USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 11 THR OG1 : rot 116:sc= 0.0992 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.193 K(o=0.74,f=-0.21!) USER MOD Set 1.3: A 59 GLN : amide:sc= 0.835 X(o=0.74,f=0.96) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.9 K(o=-1.9,f=-4.9!) USER MOD Single : A 20 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-4.4!) USER MOD Single : A 21 THR OG1 : rot 77:sc= -0.0434 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= -0.055 (180deg=-0.055) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 31 SER OG : rot 180:sc= -0.479 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.24 X(o=-1.2,f=-1) USER MOD Single : A 52 ASN : amide:sc= -0.973 K(o=-0.97,f=-1.6) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -137:sc= -0.0327 (180deg=-0.979) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.06 X(o=-0.06,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.7!) USER MOD Single : A 75 SER OG : rot 96:sc= 1.04 USER MOD Single : A 77 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.42) USER MOD Single : A 81 LYS NZ :NH3+ -120:sc= -0.242 (180deg=-0.971) USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= -0.0449 (180deg=-0.509) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0958 USER MOD ----------------------------------------------------------------- ATOM 129 N MET A 9 1.498 12.546 4.851 1.00 1.00 N ATOM 130 CA MET A 9 1.436 11.125 4.532 1.00 1.00 C ATOM 131 C MET A 9 2.023 10.862 3.149 1.00 1.00 C ATOM 132 O MET A 9 1.902 11.689 2.245 1.00 1.00 O ATOM 133 CB MET A 9 -0.015 10.644 4.573 1.00 1.00 C ATOM 134 CG MET A 9 -0.219 9.725 5.779 1.00 1.00 C ATOM 135 SD MET A 9 0.215 10.614 7.294 1.00 1.00 S ATOM 136 CE MET A 9 -1.397 10.477 8.105 1.00 1.00 C ATOM 0 HA MET A 9 2.020 10.579 5.272 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.690 11.498 4.636 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.258 10.112 3.653 1.00 1.00 H new ATOM 0 HG2 MET A 9 -1.256 9.392 5.824 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.399 8.833 5.678 1.00 1.00 H new ATOM 0 HE1 MET A 9 -1.358 10.968 9.077 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.157 10.955 7.487 1.00 1.00 H new ATOM 0 HE3 MET A 9 -1.648 9.425 8.240 1.00 1.00 H new ATOM 146 N ASP A 10 2.662 9.708 2.992 1.00 1.00 N ATOM 147 CA ASP A 10 3.267 9.349 1.714 1.00 1.00 C ATOM 148 C ASP A 10 3.702 7.886 1.711 1.00 1.00 C ATOM 149 O ASP A 10 4.590 7.495 0.953 1.00 1.00 O ATOM 150 CB ASP A 10 4.481 10.242 1.447 1.00 1.00 C ATOM 151 CG ASP A 10 5.469 10.133 2.603 1.00 1.00 C ATOM 152 OD1 ASP A 10 6.280 9.222 2.580 1.00 1.00 O ATOM 153 OD2 ASP A 10 5.396 10.959 3.498 1.00 1.00 O ATOM 0 H ASP A 10 2.774 9.010 3.727 1.00 1.00 H new ATOM 0 HA ASP A 10 2.524 9.494 0.930 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.963 9.946 0.516 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.162 11.277 1.326 1.00 1.00 H new ATOM 158 N THR A 11 3.073 7.082 2.561 1.00 1.00 N ATOM 159 CA THR A 11 3.405 5.665 2.647 1.00 1.00 C ATOM 160 C THR A 11 2.199 4.866 3.131 1.00 1.00 C ATOM 161 O THR A 11 1.533 5.251 4.093 1.00 1.00 O ATOM 162 CB THR A 11 4.583 5.469 3.608 1.00 1.00 C ATOM 163 OG1 THR A 11 5.801 5.648 2.898 1.00 1.00 O ATOM 164 CG2 THR A 11 4.545 4.060 4.206 1.00 1.00 C ATOM 0 H THR A 11 2.335 7.385 3.197 1.00 1.00 H new ATOM 0 HA THR A 11 3.685 5.307 1.656 1.00 1.00 H new ATOM 0 HB THR A 11 4.513 6.199 4.414 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.275 6.429 3.253 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.386 3.931 4.887 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.612 3.921 4.752 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.610 3.323 3.405 1.00 1.00 H new ATOM 172 N ILE A 12 1.924 3.753 2.457 1.00 1.00 N ATOM 173 CA ILE A 12 0.797 2.904 2.822 1.00 1.00 C ATOM 174 C ILE A 12 1.290 1.626 3.492 1.00 1.00 C ATOM 175 O ILE A 12 2.327 1.081 3.117 1.00 1.00 O ATOM 176 CB ILE A 12 -0.010 2.551 1.570 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.911 1.904 0.532 1.00 1.00 C ATOM 178 CG2 ILE A 12 -0.626 3.823 0.979 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.093 1.491 -0.693 1.00 1.00 C ATOM 0 H ILE A 12 2.464 3.420 1.659 1.00 1.00 H new ATOM 0 HA ILE A 12 0.162 3.446 3.523 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.804 1.854 1.839 1.00 1.00 H new ATOM 0 HG12 ILE A 12 1.694 2.603 0.240 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.405 1.033 0.962 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.200 3.569 0.088 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.284 4.285 1.715 1.00 1.00 H new ATOM 0 HG23 ILE A 12 0.167 4.522 0.713 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.750 1.031 -1.431 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.674 0.777 -0.394 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.381 2.371 -1.128 1.00 1.00 H new ATOM 191 N ILE A 13 0.537 1.158 4.485 1.00 1.00 N ATOM 192 CA ILE A 13 0.901 -0.058 5.209 1.00 1.00 C ATOM 193 C ILE A 13 -0.156 -1.139 5.006 1.00 1.00 C ATOM 194 O ILE A 13 -1.350 -0.848 4.922 1.00 1.00 O ATOM 195 CB ILE A 13 1.064 0.252 6.708 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.157 -0.645 7.308 1.00 1.00 C ATOM 197 CG2 ILE A 13 -0.255 0.003 7.449 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.381 -0.269 8.776 1.00 1.00 C ATOM 0 H ILE A 13 -0.325 1.600 4.806 1.00 1.00 H new ATOM 0 HA ILE A 13 1.849 -0.426 4.817 1.00 1.00 H new ATOM 0 HB ILE A 13 1.345 1.299 6.818 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.865 -1.692 7.231 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.084 -0.530 6.747 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -0.125 0.226 8.508 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -1.032 0.646 7.035 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.547 -1.041 7.331 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.157 -0.906 9.201 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.692 0.774 8.841 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.454 -0.407 9.332 1.00 1.00 H new ATOM 210 N LEU A 14 0.291 -2.387 4.922 1.00 1.00 N ATOM 211 CA LEU A 14 -0.621 -3.507 4.726 1.00 1.00 C ATOM 212 C LEU A 14 -0.871 -4.228 6.048 1.00 1.00 C ATOM 213 O LEU A 14 -0.021 -4.221 6.938 1.00 1.00 O ATOM 214 CB LEU A 14 -0.042 -4.492 3.706 1.00 1.00 C ATOM 215 CG LEU A 14 0.890 -3.758 2.735 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.403 -4.744 1.682 1.00 1.00 C ATOM 217 CD2 LEU A 14 0.124 -2.630 2.040 1.00 1.00 C ATOM 0 H LEU A 14 1.275 -2.648 4.986 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.566 -3.116 4.349 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.506 -5.281 4.221 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.850 -4.973 3.154 1.00 1.00 H new ATOM 0 HG LEU A 14 1.731 -3.339 3.288 1.00 1.00 H new ATOM 0 HD11 LEU A 14 2.066 -4.225 0.990 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.949 -5.549 2.173 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.559 -5.161 1.132 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.789 -2.110 1.350 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -0.717 -3.048 1.487 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.246 -1.927 2.787 1.00 1.00 H new ATOM 229 N ARG A 15 -2.046 -4.843 6.169 1.00 1.00 N ATOM 230 CA ARG A 15 -2.404 -5.559 7.388 1.00 1.00 C ATOM 231 C ARG A 15 -2.997 -6.923 7.049 1.00 1.00 C ATOM 232 O ARG A 15 -3.621 -7.092 6.002 1.00 1.00 O ATOM 233 CB ARG A 15 -3.410 -4.722 8.191 1.00 1.00 C ATOM 234 CG ARG A 15 -4.303 -5.625 9.050 1.00 1.00 C ATOM 235 CD ARG A 15 -5.006 -4.775 10.114 1.00 1.00 C ATOM 236 NE ARG A 15 -4.224 -4.772 11.345 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.592 -4.047 12.396 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.674 -3.320 12.339 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.870 -4.060 13.483 1.00 1.00 N ATOM 0 H ARG A 15 -2.761 -4.859 5.442 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.508 -5.718 7.988 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.877 -4.017 8.829 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.026 -4.134 7.511 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -5.040 -6.128 8.424 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.704 -6.402 9.525 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -5.133 -3.755 9.751 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -6.003 -5.171 10.307 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.377 -5.338 11.400 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -6.237 -3.309 11.488 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.957 -2.763 13.145 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -3.023 -4.627 13.526 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -4.153 -3.503 14.290 1.00 1.00 H new ATOM 253 N ASN A 16 -2.787 -7.888 7.944 1.00 1.00 N ATOM 254 CA ASN A 16 -3.296 -9.245 7.755 1.00 1.00 C ATOM 255 C ASN A 16 -2.620 -9.922 6.568 1.00 1.00 C ATOM 256 O ASN A 16 -3.281 -10.321 5.610 1.00 1.00 O ATOM 257 CB ASN A 16 -4.811 -9.219 7.543 1.00 1.00 C ATOM 258 CG ASN A 16 -5.372 -10.632 7.620 1.00 1.00 C ATOM 259 OD1 ASN A 16 -4.744 -11.523 8.193 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.530 -10.893 7.077 1.00 1.00 N ATOM 0 H ASN A 16 -2.266 -7.754 8.810 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.069 -9.817 8.654 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.282 -8.590 8.299 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.043 -8.779 6.573 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.916 -11.836 7.127 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -7.049 -10.154 6.603 1.00 1.00 H new ATOM 267 N ILE A 17 -1.299 -10.052 6.643 1.00 1.00 N ATOM 268 CA ILE A 17 -0.540 -10.685 5.571 1.00 1.00 C ATOM 269 C ILE A 17 -0.157 -12.110 5.955 1.00 1.00 C ATOM 270 O ILE A 17 0.531 -12.330 6.953 1.00 1.00 O ATOM 271 CB ILE A 17 0.730 -9.881 5.286 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.386 -8.392 5.161 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.373 -10.375 3.989 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.757 -8.202 4.159 1.00 1.00 C ATOM 0 H ILE A 17 -0.735 -9.730 7.430 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.165 -10.713 4.678 1.00 1.00 H new ATOM 0 HB ILE A 17 1.432 -10.017 6.109 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.098 -7.994 6.134 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.263 -7.833 4.835 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.277 -9.800 3.789 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.628 -11.430 4.088 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.672 -10.247 3.164 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.995 -7.142 4.076 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.453 -8.583 3.184 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.637 -8.746 4.503 1.00 1.00 H new ATOM 286 N ALA A 18 -0.604 -13.075 5.158 1.00 1.00 N ATOM 287 CA ALA A 18 -0.296 -14.475 5.429 1.00 1.00 C ATOM 288 C ALA A 18 1.213 -14.712 5.353 1.00 1.00 C ATOM 289 O ALA A 18 1.941 -13.920 4.755 1.00 1.00 O ATOM 290 CB ALA A 18 -1.007 -15.373 4.415 1.00 1.00 C ATOM 0 H ALA A 18 -1.175 -12.917 4.328 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.643 -14.718 6.433 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.771 -16.416 4.625 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.084 -15.222 4.488 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.673 -15.121 3.409 1.00 1.00 H new ATOM 296 N PRO A 19 1.693 -15.780 5.942 1.00 1.00 N ATOM 297 CA PRO A 19 3.149 -16.117 5.934 1.00 1.00 C ATOM 298 C PRO A 19 3.619 -16.621 4.570 1.00 1.00 C ATOM 299 O PRO A 19 4.779 -17.000 4.407 1.00 1.00 O ATOM 300 CB PRO A 19 3.266 -17.221 6.986 1.00 1.00 C ATOM 301 CG PRO A 19 1.925 -17.873 7.017 1.00 1.00 C ATOM 302 CD PRO A 19 0.907 -16.785 6.680 1.00 1.00 C ATOM 0 HA PRO A 19 3.771 -15.247 6.144 1.00 1.00 H new ATOM 0 HB2 PRO A 19 4.046 -17.936 6.722 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.527 -16.810 7.961 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.874 -18.689 6.296 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.724 -18.302 7.999 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.090 -17.176 6.074 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.462 -16.362 7.580 1.00 1.00 H new ATOM 310 N HIS A 20 2.710 -16.629 3.600 1.00 1.00 N ATOM 311 CA HIS A 20 3.038 -17.097 2.255 1.00 1.00 C ATOM 312 C HIS A 20 3.122 -15.930 1.275 1.00 1.00 C ATOM 313 O HIS A 20 3.126 -16.126 0.060 1.00 1.00 O ATOM 314 CB HIS A 20 1.970 -18.083 1.782 1.00 1.00 C ATOM 315 CG HIS A 20 2.350 -18.633 0.433 1.00 1.00 C ATOM 316 ND1 HIS A 20 3.623 -18.490 -0.094 1.00 1.00 N ATOM 317 CD2 HIS A 20 1.630 -19.329 -0.507 1.00 1.00 C ATOM 318 CE1 HIS A 20 3.632 -19.087 -1.301 1.00 1.00 C ATOM 319 NE2 HIS A 20 2.442 -19.613 -1.601 1.00 1.00 N ATOM 0 H HIS A 20 1.745 -16.319 3.717 1.00 1.00 H new ATOM 0 HA HIS A 20 4.010 -17.589 2.290 1.00 1.00 H new ATOM 0 HB2 HIS A 20 1.867 -18.896 2.501 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.002 -17.585 1.723 1.00 1.00 H new ATOM 0 HD2 HIS A 20 0.592 -19.613 -0.412 1.00 1.00 H new ATOM 0 HE1 HIS A 20 4.496 -19.135 -1.947 1.00 1.00 H new ATOM 0 HE2 HIS A 20 2.183 -20.115 -2.450 1.00 1.00 H new ATOM 327 N THR A 21 3.187 -14.717 1.809 1.00 1.00 N ATOM 328 CA THR A 21 3.271 -13.526 0.969 1.00 1.00 C ATOM 329 C THR A 21 4.722 -13.212 0.627 1.00 1.00 C ATOM 330 O THR A 21 5.608 -13.322 1.475 1.00 1.00 O ATOM 331 CB THR A 21 2.640 -12.334 1.691 1.00 1.00 C ATOM 332 OG1 THR A 21 1.381 -12.719 2.225 1.00 1.00 O ATOM 333 CG2 THR A 21 2.447 -11.181 0.704 1.00 1.00 C ATOM 0 H THR A 21 3.183 -14.531 2.812 1.00 1.00 H new ATOM 0 HA THR A 21 2.728 -13.717 0.043 1.00 1.00 H new ATOM 0 HB THR A 21 3.295 -12.010 2.500 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.519 -13.253 3.035 1.00 1.00 H new ATOM 0 HG21 THR A 21 1.997 -10.332 1.219 1.00 1.00 H new ATOM 0 HG22 THR A 21 3.413 -10.887 0.295 1.00 1.00 H new ATOM 0 HG23 THR A 21 1.792 -11.502 -0.106 1.00 1.00 H new ATOM 341 N VAL A 22 4.960 -12.820 -0.622 1.00 1.00 N ATOM 342 CA VAL A 22 6.310 -12.491 -1.068 1.00 1.00 C ATOM 343 C VAL A 22 6.303 -11.200 -1.881 1.00 1.00 C ATOM 344 O VAL A 22 5.308 -10.862 -2.521 1.00 1.00 O ATOM 345 CB VAL A 22 6.870 -13.630 -1.920 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.844 -14.461 -1.084 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.720 -14.521 -2.397 1.00 1.00 C ATOM 0 H VAL A 22 4.241 -12.723 -1.339 1.00 1.00 H new ATOM 0 HA VAL A 22 6.941 -12.352 -0.190 1.00 1.00 H new ATOM 0 HB VAL A 22 7.393 -13.216 -2.782 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.243 -15.273 -1.691 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.662 -13.827 -0.742 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.322 -14.876 -0.222 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.117 -15.334 -3.005 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.198 -14.935 -1.534 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.024 -13.930 -2.992 1.00 1.00 H new ATOM 357 N VAL A 23 7.422 -10.483 -1.851 1.00 1.00 N ATOM 358 CA VAL A 23 7.535 -9.230 -2.590 1.00 1.00 C ATOM 359 C VAL A 23 7.300 -9.464 -4.079 1.00 1.00 C ATOM 360 O VAL A 23 6.913 -8.550 -4.807 1.00 1.00 O ATOM 361 CB VAL A 23 8.923 -8.622 -2.379 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.202 -7.592 -3.475 1.00 1.00 C ATOM 363 CG2 VAL A 23 8.974 -7.936 -1.011 1.00 1.00 C ATOM 0 H VAL A 23 8.257 -10.745 -1.328 1.00 1.00 H new ATOM 0 HA VAL A 23 6.777 -8.541 -2.218 1.00 1.00 H new ATOM 0 HB VAL A 23 9.675 -9.410 -2.421 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.191 -7.159 -3.324 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.164 -8.078 -4.450 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.451 -6.804 -3.433 1.00 1.00 H new ATOM 0 HG21 VAL A 23 9.962 -7.502 -0.858 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.222 -7.148 -0.971 1.00 1.00 H new ATOM 0 HG23 VAL A 23 8.775 -8.669 -0.229 1.00 1.00 H new ATOM 373 N ASP A 24 7.536 -10.693 -4.524 1.00 1.00 N ATOM 374 CA ASP A 24 7.347 -11.037 -5.929 1.00 1.00 C ATOM 375 C ASP A 24 5.880 -10.896 -6.322 1.00 1.00 C ATOM 376 O ASP A 24 5.560 -10.334 -7.370 1.00 1.00 O ATOM 377 CB ASP A 24 7.811 -12.473 -6.181 1.00 1.00 C ATOM 378 CG ASP A 24 8.740 -12.518 -7.389 1.00 1.00 C ATOM 379 OD1 ASP A 24 9.652 -11.709 -7.440 1.00 1.00 O ATOM 380 OD2 ASP A 24 8.528 -13.362 -8.243 1.00 1.00 O ATOM 0 H ASP A 24 7.856 -11.463 -3.937 1.00 1.00 H new ATOM 0 HA ASP A 24 7.940 -10.353 -6.535 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.327 -12.857 -5.301 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.949 -13.118 -6.351 1.00 1.00 H new ATOM 385 N SER A 25 4.994 -11.410 -5.477 1.00 1.00 N ATOM 386 CA SER A 25 3.562 -11.336 -5.747 1.00 1.00 C ATOM 387 C SER A 25 3.057 -9.908 -5.570 1.00 1.00 C ATOM 388 O SER A 25 2.261 -9.417 -6.372 1.00 1.00 O ATOM 389 CB SER A 25 2.804 -12.268 -4.803 1.00 1.00 C ATOM 390 OG SER A 25 2.838 -13.592 -5.322 1.00 1.00 O ATOM 0 H SER A 25 5.239 -11.879 -4.605 1.00 1.00 H new ATOM 0 HA SER A 25 3.389 -11.645 -6.778 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.253 -12.243 -3.810 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.772 -11.934 -4.695 1.00 1.00 H new ATOM 0 HG SER A 25 2.354 -14.193 -4.718 1.00 1.00 H new ATOM 396 N ILE A 26 3.524 -9.246 -4.515 1.00 1.00 N ATOM 397 CA ILE A 26 3.112 -7.874 -4.245 1.00 1.00 C ATOM 398 C ILE A 26 3.500 -6.961 -5.403 1.00 1.00 C ATOM 399 O ILE A 26 2.896 -5.908 -5.606 1.00 1.00 O ATOM 400 CB ILE A 26 3.770 -7.375 -2.958 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.255 -8.197 -1.766 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.443 -5.893 -2.753 1.00 1.00 C ATOM 403 CD1 ILE A 26 1.991 -7.555 -1.182 1.00 1.00 C ATOM 0 H ILE A 26 4.182 -9.634 -3.839 1.00 1.00 H new ATOM 0 HA ILE A 26 2.028 -7.856 -4.130 1.00 1.00 H new ATOM 0 HB ILE A 26 4.851 -7.493 -3.033 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.039 -9.217 -2.085 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.027 -8.260 -0.999 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.913 -5.540 -1.835 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.820 -5.317 -3.598 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.363 -5.765 -2.680 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.638 -8.148 -0.339 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.219 -6.544 -0.844 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.216 -7.516 -1.947 1.00 1.00 H new ATOM 415 N MET A 27 4.511 -7.372 -6.160 1.00 1.00 N ATOM 416 CA MET A 27 4.974 -6.584 -7.297 1.00 1.00 C ATOM 417 C MET A 27 3.996 -6.695 -8.463 1.00 1.00 C ATOM 418 O MET A 27 3.471 -5.690 -8.942 1.00 1.00 O ATOM 419 CB MET A 27 6.354 -7.072 -7.743 1.00 1.00 C ATOM 420 CG MET A 27 7.433 -6.448 -6.853 1.00 1.00 C ATOM 421 SD MET A 27 8.076 -4.952 -7.645 1.00 1.00 S ATOM 422 CE MET A 27 9.798 -5.143 -7.124 1.00 1.00 C ATOM 0 H MET A 27 5.023 -8.241 -6.009 1.00 1.00 H new ATOM 0 HA MET A 27 5.037 -5.541 -6.988 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.403 -8.159 -7.683 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.527 -6.802 -8.785 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.017 -6.205 -5.875 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.241 -7.161 -6.688 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.389 -4.312 -7.509 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.850 -5.151 -6.035 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.194 -6.081 -7.513 1.00 1.00 H new ATOM 432 N THR A 28 3.759 -7.922 -8.913 1.00 1.00 N ATOM 433 CA THR A 28 2.847 -8.155 -10.026 1.00 1.00 C ATOM 434 C THR A 28 1.406 -7.862 -9.619 1.00 1.00 C ATOM 435 O THR A 28 0.559 -7.570 -10.464 1.00 1.00 O ATOM 436 CB THR A 28 2.958 -9.608 -10.493 1.00 1.00 C ATOM 437 OG1 THR A 28 4.308 -10.038 -10.379 1.00 1.00 O ATOM 438 CG2 THR A 28 2.509 -9.714 -11.952 1.00 1.00 C ATOM 0 H THR A 28 4.183 -8.766 -8.527 1.00 1.00 H new ATOM 0 HA THR A 28 3.123 -7.484 -10.840 1.00 1.00 H new ATOM 0 HB THR A 28 2.321 -10.239 -9.873 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.381 -10.969 -10.676 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.589 -10.749 -12.283 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.474 -9.384 -12.039 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.144 -9.084 -12.575 1.00 1.00 H new ATOM 446 N ALA A 29 1.131 -7.949 -8.321 1.00 1.00 N ATOM 447 CA ALA A 29 -0.216 -7.699 -7.817 1.00 1.00 C ATOM 448 C ALA A 29 -0.547 -6.209 -7.844 1.00 1.00 C ATOM 449 O ALA A 29 -1.693 -5.824 -8.073 1.00 1.00 O ATOM 450 CB ALA A 29 -0.341 -8.223 -6.385 1.00 1.00 C ATOM 0 H ALA A 29 1.816 -8.189 -7.604 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.921 -8.221 -8.464 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.349 -8.033 -6.015 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.145 -9.295 -6.372 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.382 -7.714 -5.747 1.00 1.00 H new ATOM 456 N LEU A 30 0.460 -5.375 -7.599 1.00 1.00 N ATOM 457 CA LEU A 30 0.257 -3.929 -7.589 1.00 1.00 C ATOM 458 C LEU A 30 0.742 -3.298 -8.893 1.00 1.00 C ATOM 459 O LEU A 30 0.790 -2.074 -9.020 1.00 1.00 O ATOM 460 CB LEU A 30 1.007 -3.305 -6.409 1.00 1.00 C ATOM 461 CG LEU A 30 0.272 -3.620 -5.098 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.146 -3.202 -3.915 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.062 -2.861 -5.034 1.00 1.00 C ATOM 0 H LEU A 30 1.417 -5.672 -7.406 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.811 -3.737 -7.488 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.025 -3.693 -6.368 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.082 -2.226 -6.544 1.00 1.00 H new ATOM 0 HG LEU A 30 0.072 -4.691 -5.056 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.627 -3.424 -2.983 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.087 -3.751 -3.946 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.348 -2.132 -3.972 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.570 -3.096 -4.098 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.873 -1.789 -5.085 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.691 -3.159 -5.873 1.00 1.00 H new ATOM 475 N SER A 31 1.109 -4.138 -9.856 1.00 1.00 N ATOM 476 CA SER A 31 1.598 -3.648 -11.142 1.00 1.00 C ATOM 477 C SER A 31 0.538 -2.815 -11.869 1.00 1.00 C ATOM 478 O SER A 31 0.809 -1.680 -12.262 1.00 1.00 O ATOM 479 CB SER A 31 2.029 -4.821 -12.024 1.00 1.00 C ATOM 480 OG SER A 31 1.405 -4.708 -13.295 1.00 1.00 O ATOM 0 H SER A 31 1.078 -5.154 -9.772 1.00 1.00 H new ATOM 0 HA SER A 31 2.456 -3.005 -10.945 1.00 1.00 H new ATOM 0 HB2 SER A 31 3.113 -4.826 -12.138 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.753 -5.765 -11.554 1.00 1.00 H new ATOM 0 HG SER A 31 1.681 -5.458 -13.863 1.00 1.00 H new ATOM 486 N PRO A 32 -0.647 -3.344 -12.066 1.00 1.00 N ATOM 487 CA PRO A 32 -1.734 -2.607 -12.773 1.00 1.00 C ATOM 488 C PRO A 32 -2.386 -1.553 -11.887 1.00 1.00 C ATOM 489 O PRO A 32 -3.245 -0.795 -12.335 1.00 1.00 O ATOM 490 CB PRO A 32 -2.730 -3.704 -13.142 1.00 1.00 C ATOM 491 CG PRO A 32 -2.543 -4.772 -12.116 1.00 1.00 C ATOM 492 CD PRO A 32 -1.088 -4.686 -11.643 1.00 1.00 C ATOM 0 HA PRO A 32 -1.361 -2.055 -13.636 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.752 -3.326 -13.133 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.540 -4.086 -14.145 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.229 -4.630 -11.281 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.754 -5.754 -12.538 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.013 -4.807 -10.562 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.476 -5.467 -12.095 1.00 1.00 H new ATOM 500 N TYR A 33 -1.971 -1.514 -10.627 1.00 1.00 N ATOM 501 CA TYR A 33 -2.522 -0.549 -9.682 1.00 1.00 C ATOM 502 C TYR A 33 -1.583 0.642 -9.513 1.00 1.00 C ATOM 503 O TYR A 33 -2.021 1.746 -9.188 1.00 1.00 O ATOM 504 CB TYR A 33 -2.751 -1.219 -8.328 1.00 1.00 C ATOM 505 CG TYR A 33 -3.857 -2.238 -8.455 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.562 -3.554 -8.833 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.183 -1.866 -8.197 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.590 -4.496 -8.951 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.211 -2.808 -8.315 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.914 -4.123 -8.691 1.00 1.00 C ATOM 511 OH TYR A 33 -6.927 -5.054 -8.808 1.00 1.00 O ATOM 0 H TYR A 33 -1.261 -2.134 -10.237 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.473 -0.189 -10.075 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.834 -1.701 -7.989 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.014 -0.472 -7.580 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.541 -3.842 -9.034 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.412 -0.851 -7.907 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.362 -5.511 -9.243 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.233 -2.521 -8.116 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.785 -4.633 -8.592 1.00 1.00 H new ATOM 521 N ALA A 34 -0.292 0.414 -9.736 1.00 1.00 N ATOM 522 CA ALA A 34 0.693 1.481 -9.603 1.00 1.00 C ATOM 523 C ALA A 34 2.105 0.931 -9.764 1.00 1.00 C ATOM 524 O ALA A 34 2.294 -0.266 -9.980 1.00 1.00 O ATOM 525 CB ALA A 34 0.556 2.150 -8.234 1.00 1.00 C ATOM 0 H ALA A 34 0.093 -0.491 -10.007 1.00 1.00 H new ATOM 0 HA ALA A 34 0.512 2.217 -10.387 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.295 2.946 -8.142 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.445 2.571 -8.133 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.720 1.411 -7.450 1.00 1.00 H new ATOM 531 N SER A 35 3.094 1.816 -9.656 1.00 1.00 N ATOM 532 CA SER A 35 4.491 1.419 -9.790 1.00 1.00 C ATOM 533 C SER A 35 5.220 1.579 -8.462 1.00 1.00 C ATOM 534 O SER A 35 5.165 2.640 -7.838 1.00 1.00 O ATOM 535 CB SER A 35 5.178 2.274 -10.856 1.00 1.00 C ATOM 536 OG SER A 35 6.244 1.536 -11.435 1.00 1.00 O ATOM 0 H SER A 35 2.953 2.810 -9.476 1.00 1.00 H new ATOM 0 HA SER A 35 4.525 0.371 -10.088 1.00 1.00 H new ATOM 0 HB2 SER A 35 4.461 2.563 -11.625 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.557 3.194 -10.412 1.00 1.00 H new ATOM 0 HG SER A 35 6.685 2.081 -12.120 1.00 1.00 H new ATOM 542 N LEU A 36 5.903 0.519 -8.035 1.00 1.00 N ATOM 543 CA LEU A 36 6.645 0.549 -6.779 1.00 1.00 C ATOM 544 C LEU A 36 8.144 0.503 -7.048 1.00 1.00 C ATOM 545 O LEU A 36 8.579 0.519 -8.200 1.00 1.00 O ATOM 546 CB LEU A 36 6.245 -0.640 -5.898 1.00 1.00 C ATOM 547 CG LEU A 36 5.472 -1.673 -6.726 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.384 -2.983 -5.944 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.055 -1.161 -7.007 1.00 1.00 C ATOM 0 H LEU A 36 5.957 -0.367 -8.538 1.00 1.00 H new ATOM 0 HA LEU A 36 6.404 1.477 -6.260 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.135 -1.100 -5.468 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.630 -0.296 -5.066 1.00 1.00 H new ATOM 0 HG LEU A 36 5.992 -1.837 -7.670 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.835 -3.720 -6.530 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.389 -3.355 -5.743 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.866 -2.810 -5.001 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.511 -1.900 -7.596 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.535 -0.994 -6.064 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.110 -0.224 -7.562 1.00 1.00 H new ATOM 561 N ALA A 37 8.932 0.445 -5.980 1.00 1.00 N ATOM 562 CA ALA A 37 10.382 0.398 -6.117 1.00 1.00 C ATOM 563 C ALA A 37 10.993 -0.479 -5.026 1.00 1.00 C ATOM 564 O ALA A 37 10.687 -0.321 -3.844 1.00 1.00 O ATOM 565 CB ALA A 37 10.960 1.815 -6.039 1.00 1.00 C ATOM 0 H ALA A 37 8.594 0.430 -5.018 1.00 1.00 H new ATOM 0 HA ALA A 37 10.628 -0.034 -7.087 1.00 1.00 H new ATOM 0 HB1 ALA A 37 12.044 1.772 -6.142 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.543 2.423 -6.842 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.704 2.260 -5.077 1.00 1.00 H new ATOM 571 N VAL A 38 11.847 -1.413 -5.436 1.00 1.00 N ATOM 572 CA VAL A 38 12.490 -2.325 -4.496 1.00 1.00 C ATOM 573 C VAL A 38 13.086 -1.574 -3.305 1.00 1.00 C ATOM 574 O VAL A 38 13.021 -2.045 -2.170 1.00 1.00 O ATOM 575 CB VAL A 38 13.595 -3.104 -5.208 