USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 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 19:sc= 1.3 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.96 K(o=1.2,f=-1.4!) USER MOD Set 1.3: A 59 GLN :FLIP amide:sc= 0.908 F(o=-1.1,f=1.2) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.496 K(o=-0.5,f=-2.7!) USER MOD Single : A 20 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-0.97) USER MOD Single : A 21 THR OG1 : rot -120:sc= -0.603 USER MOD Single : A 25 SER OG : rot 180:sc= -0.534 USER MOD Single : A 27 MET CE :methyl -177:sc= 0 (180deg=-0.00884) USER MOD Single : A 28 THR OG1 : rot 87:sc= 0.33 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00478 USER MOD Single : A 39 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.48) USER MOD Single : A 52 ASN : amide:sc= -2.77 K(o=-2.8,f=-11!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.124 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 61:sc= 0.647 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.015) USER MOD Single : A 74 GLN : amide:sc= -0.481 K(o=-0.48,f=-1.3) USER MOD Single : A 75 SER OG : rot 93:sc= 0.923 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 141:sc= -0.216 (180deg=-1.17!) USER MOD Single : A 85 LYS NZ :NH3+ -143:sc= -0.307 (180deg=-1.37!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N MET A 9 2.805 11.932 5.965 1.00 1.00 N ATOM 130 CA MET A 9 2.161 10.741 5.426 1.00 1.00 C ATOM 131 C MET A 9 2.509 10.564 3.954 1.00 1.00 C ATOM 132 O MET A 9 2.108 11.366 3.109 1.00 1.00 O ATOM 133 CB MET A 9 0.644 10.849 5.585 1.00 1.00 C ATOM 134 CG MET A 9 -0.048 9.842 4.665 1.00 1.00 C ATOM 135 SD MET A 9 -1.748 9.580 5.228 1.00 1.00 S ATOM 136 CE MET A 9 -2.514 10.898 4.252 1.00 1.00 C ATOM 0 HA MET A 9 2.522 9.874 5.979 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.364 10.661 6.621 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.315 11.860 5.345 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.046 10.210 3.639 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.497 8.898 4.667 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.586 10.919 4.447 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.076 11.857 4.528 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.342 10.712 3.192 1.00 1.00 H new ATOM 146 N ASP A 10 3.256 9.509 3.654 1.00 1.00 N ATOM 147 CA ASP A 10 3.656 9.233 2.279 1.00 1.00 C ATOM 148 C ASP A 10 4.035 7.765 2.118 1.00 1.00 C ATOM 149 O ASP A 10 4.838 7.412 1.254 1.00 1.00 O ATOM 150 CB ASP A 10 4.845 10.114 1.892 1.00 1.00 C ATOM 151 CG ASP A 10 6.132 9.532 2.466 1.00 1.00 C ATOM 152 OD1 ASP A 10 6.316 9.621 3.669 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.916 9.005 1.695 1.00 1.00 O ATOM 0 H ASP A 10 3.596 8.834 4.339 1.00 1.00 H new ATOM 0 HA ASP A 10 2.813 9.455 1.624 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.919 10.183 0.807 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.695 11.127 2.266 1.00 1.00 H new ATOM 158 N THR A 11 3.451 6.915 2.954 1.00 1.00 N ATOM 159 CA THR A 11 3.733 5.486 2.898 1.00 1.00 C ATOM 160 C THR A 11 2.542 4.690 3.420 1.00 1.00 C ATOM 161 O THR A 11 1.968 5.022 4.457 1.00 1.00 O ATOM 162 CB THR A 11 4.979 5.170 3.735 1.00 1.00 C ATOM 163 OG1 THR A 11 6.140 5.387 2.948 1.00 1.00 O ATOM 164 CG2 THR A 11 4.941 3.713 4.200 1.00 1.00 C ATOM 0 H THR A 11 2.783 7.188 3.675 1.00 1.00 H new ATOM 0 HA THR A 11 3.915 5.204 1.861 1.00 1.00 H new ATOM 0 HB THR A 11 5.000 5.821 4.609 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.917 5.965 2.189 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.829 3.497 4.794 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.050 3.548 4.806 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.916 3.055 3.332 1.00 1.00 H new ATOM 172 N ILE A 12 2.178 3.637 2.694 1.00 1.00 N ATOM 173 CA ILE A 12 1.056 2.795 3.088 1.00 1.00 C ATOM 174 C ILE A 12 1.556 1.458 3.622 1.00 1.00 C ATOM 175 O ILE A 12 2.679 1.045 3.333 1.00 1.00 O ATOM 176 CB ILE A 12 0.137 2.559 1.888 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.987 2.338 0.634 1.00 1.00 C ATOM 178 CG2 ILE A 12 -0.762 3.779 1.684 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.231 1.434 -0.341 1.00 1.00 C ATOM 0 H ILE A 12 2.642 3.348 1.833 1.00 1.00 H new ATOM 0 HA ILE A 12 0.500 3.302 3.876 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.481 1.680 2.071 1.00 1.00 H new ATOM 0 HG12 ILE A 12 1.212 3.294 0.161 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.940 1.884 0.903 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.416 3.610 0.829 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.366 3.939 2.577 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.145 4.659 1.501 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.836 1.276 -1.234 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.029 0.474 0.135 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.711 1.906 -0.619 1.00 1.00 H new ATOM 191 N ILE A 13 0.714 0.785 4.399 1.00 1.00 N ATOM 192 CA ILE A 13 1.081 -0.510 4.965 1.00 1.00 C ATOM 193 C ILE A 13 -0.071 -1.501 4.825 1.00 1.00 C ATOM 194 O ILE A 13 -1.236 -1.145 4.997 1.00 1.00 O ATOM 195 CB ILE A 13 1.465 -0.354 6.444 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.474 -1.442 6.819 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.225 -0.487 7.333 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.651 -1.476 8.338 1.00 1.00 C ATOM 0 H ILE A 13 -0.220 1.110 4.650 1.00 1.00 H new ATOM 0 HA ILE A 13 1.940 -0.895 4.416 1.00 1.00 H new ATOM 0 HB ILE A 13 1.904 0.632 6.595 1.00 1.00 H new ATOM 0 HG12 ILE A 13 2.128 -2.412 6.461 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.431 -1.247 6.335 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.513 -0.374 8.378 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.496 0.287 7.070 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.226 -1.468 7.185 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.370 -2.251 8.603 1.00 1.00 H new ATOM 0 HD12 ILE A 13 3.016 -0.509 8.683 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.693 -1.692 8.811 1.00 1.00 H new ATOM 210 N LEU A 14 0.266 -2.745 4.506 1.00 1.00 N ATOM 211 CA LEU A 14 -0.746 -3.781 4.342 1.00 1.00 C ATOM 212 C LEU A 14 -0.914 -4.571 5.637 1.00 1.00 C ATOM 213 O LEU A 14 0.057 -4.807 6.359 1.00 1.00 O ATOM 214 CB LEU A 14 -0.345 -4.723 3.207 1.00 1.00 C ATOM 215 CG LEU A 14 0.213 -3.908 2.040 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.442 -4.827 0.838 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.787 -2.814 1.660 1.00 1.00 C ATOM 0 H LEU A 14 1.225 -3.059 4.357 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.696 -3.306 4.097 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.403 -5.434 3.558 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.208 -5.303 2.880 1.00 1.00 H new ATOM 0 HG LEU A 14 1.158 -3.452 2.334 1.00 1.00 H new ATOM 0 HD11 LEU A 14 0.840 -4.246 0.006 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.153 -5.608 1.107 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.503 -5.283 0.543 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.391 -2.232 0.828 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.732 -3.271 1.366 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.952 -2.159 2.515 1.00 1.00 H new ATOM 229 N ARG A 15 -2.151 -4.969 5.925 1.00 1.00 N ATOM 230 CA ARG A 15 -2.448 -5.726 7.137 1.00 1.00 C ATOM 231 C ARG A 15 -3.103 -7.057 6.791 1.00 1.00 C ATOM 232 O ARG A 15 -3.836 -7.155 5.810 1.00 1.00 O ATOM 233 CB ARG A 15 -3.377 -4.901 8.038 1.00 1.00 C ATOM 234 CG ARG A 15 -4.219 -5.819 8.927 1.00 1.00 C ATOM 235 CD ARG A 15 -4.796 -5.007 10.090 1.00 1.00 C ATOM 236 NE ARG A 15 -3.876 -5.033 11.221 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.189 -4.464 12.382 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.339 -3.864 12.524 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.346 -4.507 13.378 1.00 1.00 N ATOM 0 H ARG A 15 -2.962 -4.780 5.336 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.516 -5.930 7.664 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.786 -4.227 8.658 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.030 -4.280 7.425 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -5.025 -6.267 8.346 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.607 -6.637 9.308 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.969 -3.978 9.775 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.762 -5.417 10.387 1.00 1.00 H new ATOM 0 HE ARG A 15 -2.973 -5.497 11.120 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.997 -3.832 11.745 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.580 -3.427 13.414 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.448 -4.977 13.266 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.586 -4.071 14.268 1.00 1.00 H new ATOM 253 N ASN A 16 -2.827 -8.070 7.610 1.00 1.00 N ATOM 254 CA ASN A 16 -3.388 -9.404 7.411 1.00 1.00 C ATOM 255 C ASN A 16 -2.683 -10.130 6.269 1.00 1.00 C ATOM 256 O ASN A 16 -3.324 -10.578 5.319 1.00 1.00 O ATOM 257 CB ASN A 16 -4.881 -9.302 7.111 1.00 1.00 C ATOM 258 CG ASN A 16 -5.574 -10.611 7.459 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.235 -11.255 8.451 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.540 -11.047 6.695 1.00 1.00 N ATOM 0 H ASN A 16 -2.215 -7.991 8.422 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.238 -9.975 8.327 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.320 -8.485 7.684 