USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 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 35 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.0264 K(o=-0.026,f=-3.3!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -110:sc= -0.994 (180deg=-4.17!) USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 21:sc= 0.211 USER MOD Single : A 9 MET CE :methyl 175:sc= -1.04 (180deg=-1.1) USER MOD Single : A 10 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 15 THR OG1 : rot -70:sc= -0.489 USER MOD Single : A 17 THR OG1 : rot -42:sc= 1.17 USER MOD Single : A 19 LYS NZ :NH3+ -101:sc= -0.0971 (180deg=-1.92!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00893 USER MOD Single : A 28 SER OG : rot -41:sc= 0.191 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.984 X(o=-0.98,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.41! X(o=-2.4!,f=-2.5) USER MOD Single : A 49 GLN : amide:sc= -5.75! C(o=-5.7!,f=-9.9!) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0363) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 50:sc= -0.362 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -172:sc= 1.16 USER MOD Single : A 68 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.031) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -78:sc= -4.27! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.710 9.863 -16.331 1.00 0.00 N ATOM 100 CA SER A 8 -5.748 10.523 -15.547 1.00 0.00 C ATOM 101 C SER A 8 -6.476 11.571 -16.383 1.00 0.00 C ATOM 102 O SER A 8 -5.945 12.067 -17.377 1.00 0.00 O ATOM 103 CB SER A 8 -5.140 11.177 -14.305 1.00 0.00 C ATOM 104 OG SER A 8 -4.276 10.281 -13.628 1.00 0.00 O ATOM 0 HA SER A 8 -6.469 9.768 -15.235 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.588 12.071 -14.594 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.936 11.498 -13.633 1.00 0.00 H new ATOM 0 HG SER A 8 -3.982 9.580 -14.246 1.00 0.00 H new ATOM 110 N MET A 9 -7.695 11.904 -15.973 1.00 0.00 N ATOM 111 CA MET A 9 -8.497 12.894 -16.683 1.00 0.00 C ATOM 112 C MET A 9 -9.487 13.570 -15.739 1.00 0.00 C ATOM 113 O MET A 9 -9.875 12.998 -14.721 1.00 0.00 O ATOM 114 CB MET A 9 -9.247 12.237 -17.843 1.00 0.00 C ATOM 115 CG MET A 9 -10.538 11.554 -17.423 1.00 0.00 C ATOM 116 SD MET A 9 -10.732 9.921 -18.163 1.00 0.00 S ATOM 117 CE MET A 9 -11.456 9.015 -16.798 1.00 0.00 C ATOM 0 H MET A 9 -8.150 11.503 -15.153 1.00 0.00 H new ATOM 0 HA MET A 9 -7.824 13.654 -17.080 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.474 12.994 -18.594 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.595 11.503 -18.317 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.559 11.461 -16.337 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.384 12.180 -17.706 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.718 8.009 -17.127 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.738 8.954 -15.980 1.00 0.00 H new ATOM 0 HE3 MET A 9 -12.354 9.530 -16.455 1.00 0.00 H new ATOM 127 N GLN A 10 -9.890 14.788 -16.085 1.00 0.00 N ATOM 128 CA GLN A 10 -10.834 15.541 -15.268 1.00 0.00 C ATOM 129 C GLN A 10 -12.261 15.352 -15.771 1.00 0.00 C ATOM 130 O GLN A 10 -12.522 15.431 -16.972 1.00 0.00 O ATOM 131 CB GLN A 10 -10.472 17.027 -15.271 1.00 0.00 C ATOM 132 CG GLN A 10 -10.861 17.750 -13.991 1.00 0.00 C ATOM 133 CD GLN A 10 -9.936 18.908 -13.671 1.00 0.00 C ATOM 134 OE1 GLN A 10 -9.224 18.889 -12.667 1.00 0.00 O ATOM 135 NE2 GLN A 10 -9.941 19.924 -14.526 1.00 0.00 N ATOM 0 H GLN A 10 -9.578 15.274 -16.925 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.775 15.162 -14.248 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.398 17.131 -15.425 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.963 17.511 -16.115 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.882 18.120 -14.083 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.852 17.043 -13.162 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.547 19.898 -15.346 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.338 20.731 -14.363 1.00 0.00 H new ATOM 144 N ILE A 11 -13.181 15.101 -14.845 1.00 0.00 N ATOM 145 CA ILE A 11 -14.582 14.901 -15.196 1.00 0.00 C ATOM 146 C ILE A 11 -15.485 15.846 -14.410 1.00 0.00 C ATOM 147 O ILE A 11 -15.051 16.480 -13.448 1.00 0.00 O ATOM 148 CB ILE A 11 -15.026 13.450 -14.936 