414 13.537 7.658 1.00 0.00 C ATOM 126 O LEU A 12 -2.738 12.402 7.308 1.00 0.00 O ATOM 127 CB LEU A 12 -0.095 14.473 7.596 1.00 0.00 C ATOM 128 CG LEU A 12 1.156 14.653 6.736 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.357 14.990 7.605 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.424 13.400 5.915 1.00 0.00 C ATOM 0 H LEU A 12 -1.378 16.450 6.877 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.245 13.838 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.166 15.319 8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.034 13.579 8.206 1.00 0.00 H new ATOM 0 HG LEU A 12 0.986 15.483 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.238 15.114 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.165 15.916 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.530 14.182 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.318 13.546 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.573 12.552 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.573 13.203 5.264 1.00 0.00 H new ATOM 142 N ALA A 13 -2.896 14.123 8.749 1.00 0.00 N ATOM 143 CA ALA A 13 -3.858 13.452 9.615 1.00 0.00 C ATOM 144 C ALA A 13 -4.852 12.632 8.800 1.00 0.00 C ATOM 145 O ALA A 13 -5.138 11.479 9.127 1.00 0.00 O ATOM 146 CB ALA A 13 -4.590 14.468 10.478 1.00 0.00 C ATOM 0 H ALA A 13 -2.636 15.061 9.054 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.310 12.769 10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.305 13.953 11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.871 15.006 11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.120 15.174 9.839 1.00 0.00 H new ATOM 152 N LEU A 14 -5.378 13.234 7.739 1.00 0.00 N ATOM 153 CA LEU A 14 -6.343 12.559 6.877 1.00 0.00 C ATOM 154 C LEU A 14 -5.738 11.300 6.265 1.00 0.00 C ATOM 155 O LEU A 14 -6.376 10.247 6.230 1.00 0.00 O ATOM 156 CB LEU A 14 -6.813 13.503 5.769 1.00 0.00 C ATOM 157 CG LEU A 14 -7.620 14.721 6.222 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.768 15.717 5.082 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.985 14.293 6.740 1.00 0.00 C ATOM 0 H LEU A 14 -5.153 14.187 7.455 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.199 12.269 7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.937 13.855 5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.419 12.932 5.065 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.082 15.208 7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.345 16.577 5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.781 16.048 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.284 15.241 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.546 15.172 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.531 13.782 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.858 13.618 7.586 1.00 0.00 H new ATOM 171 N CYS A 15 -4.505 11.415 5.785 1.00 0.00 N ATOM 172 CA CYS A 15 -3.813 10.284 5.175 1.00 0.00 C ATOM 173 C CYS A 15 -3.908 9.046 6.062 1.00 0.00 C ATOM 174 O CYS A 15 -4.196 7.949 5.584 1.00 0.00 O ATOM 175 CB CYS A 15 -2.346 10.634 4.922 1.00 0.00 C ATOM 176 SG CYS A 15 -2.103 12.039 3.811 1.00 0.00 S ATOM 0 H CYS A 15 -3.964 12.279 5.806 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.296 10.064 4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.866 10.852 5.876 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.843 9.762 4.504 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.579 11.625 2.696 1.00 0.00 H new ATOM 182 N SER A 16 -3.662 9.231 7.355 1.00 0.00 N ATOM 183 CA SER A 16 -3.714 8.128 8.307 1.00 0.00 C ATOM 184 C SER A 16 -5.052 7.399 8.222 1.00 0.00 C ATOM 185 O SER A 16 -5.110 6.173 8.312 1.00 0.00 O ATOM 186 CB SER A 16 -3.492 8.645 9.730 1.00 0.00 C ATOM 187 OG SER A 16 -3.713 7.621 10.685 1.00 0.00 O ATOM 0 H SER A 16 -3.425 10.133 7.767 1.00 0.00 H new ATOM 0 HA SER A 16 -2.920 7.425 8.055 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.475 9.025 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.164 9.480 9.926 1.00 0.00 H new ATOM 0 HG SER A 16 -3.563 7.976 11.586 1.00 0.00 H new ATOM 193 N MET A 17 -6.125 8.163 8.047 1.00 0.00 N ATOM 194 CA MET A 17 -7.463 7.591 7.948 1.00 0.00 C ATOM 195 C MET A 17 -7.565 6.652 6.750 1.00 0.00 C ATOM 196 O MET A 17 -7.740 5.444 6.909 1.00 0.00 O ATOM 197 CB MET A 17 -8.509 8.701 7.831 1.00 0.00 C ATOM 198 CG MET A 17 -8.310 9.830 8.829 1.00 0.00 C ATOM 199 SD MET A 17 -9.830 10.743 9.157 1.00 0.00 S ATOM 200 CE MET A 17 -10.414 11.038 7.490 1.00 0.00 C ATOM 0 H MET A 17 -6.094 9.180 7.971 1.00 0.00 H new ATOM 0 HA MET A 17 -7.653 7.017 8.855 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.481 9.110 6.821 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.501 8.271 7.974 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.928 9.420 9.764 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.553 10.516 8.449 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.161 11.832 7.501 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.577 11.336 6.859 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.860 10.126 7.094 1.00 0.00 H new ATOM 210 N ILE A 18 -7.455 7.216 5.551 1.00 0.00 N ATOM 211 CA ILE A 18 -7.534 6.428 4.327 1.00 0.00 C ATOM 212 C ILE A 18 -6.663 5.180 4.419 1.00 0.00 C ATOM 213 O ILE A 18 -7.097 4.080 4.075 1.00 0.00 O ATOM 214 CB ILE A 18 -7.103 7.252 3.099 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.988 8.491 2.954 1.00 0.00 C ATOM 216 CG2 ILE A 18 -7.166 6.399 1.841 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.291 9.657 2.287 1.00 0.00 C ATOM 0 H ILE A 18 -7.311 8.215 5.402 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.576 6.132 4.209 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.073 7.579 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.874 8.229 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.331 8.800 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.859 6.995 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.498 5.544 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.186 6.046 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.978 10.500 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.420 9.946 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.972 9.366 1.286 1.00 0.00 H new ATOM 229 N LEU A 19 -5.432 5.357 4.888 1.00 0.00 N ATOM 230 CA LEU A 19 -4.499 4.245 5.027 1.00 0.00 C ATOM 231 C LEU A 19 -5.068 3.170 5.948 1.00 0.00 C ATOM 232 O LEU A 19 -4.883 1.975 5.713 1.00 0.00 O ATOM 233 CB LEU A 19 -3.159 4.743 5.572 1.00 0.00 C ATOM 234 CG LEU A 19 -2.086 3.676 5.792 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.561 3.165 4.460 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.949 4.230 6.639 1.00 0.00 C ATOM 0 H LEU A 19 -5.057 6.260 5.178 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.343 3.808 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.764 5.490 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.340 5.248 6.521 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.536 2.840 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.798 2.406 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.381 2.729 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.127 3.992 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.194 3.457 6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.500 5.084 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.337 4.546 7.607 1.00 0.00 H new ATOM 248 N THR A 20 -5.762 3.602 6.996 1.00 0.00 N ATOM 249 CA THR A 20 -6.359 2.677 7.951 1.00 0.00 C ATOM 250 C THR A 20 -7.231 1.644 7.246 1.00 0.00 C ATOM 251 O THR A 20 -7.005 0.441 7.369 1.00 0.00 O ATOM 252 CB THR A 20 -7.209 3.421 8.998 1.00 0.00 C ATOM 253 OG1 THR A 20 -6.404 4.381 9.691 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.816 2.446 9.995 1.00 0.00 C ATOM 0 H THR A 20 -5.925 4.587 7.205 1.00 0.00 H new ATOM 0 HA THR A 20 -5.536 2.170 8.455 1.00 0.00 H new ATOM 0 HB THR A 20 -8.018 3.934 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.258 5.161 9.116 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.412 2.995 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.452 1.735 9.468 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.019 1.908 10.509 1.00 0.00 H new ATOM 262 N GLU A 21 -8.226 2.123 6.506 1.00 0.00 N ATOM 263 CA GLU A 21 -9.131 1.239 5.781 1.00 0.00 C ATOM 264 C GLU A 21 -8.352 0.225 4.949 1.00 0.00 C ATOM 265 O GLU A 21 -8.464 -0.983 5.160 1.00 0.00 O ATOM 266 CB GLU A 21 -10.057 2.054 4.875 1.00 0.00 C ATOM 267 CG GLU A 21 -11.061 2.903 5.636 1.00 0.00 C ATOM 268 CD GLU A 21 -12.219 2.089 6.182 1.00 0.00 C ATOM 269 OE1 GLU A 21 -11.991 0.930 6.587 1.00 0.00 O ATOM 270 OE2 GLU A 21 -13.353 2.612 6.203 1.00 0.00 O ATOM 0 H GLU A 21 -8.426 3.117 6.393 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.732 0.698 6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.452 2.702 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.595 1.374 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.555 3.406 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.447 3.680 4.977 1.00 0.00 H new ATOM 277 N MET A 22 -7.562 0.725 4.004 1.00 0.00 N ATOM 278 CA MET A 22 -6.764 -0.138 3.141 1.00 0.00 C ATOM 279 C MET A 22 -5.964 -1.142 3.966 1.00 0.00 C ATOM 280 O MET A 22 -5.985 -2.340 3.690 1.00 0.00 O ATOM 281 CB MET A 22 -5.817 0.702 2.281 1.00 0.00 C ATOM 282 CG MET A 22 -6.520 1.798 1.496 1.00 0.00 C ATOM 283 SD MET A 22 -5.556 2.369 0.084 1.00 0.00 S ATOM 284 CE MET A 22 -4.075 2.957 0.901 1.00 0.00 C ATOM 0 H MET A 22 -7.458 1.722 3.817 1.00 0.00 H new ATOM 0 HA MET A 22 -7.443 -0.689 2.490 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.061 1.154 2.923 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.294 0.046 1.585 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.484 1.428 1.147 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.722 2.640 2.157 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.198 2.650 0.330 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.103 4.045 0.966 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.021 2.535 1.904 1.00 0.00 H new ATOM 294 N GLU A 23 -5.261 -0.643 4.978 1.00 0.00 N ATOM 295 CA GLU A 23 -4.454 -1.498 5.841 1.00 0.00 C ATOM 296 C GLU A 23 -5.287 -2.648 6.399 1.00 0.00 C ATOM 297 O GLU A 23 -4.747 -3.650 6.870 1.00 0.00 O ATOM 298 CB GLU A 23 -3.857 -0.682 6.989 1.00 0.00 C ATOM 299 CG GLU A 23 -2.486 -0.105 6.677 1.00 0.00 C ATOM 300 CD GLU A 23 -1.356 -1.014 7.119 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.622 -2.207 7.379 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.207 -0.534 7.206 1.00 0.00 O ATOM 0 H GLU A 23 -5.234 0.347 5.220 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.645 -1.916 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.537 0.133 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.783 -1.315 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.406 0.072 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.383 0.862 7.169 1.00 0.00 H new ATOM 309 N THR A 24 -6.607 -2.497 6.344 1.00 0.00 N ATOM 310 CA THR A 24 -7.515 -3.521 6.845 1.00 0.00 C ATOM 311 C THR A 24 -8.469 -3.991 5.754 1.00 0.00 C ATOM 312 O THR A 24 -9.642 -4.259 6.014 1.00 0.00 O ATOM 313 CB THR A 24 -8.336 -3.006 8.042 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.187 -1.931 7.627 1.00 0.00 O ATOM 315 CG2 THR A 24 -7.422 -2.532 9.162 1.00 0.00 C ATOM 0 H THR A 24 -7.071 -1.675 5.957 1.00 0.00 H new ATOM 0 HA THR A 24 -6.898 -4.359 7.170 1.00 0.00 H new ATOM 0 HB THR A 24 -8.946 -3.828 8.416 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.848 -1.549 6.791 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.025 -2.173 9.996 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.797 -3.360 9.496 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.789 -1.723 8.797 1.00 0.00 H new ATOM 323 N HIS A 25 -7.958 -4.091 4.530 1.00 0.00 N ATOM 324 CA HIS A 25 -8.766 -4.531 3.398 1.00 0.00 C ATOM 325 C HIS A 25 -8.514 -6.004 3.091 1.00 0.00 C ATOM 326 O HIS A 25 -7.382 -6.480 3.175 1.00 0.00 