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.033 -9.070 6.057 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -7.014 -11.922 6.921 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.821 -10.513 5.873 1.00 1.00 H new ATOM 267 N ILE A 17 -1.363 -10.251 6.371 1.00 1.00 N ATOM 268 CA ILE A 17 -0.588 -10.932 5.340 1.00 1.00 C ATOM 269 C ILE A 17 -0.250 -12.355 5.767 1.00 1.00 C ATOM 270 O ILE A 17 0.190 -12.589 6.892 1.00 1.00 O ATOM 271 CB ILE A 17 0.709 -10.167 5.067 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.408 -8.674 4.895 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.365 -10.711 3.797 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.718 -8.481 3.875 1.00 1.00 C ATOM 0 H ILE A 17 -0.812 -9.890 7.150 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.191 -10.969 4.433 1.00 1.00 H new ATOM 0 HB ILE A 17 1.387 -10.298 5.910 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.121 -8.240 5.853 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.304 -8.150 4.563 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.289 -10.166 3.603 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.589 -11.770 3.928 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.685 -10.585 2.954 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.925 -7.417 3.759 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.415 -8.898 2.915 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.616 -8.990 4.224 1.00 1.00 H new ATOM 286 N ALA A 18 -0.450 -13.303 4.859 1.00 1.00 N ATOM 287 CA ALA A 18 -0.150 -14.699 5.156 1.00 1.00 C ATOM 288 C ALA A 18 1.363 -14.914 5.201 1.00 1.00 C ATOM 289 O ALA A 18 2.126 -14.101 4.680 1.00 1.00 O ATOM 290 CB ALA A 18 -0.768 -15.605 4.088 1.00 1.00 C ATOM 0 H ALA A 18 -0.814 -13.134 3.921 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.574 -14.950 6.128 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.539 -16.646 4.317 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.849 -15.466 4.074 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.356 -15.350 3.112 1.00 1.00 H new ATOM 296 N PRO A 19 1.809 -15.983 5.812 1.00 1.00 N ATOM 297 CA PRO A 19 3.265 -16.298 5.921 1.00 1.00 C ATOM 298 C PRO A 19 3.863 -16.753 4.589 1.00 1.00 C ATOM 299 O PRO A 19 5.070 -16.968 4.483 1.00 1.00 O ATOM 300 CB PRO A 19 3.310 -17.432 6.947 1.00 1.00 C ATOM 301 CG PRO A 19 1.977 -18.098 6.855 1.00 1.00 C ATOM 302 CD PRO A 19 0.977 -17.011 6.462 1.00 1.00 C ATOM 0 HA PRO A 19 3.850 -15.425 6.209 1.00 1.00 H new ATOM 0 HB2 PRO A 19 4.116 -18.132 6.725 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.489 -17.047 7.951 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.993 -18.897 6.114 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.703 -18.552 7.808 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.215 -17.395 5.784 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.457 -16.612 7.333 1.00 1.00 H new ATOM 310 N HIS A 20 3.010 -16.904 3.581 1.00 1.00 N ATOM 311 CA HIS A 20 3.462 -17.342 2.264 1.00 1.00 C ATOM 312 C HIS A 20 3.500 -16.173 1.284 1.00 1.00 C ATOM 313 O HIS A 20 3.451 -16.366 0.070 1.00 1.00 O ATOM 314 CB HIS A 20 2.518 -18.420 1.730 1.00 1.00 C ATOM 315 CG HIS A 20 3.030 -18.941 0.418 1.00 1.00 C ATOM 316 ND1 HIS A 20 2.257 -18.926 -0.734 1.00 1.00 N ATOM 317 CD2 HIS A 20 4.230 -19.501 0.055 1.00 1.00 C ATOM 318 CE1 HIS A 20 2.994 -19.464 -1.724 1.00 1.00 C ATOM 319 NE2 HIS A 20 4.205 -19.831 -1.297 1.00 1.00 N ATOM 0 H HIS A 20 2.007 -16.731 3.649 1.00 1.00 H new ATOM 0 HA HIS A 20 4.470 -17.745 2.364 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.438 -19.235 2.449 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.517 -18.009 1.602 1.00 1.00 H new ATOM 0 HD2 HIS A 20 5.067 -19.661 0.718 1.00 1.00 H new ATOM 0 HE1 HIS A 20 2.648 -19.584 -2.740 1.00 1.00 H new ATOM 0 HE2 HIS A 20 4.951 -20.261 -1.844 1.00 1.00 H new ATOM 327 N THR A 21 3.581 -14.961 1.820 1.00 1.00 N ATOM 328 CA THR A 21 3.620 -13.768 0.983 1.00 1.00 C ATOM 329 C THR A 21 5.052 -13.429 0.584 1.00 1.00 C ATOM 330 O THR A 21 5.981 -13.589 1.373 1.00 1.00 O ATOM 331 CB THR A 21 3.004 -12.586 1.732 1.00 1.00 C ATOM 332 OG1 THR A 21 1.587 -12.700 1.705 1.00 1.00 O ATOM 333 CG2 THR A 21 3.425 -11.277 1.063 1.00 1.00 C ATOM 0 H THR A 21 3.621 -14.779 2.823 1.00 1.00 H new ATOM 0 HA THR A 21 3.046 -13.968 0.078 1.00 1.00 H new ATOM 0 HB THR A 21 3.352 -12.589 2.765 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.204 -11.914 1.263 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.984 -10.436 1.599 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.511 -11.191 1.083 1.00 1.00 H new ATOM 0 HG23 THR A 21 3.080 -11.269 0.029 1.00 1.00 H new ATOM 341 N VAL A 22 5.217 -12.949 -0.645 1.00 1.00 N ATOM 342 CA VAL A 22 6.536 -12.579 -1.142 1.00 1.00 C ATOM 343 C VAL A 22 6.469 -11.237 -1.862 1.00 1.00 C ATOM 344 O VAL A 22 5.497 -10.943 -2.558 1.00 1.00 O ATOM 345 CB VAL A 22 7.058 -13.650 -2.100 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.110 -14.503 -1.389 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.898 -14.544 -2.546 1.00 1.00 C ATOM 0 H VAL A 22 4.458 -12.808 -1.311 1.00 1.00 H new ATOM 0 HA VAL A 22 7.216 -12.496 -0.294 1.00 1.00 H new ATOM 0 HB VAL A 22 7.506 -13.170 -2.970 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.482 -15.266 -2.072 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.937 -13.869 -1.069 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.662 -14.982 -0.519 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.269 -15.308 -3.229 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.452 -15.023 -1.674 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.146 -13.939 -3.052 1.00 1.00 H new ATOM 357 N VAL A 23 7.505 -10.424 -1.691 1.00 1.00 N ATOM 358 CA VAL A 23 7.548 -9.114 -2.329 1.00 1.00 C ATOM 359 C VAL A 23 7.194 -9.227 -3.809 1.00 1.00 C ATOM 360 O VAL A 23 6.736 -8.264 -4.423 1.00 1.00 O ATOM 361 CB VAL A 23 8.945 -8.506 -2.175 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.150 -7.413 -3.225 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.082 -7.899 -0.777 1.00 1.00 C ATOM 0 H VAL A 23 8.321 -10.646 -1.120 1.00 1.00 H new ATOM 0 HA VAL A 23 6.817 -8.467 -1.844 1.00 1.00 H new ATOM 0 HB VAL A 23 9.696 -9.284 -2.313 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.145 -6.982 -3.113 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.051 -7.843 -4.222 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.400 -6.634 -3.090 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.076 -7.465 -0.664 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.330 -7.122 -0.642 1.00 1.00 H new ATOM 0 HG23 VAL A 23 8.938 -8.677 -0.027 1.00 1.00 H new ATOM 373 N ASP A 24 7.413 -10.408 -4.377 1.00 1.00 N ATOM 374 CA ASP A 24 7.115 -10.633 -5.789 1.00 1.00 C ATOM 375 C ASP A 24 5.610 -10.758 -6.017 1.00 1.00 C ATOM 376 O ASP A 24 5.095 -10.340 -7.053 1.00 1.00 O ATOM 377 CB ASP A 24 7.811 -11.908 -6.270 1.00 1.00 C ATOM 378 CG ASP A 24 8.738 -11.588 -7.436 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.256 -11.050 -8.421 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.916 -11.889 -7.332 1.00 1.00 O ATOM 0 H ASP A 24 7.792 -11.219 -3.888 1.00 1.00 H new ATOM 0 HA ASP A 24 7.482 -9.777 -6.355 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.380 -12.351 -5.453 1.00 1.00 H new ATOM 0 HB3 ASP A 24 7.068 -12.644 -6.577 1.00 1.00 H new ATOM 385 N SER A 25 4.911 -11.339 -5.045 1.00 1.00 N ATOM 386 CA SER A 25 3.467 -11.518 -5.161 1.00 1.00 C ATOM 387 C SER A 25 2.737 -10.190 -4.974 1.00 1.00 C ATOM 388 O SER A 25 1.686 -9.962 -5.574 1.00 1.00 O ATOM 389 CB SER A 25 2.979 -12.519 -4.114 1.00 1.00 C ATOM 390 OG SER A 25 3.347 -13.832 -4.514 1.00 1.00 O ATOM 0 H SER A 25 5.316 -11.690 -4.177 1.00 1.00 H new ATOM 0 HA SER A 25 3.251 -11.898 -6.160 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.414 -12.287 -3.142 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.897 -12.450 -4.004 1.00 1.00 H new ATOM 0 HG SER A 25 3.037 -14.477 -3.844 1.00 1.00 H new ATOM 396 N ILE A 26 3.298 -9.320 -4.145 1.00 1.00 N ATOM 397 CA ILE A 26 2.687 -8.019 -3.893 1.00 1.00 C ATOM 398 C ILE A 26 3.109 -7.020 -4.965 1.00 1.00 C ATOM 399 O ILE A 26 2.413 -6.036 -5.219 1.00 1.00 O ATOM 400 CB ILE A 26 3.100 -7.492 -2.515 1.00 1.00 C ATOM 401 CG1 ILE A 26 2.982 -8.608 -1.468 1.00 1.00 C ATOM 402 CG2 ILE A 26 2.186 -6.331 -2.120 1.00 1.00 C ATOM 403 CD1 ILE A 26 1.640 -9.326 -1.622 1.00 1.00 C ATOM 0 H ILE A 26 4.168 -9.488 -3.639 1.00 1.00 H new ATOM 0 HA ILE A 26 1.604 -8.140 -3.920 1.00 1.00 H new ATOM 0 HB ILE A 26 4.134 -7.150 -2.560 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.800 -9.318 -1.587 1.00 1.00 H new ATOM 0 HG13 ILE A 26 3.067 -8.189 -0.465 1.00 1.00 H new ATOM 0 HG21 ILE A 26 2.479 -5.955 -1.140 1.00 1.00 H new ATOM 0 HG22 ILE A 26 2.274 -5.532 -2.856 1.00 1.00 H new ATOM 0 HG23 ILE A 26 1.153 -6.678 -2.082 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.563 -10.117 -0.876 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.828 -8.613 -1.481 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.572 -9.760 -2.619 1.00 1.00 H new ATOM 415 N MET A 27 4.252 -7.280 -5.589 1.00 1.00 N ATOM 416 CA MET A 27 4.761 -6.399 -6.631 1.00 1.00 C ATOM 417 C MET A 27 3.903 -6.499 -7.888 1.00 1.00 C ATOM 418 O MET A 27 3.369 -5.498 -8.370 1.00 1.00 O ATOM 419 CB MET A 27 6.205 -6.775 -6.970 1.00 1.00 C ATOM 420 CG MET A 27 7.153 -6.142 -5.950 1.00 1.00 C ATOM 421 SD MET A 27 7.755 -4.558 -6.584 1.00 1.00 S