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.040 13.159 -13.434 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.108 12.477 -15.661 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.470 11.749 -13.095 1.00 0.00 C ATOM 0 H ILE A 11 -12.982 15.031 -13.847 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.675 15.115 -16.261 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.037 13.321 -15.321 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.043 13.333 -13.029 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.711 13.863 -12.942 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.435 11.455 -15.467 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.144 12.673 -16.733 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.086 12.605 -15.303 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.456 11.615 -12.013 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.479 11.576 -13.469 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.785 11.039 -13.558 1.00 0.00 H new ATOM 163 N PHE A 12 -16.744 15.934 -14.825 1.00 0.00 N ATOM 164 CA PHE A 12 -17.710 16.800 -14.160 1.00 0.00 C ATOM 165 C PHE A 12 -18.778 15.977 -13.446 1.00 0.00 C ATOM 166 O PHE A 12 -19.395 15.091 -14.039 1.00 0.00 O ATOM 167 CB PHE A 12 -18.367 17.740 -15.173 1.00 0.00 C ATOM 168 CG PHE A 12 -17.391 18.638 -15.878 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.664 19.582 -15.171 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.202 18.539 -17.247 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.766 20.411 -15.817 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.305 19.365 -17.898 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.585 20.301 -17.182 1.00 0.00 C ATOM 0 H PHE A 12 -17.119 15.416 -15.619 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.177 17.393 -13.417 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.902 17.146 -15.914 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.108 18.353 -14.660 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.800 19.671 -14.103 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.762 17.808 -17.812 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.206 21.144 -15.255 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.167 19.278 -18.966 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.882 20.946 -17.688 1.00 0.00 H new ATOM 183 N VAL A 13 -18.991 16.275 -12.168 1.00 0.00 N ATOM 184 CA VAL A 13 -19.984 15.564 -11.372 1.00 0.00 C ATOM 185 C VAL A 13 -20.949 16.535 -10.703 1.00 0.00 C ATOM 186 O VAL A 13 -20.533 17.515 -10.083 1.00 0.00 O ATOM 187 CB VAL A 13 -19.317 14.693 -10.291 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.362 13.880 -9.541 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.268 13.783 -10.912 1.00 0.00 C ATOM 0 H VAL A 13 -18.489 17.004 -11.662 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.537 14.921 -12.056 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.819 15.349 -9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -19.872 13.271 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.073 14.554 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -20.890 13.232 -10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.807 13.175 -10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.740 13.133 -11.648 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.504 14.388 -11.400 1.00 0.00 H new ATOM 199 N LYS A 14 -22.243 16.258 -10.830 1.00 0.00 N ATOM 200 CA LYS A 14 -23.270 17.105 -10.236 1.00 0.00 C ATOM 201 C LYS A 14 -23.728 16.545 -8.893 1.00 0.00 C ATOM 202 O LYS A 14 -23.952 15.342 -8.754 1.00 0.00 O ATOM 203 CB LYS A 14 -24.466 17.232 -11.183 1.00 0.00 C ATOM 204 CG LYS A 14 -24.272 18.273 -12.271 1.00 0.00 C ATOM 205 CD LYS A 14 -23.201 17.852 -13.263 1.00 0.00 C ATOM 206 CE LYS A 14 -23.065 18.855 -14.397 1.00 0.00 C ATOM 207 NZ LYS A 14 -22.898 20.246 -13.891 1.00 0.00 N ATOM 0 H LYS A 14 -22.605 15.452 -11.340 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.840 18.093 -10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.655 16.264 -11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.353 17.486 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.214 18.431 -12.797 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.996 19.226 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.246 17.752 -12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.447 16.872 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.209 18.589 -15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.948 18.804 -15.