O ATOM 327 CB HIS A 25 -8.459 -3.682 2.165 1.00 0.00 C ATOM 328 CG HIS A 25 -9.632 -3.509 1.249 1.00 0.00 C ATOM 329 ND1 HIS A 25 -9.833 -4.288 0.129 1.00 0.00 N ATOM 330 CD2 HIS A 25 -10.669 -2.641 1.294 1.00 0.00 C ATOM 331 CE1 HIS A 25 -10.943 -3.905 -0.476 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.470 -2.908 0.211 1.00 0.00 N ATOM 0 H HIS A 25 -6.989 -3.873 4.297 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.816 -4.407 3.663 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.112 -2.700 2.487 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.641 -4.143 1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.836 -1.880 2.042 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.350 -4.334 -1.379 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.332 -2.416 -0.024 1.00 0.00 H new ATOM 340 N GLU A 26 -9.576 -6.721 2.738 1.00 0.00 N ATOM 341 CA GLU A 26 -9.469 -8.140 2.420 1.00 0.00 C ATOM 342 C GLU A 26 -8.527 -8.364 1.241 1.00 0.00 C ATOM 343 O GLU A 26 -8.099 -9.489 0.980 1.00 0.00 O ATOM 344 CB GLU A 26 -10.849 -8.720 2.102 1.00 0.00 C ATOM 345 CG GLU A 26 -11.402 -8.273 0.759 1.00 0.00 C ATOM 346 CD GLU A 26 -12.637 -9.051 0.350 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.698 -10.264 0.637 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.545 -8.444 -0.258 1.00 0.00 O ATOM 0 H GLU A 26 -10.520 -6.343 2.665 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.060 -8.651 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.789 -9.808 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.546 -8.429 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.644 -7.211 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.633 -8.391 -0.004 1.00 0.00 H new ATOM 355 N ASP A 27 -8.208 -7.286 0.533 1.00 0.00 N ATOM 356 CA ASP A 27 -7.316 -7.364 -0.618 1.00 0.00 C ATOM 357 C ASP A 27 -6.205 -6.323 -0.516 1.00 0.00 C ATOM 358 O ASP A 27 -5.782 -5.753 -1.521 1.00 0.00 O ATOM 359 CB ASP A 27 -8.103 -7.163 -1.914 1.00 0.00 C ATOM 360 CG ASP A 27 -8.702 -8.455 -2.434 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.021 -9.154 -3.214 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.851 -8.769 -2.059 1.00 0.00 O ATOM 0 H ASP A 27 -8.554 -6.348 0.736 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.861 -8.355 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.900 -6.439 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.445 -6.739 -2.673 1.00 0.00 H new ATOM 367 N ALA A 28 -5.739 -6.080 0.704 1.00 0.00 N ATOM 368 CA ALA A 28 -4.677 -5.109 0.937 1.00 0.00 C ATOM 369 C ALA A 28 -3.478 -5.759 1.618 1.00 0.00 C ATOM 370 O ALA A 28 -2.485 -5.095 1.915 1.00 0.00 O ATOM 371 CB ALA A 28 -5.197 -3.949 1.774 1.00 0.00 C ATOM 0 H ALA A 28 -6.080 -6.542 1.547 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.349 -4.727 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.394 -3.231 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.017 -3.460 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.553 -4.324 2.734 1.00 0.00 H new ATOM 377 N TRP A 29 -3.577 -7.061 1.864 1.00 0.00 N ATOM 378 CA TRP A 29 -2.500 -7.800 2.511 1.00 0.00 C ATOM 379 C TRP A 29 -1.337 -8.022 1.549 1.00 0.00 C ATOM 380 O TRP A 29 -0.174 -8.099 1.945 1.00 0.00 O ATOM 381 CB TRP A 29 -3.015 -9.145 3.027 1.00 0.00 C ATOM 382 CG TRP A 29 -3.380 -10.101 1.932 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.639 -10.451 1.536 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.476 -10.830 1.095 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.572 -11.355 0.503 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.257 -11.603 0.213 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.083 -10.905 1.003 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.690 -12.438 -0.746 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.522 -11.734 0.051 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.324 -12.491 -0.814 1.00 0.00 C ATOM 0 H TRP A 29 -4.392 -7.626 1.625 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.142 -7.208 3.354 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.252 -9.600 3.658 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.888 -8.974 3.657 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.553 -10.073 1.970 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.372 -11.773 0.029 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.457 -10.325 1.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.306 -13.023 -1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.553 -11.800 -0.028 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.855 -13.129 -1.549 1.00 0.00 H new ATOM 401 N PRO A 30 -1.655 -8.129 0.251 1.00 0.00 N ATOM 402 CA PRO A 30 -0.563 -8.342 -0.705 1.00 0.00 C ATOM 403 C PRO A 30 0.597 -7.378 -0.484 1.00 0.00 C ATOM 404 O PRO A 30 1.714 -7.618 -0.944 1.00 0.00 O ATOM 405 CB PRO A 30 -1.223 -8.083 -2.061 1.00 0.00 C ATOM 406 CG PRO A 30 -2.666 -8.383 -1.843 1.00 0.00 C ATOM 407 CD PRO A 30 -2.969 -8.065 -0.411 1.00 0.00 C ATOM 0 HA PRO A 30 -0.127 -9.337 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.077 -7.052 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.799 -8.721 -2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.289 -7.787 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.879 -9.430 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.421 -7.078 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.668 -8.782 0.018 1.00 0.00 H new ATOM 415 N PHE A 31 0.327 -6.286 0.223 1.00 0.00 N ATOM 416 CA PHE A 31 1.349 -5.284 0.504 1.00 0.00 C ATOM 417 C PHE A 31 1.639 -5.208 2.000 1.00 0.00 C ATOM 418 O PHE A 31 2.773 -4.961 2.413 1.00 0.00 O ATOM 419 CB PHE A 31 0.905 -3.913 -0.011 1.00 0.00 C ATOM 420 CG PHE A 31 0.002 -3.987 -1.209 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.366 -4.147 -1.053 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.520 -3.895 -2.491 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.199 -4.215 -2.154 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.309 -3.963 -3.595 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.670 -4.122 -3.426 1.00 0.00 C ATOM 0 H PHE A 31 -0.591 -6.072 0.612 1.00 0.00 H new ATOM 0 HA PHE A 31 2.263 -5.579 -0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.390 -3.382 0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.787 -3.326 -0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.786 -4.219 -0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.584 -3.769 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.263 -4.341 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.108 -3.892 -4.589 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.320 -4.174 -4.287 1.00 0.00 H new ATOM 435 N LEU A 32 0.606 -5.421 2.808 1.00 0.00 N ATOM 436 CA LEU A 32 0.748 -5.377 4.259 1.00 0.00 C ATOM 437 C LEU A 32 2.134 -5.851 4.685 1.00 0.00 C ATOM 438 O LEU A 32 2.720 -5.321 5.630 1.00 0.00 O ATOM 439 CB LEU A 32 -0.326 -6.240 4.923 1.00 0.00 C ATOM 440 CG LEU A 32 -1.707 -5.601 5.066 1.00 0.00 C ATOM 441 CD1 LEU A 32 -2.677 -6.568 5.727 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.616 -4.307 5.862 1.00 0.00 C ATOM 0 H LEU A 32 -0.339 -5.626 2.483 1.00 0.00 H new ATOM 0 HA LEU A 32 0.624 -4.343 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.431 -7.160 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.026 -6.523 5.915 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.082 -5.366 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.655 -6.096 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.765 -7.468 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.307 -6.835 6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.608 -3.866 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.219 -4.518 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.955 -3.609 5.348 1.00 0.00 H new ATOM 454 N LEU A 33 2.653 -6.852 3.983 1.00 0.00 N ATOM 455 CA LEU A 33 3.971 -7.397 4.286 1.00 0.00 C ATOM 456 C LEU A 33 4.937 -7.165 3.129 1.00 0.00 C ATOM 457 O LEU A 33 4.540 -7.068 1.967 1.00 0.00 O ATOM 458 CB LEU A 33 3.869 -8.894 4.587 1.00 0.00 C ATOM 459 CG LEU A 33 3.249 -9.267 5.934 1.00 0.00 C ATOM 460 CD1 LEU A 33 3.043 -10.771 6.028 1.00 0.00 C ATOM 461 CD2 LEU A 33 4.123 -8.774 7.078 1.00 0.00 C ATOM 0 H LEU A 33 2.181 -7.303 3.199 1.00 0.00 H new ATOM 0 HA LEU A 33 4.356 -6.880 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.283 -9.364 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.870 -9.323 4.539 1.00 0.00 H new ATOM 0 HG LEU A 33 2.276 -8.782 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.601 -11.018 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.377 -11.098 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.003 -11.277 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.666 -9.048 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.110 -9.230 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.219 -7.690 7.021 1.00 0.00 H new ATOM 473 N PRO A 34 6.236 -7.074 3.450 1.00 0.00 N ATOM 474 CA PRO A 34 7.285 -6.854 2.451 1.00 0.00 C ATOM 475 C PRO A 34 7.492 -8.068 1.551 1.00 0.00 C ATOM 476 O PRO A 34 7.753 -9.171 2.030 1.00 0.00 O ATOM 477 CB PRO A 34 8.534 -6.597 3.298 1.00 0.00 C ATOM 478 CG PRO A 34 8.263 -7.287 4.590 1.00 0.00 C ATOM 479 CD PRO A 34 6.780 -7.179 4.814 1.00 0.00 C ATOM 0 HA PRO A 34 7.038 -6.037 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.428 -6.994 2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.699 -5.530 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.576 -8.330 4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.816 -6.820 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.388 -8.051 5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.527 -6.306 5.416 1.00 0.00 H new ATOM 487 N VAL A 35 7.374 -7.856 0.244 1.00 0.00 N ATOM 488 CA VAL A 35 7.550 -8.933 -0.723 1.00 0.00 C ATOM 489 C VAL A 35 8.868 -9.666 -0.497 1.00 0.00 C ATOM 490 O VAL A 35 9.942 -9.122 -0.748 1.00 0.00 O ATOM 491 CB VAL A 35 7.512 -8.402 -2.168 1.00 0.00 C ATOM 492 CG1 VAL A 35 7.816 -9.518 -3.156 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.163 -7.766 -2.467 1.00 0.00 C ATOM 0 H VAL A 35 7.157 -6.949 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 35 6.722 -9.627 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 35 8.280 -7.636 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.784 -9.123 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.808 -9.922 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.074 -10.309 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.154 -7.396 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.375 -8.509 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.992 -6.937 -1.781 1.00 0.00 H new ATOM 503 N ASN A 36 8.777 -10.903 -0.022 1.00 0.00 N ATOM 504 CA ASN A 36 9.962 -11.711 0.239 1.00 0.00 C ATOM 505 C ASN A 36 10.904 -11.698 -0.962 1.00 0.00 C ATOM 506 O ASN A 36 10.690 -12.415 -1.940 1.00 0.00 O ATOM 507 CB ASN A 36 9.562 -13.150 0.571 1.00 0.00 C ATOM 508 CG ASN A 36 9.293 -13.348 2.051 1.00 0.00 C ATOM 509 OD1 ASN A 36 8.149 -13.282 2.499 1.00 0.00 O ATOM 510 ND2 ASN A 36 10.351 -13.592 2.816 1.00 0.00 N ATOM 0 H ASN A 36 7.894 -11.368 0.190 1.00 0.00 H new ATOM 0 HA ASN A 36 10.484 -11.280 1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.670 -13.417 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.356 -13.827 0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.233 -13.734 3.819 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.281 -13.638 2.400 1.00 0.00 H new ATOM 517 N LEU A 37 11.947 -10.879 -0.880 1.00 0.00 N ATOM 518 CA LEU A 37 12.922 -10.773 -1.959 1.00 0.00 C ATOM 519 C LEU A 37 13.662 -12.092 -2.157 1.00 0.00 C ATOM 520 O LEU A 37 13.981 -12.475 -3.283 1.00 0.00 O ATOM 521 CB LEU A 37 13.923 -9.654 -1.660 1.00 0.00 C ATOM 522 CG LEU A 37 13.323 -8.315 -1.231 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.424 -7.316 -0.909 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.406 -7.769 -2.316 1.00 0.00 C ATOM 