ATOM 422 CE MET A 27 9.265 -5.182 -7.358 1.00 1.00 C ATOM 0 H MET A 27 4.841 -8.090 -5.392 1.00 1.00 H new ATOM 0 HA MET A 27 4.726 -5.374 -6.262 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.320 -7.859 -6.965 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.454 -6.433 -7.974 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.637 -5.993 -5.002 1.00 1.00 H new ATOM 0 HG3 MET A 27 7.992 -6.810 -5.755 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.831 -4.349 -7.775 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.871 -5.696 -6.612 1.00 1.00 H new ATOM 0 HE3 MET A 27 9.004 -5.878 -8.155 1.00 1.00 H new ATOM 432 N THR A 28 3.779 -7.711 -8.417 1.00 1.00 N ATOM 433 CA THR A 28 2.989 -7.935 -9.624 1.00 1.00 C ATOM 434 C THR A 28 1.512 -7.639 -9.372 1.00 1.00 C ATOM 435 O THR A 28 0.764 -7.335 -10.301 1.00 1.00 O ATOM 436 CB THR A 28 3.148 -9.383 -10.089 1.00 1.00 C ATOM 437 OG1 THR A 28 4.511 -9.769 -9.973 1.00 1.00 O ATOM 438 CG2 THR A 28 2.701 -9.505 -11.546 1.00 1.00 C ATOM 0 H THR A 28 4.213 -8.550 -8.032 1.00 1.00 H new ATOM 0 HA THR A 28 3.352 -7.259 -10.399 1.00 1.00 H new ATOM 0 HB THR A 28 2.533 -10.034 -9.469 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.679 -10.108 -9.069 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.815 -10.538 -11.876 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.655 -9.210 -11.632 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.314 -8.855 -12.170 1.00 1.00 H new ATOM 446 N ALA A 29 1.096 -7.739 -8.113 1.00 1.00 N ATOM 447 CA ALA A 29 -0.296 -7.489 -7.757 1.00 1.00 C ATOM 448 C ALA A 29 -0.618 -5.999 -7.826 1.00 1.00 C ATOM 449 O ALA A 29 -1.745 -5.614 -8.142 1.00 1.00 O ATOM 450 CB ALA A 29 -0.572 -8.004 -6.343 1.00 1.00 C ATOM 0 H ALA A 29 1.698 -7.989 -7.328 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.929 -8.016 -8.471 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.613 -7.814 -6.083 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.377 -9.076 -6.302 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.078 -7.490 -5.635 1.00 1.00 H new ATOM 456 N LEU A 30 0.370 -5.165 -7.522 1.00 1.00 N ATOM 457 CA LEU A 30 0.176 -3.717 -7.545 1.00 1.00 C ATOM 458 C LEU A 30 0.768 -3.108 -8.815 1.00 1.00 C ATOM 459 O LEU A 30 0.838 -1.886 -8.952 1.00 1.00 O ATOM 460 CB LEU A 30 0.839 -3.083 -6.318 1.00 1.00 C ATOM 461 CG LEU A 30 -0.021 -3.333 -5.072 1.00 1.00 C ATOM 462 CD1 LEU A 30 0.755 -2.901 -3.827 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.329 -2.531 -5.154 1.00 1.00 C ATOM 0 H LEU A 30 1.309 -5.463 -7.258 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.895 -3.516 -7.529 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.834 -3.503 -6.174 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.965 -2.012 -6.475 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.259 -4.395 -5.016 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.147 -3.077 -2.940 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.677 -3.477 -3.755 1.00 1.00 H new ATOM 0 HD13 LEU A 30 0.995 -1.840 -3.898 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.928 -2.719 -4.263 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.100 -1.467 -5.219 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.888 -2.837 -6.038 1.00 1.00 H new ATOM 475 N SER A 31 1.202 -3.962 -9.734 1.00 1.00 N ATOM 476 CA SER A 31 1.796 -3.493 -10.982 1.00 1.00 C ATOM 477 C SER A 31 0.799 -2.686 -11.818 1.00 1.00 C ATOM 478 O SER A 31 1.097 -1.562 -12.221 1.00 1.00 O ATOM 479 CB SER A 31 2.315 -4.679 -11.797 1.00 1.00 C ATOM 480 OG SER A 31 3.735 -4.633 -11.841 1.00 1.00 O ATOM 0 H SER A 31 1.155 -4.977 -9.641 1.00 1.00 H new ATOM 0 HA SER A 31 2.626 -2.835 -10.724 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.984 -5.616 -11.349 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.907 -4.647 -12.807 1.00 1.00 H new ATOM 0 HG SER A 31 4.071 -5.393 -12.361 1.00 1.00 H new ATOM 486 N PRO A 32 -0.365 -3.225 -12.096 1.00 1.00 N ATOM 487 CA PRO A 32 -1.393 -2.518 -12.913 1.00 1.00 C ATOM 488 C PRO A 32 -2.146 -1.459 -12.112 1.00 1.00 C ATOM 489 O PRO A 32 -2.961 -0.718 -12.659 1.00 1.00 O ATOM 490 CB PRO A 32 -2.331 -3.639 -13.353 1.00 1.00 C ATOM 491 CG PRO A 32 -2.235 -4.675 -12.282 1.00 1.00 C ATOM 492 CD PRO A 32 -0.835 -4.558 -11.671 1.00 1.00 C ATOM 0 HA PRO A 32 -0.949 -1.972 -13.745 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.354 -3.277 -13.460 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.033 -4.044 -14.320 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.001 -4.518 -11.523 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.394 -5.672 -12.694 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.866 -4.642 -10.585 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.175 -5.347 -12.033 1.00 1.00 H new ATOM 500 N TYR A 33 -1.870 -1.401 -10.815 1.00 1.00 N ATOM 501 CA TYR A 33 -2.534 -0.430 -9.950 1.00 1.00 C ATOM 502 C TYR A 33 -1.702 0.843 -9.823 1.00 1.00 C ATOM 503 O TYR A 33 -2.239 1.924 -9.583 1.00 1.00 O ATOM 504 CB TYR A 33 -2.762 -1.033 -8.562 1.00 1.00 C ATOM 505 CG TYR A 33 -3.853 -2.072 -8.639 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.540 -3.391 -8.990 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.177 -1.717 -8.358 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.553 -4.355 -9.061 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.190 -2.681 -8.429 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.877 -4.000 -8.780 1.00 1.00 C ATOM 511 OH TYR A 33 -6.876 -4.950 -8.849 1.00 1.00 O ATOM 0 H TYR A 33 -1.199 -2.007 -10.342 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.494 -0.176 -10.399 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.841 -1.484 -8.194 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.039 -0.251 -7.855 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.518 -3.665 -9.206 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.417 -0.700 -8.086 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.313 -5.372 -9.333 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.212 -2.407 -8.213 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.736 -4.537 -8.623 1.00 1.00 H new ATOM 521 N ALA A 34 -0.390 0.709 -9.984 1.00 1.00 N ATOM 522 CA ALA A 34 0.502 1.858 -9.883 1.00 1.00 C ATOM 523 C ALA A 34 1.942 1.448 -10.163 1.00 1.00 C ATOM 524 O ALA A 34 2.208 0.323 -10.580 1.00 1.00 O ATOM 525 CB ALA A 34 0.407 2.470 -8.482 1.00 1.00 C ATOM 0 H ALA A 34 0.076 -0.176 -10.183 1.00 1.00 H new ATOM 0 HA ALA A 34 0.197 2.596 -10.625 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.076 3.328 -8.414 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.617 2.793 -8.295 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.695 1.726 -7.740 1.00 1.00 H new ATOM 531 N SER A 35 2.864 2.374 -9.925 1.00 1.00 N ATOM 532 CA SER A 35 4.281 2.111 -10.151 1.00 1.00 C ATOM 533 C SER A 35 5.012 1.964 -8.821 1.00 1.00 C ATOM 534 O SER A 35 4.978 2.865 -7.982 1.00 1.00 O ATOM 535 CB SER A 35 4.904 3.253 -10.953 1.00 1.00 C ATOM 536 OG SER A 35 3.928 4.266 -11.162 1.00 1.00 O ATOM 0 H SER A 35 2.657 3.310 -9.577 1.00 1.00 H new ATOM 0 HA SER A 35 4.375 1.182 -10.713 1.00 1.00 H new ATOM 0 HB2 SER A 35 5.762 3.662 -10.419 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.272 2.883 -11.910 1.00 1.00 H new ATOM 0 HG SER A 35 4.324 5.001 -11.675 1.00 1.00 H new ATOM 542 N LEU A 36 5.671 0.823 -8.638 1.00 1.00 N ATOM 543 CA LEU A 36 6.409 0.561 -7.404 1.00 1.00 C ATOM 544 C LEU A 36 7.909 0.541 -7.675 1.00 1.00 C ATOM 545 O LEU A 36 8.343 0.602 -8.825 1.00 1.00 O ATOM 546 CB LEU A 36 5.981 -0.781 -6.800 1.00 1.00 C ATOM 547 CG LEU A 36 5.146 -1.571 -7.812 1.00 1.00 C ATOM 548 CD1 LEU A 36 4.996 -3.014 -7.332 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.758 -0.937 -7.945 1.00 1.00 C ATOM 0 H LEU A 36 5.710 0.069 -9.323 1.00 1.00 H new ATOM 0 HA LEU A 36 6.184 1.360 -6.697 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.861 -1.357 -6.514 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.402 -0.612 -5.892 1.00 1.00 H new ATOM 0 HG LEU A 36 5.647 -1.555 -8.780 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.402 -3.577 -8.052 1.00 1.00 H new ATOM 0 HD12 LEU A 36 5.981 -3.471 -7.239 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.498 -3.025 -6.363 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.167 -1.502 -8.666 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.258 -0.950 -6.977 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.860 0.093 -8.287 1.00 1.00 H new ATOM 561 N ALA A 37 8.696 0.452 -6.607 1.00 1.00 N ATOM 562 CA ALA A 37 10.147 0.422 -6.743 1.00 1.00 C ATOM 563 C ALA A 37 10.762 -0.480 -5.676 1.00 1.00 C ATOM 564 O ALA A 37 10.469 -0.343 -4.488 1.00 1.00 O ATOM 565 CB ALA A 37 10.711 1.841 -6.620 1.00 1.00 C ATOM 0 H ALA A 37 8.357 0.400 -5.646 1.00 1.00 H new ATOM 0 HA ALA A 37 10.399 0.021 -7.725 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.796 1.812 -6.723 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.289 2.469 -7.404 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.450 2.253 -5.645 1.00 1.00 H new ATOM 571 N VAL A 38 11.605 -1.410 -6.112 1.00 1.00 N ATOM 572 CA VAL A 38 12.252 -2.344 -5.195 1.00 1.00 C ATOM 573 C VAL A 38 12.878 -1.617 -4.004 1.00 1.00 C ATOM 574 O VAL A 38 12.841 -2.112 -2.878 1.00 1.00 O ATOM 575 CB VAL A 38 13.337 -3.127 -5.936 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.141 -3.958 -4.937 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.682 -4.055 -6.962 1.00 1.00 C ATOM 0 H VAL A 38 11.856 -1.538 -7.092 1.00 1.00 H new ATOM 0 HA VAL A 38 11.489 -3.025 -4.818 1.00 1.00 H new ATOM 0 HB VAL A 38 14.003 -2.431 -6.446 1.00 1.00 H new ATOM 0 HG11 VAL A 38 14.914 -4.516 -5.466 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.607 -3.297 -4.206 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.477 -4.655 -4.426 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.453 -4.614 -7.491 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.016 -4.750 -6.451 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.109 -3.462 -7.675 1.00 1.00 H new ATOM 587 N ASN A 39 13.466 -0.453 -4.262 1.00 1.00 N ATOM 588 CA ASN A 39 14.113 0.319 -3.203 1.00 1.00 C ATOM 589 C ASN A 39 13.102 1.152 -2.417 1.00 1.00 C ATOM 590 O ASN A 39 13.485 1.936 -1.548 1.00 1.00 O ATOM 591 CB ASN A 39 15.168 1.244 -3.811 1.00 1.00 C ATOM 592 CG ASN A 39 14.533 2.575 -4.196 1.00 1.00 C ATOM 593 OD1 ASN A 39 13.687 2.625 -5.090 1.00 1.00 O ATOM 594 ND2 ASN A 39 14.886 3.663 -3.566 1.00 1.00 N ATOM 0 H ASN A 39 13.509 -0.025 -5.187 1.00 1.00 H new ATOM 0 HA ASN A 39 14.582 -0.385 -2.515 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.974 1.409 -3.096 1.00 1.00 H new ATOM 0 HB3 ASN A 39 15.612 0.776 -4.689 1.00 1.00 H new ATOM 0 HD21 ASN A 39 14.461 4.557 -3.814 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.587 3.619 -2.826 1.00 1.00 H new ATOM 601 N ASN A 40 11.819 0.981 -2.727 1.00 1.00 N ATOM 602 CA ASN A 40 10.764 1.732 -2.039 1.00 1.00 C ATOM 603 C ASN A 40 9.824 0.789 -1.291 1.00 1.00 C ATOM 604 O ASN A 40 8.863 1.235 -0.665 1.00 1.00 O ATOM 605 CB ASN A 40 9.961 2.553 -3.058 1.00 1.00 C ATOM 606 CG ASN A 40 9.751 3.992 -2.587 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.005 4.328 -1.430 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.280 4.867 -3.434 1.00 1.00 N ATOM 0 H ASN A 40 11.484 0.336 -3.443 1.00 1.00 H new ATOM 0 HA ASN A 40 11.234 2.400 -1.317 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.483 2.556 -4.015 1.00 1.00 H new ATOM 0 HB3 ASN A 40 8.993 2.080 -3.224 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.122 5.830 -3.137 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.070 4.587 -4.392 1.00 1.00 H new ATOM 615 N ILE A 41 10.101 -0.512 -1.358 1.00 1.00 N ATOM 616 CA ILE A 41 9.269 -1.496 -0.681 1.00 1.00 C ATOM 617 C ILE A 41 10.135 -2.496 0.080 1.00 1.00 C ATOM 618 O ILE A 41 11.092 -3.045 -0.465 1.00 1.00 O ATOM 619 CB ILE A 41 8.397 -2.228 -1.701 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.263 -3.138 -2.578 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.682 -1.207 -2.586 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.439 -3.631 -3.768 1.00 1.00 C ATOM 0 H ILE A 41 10.890 -0.904 -1.871 1.00 1.00 H new ATOM 0 HA ILE A 41 8.628 -0.980 0.033 1.00 1.00 H new ATOM 0 HB ILE A 41 7.664 -2.835 -1.170 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.140 -2.595 -2.929 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.625 -3.986 -1.996 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.060 -1.728 -3.314 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.055 -0.565 -1.967 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.420 -0.599 -3.109 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.054 -4.279 -4.393 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.575 -4.189 -3.406 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.099 -2.777 -4.354 1.00 1.00 H new ATOM 634 N ARG A 42 9.795 -2.715 1.348 1.00 1.00 N ATOM 635 CA ARG A 42 10.548 -3.642 2.184 1.00 1.00 C ATOM 636 C ARG A 42 9.610 -4.587 2.930 1.00 1.00 C ATOM 637 O ARG A 42 8.536 -4.186 3.377 1.00 1.00 O ATOM 638 CB ARG A 42 11.394 -2.861 3.192 1.00 1.00 C ATOM 639 CG ARG A 42 12.323 -3.823 3.938 1.00 1.00 C ATOM 640 CD ARG A 42 13.348 -3.022 4.742 1.00 1.00 C ATOM 641 NE ARG A 42 14.541 -2.783 3.939 1.00 1.00 N ATOM 642 CZ ARG A 42 15.506 -1.974 4.364 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.395 -1.378 5.519 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.565 -1.777 3.627 1.00 1.00 N ATOM 0 H ARG A 42 9.008 -2.266 1.815 1.00 1.00 H new ATOM 0 HA ARG A 42 11.198 -4.234 1.539 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.980 -2.099 2.677 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.748 -2.342 3.900 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.743 -4.463 4.603 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.831 -4.477 3.230 1.00 1.00 H new ATOM 0 HD2 ARG A 42 12.914 -2.072 5.054 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.614 -3.564 5.649 1.00 1.00 H new ATOM 0 HE ARG A 42 14.637 -3.245 3.035 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.568 -1.533 6.095 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.135 -0.757 5.846 1.00 1.00 H new ATOM 0 HH21 ARG A 42 16.652 -2.244 2.724 1.00 1.00 H new ATOM 0 HH22 ARG A 42 17.305 -1.156 3.954 1.00 1.00 H new ATOM 658 N LEU A 43 10.033 -5.839 3.067 1.00 1.00 N ATOM 659 CA LEU A 43 9.235 -6.843 3.768 1.00 1.00 C ATOM 660 C LEU A 43 9.885 -7.174 5.110 1.00 1.00 C ATOM 661 O LEU A 43 10.951 -7.787 5.159 1.00 1.00 O ATOM 662 CB LEU A 43 9.139 -8.115 2.916 1.00 1.00 C ATOM 663 CG LEU A 43 7.674 -8.454 2.610 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.909 -8.686 3.913 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.025 -7.304 1.836 1.00 1.00 C ATOM 0 H LEU A 43 10.921 -6.184 2.704 1.00 1.00 H new ATOM 0 HA LEU A 43 8.234 -6.448 3.940 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.688 -7.977 1.984 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.608 -8.947 3.442 1.00 1.00 H new ATOM 0 HG LEU A 43 7.641 -9.361 2.006 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.870 -8.926 3.687 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.362 -9.514 4.459 1.00 1.00 H new ATOM 0 HD13 LEU A 43 6.948 -7.784 4.524 1.00 1.00 H new ATOM 0 HD21 LEU A 43 5.985 -7.551 1.622 1.00 1.00 H new ATOM 0 HD22 LEU A 43 7.066 -6.394 2.434 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.561 -7.147 0.900 1.00 1.00 H new ATOM 677 N ILE A 44 9.240 -6.760 6.193 1.00 1.00 N ATOM 678 CA ILE A 44 9.771 -7.010 7.530 1.00 1.00 C ATOM 679 C ILE A 44 9.912 -8.508 7.785 1.00 1.00 C ATOM 680 O ILE A 44 8.947 -9.178 8.147 1.00 1.00 O ATOM 681 CB ILE A 44 8.845 -6.397 8.582 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.423 -6.648 9.976 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.461 -7.040 8.483 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.465 -5.333 10.757 1.00 1.00 C ATOM 0 H ILE A 44 8.355 -6.253 6.175 1.00 1.00 H new ATOM 0 HA ILE A 44 10.757 -6.549 7.598 1.00 1.00 H new ATOM 0 HB ILE A 44 8.760 -5.324 8.409 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.814 -7.379 10.507 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.426 -7.067 9.895 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.802 -6.603 9.233 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.048 -6.864 7.490 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.545 -8.113 8.656 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.877 -5.513 11.750 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.093 -4.616 10.228 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.455 -4.933 10.850 1.00 1.00 H new ATOM 817 N ASN A 52 7.558 -12.676 6.691 1.00 1.00 N ATOM 818 CA ASN A 52 6.727 -11.556 7.122 1.00 1.00 C ATOM 819 C ASN A 52 5.912 -11.922 8.359 1.00 1.00 C ATOM 820 O ASN A 52 5.247 -12.957 8.394 1.00 1.00 O ATOM 821 CB ASN A 52 5.780 -11.146 5.995 1.00 1.00 C ATOM 822 CG ASN A 52 4.413 -11.781 6.211 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.474 -11.108 6.635 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.244 -13.049 5.947 1.00 1.00 N ATOM 0 HA ASN A 52 7.385 -10.724 7.372 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.686 -10.061 5.964 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.188 -11.458 5.034 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.332 -13.483 6.092 1.00 1.00 H new ATOM 0 HD22 ASN A 52 5.024 -13.605 5.596 1.00 1.00 H new ATOM 831 N ARG A 53 5.971 -11.065 9.376 1.00 1.00 N ATOM 832 CA ARG A 53 5.234 -11.310 10.608 1.00 1.00 C ATOM 833 C ARG A 53 3.772 -10.895 10.448 1.00 1.00 C ATOM 834 O ARG A 53 3.088 -10.581 11.424 1.00 1.00 O ATOM 835 CB ARG A 53 5.880 -10.533 11.762 1.00 1.00 C ATOM 836 CG ARG A 53 6.430 -11.518 12.796 1.00 1.00 C ATOM 837 CD ARG A 53 7.205 -10.753 13.869 1.00 1.00 C ATOM 838 NE ARG A 53 6.341 -9.765 14.506 1.00 1.00 N ATOM 839 CZ ARG A 53 6.849 -8.734 15.172 1.00 1.00 C ATOM 840 NH1 ARG A 53 8.143 -8.593 15.268 1.00 1.00 N ATOM 841 NH2 ARG A 53 6.054 -7.862 15.730 1.00 1.00 N ATOM 0 H ARG A 53 6.517 -10.203 9.370 1.00 1.00 H new ATOM 0 HA ARG A 53 5.267 -12.376 10.831 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.683 -9.900 11.384 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.146 -9.874 12.226 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.613 -12.077 13.252 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.081 -12.245 12.311 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.588 -11.448 14.616 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.067 -10.258 13.422 1.00 1.00 H new ATOM 0 HE ARG A 53 5.328 -9.868 14.439 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.764 -9.274 14.832 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.533 -7.801 15.779 1.00 1.00 H new ATOM 0 HH21 ARG A 53 5.043 -7.972 15.655 1.00 1.00 H new ATOM 0 HH22 ARG A 53 6.444 -7.070 16.241 1.00 1.00 H new ATOM 855 N