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.756 20.796 -14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.740 20.225 -12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.082 20.690 -14.358 1.00 0.00 H new ATOM 221 N THR A 15 -23.866 17.425 -7.906 1.00 0.00 N ATOM 222 CA THR A 15 -24.298 17.019 -6.575 1.00 0.00 C ATOM 223 C THR A 15 -25.801 17.206 -6.403 1.00 0.00 C ATOM 224 O THR A 15 -26.490 17.652 -7.322 1.00 0.00 O ATOM 225 CB THR A 15 -23.564 17.814 -5.479 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.891 19.205 -5.581 1.00 0.00 O ATOM 227 CG2 THR A 15 -22.058 17.632 -5.595 1.00 0.00 C ATOM 0 H THR A 15 -23.685 18.424 -8.004 1.00 0.00 H new ATOM 0 HA THR A 15 -24.053 15.962 -6.472 1.00 0.00 H new ATOM 0 HB THR A 15 -23.886 17.435 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.475 19.581 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.561 18.203 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.810 16.576 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.723 17.987 -6.570 1.00 0.00 H new ATOM 235 N LEU A 16 -26.304 16.864 -5.222 1.00 0.00 N ATOM 236 CA LEU A 16 -27.727 16.996 -4.930 1.00 0.00 C ATOM 237 C LEU A 16 -28.104 18.457 -4.706 1.00 0.00 C ATOM 238 O LEU A 16 -29.273 18.831 -4.810 1.00 0.00 O ATOM 239 CB LEU A 16 -28.093 16.168 -3.696 1.00 0.00 C ATOM 240 CG LEU A 16 -27.443 16.600 -2.381 1.00 0.00 C ATOM 241 CD1 LEU A 16 -28.271 17.684 -1.707 1.00 0.00 C ATOM 242 CD2 LEU A 16 -27.269 15.406 -1.455 1.00 0.00 C ATOM 0 H LEU A 16 -25.748 16.493 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.285 16.624 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -29.175 16.199 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.824 15.129 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.457 17.009 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.793 17.979 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.344 18.549 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -29.270 17.302 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.805 15.732 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -28.243 14.967 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.634 14.662 -1.936 1.00 0.00 H new ATOM 254 N THR A 17 -27.106 19.280 -4.400 1.00 0.00 N ATOM 255 CA THR A 17 -27.332 20.700 -4.163 1.00 0.00 C ATOM 256 C THR A 17 -27.108 21.512 -5.433 1.00 0.00 C ATOM 257 O THR A 17 -26.848 22.713 -5.376 1.00 0.00 O ATOM 258 CB THR A 17 -26.409 21.239 -3.054 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.713 22.612 -2.787 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.947 21.106 -3.454 1.00 0.00 C ATOM 0 H THR A 17 -26.133 18.987 -4.311 1.00 0.00 H new ATOM 0 HA THR A 17 -28.369 20.805 -3.845 1.00 0.00 H new ATOM 0 HB THR A 17 -26.578 20.649 -2.153 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.857 23.086 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 17 -24.315 21.493 -2.655 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.711 20.056 -3.627 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.766 21.673 -4.367 1.00 0.00 H new ATOM 268 N GLY A 18 -27.211 20.848 -6.581 1.00 0.00 N ATOM 269 CA GLY A 18 -27.017 21.525 -7.850 1.00 0.00 C ATOM 270 C GLY A 18 -25.631 22.125 -7.981 1.00 0.00 C ATOM 271 O GLY A 18 -25.426 23.077 -8.735 1.00 0.00 O ATOM 0 H GLY A 18 -27.425 19.853 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.182 20.819 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.762 22.313 -7.955 1.00 0.00 H new ATOM 275 N LYS A 19 -24.675 21.569 -7.244 1.00 0.00 N ATOM 276 CA LYS A 19 -23.301 22.055 -7.280 1.00 0.00 C ATOM 277 C LYS A 19 -22.413 21.117 -8.092 1.00 0.00 C ATOM 278 O LYS A 19 -22.490 19.895 -7.952 1.00 0.00 O ATOM 279 CB LYS A 19 -22.749 22.192 -5.859 1.00 0.00 C ATOM 280 CG LYS A 19 -21.289 22.606 -5.811 1.00 0.00 C ATOM 281 CD LYS A 19 -20.367 21.399 -5.785 1.00 0.00 C ATOM 282 CE LYS A 19 -19.905 21.080 -4.372 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.453 20.750 -4.324 1.00 0.00 N ATOM 0 H LYS A 19 -24.827 