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.307 -4.014 -4.206 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.980 -3.958 -6.321 1.00 1.00 C ATOM 0 H VAL A 38 12.109 -1.558 -6.411 1.00 1.00 H new ATOM 0 HA VAL A 38 11.730 -3.011 -4.121 1.00 1.00 H new ATOM 0 HB VAL A 38 14.312 -2.405 -5.637 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.095 -4.569 -4.715 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.744 -3.409 -3.412 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.590 -4.713 -3.776 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.767 -4.514 -6.830 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.263 -4.656 -5.890 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.472 -3.312 -7.037 1.00 1.00 H new ATOM 587 N ASN A 39 13.682 -0.416 -3.572 1.00 1.00 N ATOM 588 CA ASN A 39 14.305 0.377 -2.515 1.00 1.00 C ATOM 589 C ASN A 39 13.277 1.224 -1.765 1.00 1.00 C ATOM 590 O ASN A 39 13.632 1.986 -0.865 1.00 1.00 O ATOM 591 CB ASN A 39 15.374 1.290 -3.116 1.00 1.00 C ATOM 592 CG ASN A 39 15.972 2.181 -2.034 1.00 1.00 C ATOM 593 OD1 ASN A 39 16.832 1.741 -1.270 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.568 3.418 -1.922 1.00 1.00 N ATOM 0 H ASN A 39 13.747 -0.007 -4.504 1.00 1.00 H new ATOM 0 HA ASN A 39 14.759 -0.314 -1.804 1.00 1.00 H new ATOM 0 HB2 ASN A 39 16.158 0.690 -3.578 1.00 1.00 H new ATOM 0 HB3 ASN A 39 14.937 1.904 -3.903 1.00 1.00 H new ATOM 0 HD21 ASN A 39 15.965 4.021 -1.201 1.00 1.00 H new ATOM 0 HD22 ASN A 39 14.856 3.781 -2.555 1.00 1.00 H new ATOM 601 N ASN A 40 12.005 1.091 -2.140 1.00 1.00 N ATOM 602 CA ASN A 40 10.938 1.859 -1.494 1.00 1.00 C ATOM 603 C ASN A 40 9.968 0.936 -0.757 1.00 1.00 C ATOM 604 O ASN A 40 8.993 1.404 -0.168 1.00 1.00 O ATOM 605 CB ASN A 40 10.167 2.667 -2.545 1.00 1.00 C ATOM 606 CG ASN A 40 9.927 4.103 -2.084 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.082 4.426 -0.906 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.543 4.989 -2.960 1.00 1.00 N ATOM 0 H ASN A 40 11.689 0.465 -2.881 1.00 1.00 H new ATOM 0 HA ASN A 40 11.397 2.534 -0.771 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.725 2.673 -3.481 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.211 2.184 -2.747 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.370 5.952 -2.670 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.415 4.720 -3.935 1.00 1.00 H new ATOM 615 N ILE A 41 10.236 -0.370 -0.789 1.00 1.00 N ATOM 616 CA ILE A 41 9.375 -1.334 -0.119 1.00 1.00 C ATOM 617 C ILE A 41 10.192 -2.232 0.804 1.00 1.00 C ATOM 618 O ILE A 41 11.259 -2.721 0.429 1.00 1.00 O ATOM 619 CB ILE A 41 8.638 -2.184 -1.155 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.630 -3.079 -1.903 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.933 -1.268 -2.156 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.918 -3.757 -3.076 1.00 1.00 C ATOM 0 H ILE A 41 11.038 -0.779 -1.269 1.00 1.00 H new ATOM 0 HA ILE A 41 8.647 -0.789 0.482 1.00 1.00 H new ATOM 0 HB ILE A 41 7.905 -2.809 -0.645 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.469 -2.486 -2.266 1.00 1.00 H new ATOM 0 HG13 ILE A 41 10.039 -3.831 -1.228 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.407 -1.873 -2.895 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.218 -0.636 -1.630 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.670 -0.642 -2.658 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.623 -4.395 -3.610 1.00 1.00 H new ATOM 0 HD12 ILE A 41 8.093 -4.363 -2.700 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.530 -2.997 -3.755 1.00 1.00 H new ATOM 634 N ARG A 42 9.683 -2.440 2.014 1.00 1.00 N ATOM 635 CA ARG A 42 10.369 -3.277 2.992 1.00 1.00 C ATOM 636 C ARG A 42 9.400 -4.275 3.619 1.00 1.00 C ATOM 637 O ARG A 42 8.271 -3.926 3.967 1.00 1.00 O ATOM 638 CB ARG A 42 10.983 -2.404 4.087 1.00 1.00 C ATOM 639 CG ARG A 42 12.076 -3.190 4.816 1.00 1.00 C ATOM 640 CD ARG A 42 12.694 -2.314 5.906 1.00 1.00 C ATOM 641 NE ARG A 42 13.732 -1.461 5.342 1.00 1.00 N ATOM 642 CZ ARG A 42 14.933 -1.946 5.040 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.197 -3.206 5.248 1.00 1.00 N ATOM 644 NH2 ARG A 42 15.846 -1.160 4.537 1.00 1.00 N ATOM 0 H ARG A 42 8.802 -2.043 2.340 1.00 1.00 H new ATOM 0 HA ARG A 42 11.158 -3.827 2.480 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.402 -1.497 3.651 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.213 -2.092 4.792 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.656 -4.094 5.256 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.844 -3.506 4.110 1.00 1.00 H new ATOM 0 HD2 ARG A 42 11.922 -1.700 6.370 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.116 -2.942 6.691 1.00 1.00 H new ATOM 0 HE ARG A 42 13.534 -0.474 5.176 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.483 -3.818 5.642 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.118 -3.579 5.017 1.00 1.00 H new ATOM 0 HH21 ARG A 42 15.638 -0.175 4.376 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.767 -1.531 4.305 1.00 1.00 H new ATOM 658 N LEU A 43 9.853 -5.516 3.760 1.00 1.00 N ATOM 659 CA LEU A 43 9.026 -6.567 4.348 1.00 1.00 C ATOM 660 C LEU A 43 9.547 -6.930 5.733 1.00 1.00 C ATOM 661 O LEU A 43 10.625 -7.507 5.872 1.00 1.00 O ATOM 662 CB LEU A 43 9.056 -7.808 3.449 1.00 1.00 C ATOM 663 CG LEU A 43 7.734 -7.944 2.686 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.603 -8.268 3.661 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.416 -6.635 1.965 1.00 1.00 C ATOM 0 H LEU A 43 10.785 -5.820 3.477 1.00 1.00 H new ATOM 0 HA LEU A 43 8.002 -6.204 4.436 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.885 -7.735 2.744 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.229 -8.699 4.053 1.00 1.00 H new ATOM 0 HG LEU A 43 7.828 -8.749 1.957 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.666 -8.363 3.112 1.00 1.00 H new ATOM 0 HD12 LEU A 43 6.821 -9.205 4.173 1.00 1.00 H new ATOM 0 HD13 LEU A 43 6.514 -7.467 4.394 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.475 -6.737 1.424 1.00 1.00 H new ATOM 0 HD22 LEU A 43 7.330 -5.830 2.694 1.00 1.00 H new ATOM 0 HD23 LEU A 43 8.216 -6.403 1.262 1.00 1.00 H new ATOM 677 N ILE A 44 8.774 -6.584 6.755 1.00 1.00 N ATOM 678 CA ILE A 44 9.166 -6.875 8.129 1.00 1.00 C ATOM 679 C ILE A 44 9.024 -8.365 8.426 1.00 1.00 C ATOM 680 O ILE A 44 7.933 -8.843 8.740 1.00 1.00 O ATOM 681 CB ILE A 44 8.302 -6.072 9.103 1.00 1.00 C ATOM 682 CG1 ILE A 44 8.639 -6.482 10.538 1.00 1.00 C ATOM 683 CG2 ILE A 44 6.823 -6.349 8.828 1.00 1.00 C ATOM 684 CD1 ILE A 44 8.582 -5.253 11.448 1.00 1.00 C ATOM 0 H ILE A 44 7.878 -6.105 6.660 1.00 1.00 H new ATOM 0 HA ILE A 44 10.211 -6.591 8.254 1.00 1.00 H new ATOM 0 HB ILE A 44 8.501 -5.008 8.970 1.00 1.00 H new ATOM 0 HG12 ILE A 44 7.935 -7.238 10.886 1.00 1.00 H new ATOM 0 HG13 ILE A 44 9.632 -6.930 10.576 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.210 -5.776 9.523 1.00 1.00 H new ATOM 0 HG22 ILE A 44 6.582 -6.057 7.806 1.00 1.00 H new ATOM 0 HG23 ILE A 44 6.622 -7.412 8.958 1.00 1.00 H new ATOM 0 HD11 ILE A 44 8.822 -5.546 12.470 1.00 1.00 H new ATOM 0 HD12 ILE A 44 9.303 -4.512 11.104 1.00 1.00 H new ATOM 0 HD13 ILE A 44 7.580 -4.825 11.419 1.00 1.00 H new ATOM 817 N ASN A 52 7.158 -12.170 6.207 1.00 1.00 N ATOM 818 CA ASN A 52 6.353 -11.137 6.853 1.00 1.00 C ATOM 819 C ASN A 52 5.778 -11.629 8.179 1.00 1.00 C ATOM 820 O ASN A 52 5.348 -12.777 8.293 1.00 1.00 O ATOM 821 CB ASN A 52 5.204 -10.736 5.927 1.00 1.00 C ATOM 822 CG ASN A 52 5.093 -11.740 4.786 1.00 1.00 C ATOM 823 OD1 ASN A 52 5.258 -11.383 3.620 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.823 -12.988 5.057 1.00 1.00 N ATOM 0 HA ASN A 52 6.997 -10.280 7.053 1.00 1.00 H new ATOM 0 HB2 ASN A 52 4.269 -10.700 6.486 1.00 1.00 H new ATOM 0 HB3 ASN A 52 5.376 -9.736 5.529 1.00 1.00 H new ATOM 0 HD21 ASN A 52 4.748 -13.669 4.302 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.687 -13.282 6.024 1.00 1.00 H new ATOM 831 N ARG A 53 5.763 -10.746 9.175 1.00 1.00 N ATOM 832 CA ARG A 53 5.226 -11.095 10.484 1.00 1.00 C ATOM 833 C ARG A 53 3.793 -10.589 10.611 1.00 1.00 C ATOM 834 O ARG A 53 3.417 -9.996 11.623 1.00 1.00 O ATOM 835 CB ARG A 53 6.089 -10.483 11.589 1.00 1.00 C ATOM 836 CG ARG A 53 7.424 -11.225 11.660 1.00 1.00 C ATOM 837 CD ARG A 53 7.343 -12.340 12.708 1.00 1.00 C ATOM 838 NE ARG A 53 6.002 -12.910 12.748 1.00 1.00 N ATOM 839 CZ ARG A 53 5.786 -14.120 13.255 1.00 1.00 C ATOM 840 NH1 ARG A 53 6.784 -14.823 13.714 1.00 1.00 N ATOM 841 NH2 ARG A 53 4.574 -14.604 13.293 1.00 1.00 N ATOM 0 H ARG A 53 6.114 -9.791 9.100 1.00 1.00 H new ATOM 0 HA ARG A 53 5.234 -12.180 10.588 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.259 -9.425 11.389 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.573 -10.548 12.547 1.00 1.00 H new ATOM 0 HG2 ARG A 53 7.668 -11.647 10.685 1.00 1.00 H new ATOM 0 HG3 ARG A 53 8.224 -10.530 11.916 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.068 -13.119 12.475 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.605 -11.944 13.689 1.00 1.00 H new ATOM 0 HE ARG A 53 5.217 -12.372 12.381 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.731 -14.445 13.684 1.00 1.00 H new ATOM 0 HH12 ARG A 53 6.618 -15.751 14.103 1.00 1.00 H new ATOM 0 HH21 ARG A 53 3.794 -14.054 12.934 1.00 1.00 H new ATOM 0 HH22 ARG A 53 4.407 -15.532 13.682 1.00 1.00 H new ATOM 855 N GLY A 54 3.002 -10.826 9.571 1.00 1.00 N ATOM 856 CA GLY A 54 1.611 -10.392 9.561 1.00 1.00 C ATOM 857 C GLY A 54 1.498 -8.908 9.219 