GLY A 54 3.291 -10.906 9.207 1.00 1.00 N ATOM 856 CA GLY A 54 1.909 -10.536 8.930 1.00 1.00 C ATOM 857 C GLY A 54 1.787 -9.048 8.608 1.00 1.00 C ATOM 858 O GLY A 54 0.736 -8.444 8.816 1.00 1.00 O ATOM 0 H GLY A 54 3.835 -11.165 8.384 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.534 -11.124 8.092 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.286 -10.776 9.792 1.00 1.00 H new ATOM 862 N PHE A 55 2.869 -8.464 8.101 1.00 1.00 N ATOM 863 CA PHE A 55 2.869 -7.044 7.757 1.00 1.00 C ATOM 864 C PHE A 55 3.883 -6.752 6.651 1.00 1.00 C ATOM 865 O PHE A 55 4.939 -7.382 6.581 1.00 1.00 O ATOM 866 CB PHE A 55 3.208 -6.206 8.992 1.00 1.00 C ATOM 867 CG PHE A 55 2.297 -6.594 10.132 1.00 1.00 C ATOM 868 CD1 PHE A 55 2.645 -7.655 10.978 1.00 1.00 C ATOM 869 CD2 PHE A 55 1.105 -5.891 10.344 1.00 1.00 C ATOM 870 CE1 PHE A 55 1.801 -8.013 12.036 1.00 1.00 C ATOM 871 CE2 PHE A 55 0.261 -6.249 11.402 1.00 1.00 C ATOM 872 CZ PHE A 55 0.609 -7.310 12.249 1.00 1.00 C ATOM 0 H PHE A 55 3.750 -8.946 7.920 1.00 1.00 H new ATOM 0 HA PHE A 55 1.874 -6.782 7.398 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.249 -6.362 9.275 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.094 -5.146 8.767 1.00 1.00 H new ATOM 0 HD1 PHE A 55 3.565 -8.197 10.814 1.00 1.00 H new ATOM 0 HD2 PHE A 55 0.837 -5.073 9.692 1.00 1.00 H new ATOM 0 HE1 PHE A 55 2.069 -8.831 12.688 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -0.659 -5.707 11.566 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.042 -7.585 13.066 1.00 1.00 H new ATOM 882 N ALA A 56 3.552 -5.791 5.795 1.00 1.00 N ATOM 883 CA ALA A 56 4.435 -5.414 4.695 1.00 1.00 C ATOM 884 C ALA A 56 4.457 -3.896 4.533 1.00 1.00 C ATOM 885 O ALA A 56 3.417 -3.242 4.592 1.00 1.00 O ATOM 886 CB ALA A 56 3.953 -6.060 3.394 1.00 1.00 C ATOM 0 H ALA A 56 2.682 -5.260 5.840 1.00 1.00 H new ATOM 0 HA ALA A 56 5.443 -5.763 4.921 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.617 -5.774 2.578 1.00 1.00 H new ATOM 0 HB2 ALA A 56 3.958 -7.145 3.503 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.940 -5.722 3.173 1.00 1.00 H new ATOM 892 N PHE A 57 5.648 -3.343 4.329 1.00 1.00 N ATOM 893 CA PHE A 57 5.789 -1.899 4.162 1.00 1.00 C ATOM 894 C PHE A 57 5.939 -1.537 2.687 1.00 1.00 C ATOM 895 O PHE A 57 6.734 -2.141 1.968 1.00 1.00 O ATOM 896 CB PHE A 57 7.012 -1.403 4.937 1.00 1.00 C ATOM 897 CG PHE A 57 6.571 -0.760 6.229 1.00 1.00 C ATOM 898 CD1 PHE A 57 6.268 0.606 6.263 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.472 -1.529 7.395 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.864 1.204 7.464 1.00 1.00 C ATOM 901 CE2 PHE A 57 6.067 -0.932 8.594 1.00 1.00 C ATOM 902 CZ PHE A 57 5.763 0.435 8.629 1.00 1.00 C ATOM 0 H PHE A 57 6.522 -3.866 4.275 1.00 1.00 H new ATOM 0 HA PHE A 57 4.890 -1.419 4.550 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.684 -2.235 5.145 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.570 -0.686 4.335 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.346 1.199 5.364 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.708 -2.583 7.369 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.631 2.258 7.491 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.989 -1.525 9.493 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.451 0.895 9.555 1.00 1.00 H new ATOM 912 N VAL A 58 5.168 -0.547 2.247 1.00 1.00 N ATOM 913 CA VAL A 58 5.221 -0.110 0.855 1.00 1.00 C ATOM 914 C VAL A 58 5.152 1.413 0.772 1.00 1.00 C ATOM 915 O VAL A 58 4.241 2.030 1.324 1.00 1.00 O ATOM 916 CB VAL A 58 4.055 -0.713 0.065 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.585 -1.345 -1.223 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.358 -1.785 0.907 1.00 1.00 C ATOM 0 H VAL A 58 4.504 -0.036 2.828 1.00 1.00 H new ATOM 0 HA VAL A 58 6.163 -0.451 0.426 1.00 1.00 H new ATOM 0 HB VAL A 58 3.342 0.074 -0.179 1.00 1.00 H new ATOM 0 HG11 VAL A 58 3.756 -1.774 -1.786 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.077 -0.582 -1.827 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.300 -2.129 -0.976 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.530 -2.211 0.341 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.070 -2.572 1.156 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.978 -1.336 1.825 1.00 1.00 H new ATOM 928 N GLN A 59 6.115 2.011 0.072 1.00 1.00 N ATOM 929 CA GLN A 59 6.151 3.465 -0.085 1.00 1.00 C ATOM 930 C GLN A 59 5.890 3.843 -1.539 1.00 1.00 C ATOM 931 O GLN A 59 6.172 3.065 -2.449 1.00 1.00 O ATOM 932 CB GLN A 59 7.507 4.019 0.360 1.00 1.00 C ATOM 933 CG GLN A 59 7.623 5.482 -0.071 1.00 1.00 C ATOM 934 CD GLN A 59 8.735 6.172 0.713 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.805 6.580 0.086 1.00 1.00 O flip ATOM 936 NE2 GLN A 59 8.625 6.347 1.926 1.00 1.00 N flip ATOM 0 H GLN A 59 6.876 1.516 -0.393 1.00 1.00 H new ATOM 0 HA GLN A 59 5.372 3.899 0.542 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.608 3.938 1.442 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.314 3.433 -0.080 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.831 5.539 -1.139 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.676 5.995 0.097 1.00 1.00 H new ATOM 0 HE21 GLN A 59 7.788 6.027 2.414 1.00 1.00 H new ATOM 0 HE22 GLN A 59 9.371 6.812 2.444 1.00 1.00 H new ATOM 945 N LEU A 60 5.345 5.041 -1.748 1.00 1.00 N ATOM 946 CA LEU A 60 5.045 5.509 -3.099 1.00 1.00 C ATOM 947 C LEU A 60 6.023 6.610 -3.505 1.00 1.00 C ATOM 948 O LEU A 60 6.741 7.154 -2.666 1.00 1.00 O ATOM 949 CB LEU A 60 3.607 6.049 -3.163 1.00 1.00 C ATOM 950 CG LEU A 60 2.609 4.932 -3.507 1.00 1.00 C ATOM 951 CD1 LEU A 60 2.860 4.407 -4.924 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.741 3.776 -2.511 1.00 1.00 C ATOM 0 H LEU A 60 5.104 5.699 -1.007 1.00 1.00 H new ATOM 0 HA LEU A 60 5.145 4.670 -3.788 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.341 6.496 -2.205 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.545 6.839 -3.912 1.00 1.00 H new ATOM 0 HG LEU A 60 1.603 5.347 -3.450 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.145 3.617 -5.151 1.00 1.00 H new ATOM 0 HD12 LEU A 60 2.741 5.221 -5.640 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.873 4.010 -4.991 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.028 2.992 -2.767 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.753 3.374 -2.553 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.536 4.138 -1.504 1.00 1.00 H new ATOM 964 N SER A 61 6.051 6.928 -4.795 1.00 1.00 N ATOM 965 CA SER A 61 6.952 7.960 -5.301 1.00 1.00 C ATOM 966 C SER A 61 6.643 9.318 -4.675 1.00 1.00 C ATOM 967 O SER A 61 7.550 10.101 -4.396 1.00 1.00 O ATOM 968 CB SER A 61 6.829 8.060 -6.821 1.00 1.00 C ATOM 969 OG SER A 61 5.630 7.418 -7.238 1.00 1.00 O ATOM 0 H SER A 61 5.465 6.490 -5.506 1.00 1.00 H new ATOM 0 HA SER A 61 7.970 7.679 -5.032 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.821 9.106 -7.129 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.690 7.593 -7.299 1.00 1.00 H new ATOM 0 HG SER A 61 5.547 7.482 -8.212 1.00 1.00 H new ATOM 975 N SER A 62 5.359 9.586 -4.463 1.00 1.00 N ATOM 976 CA SER A 62 4.933 10.853 -3.875 1.00 1.00 C ATOM 977 C SER A 62 4.023 10.609 -2.675 1.00 1.00 C ATOM 978 O SER A 62 3.762 9.464 -2.304 1.00 1.00 O ATOM 979 CB SER A 62 4.190 11.688 -4.918 1.00 1.00 C ATOM 980 OG SER A 62 4.862 11.586 -6.166 1.00 1.00 O ATOM 0 H SER A 62 4.597 8.946 -4.688 1.00 1.00 H new ATOM 0 HA SER A 62 5.819 11.392 -3.541 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.162 11.338 -5.016 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.144 12.730 -4.601 1.00 1.00 H new ATOM 0 HG SER A 62 4.387 12.119 -6.838 1.00 1.00 H new ATOM 986 N ALA A 63 3.547 11.693 -2.071 1.00 1.00 N ATOM 987 CA ALA A 63 2.669 11.586 -0.911 1.00 1.00 C ATOM 988 C ALA A 63 1.213 11.437 -1.342 1.00 1.00 C ATOM 989 O ALA A 63 0.436 10.730 -0.701 1.00 1.00 O ATOM 990 CB ALA A 63 2.816 12.827 -0.029 1.00 1.00 C ATOM 0 H ALA A 63 3.752 12.649 -2.362 1.00 1.00 H new ATOM 0 HA ALA A 63 2.958 10.699 -0.347 1.00 1.00 H new ATOM 0 HB1 ALA A 63 2.157 12.739 0.835 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.849 12.913 0.309 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.547 13.714 -0.602 1.00 1.00 H new ATOM 996 N MET A 64 0.849 12.106 -2.431 1.00 1.00 N ATOM 997 CA MET A 64 -0.518 12.041 -2.935 1.00 1.00 C ATOM 998 C MET A 64 -0.818 10.658 -3.502 1.00 1.00 C ATOM 999 O MET A 64 -1.964 10.205 -3.487 1.00 1.00 O ATOM 1000 CB MET A 64 -0.731 13.095 -4.024 1.00 1.00 C ATOM 1001 CG MET A 64 0.394 14.131 -3.967 1.00 1.00 C ATOM 1002 SD MET A 64 -0.063 15.572 -4.964 1.00 1.00 S ATOM 1003 CE MET A 64 1.519 16.443 -4.842 1.00 1.00 C ATOM 0 H MET A 64 1.476 12.695 -2.978 1.00 1.00 H new ATOM 0 HA MET A 64 -1.195 12.237 -2.104 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.751 12.620 -5.005 1.00 1.00 H new ATOM 0 HB3 MET A 64 -1.696 13.584 -3.887 1.00 1.00 H new ATOM 0 HG2 MET A 64 0.574 14.432 -2.935 1.00 1.00 H new ATOM 0 HG3 MET A 64 1.322 13.697 -4.339 1.00 1.00 H new ATOM 0 HE1 MET A 64 1.462 17.380 -5.396 1.00 1.00 H new ATOM 0 HE2 MET A 64 1.739 16.653 -3.795 1.00 1.00 H new ATOM 0 HE3 MET A 64 2.310 15.821 -5.261 1.00 1.00 H new ATOM 1013 N ASP A 65 0.215 9.991 -4.004 1.00 1.00 N ATOM 1014 CA ASP A 65 0.045 8.660 -4.577 1.00 1.00 C ATOM 1015 C ASP A 65 -0.431 7.672 -3.517 1.00 1.00 C ATOM 1016 O ASP A 65 -1.207 6.760 -3.809 1.00 1.00 O ATOM 1017 CB ASP A 65 1.369 8.174 -5.172 1.00 1.00 C ATOM 1018 CG ASP A 65 1.383 8.412 -6.678 