20.781 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.301 23.034 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.344 22.926 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.865 21.241 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.057 23.224 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.113 23.219 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.885 20.536 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.500 21.588 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.105 21.933 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.481 20.241 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.333 19.718 -4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.987 21.109 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.024 21.192 -3.486 1.00 0.00 H new ATOM 297 N THR A 20 -21.569 21.695 -8.941 1.00 0.00 N ATOM 298 CA THR A 20 -20.667 20.911 -9.775 1.00 0.00 C ATOM 299 C THR A 20 -19.289 20.793 -9.134 1.00 0.00 C ATOM 300 O THR A 20 -18.644 21.800 -8.838 1.00 0.00 O ATOM 301 CB THR A 20 -20.518 21.530 -11.177 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.722 22.214 -11.541 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.205 20.458 -12.211 1.00 0.00 C ATOM 0 H THR A 20 -21.491 22.704 -9.069 1.00 0.00 H new ATOM 0 HA THR A 20 -21.107 19.918 -9.870 1.00 0.00 H new ATOM 0 HB THR A 20 -19.691 22.240 -11.151 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.618 22.606 -12.433 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.104 20.919 -13.194 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.273 19.959 -11.947 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.014 19.728 -12.234 1.00 0.00 H new ATOM 311 N ILE A 21 -18.842 19.560 -8.924 1.00 0.00 N ATOM 312 CA ILE A 21 -17.539 19.312 -8.320 1.00 0.00 C ATOM 313 C ILE A 21 -16.595 18.637 -9.308 1.00 0.00 C ATOM 314 O ILE A 21 -16.973 17.689 -9.998 1.00 0.00 O ATOM 315 CB ILE A 21 -17.660 18.434 -7.061 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.271 18.076 -6.527 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.456 17.175 -7.367 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.766 16.735 -7.010 1.00 0.00 C ATOM 0 H ILE A 21 -19.363 18.717 -9.163 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.132 20.283 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.190 18.997 -6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.565 18.850 -6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.299 18.074 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.532 16.565 -6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.455 17.449 -7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.952 16.607 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.777 16.547 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.451 15.951 -6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.706 16.739 -8.098 1.00 0.00 H new ATOM 330 N THR A 22 -15.361 19.129 -9.371 1.00 0.00 N ATOM 331 CA THR A 22 -14.362 18.574 -10.274 1.00 0.00 C ATOM 332 C THR A 22 -13.706 17.335 -9.674 1.00 0.00 C ATOM 333 O THR A 22 -13.286 17.342 -8.516 1.00 0.00 O ATOM 334 CB THR A 22 -13.270 19.608 -10.609 1.00 0.00 C ATOM 335 OG1 THR A 22 -13.792 20.934 -10.470 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.750 19.407 -12.024 1.00 0.00 C ATOM 0 H THR A 22 -15.030 19.911 -8.806 1.00 0.00 H new ATOM 0 HA THR A 22 -14.884 18.298 -11.190 1.00 0.00 H new ATOM 0 HB THR A 22 -12.443 19.469 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.091 21.585 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.980 20.149 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.326 18.407 -12.117 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.570 19.521 -12.733 1.00 0.00 H new ATOM 344 N LEU A 23 -13.620 16.274 -10.467 1.00 0.00 N ATOM 345 CA LEU A 23 -13.014 15.027 -10.014 1.00 0.00 C ATOM 346 C LEU A 23 -12.067 14.466 -11.070 1.00 0.00 C ATOM 347 O LEU A 23 -12.309 14.600 -12.269 1.00 0.00 O ATOM 348 CB LEU A 23 -14.098 13.998 -9.688 1.00 0.00 C ATOM 349 CG LEU A 23 -13.779 13.023 -8.554 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.578 13.771 -7.246 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.885 11.987 -8.414 1.00 0.00 C ATOM 0 H LEU A 23 -13.962 16.252 -11.428 