1.00 1.00 C ATOM 858 O GLY A 54 0.441 -8.304 9.394 1.00 1.00 O ATOM 0 H GLY A 54 3.299 -11.315 8.727 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.049 -10.979 8.834 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.162 -10.578 10.537 1.00 1.00 H new ATOM 862 N PHE A 55 2.590 -8.327 8.725 1.00 1.00 N ATOM 863 CA PHE A 55 2.589 -6.910 8.361 1.00 1.00 C ATOM 864 C PHE A 55 3.612 -6.623 7.268 1.00 1.00 C ATOM 865 O PHE A 55 4.573 -7.371 7.087 1.00 1.00 O ATOM 866 CB PHE A 55 2.894 -6.038 9.589 1.00 1.00 C ATOM 867 CG PHE A 55 1.648 -5.287 9.986 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.717 -5.893 10.839 1.00 1.00 C ATOM 869 CD2 PHE A 55 1.418 -3.992 9.506 1.00 1.00 C ATOM 870 CE1 PHE A 55 -0.442 -5.203 11.212 1.00 1.00 C ATOM 871 CE2 PHE A 55 0.258 -3.303 9.879 1.00 1.00 C ATOM 872 CZ PHE A 55 -0.672 -3.908 10.733 1.00 1.00 C ATOM 0 H PHE A 55 3.476 -8.807 8.569 1.00 1.00 H new ATOM 0 HA PHE A 55 1.596 -6.667 7.983 1.00 1.00 H new ATOM 0 HB2 PHE A 55 3.237 -6.660 10.416 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.698 -5.338 9.362 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.893 -6.892 11.209 1.00 1.00 H new ATOM 0 HD2 PHE A 55 2.136 -3.525 8.848 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -1.160 -5.670 11.870 1.00 1.00 H new ATOM 0 HE2 PHE A 55 0.080 -2.304 9.508 1.00 1.00 H new ATOM 0 HZ PHE A 55 -1.566 -3.376 11.022 1.00 1.00 H new ATOM 882 N ALA A 56 3.392 -5.532 6.543 1.00 1.00 N ATOM 883 CA ALA A 56 4.293 -5.140 5.461 1.00 1.00 C ATOM 884 C ALA A 56 4.336 -3.620 5.326 1.00 1.00 C ATOM 885 O ALA A 56 3.415 -2.924 5.756 1.00 1.00 O ATOM 886 CB ALA A 56 3.818 -5.753 4.141 1.00 1.00 C ATOM 0 H ALA A 56 2.601 -4.904 6.683 1.00 1.00 H new ATOM 0 HA ALA A 56 5.293 -5.504 5.695 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.494 -5.457 3.338 1.00 1.00 H new ATOM 0 HB2 ALA A 56 3.810 -6.840 4.227 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.812 -5.399 3.917 1.00 1.00 H new ATOM 892 N PHE A 57 5.411 -3.115 4.727 1.00 1.00 N ATOM 893 CA PHE A 57 5.572 -1.675 4.535 1.00 1.00 C ATOM 894 C PHE A 57 5.831 -1.360 3.064 1.00 1.00 C ATOM 895 O PHE A 57 6.701 -1.962 2.434 1.00 1.00 O ATOM 896 CB PHE A 57 6.743 -1.164 5.377 1.00 1.00 C ATOM 897 CG PHE A 57 6.222 -0.525 6.642 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.704 0.776 6.607 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.262 -1.230 7.851 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.226 1.370 7.782 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.785 -0.636 9.024 1.00 1.00 C ATOM 902 CZ PHE A 57 5.267 0.665 8.990 1.00 1.00 C ATOM 0 H PHE A 57 6.181 -3.678 4.367 1.00 1.00 H new ATOM 0 HA PHE A 57 4.653 -1.180 4.849 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.412 -1.988 5.624 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.325 -0.441 4.806 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.673 1.321 5.675 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.661 -2.233 7.878 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.826 2.373 7.756 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.816 -1.181 9.956 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.899 1.124 9.896 1.00 1.00 H new ATOM 912 N VAL A 58 5.070 -0.414 2.522 1.00 1.00 N ATOM 913 CA VAL A 58 5.223 -0.027 1.121 1.00 1.00 C ATOM 914 C VAL A 58 5.125 1.488 0.970 1.00 1.00 C ATOM 915 O VAL A 58 4.175 2.106 1.450 1.00 1.00 O ATOM 916 CB VAL A 58 4.141 -0.692 0.267 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.787 -1.372 -0.942 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.396 -1.741 1.097 1.00 1.00 C ATOM 0 H VAL A 58 4.345 0.097 3.027 1.00 1.00 H new ATOM 0 HA VAL A 58 6.205 -0.356 0.783 1.00 1.00 H new ATOM 0 HB VAL A 58 3.438 0.069 -0.072 1.00 1.00 H new ATOM 0 HG11 VAL A 58 4.015 -1.845 -1.549 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.313 -0.628 -1.540 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.493 -2.128 -0.600 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.627 -2.211 0.484 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.099 -2.499 1.441 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.930 -1.261 1.958 1.00 1.00 H new ATOM 928 N GLN A 59 6.110 2.080 0.294 1.00 1.00 N ATOM 929 CA GLN A 59 6.125 3.526 0.076 1.00 1.00 C ATOM 930 C GLN A 59 6.035 3.838 -1.413 1.00 1.00 C ATOM 931 O GLN A 59 6.451 3.034 -2.247 1.00 1.00 O ATOM 932 CB GLN A 59 7.404 4.135 0.655 1.00 1.00 C ATOM 933 CG GLN A 59 7.513 5.599 0.227 1.00 1.00 C ATOM 934 CD GLN A 59 8.471 6.343 1.151 1.00 1.00 C ATOM 935 OE1 GLN A 59 8.077 6.783 2.230 1.00 1.00 O ATOM 936 NE2 GLN A 59 9.715 6.504 0.793 1.00 1.00 N ATOM 0 H GLN A 59 6.904 1.583 -0.110 1.00 1.00 H new ATOM 0 HA GLN A 59 5.263 3.960 0.582 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.393 4.063 1.743 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.274 3.578 0.307 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.867 5.660 -0.802 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.530 6.069 0.255 1.00 1.00 H new ATOM 0 HE21 GLN A 59 10.039 6.138 -0.102 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.363 6.996 1.408 1.00 1.00 H new ATOM 945 N LEU A 60 5.487 5.006 -1.740 1.00 1.00 N ATOM 946 CA LEU A 60 5.345 5.411 -3.137 1.00 1.00 C ATOM 947 C LEU A 60 6.341 6.521 -3.464 1.00 1.00 C ATOM 948 O LEU A 60 6.931 7.120 -2.564 1.00 1.00 O ATOM 949 CB LEU A 60 3.913 5.905 -3.405 1.00 1.00 C ATOM 950 CG LEU A 60 2.990 4.743 -3.810 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.425 4.164 -5.160 1.00 1.00 C ATOM 952 CD2 LEU A 60 3.031 3.636 -2.753 1.00 1.00 C ATOM 0 H LEU A 60 5.137 5.684 -1.063 1.00 1.00 H new ATOM 0 HA LEU A 60 5.548 4.548 -3.772 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.520 6.391 -2.512 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.926 6.655 -4.196 1.00 1.00 H new ATOM 0 HG LEU A 60 1.974 5.129 -3.891 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.763 3.343 -5.434 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.374 4.941 -5.923 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.448 3.796 -5.085 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.373 2.821 -3.054 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.050 3.262 -2.657 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.699 4.035 -1.795 1.00 1.00 H new ATOM 964 N SER A 61 6.530 6.788 -4.752 1.00 1.00 N ATOM 965 CA SER A 61 7.467 7.823 -5.181 1.00 1.00 C ATOM 966 C SER A 61 6.988 9.211 -4.765 1.00 1.00 C ATOM 967 O SER A 61 7.795 10.079 -4.431 1.00 1.00 O ATOM 968 CB SER A 61 7.634 7.776 -6.700 1.00 1.00 C ATOM 969 OG SER A 61 6.352 7.716 -7.312 1.00 1.00 O ATOM 0 H SER A 61 6.051 6.307 -5.513 1.00 1.00 H new ATOM 0 HA SER A 61 8.425 7.630 -4.697 1.00 1.00 H new ATOM 0 HB2 SER A 61 8.174 8.658 -7.045 1.00 1.00 H new ATOM 0 HB3 SER A 61 8.227 6.907 -6.985 1.00 1.00 H new ATOM 0 HG SER A 61 6.456 7.688 -8.286 1.00 1.00 H new ATOM 975 N SER A 62 5.676 9.410 -4.791 1.00 1.00 N ATOM 976 CA SER A 62 5.092 10.698 -4.421 1.00 1.00 C ATOM 977 C SER A 62 4.249 10.563 -3.158 1.00 1.00 C ATOM 978 O SER A 62 4.039 9.460 -2.653 1.00 1.00 O ATOM 979 CB SER A 62 4.220 11.219 -5.563 1.00 1.00 C ATOM 980 OG SER A 62 5.016 11.368 -6.731 1.00 1.00 O ATOM 0 H SER A 62 4.996 8.700 -5.063 1.00 1.00 H new ATOM 0 HA SER A 62 5.902 11.402 -4.229 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.399 10.527 -5.754 1.00 1.00 H new ATOM 0 HB3 SER A 62 3.774 12.175 -5.288 1.00 1.00 H new ATOM 0 HG SER A 62 4.459 11.700 -7.466 1.00 1.00 H new ATOM 986 N ALA A 63 3.769 11.695 -2.652 1.00 1.00 N ATOM 987 CA ALA A 63 2.951 11.696 -1.446 1.00 1.00 C ATOM 988 C ALA A 63 1.482 11.464 -1.791 1.00 1.00 C ATOM 989 O ALA A 63 0.738 10.867 -1.013 1.00 1.00 O ATOM 990 CB ALA A 63 3.100 13.031 -0.712 1.00 1.00 C ATOM 0 H ALA A 63 3.931 12.617 -3.056 1.00 1.00 H new ATOM 0 HA ALA A 63 3.292 10.887 -0.800 1.00 1.00 H new ATOM 0 HB1 ALA A 63 2.485 13.022 0.188 1.00 1.00 H new ATOM 0 HB2 ALA A 63 4.144 13.180 -0.436 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.777 13.843 -1.364 1.00 1.00 H new ATOM 996 N MET A 64 1.073 11.940 -2.963 1.00 1.00 N ATOM 997 CA MET A 64 -0.310 11.779 -3.400 1.00 1.00 C ATOM 998 C MET A 64 -0.543 10.372 -3.942 1.00 1.00 C ATOM 999 O MET A 64 -1.673 9.885 -3.965 1.00 1.00 O ATOM 1000 CB MET A 64 -0.637 12.806 -4.485 1.00 1.00 C ATOM 1001 CG MET A 64 0.580 12.997 -5.391 1.00 1.00 C ATOM 1002 SD MET A 64 0.028 13.423 -7.062 1.00 1.00 S ATOM 1003 CE MET A 64 1.400 12.653 -7.958 1.00 1.00 C ATOM 0 H MET A 64 1.673 12.436 -3.622 1.00 1.00 H new ATOM 0 HA MET A 64 -0.962 11.937 -2.541 1.00 1.00 H new ATOM 0 HB2 MET A 64 -1.492 12.470 -5.072 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.917 13.756 -4.029 1.00 1.00 H new ATOM 0 HG2 MET A 64 1.221 13.786 -4.996 1.00 1.00 H new ATOM 0 HG3 MET A 64 1.176 12.084 -5.415 1.00 1.00 H new ATOM 0 HE1 MET A 64 1.732 13.318 -8.756 1.00 1.00 H new ATOM 0 HE2 MET A 64 2.226 12.470 -7.271 1.00 1.00 H new ATOM 0 HE3 MET A 64 1.069 11.708 -8.388 1.00 1.00 H new ATOM 1013 N ASP A 65 0.533 9.723 -4.375 1.00 1.00 N ATOM 1014 CA ASP A 65 0.432 8.373 -4.917 1.00 1.00 C ATOM 1015 C ASP A 65 0.026 7.383 -3.829 1.00 1.00 C ATOM 1016 O ASP A 65 -0.369 6.254 -4.121 1.00 1.00 O ATOM 1017 CB ASP A 65 1.776 7.951 -5.515 1.00 1.00 C ATOM 1018 CG ASP A 65 1.847 8.368 -6.981 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.274 9.391 -7.314 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.473 