0 H LEU A 37 12.139 -10.279 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 37 12.385 -10.537 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.596 -9.996 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.530 -9.489 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 37 12.731 -8.476 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.978 -6.369 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.041 -7.703 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.043 -7.159 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.988 -6.816 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.975 -7.623 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.597 -8.476 -2.499 1.00 0.00 H new ATOM 536 N LYS A 38 13.929 -12.785 -1.055 1.00 0.00 N ATOM 537 CA LYS A 38 14.628 -14.064 -1.106 1.00 0.00 C ATOM 538 C LYS A 38 13.750 -15.139 -1.740 1.00 0.00 C ATOM 539 O LYS A 38 14.223 -15.955 -2.531 1.00 0.00 O ATOM 540 CB LYS A 38 15.046 -14.497 0.301 1.00 0.00 C ATOM 541 CG LYS A 38 16.007 -13.531 0.973 1.00 0.00 C ATOM 542 CD LYS A 38 16.102 -13.790 2.468 1.00 0.00 C ATOM 543 CE LYS A 38 17.432 -13.315 3.032 1.00 0.00 C ATOM 544 NZ LYS A 38 17.411 -11.861 3.354 1.00 0.00 N ATOM 0 H LYS A 38 13.672 -12.482 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 38 15.519 -13.938 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.155 -14.600 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.512 -15.481 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.995 -13.626 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.676 -12.507 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.286 -13.280 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.983 -14.856 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.668 -13.883 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.225 -13.516 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.336 -11.577 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.211 -11.317 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.672 -11.673 4.061 1.00 0.00 H new ATOM 558 N LEU A 39 12.469 -15.132 -1.388 1.00 0.00 N ATOM 559 CA LEU A 39 11.523 -16.106 -1.924 1.00 0.00 C ATOM 560 C LEU A 39 11.197 -15.803 -3.383 1.00 0.00 C ATOM 561 O LEU A 39 11.416 -16.634 -4.264 1.00 0.00 O ATOM 562 CB LEU A 39 10.239 -16.110 -1.093 1.00 0.00 C ATOM 563 CG LEU A 39 10.397 -16.469 0.385 1.00 0.00 C ATOM 564 CD1 LEU A 39 9.044 -16.482 1.079 1.00 0.00 C ATOM 565 CD2 LEU A 39 11.089 -17.816 0.536 1.00 0.00 C ATOM 0 H LEU A 39 12.061 -14.464 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 39 11.986 -17.092 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.784 -15.122 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.540 -16.814 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 39 11.018 -15.709 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.177 -16.739 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.586 -15.496 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.398 -17.220 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.193 -18.055 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.495 -18.587 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.076 -17.772 0.076 1.00 0.00 H new ATOM 577 N VAL A 40 10.675 -14.606 -3.631 1.00 0.00 N ATOM 578 CA VAL A 40 10.322 -14.191 -4.983 1.00 0.00 C ATOM 579 C VAL A 40 11.545 -14.187 -5.894 1.00 0.00 C ATOM 580 O VAL A 40 12.626 -13.732 -5.520 1.00 0.00 O ATOM 581 CB VAL A 40 9.684 -12.789 -4.992 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.387 -12.346 -6.416 1.00 0.00 C ATOM 583 CG2 VAL A 40 8.421 -12.774 -4.145 1.00 0.00 C ATOM 0 H VAL A 40 10.487 -13.907 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 40 9.597 -14.914 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 40 10.393 -12.083 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.937 -11.353 -6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.314 -12.316 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.697 -13.051 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.983 -11.776 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.705 -13.491 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.668 -13.044 -3.118 1.00 0.00 H new ATOM 593 N PRO A 41 11.372 -14.705 -7.119 1.00 0.00 N ATOM 594 CA PRO A 41 12.451 -14.772 -8.109 1.00 0.00 C ATOM 595 C PRO A 41 12.837 -13.396 -8.639 1.00 0.00 C ATOM 596 O PRO A 41 12.386 -12.981 -9.706 1.00 0.00 O ATOM 597 CB PRO A 41 11.852 -15.628 -9.228 1.00 0.00 C ATOM 598 CG PRO A 41 10.379 -15.442 -9.100 1.00 0.00 C ATOM 599 CD PRO A 41 10.110 -15.266 -7.631 1.00 0.00 C ATOM 0 HA PRO A 41 13.369 -15.181 -7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.208 -15.306 -10.207 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.130 -16.676 -9.117 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.045 -14.572 -9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.841 -16.304 -9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.270 -14.594 -7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.867 -16.214 -7.150 1.00 0.00 H new ATOM 607 N GLY A 42 13.677 -12.691 -7.886 1.00 0.00 N ATOM 608 CA GLY A 42 14.110 -11.368 -8.297 1.00 0.00 C ATOM 609 C GLY A 42 12.978 -10.360 -8.293 1.00 0.00 C ATOM 610 O GLY A 42 12.359 -10.107 -9.327 1.00 0.00 O ATOM 0 H GLY A 42 14.065 -13.013 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.901 -11.024 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.539 -11.424 -9.297 1.00 0.00 H new ATOM 614 N TYR A 43 12.706 -9.784 -7.128 1.00 0.00 N ATOM 615 CA TYR A 43 11.638 -8.800 -6.992 1.00 0.00 C ATOM 616 C TYR A 43 12.180 -7.383 -7.147 1.00 0.00 C ATOM 617 O TYR A 43 11.687 -6.602 -7.962 1.00 0.00 O ATOM 618 CB TYR A 43 10.948 -8.949 -5.635 1.00 0.00 C ATOM 619 CG TYR A 43 9.766 -8.024 -5.452 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.672 -8.086 -6.306 1.00 0.00 C ATOM 621 CD2 TYR A 43 9.743 -7.090 -4.424 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.590 -7.242 -6.143 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.665 -6.243 -4.252 1.00 0.00 C ATOM 624 CZ TYR A 43 7.592 -6.322 -5.114 1.00 0.00 C ATOM 625 OH TYR A 43 6.516 -5.481 -4.947 1.00 0.00 O ATOM 0 H TYR A 43 13.210 -9.981 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 43 10.910 -8.980 -7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.613 -9.980 -5.518 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.674 -8.758 -4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.667 -8.806 -7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.582 -7.025 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.748 -7.302 -6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.663 -5.523 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 43 6.675 -4.896 -4.177 1.00 0.00 H new ATOM 635 N LYS A 44 13.198 -7.057 -6.359 1.00 0.00 N ATOM 636 CA LYS A 44 13.811 -5.734 -6.407 1.00 0.00 C ATOM 637 C LYS A 44 14.202 -5.368 -7.835 1.00 0.00 C ATOM 638 O LYS A 44 13.839 -4.303 -8.336 1.00 0.00 O ATOM 639 CB LYS A 44 15.044 -5.687 -5.501 1.00 0.00 C ATOM 640 CG LYS A 44 14.714 -5.456 -4.037 1.00 0.00 C ATOM 641 CD LYS A 44 15.928 -4.973 -3.261 1.00 0.00 C ATOM 642 CE LYS A 44 16.981 -6.064 -3.139 1.00 0.00 C ATOM 643 NZ LYS A 44 18.275 -5.531 -2.632 1.00 0.00 N ATOM 0 H LYS A 44 13.617 -7.691 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 44 13.079 -5.008 -6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.592 -6.624 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.707 -4.893 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.913 -4.721 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.344 -6.382 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.358 -4.105 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.621 -4.650 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.621 -6.843 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.136 -6.529 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.966 -6.305 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.632 -4.806 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.132 -5.109 -1.692 1.00 0.00 H new ATOM 657 N LYS A 45 14.944 -6.257 -8.487 1.00 0.00 N ATOM 658 CA LYS A 45 15.383 -6.029 -9.859 1.00 0.00 C ATOM 659 C LYS A 45 14.289 -5.345 -10.673 1.00 0.00 C ATOM 660 O LYS A 45 14.527 -4.320 -11.313 1.00 0.00 O ATOM 661 CB LYS A 45 15.771 -7.354 -10.519 1.00 0.00 C ATOM 662 CG LYS A 45 16.835 -8.124 -9.756 1.00 0.00 C ATOM 663 CD LYS A 45 17.108 -9.477 -10.393 1.00 0.00 C ATOM 664 CE LYS A 45 17.530 -10.506 -9.355 1.00 0.00 C ATOM 665 NZ LYS A 45 18.436 -11.537 -9.934 1.00 0.00 N ATOM 0 H LYS A 45 15.254 -7.143 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 45 16.255 -5.375 -9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.882 -7.977 -10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.131 -7.156 -11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.756 -7.542 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.514 -8.265 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.213 -9.825 -10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.890 -9.375 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.033 -10.003 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.645 -10.990 -8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.701 -12.220 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.948 -12.034 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.292 -11.078 -10.305 1.00 0.00 H new ATOM 679 N VAL A 46 13.090 -5.917 -10.643 1.00 0.00 N ATOM 680 CA VAL A 46 11.959 -5.360 -11.377 1.00 0.00 C ATOM 681 C VAL A 46 11.393 -4.135 -10.667 1.00 0.00 C ATOM 682 O VAL A 46 11.158 -3.099 -11.290 1.00 0.00 O ATOM 683 CB VAL A 46 10.837 -6.401 -11.553 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.633 -5.777 -12.242 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.345 -7.603 -12.335 1.00 0.00 C ATOM 0 H VAL A 46 12.876 -6.765 -10.119 1.00 0.00 H new ATOM 0 HA VAL A 46 12.331 -5.068 -12.359 1.00 0.00 H new ATOM 0 HB VAL A 46 10.524 -6.743 -10.567 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.851 -6.527 -12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.257 -4.950 -11.639 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.928 -5.406 -13.224 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.540 -8.329 -12.450 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.686 -7.280 -13.319 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.174 -8.063 -11.797 1.00 0.00 H new ATOM 695 N ILE A 47 11.179 -4.260 -9.362 1.00 0.00 N ATOM 696 CA ILE A 47 10.642 -3.162 -8.568 1.00 0.00 C ATOM 697 C ILE A 47 11.759 -2.269 -8.040 1.00 0.00 C ATOM 698 O ILE A 47 12.508 -2.656 -7.142 1.00 0.00 O ATOM 699 CB ILE A 47 9.810 -3.681 -7.380 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.652 -4.547 -7.880 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.289 -2.517 -6.550 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.734 -3.829 -8.845 1.00 0.00 C ATOM 0 H ILE A 47 11.369 -5.110 -8.832 1.00 0.00 H new ATOM 0 HA ILE A 47 9.996 -2.582 -9.227 1.00 0.00 H new ATOM 0 HB ILE A 47 10.451 -4.295 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.056 -5.434 -8.367 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.070 -4.891 -7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.703 -2.900 -5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.129 -1.937 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.661 -1.879 -7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.936 -4.503 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.301 -2.957 -8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.302 -3.509 -9.718 1.00 0.00 H new ATOM 714 N LYS A 48 11.866 -1.069 -8.602 1.00 0.00 N ATOM 715 CA LYS A 48 12.889 -0.118 -8.186 1.00 0.00 C ATOM 716 C LYS A 48 12.733 0.240 -6.712 1.00 0.00 C ATOM 717 O LYS A 48 13.687 0.156 -5.937 1.00 0.00 O ATOM 718 CB LYS A 48 12.812 1.150 -9.040 1.00 0.00 C ATOM 719 CG LYS A 48 13.061 0.903 -10.518 1.00 0.00 C ATOM 720 CD