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.439 15.239 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.013 14.532 -9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.305 13.421 -10.589 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.852 12.505 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.352 13.060 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.750 14.472 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.487 14.318 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.641 11.302 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.828 12.488 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.980 11.428 -9.345 1.00 0.00 H new ATOM 363 N GLU A 24 -10.988 13.836 -10.615 1.00 0.00 N ATOM 364 CA GLU A 24 -10.005 13.254 -11.522 1.00 0.00 C ATOM 365 C GLU A 24 -10.004 11.731 -11.418 1.00 0.00 C ATOM 366 O GLU A 24 -9.917 11.172 -10.324 1.00 0.00 O ATOM 367 CB GLU A 24 -8.609 13.798 -11.214 1.00 0.00 C ATOM 368 CG GLU A 24 -7.484 12.919 -11.734 1.00 0.00 C ATOM 369 CD GLU A 24 -6.237 13.709 -12.079 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.373 14.838 -12.595 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.125 13.198 -11.832 1.00 0.00 O ATOM 0 H GLU A 24 -10.773 13.716 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.278 13.532 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.512 14.793 -11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.502 13.910 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.238 12.169 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.826 12.383 -12.619 1.00 0.00 H new ATOM 378 N VAL A 25 -10.101 11.065 -12.564 1.00 0.00 N ATOM 379 CA VAL A 25 -10.111 9.608 -12.603 1.00 0.00 C ATOM 380 C VAL A 25 -9.347 9.086 -13.815 1.00 0.00 C ATOM 381 O VAL A 25 -8.927 9.859 -14.676 1.00 0.00 O ATOM 382 CB VAL A 25 -11.548 9.057 -12.640 1.00 0.00 C ATOM 383 CG1 VAL A 25 -11.642 7.756 -11.856 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.528 10.087 -12.098 1.00 0.00 C ATOM 0 H VAL A 25 -10.174 11.512 -13.478 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.622 9.264 -11.692 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.812 8.849 -13.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.665 7.382 -11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.969 7.018 -12.293 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.359 7.935 -10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.539 9.680 -12.132 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.268 10.329 -11.067 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.480 10.990 -12.706 1.00 0.00 H new ATOM 394 N GLU A 26 -9.172 7.769 -13.876 1.00 0.00 N ATOM 395 CA GLU A 26 -8.459 7.144 -14.983 1.00 0.00 C ATOM 396 C GLU A 26 -9.432 6.472 -15.947 1.00 0.00 C ATOM 397 O GLU A 26 -10.547 6.099 -15.583 1.00 0.00 O ATOM 398 CB GLU A 26 -7.454 6.117 -14.457 1.00 0.00 C ATOM 399 CG GLU A 26 -6.746 6.555 -13.185 1.00 0.00 C ATOM 400 CD GLU A 26 -5.777 5.510 -12.668 1.00 0.00 C ATOM 401 OE1 GLU A 26 -5.007 4.959 -13.482 1.00 0.00 O ATOM 402 OE2 GLU A 26 -5.789 5.242 -11.448 1.00 0.00 O ATOM 0 H GLU A 26 -9.514 7.115 -13.172 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.922 7.924 -15.522 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.973 5.177 -14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.709 5.922 -15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.207 7.483 -13.375 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.488 6.769 -12.416 1.00 0.00 H new ATOM 409 N PRO A 27 -9.001 6.314 -17.208 1.00 0.00 N ATOM 410 CA PRO A 27 -9.818 5.687 -18.251 1.00 0.00 C ATOM 411 C PRO A 27 -10.001 4.190 -18.022 1.00 0.00 C ATOM 412 O PRO A 27 -10.914 3.576 -18.573 1.00 0.00 O ATOM 413 CB PRO A 27 -9.015 5.938 -19.529 1.00 0.00 C ATOM 414 CG PRO A 27 -7.607 6.092 -19.068 1.00 0.00 C ATOM 415 CD PRO A 27 -7.683 6.736 -17.712 1.00 0.00 C ATOM 0 HA PRO A 27 -10.828 6.096 -18.279 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.114 5.108 -20.228 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.362 6.833 -20.046 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.106 5.125 -19.013 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.035 6.708 -19.761 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.877 6.398 -17.061 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.606 7.821 -17.778 1.00 0.00 H new ATOM 423 N SER A 28 -9.127 3.610 -17.205 1.00 0.00 N ATOM 424 CA SER A 28 -9.191 2.184 -16.906 1.00 0.00 C ATOM 425 C SER A 28 -9.627 1.951 -15.463 1.00 0.00 C ATOM 426 O SER A 28 -9.647 0.816 -14.985 1.00 0.00 O ATOM 427 CB SER A 28 -7.830 1.529 -17.152 1.00 0.00 C ATOM 428 OG SER A 28 -7.951 0.120 -17.241 1.00 0.00 O ATOM 0 H SER A 28 -8.367 4.105 -16.739 1.00 0.00 H new ATOM 0 HA SER A 28 -9.929 1.731 -17.