7.656 -7.749 1.00 1.00 O ATOM 0 H ASP A 65 1.478 10.106 -4.362 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.332 8.372 -5.695 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.592 8.411 -4.957 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.899 6.871 -5.429 1.00 1.00 H new ATOM 1025 N ALA A 66 0.125 7.813 -2.575 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.237 6.952 -1.454 1.00 1.00 C ATOM 1027 C ALA A 66 -1.753 6.836 -1.334 1.00 1.00 C ATOM 1028 O ALA A 66 -2.311 5.743 -1.438 1.00 1.00 O ATOM 1029 CB ALA A 66 0.338 7.515 -0.153 1.00 1.00 C ATOM 0 H ALA A 66 0.450 8.743 -2.311 1.00 1.00 H new ATOM 0 HA ALA A 66 0.179 5.961 -1.635 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.062 6.865 0.678 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.424 7.567 -0.228 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.062 8.514 0.019 1.00 1.00 H new ATOM 1035 N SER A 67 -2.414 7.967 -1.116 1.00 1.00 N ATOM 1036 CA SER A 67 -3.866 7.977 -0.987 1.00 1.00 C ATOM 1037 C SER A 67 -4.515 7.420 -2.249 1.00 1.00 C ATOM 1038 O SER A 67 -5.536 6.735 -2.185 1.00 1.00 O ATOM 1039 CB SER A 67 -4.360 9.403 -0.742 1.00 1.00 C ATOM 1040 OG SER A 67 -3.923 10.239 -1.806 1.00 1.00 O ATOM 0 H SER A 67 -1.972 8.882 -1.025 1.00 1.00 H new ATOM 0 HA SER A 67 -4.143 7.349 -0.140 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.448 9.417 -0.676 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.978 9.775 0.209 1.00 1.00 H new ATOM 0 HG SER A 67 -4.239 11.154 -1.654 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.914 7.720 -3.394 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.435 7.249 -4.669 1.00 1.00 C ATOM 1048 C GLN A 68 -4.508 5.726 -4.689 1.00 1.00 C ATOM 1049 O GLN A 68 -5.571 5.150 -4.920 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.530 7.730 -5.804 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.345 8.549 -6.805 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.510 8.836 -8.049 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -3.312 9.995 -8.411 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -3.007 7.841 -8.729 1.00 1.00 N ATOM 0 H GLN A 68 -3.068 8.286 -3.465 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.439 7.651 -4.803 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.717 8.335 -5.402 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.074 6.876 -6.305 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.249 8.006 -7.081 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.663 9.485 -6.347 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -3.173 6.881 -8.426 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.448 8.024 -9.563 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.373 5.081 -4.446 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.321 3.622 -4.442 1.00 1.00 C ATOM 1065 C LEU A 69 -4.225 3.063 -3.346 1.00 1.00 C ATOM 1066 O LEU A 69 -4.706 1.935 -3.440 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.882 3.145 -4.215 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.594 1.922 -5.091 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.147 1.474 -4.878 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.540 0.783 -4.707 1.00 1.00 C ATOM 0 H LEU A 69 -2.483 5.539 -4.251 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.670 3.261 -5.410 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.182 3.946 -4.453 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.734 2.894 -3.165 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.746 2.182 -6.139 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.060 0.604 -5.501 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.529 2.284 -5.151 1.00 1.00 H new ATOM 0 HD13 LEU A 69 0.003 1.214 -3.830 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.334 -0.087 -5.331 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.389 0.522 -3.660 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.572 1.101 -4.857 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.451 3.863 -2.311 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.300 3.436 -1.203 1.00 1.00 C ATOM 1084 C LEU A 70 -6.772 3.594 -1.574 1.00 1.00 C ATOM 1085 O LEU A 70 -7.599 2.751 -1.234 1.00 1.00 O ATOM 1086 CB LEU A 70 -4.989 4.266 0.050 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.734 3.348 1.254 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.234 4.184 2.432 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.029 2.642 1.661 1.00 1.00 C ATOM 0 H LEU A 70 -4.063 4.802 -2.215 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.098 2.385 -0.995 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.115 4.892 -0.129 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.822 4.936 0.266 1.00 1.00 H new ATOM 0 HG LEU A 70 -3.987 2.603 0.979 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.052 3.534 3.288 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.307 4.686 2.154 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -4.985 4.929 2.695 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.837 1.993 2.516 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.779 3.385 1.931 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.395 2.044 0.827 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.092 4.676 -2.274 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.468 4.923 -2.685 1.00 1.00 C ATOM 1103 C GLN A 71 -8.796 4.147 -3.958 1.00 1.00 C ATOM 1104 O GLN A 71 -9.953 3.812 -4.213 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.679 6.419 -2.922 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.054 6.646 -3.552 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.645 7.960 -3.053 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.826 8.017 -2.709 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -9.892 9.023 -2.992 1.00 1.00 N ATOM 0 H GLN A 71 -6.425 5.390 -2.566 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.133 4.585 -1.890 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.605 6.961 -1.979 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.899 6.808 -3.576 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -9.967 6.666 -4.638 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.719 5.820 -3.301 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -8.914 8.972 -3.278 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.281 9.905 -2.659 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.770 3.870 -4.758 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.964 3.138 -6.005 1.00 1.00 C ATOM 1120 C ILE A 72 -8.219 1.658 -5.735 1.00 1.00 C ATOM 1121 O ILE A 72 -9.070 1.039 -6.374 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.729 3.291 -6.895 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.789 4.640 -7.619 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.698 2.164 -7.927 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.429 4.942 -8.249 1.00 1.00 C ATOM 0 H ILE A 72 -6.805 4.139 -4.567 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.835 3.553 -6.512 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.831 3.244 -6.279 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.561 4.618 -8.388 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.060 5.429 -6.918 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.818 2.275 -8.560 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.658 1.203 -7.415 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.596 2.210 -8.543 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.472 5.902 -8.764 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.668 4.982 -7.470 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.177 4.158 -8.963 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.475 1.092 -4.790 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.630 -0.321 -4.452 1.00 1.00 C ATOM 1139 C LEU A 73 -8.865 -0.536 -3.582 1.00 1.00 C ATOM 1140 O LEU A 73 -9.521 -1.574 -3.670 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.386 -0.822 -3.715 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.401 -2.352 -3.656 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.688 -2.921 -4.885 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.677 -2.818 -2.392 1.00 1.00 C ATOM 0 H LEU A 73 -6.764 1.584 -4.248 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.754 -0.884 -5.377 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.486 -0.477 -4.225 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.359 -0.410 -2.706 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.433 -2.703 -3.640 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.700 -4.010 -4.841 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.199 -2.589 -5.789 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.656 -2.570 -4.902 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.686 -3.907 -2.348 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.646 -2.465 -2.412 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.182 -2.415 -1.514 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.178 0.446 -2.744 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.342 0.340 -1.867 1.00 1.00 C ATOM 1158 C GLN A 74 -11.607 0.769 -2.606 1.00 1.00 C ATOM 1159 O GLN A 74 -12.719 0.565 -2.119 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.163 1.210 -0.619 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.009 0.669 0.228 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.798 1.565 1.442 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.095 