LYS A 48 14.490 0.459 -10.777 1.00 0.00 C ATOM 721 CE LYS A 48 14.881 0.658 -12.234 1.00 0.00 C ATOM 722 NZ LYS A 48 14.289 -0.387 -13.114 1.00 0.00 N ATOM 0 H LYS A 48 11.256 -0.733 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 48 13.863 -0.586 -8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.828 1.602 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.542 1.871 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.371 0.141 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.855 1.814 -11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.169 1.023 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.599 -0.592 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.552 1.642 -12.567 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.967 0.637 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.579 -0.217 -14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.622 -1.325 -12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.252 -0.350 -13.047 1.00 0.00 H new ATOM 736 N LYS A 49 11.525 0.638 -6.329 1.00 0.00 N ATOM 737 CA LYS A 49 11.242 1.006 -4.946 1.00 0.00 C ATOM 738 C LYS A 49 10.080 0.188 -4.392 1.00 0.00 C ATOM 739 O LYS A 49 8.918 0.586 -4.469 1.00 0.00 O ATOM 740 CB LYS A 49 10.921 2.499 -4.850 1.00 0.00 C ATOM 741 CG LYS A 49 12.153 3.380 -4.733 1.00 0.00 C ATOM 742 CD LYS A 49 11.807 4.849 -4.912 1.00 0.00 C ATOM 743 CE LYS A 49 11.408 5.492 -3.593 1.00 0.00 C ATOM 744 NZ LYS A 49 12.595 5.924 -2.805 1.00 0.00 N ATOM 0 H LYS A 49 10.725 0.714 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 49 12.129 0.792 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.354 2.797 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.279 2.669 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.617 3.231 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.886 3.084 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.663 5.377 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.991 4.947 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.768 6.353 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.821 4.785 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.281 6.357 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.193 5.099 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.142 6.618 -3.353 1.00 0.00 H new ATOM 758 N PRO A 50 10.399 -0.982 -3.819 1.00 0.00 N ATOM 759 CA PRO A 50 9.395 -1.879 -3.239 1.00 0.00 C ATOM 760 C PRO A 50 8.778 -1.311 -1.966 1.00 0.00 C ATOM 761 O PRO A 50 9.338 -1.449 -0.879 1.00 0.00 O ATOM 762 CB PRO A 50 10.191 -3.148 -2.928 1.00 0.00 C ATOM 763 CG PRO A 50 11.595 -2.682 -2.755 1.00 0.00 C ATOM 764 CD PRO A 50 11.764 -1.519 -3.693 1.00 0.00 C ATOM 0 HA PRO A 50 8.555 -2.042 -3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.822 -3.636 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.112 -3.873 -3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.782 -2.382 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.302 -3.478 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.453 -0.776 -3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.162 -1.835 -4.657 1.00 0.00 H new ATOM 772 N MET A 51 7.620 -0.674 -2.108 1.00 0.00 N ATOM 773 CA MET A 51 6.926 -0.087 -0.967 1.00 0.00 C ATOM 774 C MET A 51 5.947 -1.083 -0.356 1.00 0.00 C ATOM 775 O MET A 51 5.609 -2.094 -0.972 1.00 0.00 O ATOM 776 CB MET A 51 6.184 1.181 -1.392 1.00 0.00 C ATOM 777 CG MET A 51 5.674 2.007 -0.222 1.00 0.00 C ATOM 778 SD MET A 51 6.958 2.357 0.994 1.00 0.00 S ATOM 779 CE MET A 51 8.073 3.371 0.026 1.00 0.00 C ATOM 0 H MET A 51 7.143 -0.551 -3.001 1.00 0.00 H new ATOM 0 HA MET A 51 7.670 0.172 -0.214 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.850 1.796 -1.998 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.341 0.904 -2.026 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.267 2.947 -0.596 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.855 1.476 0.263 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.027 3.462 0.546 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.233 2.908 -0.948 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.638 4.361 -0.110 1.00 0.00 H new ATOM 789 N ASP A 52 5.494 -0.792 0.859 1.00 0.00 N ATOM 790 CA ASP A 52 4.552 -1.662 1.553 1.00 0.00 C ATOM 791 C ASP A 52 3.858 -0.916 2.688 1.00 0.00 C ATOM 792 O ASP A 52 4.466 -0.085 3.362 1.00 0.00 O ATOM 793 CB ASP A 52 5.273 -2.894 2.102 1.00 0.00 C ATOM 794 CG ASP A 52 6.312 -3.434 1.140 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.450 -2.917 1.143 1.00 0.00 O ATOM 796 OD2 ASP A 52 5.989 -4.374 0.384 1.00 0.00 O ATOM 0 H ASP A 52 5.764 0.040 1.383 1.00 0.00 H new ATOM 0 HA ASP A 52 3.795 -1.982 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.754 -2.639 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.542 -3.673 2.317 1.00 0.00 H new ATOM 801 N PHE A 53 2.580 -1.217 2.892 1.00 0.00 N ATOM 802 CA PHE A 53 1.801 -0.573 3.944 1.00 0.00 C ATOM 803 C PHE A 53 2.567 -0.571 5.264 1.00 0.00 C ATOM 804 O PHE A 53 2.719 0.469 5.904 1.00 0.00 O ATOM 805 CB PHE A 53 0.458 -1.285 4.122 1.00 0.00 C ATOM 806 CG PHE A 53 -0.542 -0.954 3.052 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.753 0.360 2.665 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.272 -1.956 2.433 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.673 0.668 1.681 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.194 -1.654 1.448 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.394 -0.341 1.071 1.00 0.00 C ATOM 0 H PHE A 53 2.061 -1.903 2.343 1.00 0.00 H new ATOM 0 HA PHE A 53 1.620 0.460 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.625 -2.362 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.041 -1.019 5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.192 1.152 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.119 -2.985 2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.828 1.696 1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.757 -2.444 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.113 -0.103 0.301 1.00 0.00 H new ATOM 821 N SER A 54 3.047 -1.744 5.665 1.00 0.00 N ATOM 822 CA SER A 54 3.794 -1.879 6.910 1.00 0.00 C ATOM 823 C SER A 54 4.867 -0.800 7.020 1.00 0.00 C ATOM 824 O SER A 54 5.119 -0.265 8.101 1.00 0.00 O ATOM 825 CB SER A 54 4.438 -3.264 6.995 1.00 0.00 C ATOM 826 OG SER A 54 5.331 -3.345 8.093 1.00 0.00 O ATOM 0 H SER A 54 2.932 -2.614 5.146 1.00 0.00 H new ATOM 0 HA SER A 54 3.096 -1.759 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.663 -4.023 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.974 -3.477 6.070 1.00 0.00 H new ATOM 0 HG SER A 54 5.728 -4.240 8.126 1.00 0.00 H new ATOM 832 N THR A 55 5.497 -0.483 5.893 1.00 0.00 N ATOM 833 CA THR A 55 6.543 0.531 5.861 1.00 0.00 C ATOM 834 C THR A 55 5.948 1.934 5.816 1.00 0.00 C ATOM 835 O THR A 55 6.283 2.787 6.638 1.00 0.00 O ATOM 836 CB THR A 55 7.473 0.341 4.648 1.00 0.00 C ATOM 837 OG1 THR A 55 8.069 -0.960 4.687 1.00 0.00 O ATOM 838 CG2 THR A 55 8.562 1.403 4.630 1.00 0.00 C ATOM 0 H THR A 55 5.301 -0.915 4.990 1.00 0.00 H new ATOM 0 HA THR A 55 7.123 0.415 6.776 1.00 0.00 H new ATOM 0 HB THR A 55 6.876 0.440 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.657 -1.074 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.207 1.249 3.765 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.106 2.391 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.155 1.331 5.542 1.00 0.00 H new ATOM 846 N ILE A 56 5.063 2.165 4.852 1.00 0.00 N ATOM 847 CA ILE A 56 4.420 3.465 4.702 1.00 0.00 C ATOM 848 C ILE A 56 3.896 3.977 6.039 1.00 0.00 C ATOM 849 O ILE A 56 4.038 5.156 6.363 1.00 0.00 O ATOM 850 CB ILE A 56 3.256 3.404 3.696 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.784 3.133 2.286 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.459 4.700 3.729 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.708 2.723 1.306 1.00 0.00 C ATOM 0 H ILE A 56 4.775 1.470 4.164 1.00 0.00 H new ATOM 0 HA ILE A 56 5.179 4.151 4.326 1.00 0.00 H new ATOM 0 HB ILE A 56 2.594 2.585 3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.280 4.029 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.538 2.348 2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.640 4.642 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.056 4.854 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.110 5.534 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.155 2.547 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.227 1.809 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.965 3.517 1.228 1.00 0.00 H new ATOM 865 N ARG A 57 3.291 3.081 6.813 1.00 0.00 N ATOM 866 CA ARG A 57 2.745 3.442 8.116 1.00 0.00 C ATOM 867 C ARG A 57 3.820 4.065 9.002 1.00 0.00 C ATOM 868 O ARG A 57 3.743 5.242 9.352 1.00 0.00 O ATOM 869 CB ARG A 57 2.154 2.210 8.804 1.00 0.00 C ATOM 870 CG ARG A 57 1.632 2.486 10.204 1.00 0.00 C ATOM 871 CD ARG A 57 0.275 3.172 10.168 1.00 0.00 C ATOM 872 NE ARG A 57 -0.803 2.235 9.862 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.407 1.486 10.777 1.00 0.00 C ATOM 874 NH1 ARG A 57 -1.041 1.563 12.049 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.381 0.657 10.421 1.00 0.00 N ATOM 0 H ARG A 57 3.167 2.101 6.560 1.00 0.00 H new ATOM 0 HA ARG A 57 1.955 4.177 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.341 1.818 8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.916 1.433 8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.553 1.549 10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.343 3.113 10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.082 3.645 11.131 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.289 3.965 9.420 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.108 2.152 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.294 2.199 12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.507 0.986 12.750 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.666 0.595 9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.844 0.082 11.125 1.00 0.00 H new ATOM 889 N GLU A 58 4.821 3.267 9.360 1.00 0.00 N ATOM 890 CA GLU A 58 5.911 3.741 10.205 1.00 0.00 C ATOM 891 C GLU A 58 6.387 5.120 9.757 1.00 0.00 C ATOM 892 O GLU A 58 6.688 5.984 10.581 1.00 0.00 O ATOM 893 CB GLU A 58 7.077 2.751 10.175 1.00 0.00 C ATOM 894 CG GLU A 58 6.804 1.465 10.937 1.00 0.00 C ATOM 895 CD GLU A 58 6.911 1.643 12.439 1.00 0.00 C ATOM 896 OE1 GLU A 58 6.185 2.499 12.987 1.00 0.00 O ATOM 897 OE2 GLU A 58 7.719 0.927 13.066 1.00 0.00 O ATOM 0 H GLU A 58 4.900 2.290 9.078 1.00 0.00 H new ATOM 0 HA GLU A 58 5.537 3.819 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.309 2.507 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.961 3.231 10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.806 1.104 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.509 0.699 10.614 1.00 0.00 H new ATOM 904 N LYS A 59 6.453 5.318 8.445 1.00 0.00 N ATOM 905 CA LYS A 59 6.892 6.591 7.885 1.00 0.00 C ATOM 906 C LYS A 59 5.878 7.692 8.176 1.00 0.00 C ATOM 907 O LYS A 59 6.221 8.734 8.736 1.00 0.00 O ATOM 908 CB LYS A 59 7.101 6.462 6.374 1.00 0.00 C ATOM 909 CG LYS A 59 8.280 5.582 5.996 1.00 0.00 C ATOM 910 CD LYS A 59 8.120 5.005 4.599 1.00 0.00 C ATOM 911 CE LYS A 59 8.417 6.044 3.530 1.00 0.00 C ATOM 912 NZ LYS A 59 8.809 5.415 2.238 1.00 0.00 N ATOM 0 H LYS A 59 6.208 4.613 7.749 1.00 0.00 H new ATOM 0 HA LYS A 59 7.838 6.859 8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.196 6.055 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.249 7.455 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.200 6.164 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.375 4.770 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.790 4.154 4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.104 4.632 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.537 6.669 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.218 6.699 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.737 5.779 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.863 