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.768 9.497 -7.082 1.00 1.00 O ATOM 1020 OD2 ASP A 65 1.007 7.509 -7.404 1.00 1.00 O ATOM 0 H ASP A 65 1.171 10.346 -4.026 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.708 8.720 -5.363 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.202 8.700 -4.705 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.504 7.113 -4.962 1.00 1.00 H new ATOM 1025 N ALA A 66 0.036 7.856 -2.286 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.352 6.969 -1.194 1.00 1.00 C ATOM 1027 C ALA A 66 -1.867 6.949 -1.033 1.00 1.00 C ATOM 1028 O ALA A 66 -2.486 5.885 -1.030 1.00 1.00 O ATOM 1029 CB ALA A 66 0.297 7.431 0.112 1.00 1.00 C ATOM 0 H ALA A 66 0.677 8.603 -2.021 1.00 1.00 H new ATOM 0 HA ALA A 66 -0.010 5.962 -1.431 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.002 6.763 0.921 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.382 7.414 0.005 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.029 8.445 0.341 1.00 1.00 H new ATOM 1035 N SER A 67 -2.461 8.129 -0.898 1.00 1.00 N ATOM 1036 CA SER A 67 -3.906 8.231 -0.737 1.00 1.00 C ATOM 1037 C SER A 67 -4.620 7.698 -1.975 1.00 1.00 C ATOM 1038 O SER A 67 -5.657 7.043 -1.872 1.00 1.00 O ATOM 1039 CB SER A 67 -4.303 9.688 -0.503 1.00 1.00 C ATOM 1040 OG SER A 67 -3.203 10.532 -0.821 1.00 1.00 O ATOM 0 H SER A 67 -1.969 9.022 -0.897 1.00 1.00 H new ATOM 0 HA SER A 67 -4.201 7.633 0.125 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.164 9.946 -1.120 1.00 1.00 H new ATOM 0 HB3 SER A 67 -4.600 9.834 0.536 1.00 1.00 H new ATOM 0 HG SER A 67 -2.965 10.417 -1.765 1.00 1.00 H new ATOM 1046 N GLN A 68 -4.057 7.986 -3.142 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.641 7.536 -4.396 1.00 1.00 C ATOM 1048 C GLN A 68 -4.651 6.014 -4.472 1.00 1.00 C ATOM 1049 O GLN A 68 -5.700 5.400 -4.667 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.840 8.103 -5.568 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.750 8.959 -6.448 1.00 1.00 C ATOM 1052 CD GLN A 68 -4.007 9.392 -7.706 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -3.626 8.554 -8.525 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -3.777 10.660 -7.914 1.00 1.00 N ATOM 0 H GLN A 68 -3.199 8.528 -3.245 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.670 7.893 -4.447 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.009 8.702 -5.197 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.410 7.291 -6.154 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.642 8.394 -6.719 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -5.084 9.836 -5.894 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.093 11.354 -7.236 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -3.282 10.957 -8.755 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.477 5.408 -4.322 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.369 3.953 -4.381 1.00 1.00 C ATOM 1065 C LEU A 69 -4.241 3.315 -3.305 1.00 1.00 C ATOM 1066 O LEU A 69 -4.671 2.170 -3.438 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.911 3.522 -4.186 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.587 2.347 -5.115 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.121 1.949 -4.942 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.478 1.154 -4.767 1.00 1.00 C ATOM 0 H LEU A 69 -2.595 5.895 -4.160 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.712 3.620 -5.361 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.244 4.358 -4.396 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.743 3.234 -3.148 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.767 2.646 -6.148 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.110 1.113 -5.603 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.518 2.796 -5.192 1.00 1.00 H new ATOM 0 HD13 LEU A 69 0.056 1.654 -3.908 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.245 0.320 -5.429 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.301 0.857 -3.733 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.524 1.433 -4.890 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.499 4.064 -2.240 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.323 3.556 -1.149 1.00 1.00 C ATOM 1084 C LEU A 70 -6.802 3.637 -1.515 1.00 1.00 C ATOM 1085 O LEU A 70 -7.582 2.746 -1.183 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.063 4.364 0.124 1.00 1.00 C ATOM 1087 CG LEU A 70 -5.564 3.587 1.344 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.373 2.976 2.084 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.309 4.538 2.283 1.00 1.00 C ATOM 0 H LEU A 70 -4.154 5.015 -2.108 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.060 2.513 -0.974 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -3.997 4.568 0.224 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.568 5.328 0.063 1.00 1.00 H new ATOM 0 HG LEU A 70 -6.237 2.794 1.017 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.729 2.423 2.953 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.838 2.299 1.417 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -3.701 3.770 2.410 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -6.666 3.986 3.152 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -5.635 5.330 2.609 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -7.158 4.977 1.758 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.180 4.712 -2.203 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.566 4.898 -2.610 1.00 1.00 C ATOM 1103 C GLN A 71 -8.858 4.124 -3.892 1.00 1.00 C ATOM 1104 O GLN A 71 -9.990 3.708 -4.133 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.846 6.387 -2.828 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.234 6.561 -3.443 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.902 7.810 -2.877 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -12.124 7.847 -2.723 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.171 8.843 -2.556 1.00 1.00 N ATOM 0 H GLN A 71 -6.549 5.461 -2.488 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.214 4.519 -1.820 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.787 6.921 -1.880 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.090 6.818 -3.484 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.153 6.641 -4.527 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.846 5.684 -3.233 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.160 8.811 -2.684 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.611 9.682 -2.177 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.828 3.935 -4.712 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.991 3.211 -5.968 1.00 1.00 C ATOM 1120 C ILE A 72 -8.225 1.726 -5.708 1.00 1.00 C ATOM 1121 O ILE A 72 -9.081 1.104 -6.338 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.747 3.389 -6.840 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.827 4.734 -7.568 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.675 2.259 -7.868 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.472 5.056 -8.201 1.00 1.00 C ATOM 0 H ILE A 72 -6.881 4.269 -4.532 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.859 3.617 -6.487 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.857 3.364 -6.212 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.599 4.698 -8.336 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.110 5.521 -6.869 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.788 2.387 -8.488 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.621 1.300 -7.352 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.565 2.283 -8.497 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.531 6.013 -8.719 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.711 5.110 -7.423 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.208 4.274 -8.913 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.464 1.160 -4.774 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.608 -0.255 -4.445 1.00 1.00 C ATOM 1139 C LEU A 73 -8.852 -0.485 -3.593 1.00 1.00 C ATOM 1140 O LEU A 73 -9.527 -1.506 -3.728 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.372 -0.753 -3.691 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.320 -2.282 -3.754 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.499 -2.720 -4.968 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.673 -2.828 -2.480 1.00 1.00 C ATOM 0 H LEU A 73 -6.750 1.653 -4.238 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.710 -0.812 -5.377 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.469 -0.329 -4.130 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.407 -0.422 -2.653 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.334 -2.671 -3.842 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.464 -3.809 -5.010 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -5.961 -2.337 -5.878 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.486 -2.327 -4.883 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.637 -3.916 -2.528 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.660 -2.435 -2.389 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.260 -2.522 -1.614 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.153 0.470 -2.719 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.327 0.355 -1.854 1.00 1.00 C ATOM 1158 C GLN A 74 -11.579 0.808 -2.598 1.00 1.00 C ATOM 1159 O GLN A 74 -12.696 0.641 -2.111 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.150 1.198 -0.589 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.008 0.625 0.255 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.794 1.489 1.494 