2.759 1.392 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.310 1.057 2.542 1.00 1.00 N ATOM 0 H GLN A 74 -8.651 1.314 -2.652 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.438 -0.702 -1.562 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.961 2.241 -0.909 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.083 1.217 -0.035 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.228 -0.349 0.549 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.097 0.627 -0.367 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.064 0.068 2.582 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.174 1.650 3.361 1.00 1.00 H new ATOM 1173 N SER A 75 -11.430 1.358 -3.783 1.00 1.00 N ATOM 1174 CA SER A 75 -12.565 1.803 -4.579 1.00 1.00 C ATOM 1175 C SER A 75 -13.324 0.599 -5.121 1.00 1.00 C ATOM 1176 O SER A 75 -14.534 0.658 -5.336 1.00 1.00 O ATOM 1177 CB SER A 75 -12.084 2.674 -5.741 1.00 1.00 C ATOM 1178 OG SER A 75 -12.115 4.039 -5.348 1.00 1.00 O ATOM 0 H SER A 75 -10.518 1.537 -4.204 1.00 1.00 H new ATOM 0 HA SER A 75 -13.229 2.390 -3.945 1.00 1.00 H new ATOM 0 HB2 SER A 75 -11.072 2.389 -6.029 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.719 2.520 -6.613 1.00 1.00 H new ATOM 0 HG SER A 75 -11.227 4.309 -5.035 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.601 -0.496 -5.331 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.214 -1.718 -5.839 1.00 1.00 C ATOM 1186 C LEU A 76 -14.144 -2.312 -4.786 1.00 1.00 C ATOM 1187 O LEU A 76 -13.834 -2.303 -3.595 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.138 -2.744 -6.210 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.233 -2.178 -7.313 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.871 -2.878 -7.275 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.871 -2.410 -8.689 1.00 1.00 C ATOM 0 H LEU A 76 -11.598 -0.563 -5.159 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.789 -1.470 -6.732 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.543 -2.993 -5.332 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.606 -3.668 -6.550 1.00 1.00 H new ATOM 0 HG LEU A 76 -11.106 -1.109 -7.145 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.232 -2.473 -8.060 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.404 -2.712 -6.304 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.007 -3.948 -7.434 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.221 -2.005 -9.464 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.007 -3.479 -8.852 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.839 -1.911 -8.730 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.289 -2.818 -5.230 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.255 -3.405 -4.309 1.00 1.00 C ATOM 1205 C HIS A 77 -15.624 -4.538 -3.497 1.00 1.00 C ATOM 1206 O HIS A 77 -15.622 -4.487 -2.267 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.487 -3.914 -5.068 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.647 -2.997 -4.793 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.497 -1.622 -4.719 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.980 -3.241 -4.571 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -19.708 -1.094 -4.461 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.647 -2.038 -4.361 1.00 1.00 N ATOM 0 H HIS A 77 -15.569 -2.834 -6.211 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.571 -2.626 -3.616 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.281 -3.950 -6.138 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.728 -4.930 -4.755 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -20.441 -4.218 -4.561 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -19.897 -0.037 -4.349 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.640 -1.906 -4.171 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.087 -5.550 -4.140 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.443 -6.695 -3.426 1.00 1.00 C ATOM 1222 C PRO A 78 -13.055 -6.324 -2.878 1.00 1.00 C ATOM 1223 O PRO A 78 -12.141 -6.063 -3.660 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.316 -7.763 -4.513 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.214 -7.005 -5.792 1.00 1.00 C ATOM 1226 CD PRO A 78 -15.030 -5.726 -5.605 1.00 1.00 C ATOM 0 HA PRO A 78 -15.021 -7.016 -2.560 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.436 -8.386 -4.353 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.180 -8.427 -4.516 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.175 -6.772 -6.023 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.601 -7.594 -6.624 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.554 -4.874 -6.091 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -16.027 -5.822 -6.035 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.865 -6.293 -1.572 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.539 -5.946 -0.977 1.00 1.00 C ATOM 1236 C PRO A 79 -10.398 -6.720 -1.631 1.00 1.00 C ATOM 1237 O PRO A 79 -10.611 -7.484 -2.573 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.683 -6.333 0.495 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.146 -6.272 0.784 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.870 -6.574 -0.528 1.00 1.00 C ATOM 0 HA PRO A 79 -11.291 -4.894 -1.121 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.289 -7.332 0.678 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.128 -5.649 1.136 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.419 -6.997 1.551 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.425 -5.288 1.161 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.206 -7.610 -0.568 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.754 -5.948 -0.648 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.183 -6.523 -1.126 1.00 1.00 N ATOM 1249 CA LEU A 80 -8.022 -7.213 -1.674 1.00 1.00 C ATOM 1250 C LEU A 80 -7.940 -8.627 -1.109 1.00 1.00 C ATOM 1251 O LEU A 80 -7.932 -8.815 0.107 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.746 -6.434 -1.331 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.525 -7.099 -1.982 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.656 -7.059 -3.508 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.260 -6.344 -1.565 1.00 1.00 C ATOM 0 H LEU A 80 -8.979 -5.898 -0.346 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.122 -7.273 -2.758 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.836 -5.405 -1.678 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.615 -6.396 -0.250 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.465 -8.137 -1.655 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.785 -7.533 -3.961 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.557 -7.592 -3.810 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.719 -6.023 -3.841 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.389 -6.812 -2.024 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.330 -5.307 -1.893 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.159 -6.375 -0.480 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.888 -9.616 -2.001 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.815 -11.013 -1.579 1.00 1.00 C ATOM 1269 C LYS A 81 -6.600 -11.700 -2.193 1.00 1.00 C ATOM 1270 O LYS A 81 -6.465 -11.777 -3.414 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.093 -11.751 -1.999 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.290 -13.010 -1.138 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.198 -14.043 -1.437 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.762 -15.446 -1.211 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.647 -16.386 -0.896 1.00 1.00 N ATOM 0 H LYS A 81 -7.895 -9.477 -3.011 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.718 -11.041 -0.494 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.954 -11.091 -1.892 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.032 -12.028 -3.051 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.266 -12.742 -0.082 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.271 -13.442 -1.335 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.852 -13.938 -2.465 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.335 -13.876 -0.792 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.482 -15.432 -0.393 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.295 -15.783 -2.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -7.618 -17.142 -1.