4.383 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.100 5.643 1.512 1.00 0.00 H new ATOM 926 N LEU A 60 4.628 7.455 7.794 1.00 0.00 N ATOM 927 CA LEU A 60 3.563 8.427 8.016 1.00 0.00 C ATOM 928 C LEU A 60 3.657 9.029 9.414 1.00 0.00 C ATOM 929 O LEU A 60 3.813 10.239 9.570 1.00 0.00 O ATOM 930 CB LEU A 60 2.196 7.768 7.822 1.00 0.00 C ATOM 931 CG LEU A 60 1.092 8.664 7.260 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.255 7.962 7.336 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.048 9.989 8.008 1.00 0.00 C ATOM 0 H LEU A 60 4.327 6.598 7.329 1.00 0.00 H new ATOM 0 HA LEU A 60 3.679 9.229 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.318 6.914 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.864 7.376 8.784 1.00 0.00 H new ATOM 0 HG LEU A 60 1.314 8.868 6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.029 8.615 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.218 7.040 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.485 7.727 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.256 10.614 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.850 9.804 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.006 10.499 7.902 1.00 0.00 H new ATOM 945 N SER A 61 3.564 8.174 10.428 1.00 0.00 N ATOM 946 CA SER A 61 3.637 8.621 11.814 1.00 0.00 C ATOM 947 C SER A 61 4.985 9.274 12.104 1.00 0.00 C ATOM 948 O SER A 61 5.058 10.300 12.779 1.00 0.00 O ATOM 949 CB SER A 61 3.412 7.444 12.764 1.00 0.00 C ATOM 950 OG SER A 61 4.530 6.572 12.770 1.00 0.00 O ATOM 0 H SER A 61 3.438 7.168 10.315 1.00 0.00 H new ATOM 0 HA SER A 61 2.853 9.361 11.973 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.232 7.816 13.773 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.520 6.895 12.463 1.00 0.00 H new ATOM 0 HG SER A 61 4.362 5.829 13.386 1.00 0.00 H new ATOM 956 N SER A 62 6.051 8.670 11.587 1.00 0.00 N ATOM 957 CA SER A 62 7.398 9.189 11.793 1.00 0.00 C ATOM 958 C SER A 62 7.515 10.618 11.270 1.00 0.00 C ATOM 959 O SER A 62 8.407 11.365 11.669 1.00 0.00 O ATOM 960 CB SER A 62 8.424 8.293 11.097 1.00 0.00 C ATOM 961 OG SER A 62 8.733 7.160 11.890 1.00 0.00 O ATOM 0 H SER A 62 6.008 7.821 11.023 1.00 0.00 H new ATOM 0 HA SER A 62 7.599 9.195 12.864 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.034 7.970 10.132 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.333 8.861 10.899 1.00 0.00 H new ATOM 0 HG SER A 62 8.118 6.429 11.670 1.00 0.00 H new ATOM 967 N GLY A 63 6.608 10.989 10.372 1.00 0.00 N ATOM 968 CA GLY A 63 6.626 12.326 9.808 1.00 0.00 C ATOM 969 C GLY A 63 7.546 12.436 8.608 1.00 0.00 C ATOM 970 O GLY A 63 8.171 13.474 8.392 1.00 0.00 O ATOM 0 H GLY A 63 5.861 10.388 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.615 12.607 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.944 13.035 10.572 1.00 0.00 H new ATOM 974 N GLN A 64 7.630 11.364 7.828 1.00 0.00 N ATOM 975 CA GLN A 64 8.482 11.344 6.645 1.00 0.00 C ATOM 976 C GLN A 64 7.833 12.105 5.494 1.00 0.00 C ATOM 977 O GLN A 64 8.520 12.704 4.666 1.00 0.00 O ATOM 978 CB GLN A 64 8.771 9.903 6.222 1.00 0.00 C ATOM 979 CG GLN A 64 9.644 9.143 7.207 1.00 0.00 C ATOM 980 CD GLN A 64 10.490 8.079 6.536 1.00 0.00 C ATOM 981 OE1 GLN A 64 10.460 7.924 5.315 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.251 7.338 7.333 1.00 0.00 N ATOM 0 H GLN A 64 7.118 10.497 7.994 1.00 0.00 H new ATOM 0 HA GLN A 64 9.422 11.836 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.827 9.372 6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.259 9.910 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.295 9.846 7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.012 8.676 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.245 7.501 8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.842 6.606 6.938 1.00 0.00 H new ATOM 991 N TYR A 65 6.506 12.076 5.446 1.00 0.00 N ATOM 992 CA TYR A 65 5.763 12.761 4.395 1.00 0.00 C ATOM 993 C TYR A 65 5.493 14.213 4.775 1.00 0.00 C ATOM 994 O TYR A 65 4.725 14.510 5.691 1.00 0.00 O ATOM 995 CB TYR A 65 4.442 12.039 4.121 1.00 0.00 C ATOM 996 CG TYR A 65 4.612 10.580 3.765 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.373 10.197 2.667 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.011 9.584 4.524 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.531 8.865 2.337 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.164 8.249 4.202 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.924 7.895 3.107 1.00 0.00 C ATOM 1002 OH TYR A 65 5.078 6.566 2.782 1.00 0.00 O ATOM 0 H TYR A 65 5.922 11.585 6.123 1.00 0.00 H new ATOM 0 HA TYR A 65 6.370 12.749 3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.805 12.117 5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.923 12.545 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.849 10.954 2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.414 9.858 5.381 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.127 8.585 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.691 7.487 4.804 1.00 0.00 H new ATOM 0 HH TYR A 65 5.797 6.472 2.123 1.00 0.00 H new ATOM 1012 N PRO A 66 6.139 15.142 4.055 1.00 0.00 N ATOM 1013 CA PRO A 66 5.985 16.580 4.297 1.00 0.00 C ATOM 1014 C PRO A 66 4.604 17.090 3.898 1.00 0.00 C ATOM 1015 O PRO A 66 4.129 18.096 4.422 1.00 0.00 O ATOM 1016 CB PRO A 66 7.064 17.206 3.409 1.00 0.00 C ATOM 1017 CG PRO A 66 7.286 16.211 2.324 1.00 0.00 C ATOM 1018 CD PRO A 66 7.070 14.861 2.949 1.00 0.00 C ATOM 0 HA PRO A 66 6.085 16.829 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.738 18.165 3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.980 17.391 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.594 16.374 1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.294 16.296 1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.647 14.152 2.238 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.004 14.431 3.310 1.00 0.00 H new ATOM 1026 N ASN A 67 3.966 16.389 2.966 1.00 0.00 N ATOM 1027 CA ASN A 67 2.639 16.771 2.497 1.00 0.00 C ATOM 1028 C ASN A 67 1.882 15.560 1.960 1.00 0.00 C ATOM 1029 O ASN A 67 2.372 14.432 2.018 1.00 0.00 O ATOM 1030 CB ASN A 67 2.749 17.842 1.409 1.00 0.00 C ATOM 1031 CG ASN A 67 3.913 18.785 1.642 1.00 0.00 C ATOM 1032 OD1 ASN A 67 3.741 19.882 2.175 1.00 0.00 O ATOM 1033 ND2 ASN A 67 5.107 18.362 1.243 1.00 0.00 N ATOM 0 H ASN A 67 4.346 15.554 2.521 1.00 0.00 H new ATOM 0 HA ASN A 67 2.085 17.177 3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.864 17.360 0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.822 18.415 1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.928 18.954 1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.203 17.445 0.806 1.00 0.00 H new ATOM 1040 N LEU A 68 0.685 15.802 1.437 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.141 14.732 0.888 1.00 0.00 C ATOM 1042 C LEU A 68 0.523 14.103 -0.332 1.00 0.00 C ATOM 1043 O LEU A 68 0.712 12.889 -0.391 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.522 15.270 0.511 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.289 15.989 1.622 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.500 16.712 1.053 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.712 15.004 2.702 1.00 0.00 C ATOM 0 H LEU A 68 0.265 16.730 1.381 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.254 13.964 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.406 15.958 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.130 14.437 0.157 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.628 16.730 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.033 17.218 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.173 17.446 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.163 15.991 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.256 15.533 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.355 14.240 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.828 14.532 3.131 1.00 0.00 H new ATOM 1059 N GLU A 69 0.877 14.939 -1.304 1.00 0.00 N ATOM 1060 CA GLU A 69 1.522 14.464 -2.522 1.00 0.00 C ATOM 1061 C GLU A 69 2.437 13.279 -2.227 1.00 0.00 C ATOM 1062 O GLU A 69 2.158 12.149 -2.629 1.00 0.00 O ATOM 1063 CB GLU A 69 2.324 15.592 -3.175 1.00 0.00 C ATOM 1064 CG GLU A 69 2.865 15.238 -4.550 1.00 0.00 C ATOM 1065 CD GLU A 69 1.865 15.508 -5.657 1.00 0.00 C ATOM 1066 OE1 GLU A 69 0.829 14.813 -5.703 1.00 0.00 O ATOM 1067 OE2 GLU A 69 2.119 16.414 -6.479 1.00 0.00 O ATOM 0 H GLU A 69 0.728 15.948 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 69 0.743 14.137 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.690 16.475 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.157 15.858 -2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.773 15.811 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.144 14.184 -4.566 1.00 0.00 H new ATOM 1074 N THR A 70 3.533 13.546 -1.523 1.00 0.00 N ATOM 1075 CA THR A 70 4.490 12.504 -1.175 1.00 0.00 C ATOM 1076 C THR A 70 3.781 11.242 -0.700 1.00 0.00 C ATOM 1077 O THR A 70 3.952 10.167 -1.276 1.00 0.00 O ATOM 1078 CB THR A 70 5.462 12.978 -0.077 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.728 13.397 1.079 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.327 14.124 -0.578 1.00 0.00 C ATOM 0 H THR A 70 3.779 14.476 -1.183 1.00 0.00 H new ATOM 0 HA THR A 70 5.056 12.280 -2.079 1.00 0.00 H new ATOM 0 HB THR A 70 6.111 12.143 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.386 14.304 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.005 14.442 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.906 13.793 -1.440 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.691 14.960 -0.868 1.00 0.00 H new ATOM 1088 N PHE A 71 2.983 11.378 0.354 1.00 0.00 N ATOM 1089 CA PHE A 71 2.247 10.247 0.907 1.00 0.00 C ATOM 1090 C PHE A 71 1.550 9.459 -0.198 1.00 0.00 C ATOM 1091 O PHE A 71 1.643 8.233 -0.254 1.00 0.00 O ATOM 1092 CB PHE A 71 1.217 10.732 1.929 1.00 0.00 C ATOM 1093 CG PHE A 71 0.287 9.652 2.403 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.645 8.822 3.453 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -0.945 9.466 1.797 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.209 7.827 3.891 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.803 8.474 2.231 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.434 7.652 3.278 1.00 0.00 C ATOM 0 H PHE A 71 2.830 12.260 0.842 1.00 0.00 H new ATOM 0 HA PHE A 71 2.961 9.590 1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.740 11.153 2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.630 11.537 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.602 8.954 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.238 10.104 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.081 7.187 4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.762 8.341 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.102 6.874 3.617 1.00 0.00 H new ATOM 1108 N ALA A 72 0.851 10.172 -1.075 1.00 0.00 N ATOM 1109 CA ALA A 72 0.140 9.541 -2.180 1.00 0.00 C ATOM 1110 C ALA A 72 1.105 8.819 -3.114 1.00 0.00 C ATOM 1111 O ALA A 72 0.862 7.680 -3.515 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.666 10.577 -2.949 1.00 0.00 C ATOM 0 H ALA A 72 0.762 11.188 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.543 8.801 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.192 10.092 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.390 11.044 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.005 11.338 -3.346 1.00 0.00 H new ATOM 1118 N LEU A 73 2.201 9.488 -3.457 1.00 0.00 N ATOM 1119 CA LEU A 73 3.204 8.910 -4.345 1.00 0.00 C ATOM 1120 C LEU A 73 3.595 7.510 -3.885 1.00 0.00 C ATOM 1121 O LEU A 73 3.732 6.595 -4.698 1.00 0.00 O ATOM 1122 CB LEU A 73 4.442 9.807 -4.399 1.00 0.00 C ATOM 1123 CG LEU A 73 4.272 11.142 -5.124 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.392 12.100 -4.747 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.233 10.931 -6.630 1.00 0.00 C ATOM 0 H LEU A 73 2.417 10.431 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 