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.396 1.919 -18.073 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.147 1.788 -16.343 1.00 0.00 H new ATOM 0 HG SER A 28 -8.577 -0.198 -16.557 1.00 0.00 H new ATOM 434 N ASP A 29 -9.976 3.032 -14.775 1.00 0.00 N ATOM 435 CA ASP A 29 -10.414 2.947 -13.387 1.00 0.00 C ATOM 436 C ASP A 29 -11.859 2.467 -13.301 1.00 0.00 C ATOM 437 O ASP A 29 -12.666 2.729 -14.194 1.00 0.00 O ATOM 438 CB ASP A 29 -10.273 4.306 -12.701 1.00 0.00 C ATOM 439 CG ASP A 29 -8.916 4.490 -12.051 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.970 3.775 -12.443 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.799 5.347 -11.150 1.00 0.00 O ATOM 0 H ASP A 29 -9.964 3.978 -15.156 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.779 2.223 -12.876 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.432 5.097 -13.434 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.051 4.410 -11.945 1.00 0.00 H new ATOM 446 N THR A 30 -12.180 1.761 -12.221 1.00 0.00 N ATOM 447 CA THR A 30 -13.527 1.242 -12.019 1.00 0.00 C ATOM 448 C THR A 30 -14.364 2.197 -11.176 1.00 0.00 C ATOM 449 O THR A 30 -13.849 3.178 -10.638 1.00 0.00 O ATOM 450 CB THR A 30 -13.501 -0.139 -11.338 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.875 -0.040 -10.054 1.00 0.00 O ATOM 452 CG2 THR A 30 -12.756 -1.151 -12.194 1.00 0.00 C ATOM 0 H THR A 30 -11.525 1.536 -11.472 1.00 0.00 H new ATOM 0 HA THR A 30 -13.979 1.143 -13.006 1.00 0.00 H new ATOM 0 HB THR A 30 -14.530 -0.478 -11.215 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.864 -0.922 -9.627 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.751 -2.119 -11.692 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.252 -1.246 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.730 -0.815 -12.344 1.00 0.00 H new ATOM 460 N ILE A 31 -15.655 1.904 -11.063 1.00 0.00 N ATOM 461 CA ILE A 31 -16.561 2.737 -10.283 1.00 0.00 C ATOM 462 C ILE A 31 -16.028 2.957 -8.872 1.00 0.00 C ATOM 463 O ILE A 31 -16.302 3.982 -8.247 1.00 0.00 O ATOM 464 CB ILE A 31 -17.966 2.112 -10.197 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.528 1.870 -11.599 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.897 3.010 -9.395 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.586 3.119 -12.451 1.00 0.00 C ATOM 0 H ILE A 31 -16.097 1.096 -11.502 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.629 3.696 -10.797 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.889 1.152 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.914 1.124 -12.104 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.531 1.452 -11.512 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.886 2.555 -9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.502 3.136 -8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.971 3.983 -9.880 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.995 2.872 -13.431 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.223 3.860 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.582 3.526 -12.569 1.00 0.00 H new ATOM 479 N GLU A 32 -15.263 1.989 -8.376 1.00 0.00 N ATOM 480 CA GLU A 32 -14.690 2.079 -7.038 1.00 0.00 C ATOM 481 C GLU A 32 -13.708 3.243 -6.944 1.00 0.00 C ATOM 482 O GLU A 32 -13.591 3.887 -5.902 1.00 0.00 O ATOM 483 CB GLU A 32 -13.985 0.771 -6.673 1.00 0.00 C ATOM 484 CG GLU A 32 -14.827 -0.467 -6.928 1.00 0.00 C ATOM 485 CD GLU A 32 -14.275 -1.700 -6.240 1.00 0.00 C ATOM 486 OE1 GLU A 32 -13.298 -2.281 -6.757 1.00 0.00 O ATOM 487 OE2 GLU A 32 -14.820 -2.084 -5.184 1.00 0.00 O ATOM 0 H GLU A 32 -15.026 1.135 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.503 2.255 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.060 0.695 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.707 0.800 