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -8.560 2.693 1.380 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.867 0.944 2.677 1.00 1.00 N ATOM 0 H GLN A 74 -8.609 1.323 -2.590 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.437 -0.691 -1.569 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.934 2.232 -0.856 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.075 1.204 -0.012 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.240 -0.398 0.550 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.092 0.586 -0.335 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -9.061 -0.053 2.768 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.730 1.515 3.511 1.00 1.00 H new ATOM 1173 N SER A 75 -11.382 1.381 -3.782 1.00 1.00 N ATOM 1174 CA SER A 75 -12.501 1.853 -4.589 1.00 1.00 C ATOM 1175 C SER A 75 -13.232 0.674 -5.217 1.00 1.00 C ATOM 1176 O SER A 75 -14.427 0.755 -5.512 1.00 1.00 O ATOM 1177 CB SER A 75 -11.997 2.790 -5.686 1.00 1.00 C ATOM 1178 OG SER A 75 -12.054 4.133 -5.220 1.00 1.00 O ATOM 0 H SER A 75 -10.464 1.529 -4.201 1.00 1.00 H new ATOM 0 HA SER A 75 -13.192 2.396 -3.943 1.00 1.00 H new ATOM 0 HB2 SER A 75 -10.974 2.531 -5.960 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.605 2.678 -6.584 1.00 1.00 H new ATOM 0 HG SER A 75 -11.192 4.378 -4.823 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.511 -0.423 -5.414 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.102 -1.620 -6.003 1.00 1.00 C ATOM 1186 C LEU A 76 -14.073 -2.258 -5.015 1.00 1.00 C ATOM 1187 O LEU A 76 -13.797 -2.326 -3.817 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.008 -2.629 -6.376 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.016 -1.989 -7.353 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.895 -2.981 -7.666 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.736 -1.610 -8.651 1.00 1.00 C ATOM 0 H LEU A 76 -11.523 -0.510 -5.177 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.640 -1.334 -6.907 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.485 -2.959 -5.478 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.457 -3.514 -6.828 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.595 -1.092 -6.899 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.190 -2.525 -8.361 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.377 -3.247 -6.745 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.319 -3.879 -8.116 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.026 -1.155 -9.342 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.162 -2.505 -9.105 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.533 -0.900 -8.431 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.214 -2.714 -5.519 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.218 -3.335 -4.657 1.00 1.00 C ATOM 1205 C HIS A 77 -15.614 -4.483 -3.849 1.00 1.00 C ATOM 1206 O HIS A 77 -15.676 -4.471 -2.620 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.413 -3.834 -5.478 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.610 -2.976 -5.180 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.805 -1.741 -5.779 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.681 -3.157 -4.339 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -19.951 -1.231 -5.295 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.526 -2.053 -4.412 1.00 1.00 N ATOM 0 H HIS A 77 -15.467 -2.668 -6.506 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.571 -2.574 -3.961 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.180 -3.796 -6.542 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.627 -4.875 -5.235 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -19.843 -4.024 -3.716 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.358 -0.273 -5.585 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.396 -1.904 -3.902 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.029 -5.467 -4.495 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.407 -6.624 -3.784 1.00 1.00 C ATOM 1222 C PRO A 78 -13.039 -6.258 -3.187 1.00 1.00 C ATOM 1223 O PRO A 78 -12.101 -5.983 -3.934 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.240 -7.665 -4.890 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.080 -6.877 -6.146 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.891 -5.594 -5.960 1.00 1.00 C ATOM 0 HA PRO A 78 -15.011 -6.967 -2.944 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.371 -8.297 -4.708 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.107 -8.323 -4.946 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.030 -6.649 -6.330 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.439 -7.442 -7.007 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.379 -4.733 -6.389 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.863 -5.662 -6.448 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.891 -6.245 -1.876 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.586 -5.900 -1.234 1.00 1.00 C ATOM 1236 C PRO A 79 -10.423 -6.659 -1.869 1.00 1.00 C ATOM 1237 O PRO A 79 -10.615 -7.425 -2.814 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.772 -6.314 0.225 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.242 -6.266 0.471 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.925 -6.548 -0.868 1.00 1.00 C ATOM 0 HA PRO A 79 -11.340 -4.845 -1.350 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.377 -7.315 0.402 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.240 -5.639 0.895 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.533 -7.006 1.217 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.537 -5.291 0.857 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.255 -7.585 -0.936 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.808 -5.923 -1.004 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.222 -6.451 -1.342 1.00 1.00 N ATOM 1249 CA LEU A 80 -8.049 -7.133 -1.872 1.00 1.00 C ATOM 1250 C LEU A 80 -7.974 -8.544 -1.299 1.00 1.00 C ATOM 1251 O LEU A 80 -7.917 -8.722 -0.085 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.782 -6.347 -1.514 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.552 -7.006 -2.152 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.661 -6.960 -3.678 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.293 -6.253 -1.716 1.00 1.00 C ATOM 0 H LEU A 80 -9.036 -5.824 -0.559 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.127 -7.195 -2.957 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.873 -5.318 -1.861 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.663 -6.309 -0.431 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.497 -8.045 -1.828 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.783 -7.430 -4.120 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.557 -7.494 -3.995 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.721 -5.923 -4.007 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.416 -6.718 -2.167 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.360 -5.214 -2.040 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.205 -6.290 -0.630 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.986 -9.540 -2.184 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.931 -10.935 -1.753 1.00 1.00 C ATOM 1269 C LYS A 81 -6.734 -11.645 -2.372 1.00 1.00 C ATOM 1270 O LYS A 81 -6.602 -11.715 -3.595 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.228 -11.652 -2.147 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.279 -13.055 -1.511 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.395 -14.053 -2.280 1.00 1.00 C ATOM 1274 CE LYS A 81 -9.176 -15.352 -2.490 1.00 1.00 C ATOM 1275 NZ LYS A 81 -10.403 -15.069 -3.284 1.00 1.00 N ATOM 0 H LYS A 81 -8.033 -9.409 -3.194 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.821 -10.959 -0.669 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -10.088 -11.067 -1.822 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.290 -11.735 -3.232 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -8.949 -12.998 -0.474 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.308 -13.413 -1.498 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -8.100 -13.632 -3.241 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.479 -14.250 -1.724 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -8.555 -16.083 -3.008 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.445 -15.787 -1.527 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.567 -15.844 -3.