73 2.772 8.837 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.764 10.010 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.246 9.253 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 73 3.324 11.583 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.255 13.045 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.373 12.277 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.352 11.666 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.111 11.892 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.164 10.468 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.396 10.282 -6.885 1.00 0.00 H new ATOM 1137 N ASP A 74 3.772 7.349 -2.579 1.00 0.00 N ATOM 1138 CA ASP A 74 4.145 6.059 -2.010 1.00 0.00 C ATOM 1139 C ASP A 74 3.010 5.051 -2.161 1.00 0.00 C ATOM 1140 O ASP A 74 3.218 3.932 -2.631 1.00 0.00 O ATOM 1141 CB ASP A 74 4.513 6.215 -0.534 1.00 0.00 C ATOM 1142 CG ASP A 74 5.870 6.863 -0.341 1.00 0.00 C ATOM 1143 OD1 ASP A 74 6.113 7.923 -0.953 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.689 6.309 0.422 1.00 0.00 O ATOM 0 H ASP A 74 3.663 8.096 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 74 5.013 5.687 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.753 6.815 -0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.510 5.235 -0.056 1.00 0.00 H new ATOM 1149 N VAL A 75 1.810 5.454 -1.756 1.00 0.00 N ATOM 1150 CA VAL A 75 0.641 4.586 -1.846 1.00 0.00 C ATOM 1151 C VAL A 75 0.452 4.064 -3.266 1.00 0.00 C ATOM 1152 O VAL A 75 0.475 2.857 -3.503 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.639 5.321 -1.405 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.846 4.402 -1.514 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.487 5.850 0.013 1.00 0.00 C ATOM 0 H VAL A 75 1.621 6.376 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 75 0.818 3.746 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.798 6.170 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.741 4.938 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.963 4.077 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.700 3.532 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.400 6.366 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.304 5.019 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.352 6.545 0.054 1.00 0.00 H new ATOM 1165 N ARG A 76 0.264 4.983 -4.208 1.00 0.00 N ATOM 1166 CA ARG A 76 0.070 4.616 -5.605 1.00 0.00 C ATOM 1167 C ARG A 76 1.167 3.665 -6.075 1.00 0.00 C ATOM 1168 O ARG A 76 0.932 2.795 -6.915 1.00 0.00 O ATOM 1169 CB ARG A 76 0.053 5.867 -6.485 1.00 0.00 C ATOM 1170 CG ARG A 76 -0.960 6.910 -6.042 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.546 8.308 -6.475 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.539 9.312 -6.103 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.376 10.615 -6.302 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -0.266 11.069 -6.867 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.325 11.468 -5.937 1.00 0.00 N ATOM 0 H ARG A 76 0.242 5.987 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.890 4.106 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.047 6.315 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.164 5.575 -7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.937 6.672 -6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.064 6.880 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.412 8.560 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.400 8.325 -7.555 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.405 8.995 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.466 10.417 -7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.144 12.070 -7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.181 11.123 -5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.198 12.468 -6.091 1.00 0.00 H new ATOM 1189 N LEU A 77 2.365 3.837 -5.529 1.00 0.00 N ATOM 1190 CA LEU A 77 3.500 2.995 -5.892 1.00 0.00 C ATOM 1191 C LEU A 77 3.315 1.575 -5.365 1.00 0.00 C ATOM 1192 O LEU A 77 3.792 0.612 -5.965 1.00 0.00 O ATOM 1193 CB LEU A 77 4.798 3.589 -5.343 1.00 0.00 C ATOM 1194 CG LEU A 77 6.084 2.853 -5.718 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.359 2.982 -7.209 1.00 0.00 C ATOM 1196 CD2 LEU A 77 7.259 3.385 -4.910 1.00 0.00 C ATOM 0 H LEU A 77 2.576 4.552 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 77 3.558 2.955 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.878 4.619 -5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.727 3.624 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 77 5.956 1.796 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.279 2.452 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.530 2.552 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.466 4.035 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.166 2.849 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.388 4.448 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.066 3.239 -3.847 1.00 0.00 H new ATOM 1208 N VAL A 78 2.617 1.453 -4.241 1.00 0.00 N ATOM 1209 CA VAL A 78 2.365 0.151 -3.635 1.00 0.00 C ATOM 1210 C VAL A 78 1.503 -0.720 -4.542 1.00 0.00 C ATOM 1211 O VAL A 78 1.730 -1.924 -4.664 1.00 0.00 O ATOM 1212 CB VAL A 78 1.671 0.293 -2.267 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.199 -1.063 -1.764 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.605 0.948 -1.262 1.00 0.00 C ATOM 0 H VAL A 78 2.216 2.240 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 78 3.335 -0.325 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 78 0.797 0.933 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.711 -0.943 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.492 -1.489 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.055 -1.730 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.099 1.041 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.499 0.336 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.888 1.938 -1.620 1.00 0.00 H new ATOM 1224 N PHE A 79 0.512 -0.103 -5.177 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.386 -0.822 -6.074 1.00 0.00 C ATOM 1226 C PHE A 79 0.152 -0.817 -7.501 1.00 0.00 C ATOM 1227 O PHE A 79 -0.178 -1.690 -8.304 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.782 -0.198 -6.041 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.212 0.238 -4.669 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.091 -0.619 -3.587 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.736 1.503 -4.462 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.487 -0.221 -2.324 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.133 1.907 -3.200 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.007 1.043 -2.130 1.00 0.00 C ATOM 0 H PHE A 79 0.310 0.893 -5.087 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.450 -1.855 -5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.802 0.662 -6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.503 -0.919 -6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.683 -1.608 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.836 2.182 -5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.390 -0.899 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.541 2.896 -3.052 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.315 1.356 -1.143 1.00 0.00 H new ATOM 1244 N ASP A 80 0.983 0.172 -7.810 1.00 0.00 N ATOM 1245 CA ASP A 80 1.568 0.292 -9.141 1.00 0.00 C ATOM 1246 C ASP A 80 2.662 -0.751 -9.349 1.00 0.00 C ATOM 1247 O ASP A 80 2.712 -1.412 -10.385 1.00 0.00 O ATOM 1248 CB ASP A 80 2.140 1.696 -9.345 1.00 0.00 C ATOM 1249 CG ASP A 80 3.327 1.706 -10.289 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.354 1.077 -9.958 1.00 0.00 O ATOM 1251 OD2 ASP A 80 3.228 2.342 -11.359 1.00 0.00 O ATOM 0 H ASP A 80 1.267 0.902 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 80 0.781 0.119 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.361 2.349 -9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.442 2.106 -8.381 1.00 0.00 H new ATOM 1256 N ASN A 81 3.535 -0.892 -8.358 1.00 0.00 N ATOM 1257 CA ASN A 81 4.629 -1.853 -8.434 1.00 0.00 C ATOM 1258 C ASN A 81 4.095 -3.282 -8.485 1.00 0.00 C ATOM 1259 O ASN A 81 4.626 -4.128 -9.206 1.00 0.00 O ATOM 1260 CB ASN A 81 5.564 -1.690 -7.233 1.00 0.00 C ATOM 1261 CG ASN A 81 6.498 -0.505 -7.386 1.00 0.00 C ATOM 1262 OD1 ASN A 81 6.664 0.033 -8.481 1.00 0.00 O ATOM 1263 ND2 ASN A 81 7.115 -0.093 -6.284 1.00 0.00 N ATOM 0 H ASN A 81 3.506 -0.353 -7.492 1.00 0.00 H new ATOM 0 HA ASN A 81 5.187 -1.658 -9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.970 -1.567 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.152 -2.599 -7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.756 0.699 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.947 -0.569 -5.397 1.00 0.00 H new ATOM 1270 N CYS A 82 3.043 -3.542 -7.718 1.00 0.00 N ATOM 1271 CA CYS A 82 2.437 -4.868 -7.675 1.00 0.00 C ATOM 1272 C CYS A 82 1.827 -5.230 -9.026 1.00 0.00 C ATOM 1273 O CYS A 82 1.822 -6.394 -9.423 1.00 0.00 O ATOM 1274 CB CYS A 82 1.365 -4.927 -6.586 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.264 -4.355 -7.121 1.00 0.00 S ATOM 0 H CYS A 82 2.592 -2.852 -7.117 1.00 0.00 H new ATOM 0 HA CYS A 82 3.219 -5.591 -7.444 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.279 -5.954 -6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.690 -4.323 -5.739 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.142 -3.224 -7.749 1.00 0.00 H new ATOM 1281 N GLU A 83 1.310 -4.224 -9.725 1.00 0.00 N ATOM 1282 CA GLU A 83 0.695 -4.438 -11.029 1.00 0.00 C ATOM 1283 C GLU A 83 1.756 -4.685 -12.098 1.00 0.00 C ATOM 1284 O GLU A 83 1.487 -5.310 -13.124 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.163 -3.231 -11.417 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.593 -3.234 -12.875 1.00 0.00 C ATOM 1287 CD GLU A 83 -1.921 -2.535 -13.092 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.741 -2.511 -12.151 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -2.139 -2.011 -14.204 1.00 0.00 O ATOM 0 H GLU A 83 1.305 -3.254 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 83 0.060 -5.321 -10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.051 -3.209 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.396 -2.318 -11.214 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.173 -2.746 -13.477 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.667 -4.263 -13.226 1.00 0.00 H new ATOM 1296 N THR A 84 2.965 -4.191 -11.848 1.00 0.00 N ATOM 1297 CA THR A 84 4.067 -4.357 -12.788 1.00 0.00 C ATOM 1298 C THR A 84 4.761 -5.699 -12.590 1.00 0.00 C ATOM 1299 O THR A 84 5.194 -6.333 -13.553 1.00 0.00 O ATOM 1300 CB THR A 84 5.105 -3.228 -12.640 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.528 -1.977 -13.031 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.336 -3.511 -13.488 1.00 0.00 C ATOM 0 H THR A 84 3.206 -3.673 -11.003 1.00 0.00 H new ATOM 0 HA THR A 84 3.638 -4.318 -13.789 1.00 0.00 H new ATOM 0 HB THR A 84 5.407 -3.177 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.932 -1.656 -12.322 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.055 -2.701 -13.368 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.790 -4.449 -13.169 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.046 -3.586 -14.536 1.00 0.00 H new ATOM 1310 N PHE A 85 4.863 -6.129 -11.337 1.00 0.00 N ATOM 1311 CA PHE A 85 5.505 -7.397 -11.013 1.00 0.00 C ATOM 1312 C PHE A 85 4.496 -8.541 -11.041 1.00 0.00 C ATOM 1313 O PHE A 85 4.732 -9.576 -11.662 1.00 0.00 O ATOM 1314 CB PHE A 85 6.168 -7.321 -9.636 1.00 0.00 C ATOM 1315 CG PHE A 85 7.097 -8.467 -9.353 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.394 -8.461 -9.840 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.673 -9.551 -8.601 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.252 -9.514 -9.581 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.526 -10.606 -8.339 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.816 -10.588 -8.831 1.00 