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.745 -15.869 -0.903 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.800 -16.803 0.044 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.728 -12.207 -1.329 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.526 -12.904 -1.771 1.00 1.00 C ATOM 1291 C ILE A 82 -4.536 -14.326 -1.221 1.00 1.00 C ATOM 1292 O ILE A 82 -4.831 -14.528 -0.041 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.279 -12.163 -1.272 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.266 -10.735 -1.837 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.018 -12.909 -1.717 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.568 -10.710 -3.200 1.00 1.00 C ATOM 0 H ILE A 82 -5.831 -12.148 -0.316 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.506 -12.935 -2.860 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.300 -12.118 -0.183 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -4.287 -10.367 -1.937 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -2.752 -10.067 -1.145 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.136 -12.378 -1.360 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -2.027 -13.917 -1.303 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.993 -12.964 -2.805 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.566 -9.692 -3.589 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.541 -11.058 -3.089 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -3.100 -11.362 -3.893 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.234 -15.301 -2.081 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.224 -16.708 -1.676 1.00 1.00 C ATOM 1310 C ASP A 83 -3.823 -16.856 -0.212 1.00 1.00 C ATOM 1311 O ASP A 83 -2.651 -16.728 0.141 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.246 -17.495 -2.551 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.823 -17.665 -3.952 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.805 -17.006 -4.251 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.273 -18.451 -4.707 1.00 1.00 O ATOM 0 H ASP A 83 -3.994 -15.143 -3.060 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.233 -17.102 -1.802 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.290 -16.973 -2.603 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.052 -18.472 -2.107 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.813 -17.118 0.637 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.566 -17.275 2.063 1.00 1.00 C ATOM 1322 C GLY A 84 -5.728 -16.720 2.881 1.00 1.00 C ATOM 1323 O GLY A 84 -6.336 -17.434 3.678 1.00 1.00 O ATOM 0 H GLY A 84 -5.789 -17.225 0.362 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.422 -18.330 2.297 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.645 -16.759 2.336 1.00 1.00 H new ATOM 1327 N LYS A 85 -6.030 -15.441 2.678 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.121 -14.800 3.403 1.00 1.00 C ATOM 1329 C LYS A 85 -7.374 -13.394 2.865 1.00 1.00 C ATOM 1330 O LYS A 85 -6.692 -12.940 1.946 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.786 -14.724 4.893 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.269 -14.630 5.074 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.955 -13.931 6.398 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.492 -14.181 6.772 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.319 -15.606 7.176 1.00 1.00 N ATOM 0 H LYS A 85 -5.539 -14.833 2.023 1.00 1.00 H new ATOM 0 HA LYS A 85 -8.022 -15.397 3.263 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.270 -13.856 5.341 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.170 -15.605 5.408 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.828 -15.627 5.064 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.827 -14.077 4.245 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.141 -12.861 6.310 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.611 -14.305 7.184 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.845 -13.951 5.926 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.196 -13.522 7.588 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.488 -15.693 7.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.166 -15.927 7.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.183 -16.193 6.328 1.00 1.00 H new ATOM 1349 N THR A 86 -8.357 -12.711 3.442 1.00 1.00 N ATOM 1350 CA THR A 86 -8.693 -11.357 3.011 1.00 1.00 C ATOM 1351 C THR A 86 -7.586 -10.378 3.394 1.00 1.00 C ATOM 1352 O THR A 86 -7.001 -10.478 4.472 1.00 1.00 O ATOM 1353 CB THR A 86 -10.011 -10.916 3.654 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.739 -12.064 4.068 1.00 1.00 O ATOM 1355 CG2 THR A 86 -10.836 -10.125 2.639 1.00 1.00 C ATOM 0 H THR A 86 -8.932 -13.069 4.204 1.00 1.00 H new ATOM 0 HA THR A 86 -8.799 -11.359 1.926 1.00 1.00 H new ATOM 0 HB THR A 86 -9.802 -10.285 4.518 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.582 -11.785 4.482 1.00 1.00 H new ATOM 0 HG21 THR A 86 -11.774 -9.812 3.098 1.00 1.00 H new ATOM 0 HG22 THR A 86 -10.276 -9.246 2.321 1.00 1.00 H new ATOM 0 HG23 THR A 86 -11.047 -10.753 1.774 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.307 -9.434 2.497 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.268 -8.436 2.736 1.00 1.00 C ATOM 1365 C ILE A 87 -6.869 -7.032 2.774 1.00 1.00 C ATOM 1366 O ILE A 87 -7.727 -6.692 1.956 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.214 -8.514 1.630 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.564 -9.903 1.641 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.152 -7.435 1.850 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.361 -9.920 2.588 1.00 1.00 C ATOM 0 H ILE A 87 -7.785 -9.340 1.601 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.803 -8.643 3.700 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.689 -8.349 0.663 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.293 -10.650 1.955 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.246 -10.171 0.633 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.404 -7.495 1.060 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.623 -6.452 1.831 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.672 -7.589 2.817 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.910 -10.912 2.585 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.626 -9.186 2.256 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.689 -9.673 3.598 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.409 -6.224 3.731 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.907 -4.858 3.875 1.00 1.00 C ATOM 1384 C GLY A 88 -5.786 -3.839 3.698 1.00 1.00 C ATOM 1385 O GLY A 88 -4.611 -4.202 3.630 1.00 1.00 O ATOM 0 H GLY A 88 -5.698 -6.490 4.412 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.689 -4.674 3.138 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.361 -4.736 4.858 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.160 -2.564 3.625 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.184 -1.492 3.455 1.00 1.00 C ATOM 1391 C VAL A 89 -5.418 -0.387 4.483 1.00 1.00 C ATOM 1392 O VAL A 89 -6.560 -0.032 4.778 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.295 -0.906 2.048 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.046 -0.081 1.738 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.416 -2.042 1.031 1.00 1.00 C ATOM 0 H VAL A 89 -7.129 -2.249 3.681 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.187 -1.907 3.601 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.177 -0.268 1.990 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.126 0.337 0.734 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.956 0.729 2.462 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.164 -0.719 1.796 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.495 -1.625 0.027 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.534 -2.679 1.091 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.306 -2.633 1.250 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.330 0.156 5.021 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.429 1.220 6.012 1.00 1.00 C ATOM 1407 C ASP A 90 -3.317 2.245 5.808 1.00 1.00 C ATOM 1408 O ASP A 90 -2.290 1.945 5.198 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.336 0.633 7.422 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.621 -0.863 7.382 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -3.682 -1.621 7.201 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -5.775 -1.231 7.532 1.00 1.00 O ATOM 0 H ASP A 90 -3.376 -0.121 4.789 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.392 1.716 5.891 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.343 0.812 7.835 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -5.049 1.130 8.080 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.526 3.452 6.324 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.530 4.510 6.191 1.00 1.00 C ATOM 1419 C PHE A 91 -1.385 4.290 7.173 1.00 1.00 C ATOM 1420 O PHE A 91 -1.515 3.525 8.129 1.00 1.00 O ATOM 1421 CB PHE A 91 -3.179 5.869 6.461 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.755 6.422 5.180 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.905 6.764 4.121 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -5.138 6.596 5.050 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.438 7.279 2.933 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.671 7.111 3.863 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.820 7.454 2.805 1.00 1.00 C ATOM 0 H PHE A 91 -4.368 3.721 6.834 1.00 1.00 H new ATOM 0 HA PHE A 91 -2.134 4.489 5.176 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.965 5.765 7.209 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.441 6.561 6.868 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.838 6.630 4.221 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.794 6.333 5.866 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.782 7.541 2.116 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.738 7.244 3.763 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.231 7.854 1.890 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.263 4.965 6.928 1.00 1.00 N ATOM 1438 CA ALA A 92 0.904 4.840 7.796 1.00 1.00 C ATOM 1439 C ALA A 92 1.141 6.135 8.565 1.00 1.00 C ATOM 1440 O ALA A 92 1.558 7.142 7.990 1.00 1.00 O ATOM 1441 CB ALA A 92 2.141 4.509 6.959 1.00 1.00 C ATOM 0 H ALA A 92 -0.139 5.600 6.140 1.00 1.00 H new ATOM 0 HA ALA A 92 0.720 4.036 8.509 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.009 4.417 7.612 1.00 1.00 H new ATOM 0 HB2 ALA A 92 1.982 3.568 6.432 1.00 1.00 H new ATOM 0 HB3 ALA A 92 2.315 5.306 6.236 1.00 1.00 H new