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.219 -14.988 -2.645 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -10.281 -14.177 -3.805 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.872 -12.175 -1.514 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.684 -12.892 -1.962 1.00 1.00 C ATOM 1291 C ILE A 82 -4.700 -14.308 -1.396 1.00 1.00 C ATOM 1292 O ILE A 82 -4.977 -14.494 -0.211 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.425 -12.157 -1.488 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.404 -10.738 -2.073 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.176 -12.923 -1.931 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.717 -10.740 -3.443 1.00 1.00 C ATOM 0 H ILE A 82 -5.973 -12.122 -0.500 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.680 -12.939 -3.051 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.434 -12.095 -0.400 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -4.422 -10.362 -2.169 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -2.878 -10.065 -1.395 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.285 -12.395 -1.591 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -2.191 -13.924 -1.500 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -2.161 -12.996 -3.018 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.709 -9.728 -3.847 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.693 -11.096 -3.336 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -3.261 -11.397 -4.122 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.417 -15.295 -2.252 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.410 -16.698 -1.831 1.00 1.00 C ATOM 1310 C ASP A 83 -3.993 -16.828 -0.371 1.00 1.00 C ATOM 1311 O ASP A 83 -2.816 -16.692 -0.034 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.449 -17.501 -2.710 1.00 1.00 C ATOM 1313 CG ASP A 83 -4.051 -17.698 -4.098 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -5.177 -17.276 -4.299 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.376 -18.270 -4.938 1.00 1.00 O ATOM 0 H ASP A 83 -4.191 -15.149 -3.236 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.421 -17.090 -1.939 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.495 -16.980 -2.789 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.247 -18.469 -2.252 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.971 -17.081 0.492 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.706 -17.217 1.915 1.00 1.00 C ATOM 1322 C GLY A 84 -5.851 -16.632 2.738 1.00 1.00 C ATOM 1323 O GLY A 84 -6.476 -17.334 3.534 1.00 1.00 O ATOM 0 H GLY A 84 -5.950 -17.195 0.230 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.573 -18.269 2.166 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.775 -16.709 2.166 1.00 1.00 H new ATOM 1327 N LYS A 85 -6.118 -15.344 2.541 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.190 -14.676 3.274 1.00 1.00 C ATOM 1329 C LYS A 85 -7.405 -13.261 2.742 1.00 1.00 C ATOM 1330 O LYS A 85 -6.649 -12.782 1.899 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.846 -14.616 4.763 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.328 -14.517 4.933 1.00 1.00 C ATOM 1333 CD LYS A 85 -5.005 -13.876 6.284 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.652 -14.387 6.782 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.720 -15.864 6.974 1.00 1.00 N ATOM 0 H LYS A 85 -5.613 -14.747 1.887 1.00 1.00 H new ATOM 0 HA LYS A 85 -8.108 -15.247 3.136 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.331 -13.756 5.225 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.222 -15.505 5.270 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.880 -15.509 4.873 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.899 -13.924 4.125 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -4.982 -12.791 6.187 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.784 -14.115 7.007 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.870 -14.138 6.064 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.390 -13.899 7.721 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -3.164 -16.131 7.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.710 -16.151 7.110 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.333 -16.341 6.135 1.00 1.00 H new ATOM 1349 N THR A 86 -8.444 -12.600 3.244 1.00 1.00 N ATOM 1350 CA THR A 86 -8.756 -11.239 2.816 1.00 1.00 C ATOM 1351 C THR A 86 -7.628 -10.284 3.192 1.00 1.00 C ATOM 1352 O THR A 86 -7.018 -10.418 4.253 1.00 1.00 O ATOM 1353 CB THR A 86 -10.059 -10.773 3.465 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.367 -9.461 3.017 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.900 -10.770 4.987 1.00 1.00 C ATOM 0 H THR A 86 -9.081 -12.981 3.943 1.00 1.00 H new ATOM 0 HA THR A 86 -8.869 -11.238 1.732 1.00 1.00 H new ATOM 0 HB THR A 86 -10.866 -11.451 3.187 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.203 -9.162 3.431 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.829 -10.438 5.449 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.664 -11.777 5.330 1.00 1.00 H new ATOM 0 HG23 THR A 86 -9.093 -10.093 5.267 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.355 -9.323 2.312 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.295 -8.346 2.551 1.00 1.00 C ATOM 1365 C ILE A 87 -6.864 -6.929 2.585 1.00 1.00 C ATOM 1366 O ILE A 87 -7.634 -6.535 1.703 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.236 -8.450 1.450 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.649 -9.868 1.430 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.125 -7.428 1.706 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.462 -9.964 2.392 1.00 1.00 C ATOM 0 H ILE A 87 -7.851 -9.200 1.429 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.839 -8.561 3.517 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.697 -8.242 0.484 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.415 -10.590 1.713 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.329 -10.122 0.420 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.373 -7.504 0.921 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.548 -6.423 1.707 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.662 -7.628 2.673 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -3.055 -10.975 2.368 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.691 -9.255 2.090 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.794 -9.730 3.404 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.481 -6.171 3.613 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.958 -4.798 3.768 1.00 1.00 C ATOM 1384 C GLY A 88 -5.819 -3.793 3.611 1.00 1.00 C ATOM 1385 O GLY A 88 -4.644 -4.153 3.680 1.00 1.00 O ATOM 0 H GLY A 88 -5.845 -6.483 4.347 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.731 -4.594 3.027 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.418 -4.679 4.749 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.183 -2.529 3.401 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.197 -1.465 3.236 1.00 1.00 C ATOM 1391 C VAL A 89 -5.328 -0.442 4.363 1.00 1.00 C ATOM 1392 O VAL A 89 -6.437 -0.093 4.767 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.412 -0.769 1.892 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.075 -0.251 1.363 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -6.003 -1.763 0.890 1.00 1.00 C ATOM 0 H VAL A 89 -7.153 -2.218 3.341 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.199 -1.903 3.267 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.099 0.067 2.025 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.230 0.245 0.405 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.652 0.459 2.074 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.387 -1.086 1.232 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -6.156 -1.266 -0.068 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -5.317 -2.600 0.759 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.958 -2.132 1.264 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.194 0.035 4.866 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.206 1.018 5.945 1.00 1.00 C ATOM 1407 C ASP A 90 -3.058 2.012 5.786 1.00 1.00 C ATOM 1408 O ASP A 90 -2.134 1.787 5.006 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.088 0.313 7.297 1.00 1.00 C ATOM 1410 CG ASP A 90 -3.871 -1.183 7.088 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -2.742 -1.569 6.831 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -4.836 -1.920 7.193 1.00 1.00 O ATOM 0 H ASP A 90 -3.264 -0.239 4.549 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.149 1.563 5.899 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.258 0.734 7.865 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.992 0.479 7.883 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.123 3.110 6.534 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.085 4.131 6.472 1.00 1.00 C ATOM 1419 C PHE A 91 -0.954 3.800 7.440 1.00 1.00 C ATOM 1420 O PHE A 91 -1.056 2.863 8.232 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.674 5.496 6.831 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.221 6.167 5.592 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.359 6.520 4.547 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.592 6.437 5.490 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -2.867 7.144 3.401 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.099 7.061 4.343 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.237 7.414 3.299 1.00 1.00 C ATOM 0 H PHE A 91 -3.880 3.314 7.187 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.689 4.159 5.457 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.467 5.376 7.569 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -1.907 6.123 7.286 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.302 6.311 4.625 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.258 6.164 6.295 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.202 7.417 2.595 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.156 7.270 4.264 1.00 1.00 H new ATOM 0 HZ PHE A 91 -4.628 7.895 2.415 1.00 1.00 H new ATOM 1437 N ALA A 92 0.121 4.579 7.376 1.00 1.00 N ATOM 1438 CA ALA A 92 1.263 4.361 8.257 1.00 1.00 C ATOM 1439 C ALA A 92 0.916 4.757 9.689 1.00 1.00 C ATOM 1440 O ALA A 92 1.180 5.883 10.113 1.00 1.00 O ATOM 1441 CB ALA A 92 2.459 5.183 7.773 1.00 1.00 C ATOM 0 H ALA A 92 0.225 5.361 6.729 1.00 1.00 H new ATOM 0 HA ALA A 92 1.519 3.302 8.237 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.308 5.015 8.436 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.724 4.879 6.760 1.00 1.00 H new ATOM 0 HB3 ALA A 92 2.199 6.241 7.778 1.00 1.00 H new