0.00 C ATOM 0 H PHE A 85 4.509 -5.617 -10.529 1.00 0.00 H new ATOM 0 HA PHE A 85 6.269 -7.591 -11.766 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.724 -6.386 -9.560 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.393 -7.294 -8.870 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.739 -7.624 -10.429 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.664 -9.571 -8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.261 -9.496 -9.965 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.184 -11.444 -7.750 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.483 -11.413 -8.629 1.00 0.00 H new ATOM 1330 N ASN A 86 3.370 -8.345 -10.363 1.00 0.00 N ATOM 1331 CA ASN A 86 2.324 -9.360 -10.309 1.00 0.00 C ATOM 1332 C ASN A 86 1.343 -9.193 -11.466 1.00 0.00 C ATOM 1333 O ASN A 86 1.313 -8.152 -12.121 1.00 0.00 O ATOM 1334 CB ASN A 86 1.575 -9.280 -8.977 1.00 0.00 C ATOM 1335 CG ASN A 86 2.515 -9.264 -7.786 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.977 -10.311 -7.333 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.800 -8.073 -7.274 1.00 0.00 N ATOM 0 H ASN A 86 3.158 -7.493 -9.844 1.00 0.00 H new ATOM 0 HA ASN A 86 2.797 -10.338 -10.395 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.959 -8.381 -8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.899 -10.131 -8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.426 -7.999 -6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.393 -7.232 -7.683 1.00 0.00 H new ATOM 1383 N SER A 90 -3.220 -13.190 -10.997 1.00 0.00 N ATOM 1384 CA SER A 90 -2.755 -13.754 -9.735 1.00 0.00 C ATOM 1385 C SER A 90 -3.493 -13.129 -8.555 1.00 0.00 C ATOM 1386 O SER A 90 -3.925 -11.977 -8.619 1.00 0.00 O ATOM 1387 CB SER A 90 -1.248 -13.538 -9.580 1.00 0.00 C ATOM 1388 OG SER A 90 -0.955 -12.185 -9.278 1.00 0.00 O ATOM 0 HA SER A 90 -2.963 -14.824 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.865 -14.182 -8.788 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.740 -13.827 -10.500 1.00 0.00 H new ATOM 0 HG SER A 90 0.014 -12.074 -9.182 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.634 -13.896 -7.480 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.320 -13.418 -6.285 1.00 0.00 C ATOM 1396 C ASP A 91 -3.954 -11.966 -5.993 1.00 0.00 C ATOM 1397 O ASP A 91 -4.806 -11.078 -6.050 1.00 0.00 O ATOM 1398 CB ASP A 91 -3.968 -14.297 -5.084 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.250 -15.765 -5.338 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -3.362 -16.454 -5.882 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.358 -16.224 -4.991 1.00 0.00 O ATOM 0 H ASP A 91 -3.283 -14.851 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.394 -13.474 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.913 -14.169 -4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.537 -13.966 -4.216 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.685 -11.732 -5.678 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.208 -10.388 -5.377 1.00 0.00 C ATOM 1408 C ILE A 92 -2.658 -9.394 -6.442 1.00 0.00 C ATOM 1409 O ILE A 92 -3.166 -8.318 -6.127 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.672 -10.347 -5.269 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.207 -11.090 -4.015 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.181 -8.907 -5.251 1.00 0.00 C ATOM 1413 CD1 ILE A 92 1.262 -10.900 -3.710 1.00 0.00 C ATOM 0 H ILE A 92 -1.968 -12.456 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.639 -10.108 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.248 -10.844 -6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.794 -10.749 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.410 -12.154 -4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.906 -8.894 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.486 -8.407 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.611 -8.387 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.521 -11.455 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.858 -11.267 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.468 -9.841 -3.556 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.470 -9.762 -7.706 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.864 -8.892 -8.799 1.00 0.00 C ATOM 1427 C GLY A 93 -4.256 -8.322 -8.613 1.00 0.00 C ATOM 1428 O GLY A 93 -4.423 -7.112 -8.459 1.00 0.00 O ATOM 0 H GLY A 93 -2.052 -10.647 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.148 -8.074 -8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.825 -9.449 -9.735 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.258 -9.195 -8.629 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.643 -8.770 -8.464 1.00 0.00 C ATOM 1434 C ARG A 94 -6.783 -7.819 -7.279 1.00 0.00 C ATOM 1435 O ARG A 94 -7.451 -6.790 -7.373 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.551 -9.986 -8.265 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.448 -11.012 -9.382 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.491 -12.108 -9.228 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.010 -13.207 -8.395 1.00 0.00 N ATOM 1440 CZ ARG A 94 -8.537 -14.426 -8.411 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -9.557 -14.701 -9.213 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -8.044 -15.374 -7.624 1.00 0.00 N ATOM 0 H ARG A 94 -5.137 -10.200 -8.754 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.945 -8.242 -9.369 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.300 -10.465 -7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.584 -9.648 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.577 -10.518 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.451 -11.454 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.396 -11.688 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.763 -12.491 -10.212 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.227 -13.029 -7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.939 -13.975 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.960 -15.638 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.260 -15.167 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.450 -16.310 -7.637 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.148 -8.171 -6.166 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.200 -7.348 -4.964 1.00 0.00 C ATOM 1458 C ALA A 95 -5.831 -5.901 -5.273 1.00 0.00 C ATOM 1459 O ALA A 95 -6.535 -4.972 -4.878 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.276 -7.913 -3.897 1.00 0.00 C ATOM 0 H ALA A 95 -5.592 -9.021 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.223 -7.363 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.325 -7.288 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.586 -8.927 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.253 -7.929 -4.273 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.722 -5.716 -5.982 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.279 -4.379 -6.331 1.00 0.00 C ATOM 1468 C GLY A 96 -5.383 -3.545 -6.949 1.00 0.00 C ATOM 1469 O GLY A 96 -5.780 -2.518 -6.396 1.00 0.00 O ATOM 0 H GLY A 96 -4.122 -6.468 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.907 -3.878 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.445 -4.447 -7.029 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.881 -3.984 -8.101 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.946 -3.270 -8.796 1.00 0.00 C ATOM 1475 C HIS A 97 -8.042 -2.848 -7.822 1.00 0.00 C ATOM 1476 O HIS A 97 -8.573 -1.742 -7.911 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.539 -4.145 -9.901 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.665 -4.253 -11.112 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.337 -3.171 -11.903 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.048 -5.323 -11.667 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.558 -3.572 -12.892 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.367 -4.873 -12.771 1.00 0.00 N ATOM 0 H HIS A 97 -5.564 -4.831 -8.573 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.517 -2.374 -9.244 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.721 -5.144 -9.504 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.506 -3.738 -10.196 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.085 -6.341 -11.308 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.147 -2.943 -13.668 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.805 -5.450 -13.396 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.377 -3.739 -6.893 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.411 -3.459 -5.904 1.00 0.00 C ATOM 1492 C ASN A 98 -8.946 -2.391 -4.918 1.00 0.00 C ATOM 1493 O ASN A 98 -9.740 -1.575 -4.452 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.784 -4.737 -5.150 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.826 -5.558 -5.884 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.395 -5.112 -6.881 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.081 -6.765 -5.393 1.00 0.00 N ATOM 0 H ASN A 98 -7.947 -4.660 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.290 -3.085 -6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.889 -5.341 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.162 -4.475 -4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.773 -7.364 -5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.585 -7.094 -4.564 1.00 0.00 H new ATOM 1504 N MET A 99 -7.654 -2.403 -4.607 1.00 0.00 N ATOM 1505 CA MET A 99 -7.083 -1.434 -3.678 1.00 0.00 C ATOM 1506 C MET A 99 -6.849 -0.094 -4.367 1.00 0.00 C ATOM 1507 O MET A 99 -6.814 0.951 -3.717 1.00 0.00 O ATOM 1508 CB MET A 99 -5.768 -1.962 -3.102 1.00 0.00 C ATOM 1509 CG MET A 99 -5.934 -3.214 -2.255 1.00 0.00 C ATOM 1510 SD MET A 99 -7.260 -3.061 -1.043 1.00 0.00 S ATOM 1511 CE MET A 99 -6.793 -1.539 -0.221 1.00 0.00 C ATOM 0 H MET A 99 -6.983 -3.072 -4.984 1.00 0.00 H new ATOM 0 HA MET A 99 -7.793 -1.285 -2.865 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.082 -2.176 -3.922 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.307 -1.182 -2.496 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.138 -4.064 -2.906 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.998 -3.426 -1.739 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.467 -1.355 0.615 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.771 -1.624 0.149 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.856 -0.710 -0.926 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.687 -0.131 -5.686 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.454 1.081 -6.462 1.00 0.00 C ATOM 1523 C ARG A 100 -7.755 1.852 -6.668 1.00 0.00 C ATOM 1524 O ARG A 100 -7.807 3.066 -6.471 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.834 0.733 -7.816 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.553 1.947 -8.687 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.515 1.578 -10.162 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.213 1.052 -10.561 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.793 1.007 -11.821 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -4.570 1.455 -12.798 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.595 0.514 -12.105 1.00 0.00 N ATOM 0 H ARG A 100 -6.713 -0.987 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.762 1.713 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.903 0.191 -7.651 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.504 0.060 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.321 2.702 -8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.601 2.391 -8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.285 0.835 -10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.750 2.457 -10.762 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.592 0.700 -9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.492 1.835 -12.583 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.246 1.420 -13.764 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.995 0.169 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.274 0.480 -13.073 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.803 1.140 -7.067 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.103 1.755 -7.300 1.00 0.00 C ATOM 1547 C LYS A 101 -10.646 2.382 -6.020 1.00 0.00 C ATOM 1548 O LYS A 101 -11.356 3.387 -6.062 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.094 0.718 -7.833 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.618 -0.227 -6.765 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.308 -1.434 -7.377 1.00 0.00 C ATOM 1552 CE LYS A 101 -13.799 -1.192 -7.558 1.00 0.00 C ATOM 1553 NZ LYS A 101 -14.364 -2.012 -8.665 1.00 0.00 N ATOM 0 H LYS A 101 -8.777 0.134 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.976 2.542 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.936 1.235 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.611 0.135 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.793 -0.559 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.317 0.304 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.856 -1.662 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.154 -2.304 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.320 -1.427 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.973 -0.136 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.382 -1.818 -8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.885 -1.770 -9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.221 -3.021 -8.458 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.306 1.783 -4.884 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.760 2.282 -3.591 1.00 0.00 C ATOM 1569 C TYR A 102 -9.946 3.498 -3.160 1.00 0.00 C ATOM 1570 O TYR A 102 -10.501 4.517 -2.746 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.657 1.184 -2.532 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.912 1.674 -1.125 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -11.844 2.673 -0.875 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.220 1.139 -0.045 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.080 3.125 0.410 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.451 1.583 1.242 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.382 2.576 1.465 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.613 3.023 2.745 1.00 0.00 O ATOM 0 H TYR A 102 -9.718 0.951 -4.832 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.803 2.583 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.371 0.395 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.663 0.739 -2.578 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.394 3.104 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.489 0.363 -0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.807 3.904 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.905 1.155 2.070 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.328 2.491 3.153 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.626 3.385 -3.262 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.734 4.474 -2.883 1.00 0.00 C ATOM 1590 C PHE A 103 -8.180 5.788 -3.516 1.00 0.00 C ATOM 1591 O PHE A 103 -8.202 6.829 -2.859 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.298 4.154 -3.303 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.359 5.319 -3.164 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.197 5.953 -1.943 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.640 5.780 -4.255 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.334 7.025 -1.811 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.775 6.850 -4.129 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.623 7.475 -2.907 1.00 0.00 C ATOM 0 H PHE A 103 -8.150 2.550 -3.604 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.773 4.582 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.928 3.325 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.297 3.819 -4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.752 5.606 -1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.757 5.298 -5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.216 7.510 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.218 7.198 -4.986 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.950 8.314 -2.808 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.535 5.731 -4.795 1.00 0.00 N ATOM 1609 CA GLU A 104 -8.980 6.918 -5.518 1.00 0.00 C ATOM 1610 C GLU A 104 -10.359 7.361 -5.038 1.00 0.00 C ATOM 1611 O GLU A 104 -10.499 8.396 -4.386 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.015 6.642 -7.022 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.638 6.574 -7.661 1.00 0.00 C ATOM 1614 CD GLU A 104 -7.147 7.928 -8.135 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -6.719 8.734 -7.283 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.191 8.181 -9.357 1.00 0.00 O ATOM 0 H GLU A 104 -8.524 4.877 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.270 7.721 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.535 5.700 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.596 7.423 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.928 6.166 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.667 5.886 -8.506 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.376 6.571 -5.366 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.744 6.880 -4.970 1.00 0.00 C ATOM 1625 C LYS A 105 -12.793 7.393 -3.534 1.00 0.00 C ATOM 1626 O LYS A 105 -13.625 8.233 -3.192 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.630 5.639 -5.109 1.00 0.00 C ATOM 1628 CG LYS A 105 -13.893 5.238 -6.550 1.00 0.00 C ATOM 1629 CD LYS A 105 -14.676 6.308 -7.292 1.00 0.00 C ATOM 1630 CE LYS A 105 -15.035 5.860 -8.701 1.00 0.00 C ATOM 1631 NZ LYS A 105 -15.720 6.937 -9.468 1.00 0.00 N ATOM 0 H LYS A 105 -11.278 5.711 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.118 7.663 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.158 4.806 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.582 5.825 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.945 5.061 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.447 4.299 -6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.587 6.542 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.087 7.224 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.130 5.559 -9.228 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.681 4.983 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.948 6.592 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.597 7.207 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.094 7.764 -9.539 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.894 6.885 -2.698 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.831 7.293 -1.300 1.00 0.00 C ATOM 1647 C LYS A 106 -11.058 8.600 -1.150 1.00 0.00 C ATOM 1648 O LYS A 106 -11.517 9.530 -0.486 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.173 6.199 -0.457 1.00 0.00 C ATOM 1650 CG LYS A 106 -11.038 6.562 1.012 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.396 6.712 1.677 1.00 0.00 C ATOM 1652 CE LYS A 106 -12.268 7.267 3.087 1.00 0.00 C ATOM 1653 NZ LYS A 106 -11.514 6.345 3.981 1.00 0.00 N ATOM 0 H LYS A 106 -11.198 6.189 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.850 7.451 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.758 5.283 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.184 5.985 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.463 5.792 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.480 7.494 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.023 7.374 1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.895 5.744 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.763 8.233 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.262 7.441 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.088 6.129 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.301 5.464 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.626 6.798 4.277 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.886 8.663 -1.770 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.051 9.857 -1.706 1.00 0.00 C ATOM 1669 C TRP A 107 -9.806 11.078 -2.220 1.00 0.00 C ATOM 1670 O TRP A 107 -9.884 12.104 -1.543 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.771 9.654 -2.518 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.832 10.820 -2.449 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.903 11.974 -3.175 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.679 10.943 -1.608 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.865 12.808 -2.836 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.100 12.198 -1.876 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.082 10.116 -0.653 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -3.953 12.643 -1.225 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.943 10.558 -0.008 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.388 11.813 -0.295 1.00 0.00 C ATOM 0 H TRP A 107 -9.492 7.902 -2.323 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.787 10.029 -0.663 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.258 8.762 -2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.035 9.471 -3.559 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.664 12.198 -3.908 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.692 13.731 -3.234 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.503 9.149 -0.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.524 13.609 -1.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.472 9.926 0.730 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.498 12.131 0.228 1.00 0.00 H new ATOM 1691 N THR A 108 -10.362 10.962 -3.422 1.00 0.00 N ATOM 1692 CA THR A 108 -11.110 12.056 -4.028 1.00 0.00 C ATOM 1693 C THR A 108 -12.240 12.520 -3.116 1.00 0.00 C ATOM 1694 O THR A 108 -12.509 13.716 -3.004 1.00 0.00 O ATOM 1695 CB THR A 108 -11.700 11.647 -5.391 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.259 12.791 -6.046 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.772 10.581 -5.218 1.00 0.00 C ATOM 0 H THR A 108 -10.308 10.120 -3.995 1.00 0.00 H new ATOM 0 HA THR A 108 -10.407 12.875 -4.177 1.00 0.00 H new ATOM 0 HB THR A 108 -10.896 11.236 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.631 12.523 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.174 10.308 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.337 9.700 -4.745 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.574 10.970 -4.591 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.899 11.567 -2.466 1.00 0.00 N ATOM 1706 CA ASP A 109 -14.000 11.878 -1.562 1.00 0.00 C ATOM 1707 C ASP A 109 -13.491 12.590 -0.312 1.00 0.00 C ATOM 1708 O ASP A 109 -14.084 13.568 0.144 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.743 10.601 -1.170 1.00 0.00 C ATOM 1710 CG ASP A 109 -16.183 10.866 -0.778 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.839 11.690 -1.449 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.655 10.251 0.201 1.00 0.00 O ATOM 0 H ASP A 109 -12.690 10.572 -2.548 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.689 12.543 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.720 9.900 -2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.225 10.124 -0.338 1.00 0.00 H new ATOM 1717 N THR A 110 -12.389 12.091 0.240 1.00 0.00 N ATOM 1718 CA THR A 110 -11.802 12.676 1.439 1.00 0.00 C ATOM 1719 C THR A 110 -11.603 14.179 1.276 1.00 0.00 C ATOM 1720 O THR A 110 -12.160 14.975 2.031 1.00 0.00 O ATOM 1721 CB THR A 110 -10.449 12.024 1.778 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.630 10.627 2.036 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.815 12.691 2.989 1.00 0.00 C ATOM 0 H THR A 110 -11.885 11.283 -0.125 1.00 0.00 H new ATOM 0 HA THR A 110 -12.500 12.491 2.255 1.00 0.00 H new ATOM 0 HB THR A 110 -9.784 12.152 0.924 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.936 10.180 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.860 12.213 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.652 13.748 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 110 -10.478 12.590 3.848 1.00 0.00 H new