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.845 -0.287 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.883 -0.649 -8.001 1.00 0.00 H new ATOM 494 N ASN A 33 -13.005 3.507 -8.040 1.00 0.00 N ATOM 495 CA ASN A 33 -12.032 4.592 -8.082 1.00 0.00 C ATOM 496 C ASN A 33 -12.729 5.949 -8.057 1.00 0.00 C ATOM 497 O ASN A 33 -12.334 6.849 -7.315 1.00 0.00 O ATOM 498 CB ASN A 33 -11.161 4.477 -9.334 1.00 0.00 C ATOM 499 CG ASN A 33 -9.888 3.692 -9.083 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.661 2.644 -9.688 1.00 0.00 O ATOM 501 ND2 ASN A 33 -9.049 4.196 -8.185 1.00 0.00 N ATOM 0 H ASN A 33 -13.091 2.984 -8.912 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.398 4.512 -7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.732 3.994 -10.127 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.905 5.476 -9.688 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.177 3.711 -7.974 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.277 5.068 -7.707 1.00 0.00 H new ATOM 508 N VAL A 34 -13.769 6.089 -8.873 1.00 0.00 N ATOM 509 CA VAL A 34 -14.523 7.334 -8.944 1.00 0.00 C ATOM 510 C VAL A 34 -14.985 7.777 -7.560 1.00 0.00 C ATOM 511 O VAL A 34 -14.799 8.930 -7.170 1.00 0.00 O ATOM 512 CB VAL A 34 -15.752 7.195 -9.863 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.553 8.488 -9.883 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.323 6.802 -11.269 1.00 0.00 C ATOM 0 H VAL A 34 -14.108 5.355 -9.494 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.852 8.087 -9.358 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.392 6.406 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.417 8.371 -10.537 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.891 8.722 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.926 9.299 -10.253 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.203 6.708 -11.905 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.662 7.568 -11.675 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.796 5.848 -11.235 1.00 0.00 H new ATOM 524 N LYS A 35 -15.589 6.853 -6.821 1.00 0.00 N ATOM 525 CA LYS A 35 -16.077 7.146 -5.478 1.00 0.00 C ATOM 526 C LYS A 35 -14.919 7.449 -4.532 1.00 0.00 C ATOM 527 O LYS A 35 -15.076 8.188 -3.561 1.00 0.00 O ATOM 528 CB LYS A 35 -16.893 5.968 -4.941 1.00 0.00 C ATOM 529 CG LYS A 35 -17.247 6.093 -3.470 1.00 0.00 C ATOM 530 CD LYS A 35 -17.985 4.864 -2.967 1.00 0.00 C ATOM 531 CE LYS A 35 -17.045 3.679 -2.800 1.00 0.00 C ATOM 532 NZ LYS A 35 -16.456 3.627 -1.433 1.00 0.00 N ATOM 0 H LYS A 35 -15.753 5.895 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.716 8.027 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.812 5.879 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.330 5.047 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.337 6.236 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.866 6.977 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.461 5.089 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.780 4.604 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.588 2.754 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.245 3.743 -3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.033 2.691 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.722 4.358 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.201 3.796 -0.727 1.00 0.00 H new ATOM 546 N ALA A 36 -13.757 6.874 -4.824 1.00 0.00 N ATOM 547 CA ALA A 36 -12.572 7.085 -4.001 1.00 0.00 C ATOM 548 C ALA A 36 -12.260 8.571 -3.860 1.00 0.00 C ATOM 549 O ALA A 36 -11.930 9.046 -2.773 1.00 0.00 O ATOM 550 CB ALA A 36 -11.380 6.348 -4.593 1.00 0.00 C ATOM 0 H ALA A 36 -13.611 6.259 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.775 6.686 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.502 6.514 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.597 5.281 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.185 6.720 -5.599 1.00 0.00 H new ATOM 556 N LYS A 37 -12.366 9.301 -4.965 1.00 0.00 N ATOM 557 CA LYS A 37 -12.096 10.734 -4.965 1.00 0.00 C ATOM 558 C LYS A 37 -13.253 11.505 -4.339 1.00 0.00 C ATOM 559 O LYS A 37 -13.055 12.567 -3.747 1.00 0.00 O ATOM 560 CB LYS A 37 -11.854 11.228 -6.393 1.00 0.00 C ATOM 561 CG LYS A 37 -10.711 10.517 -7.097 1.00 0.00 C ATOM 562 CD LYS A 37 -9.368 10.877 -6.485 1.00 0.00 C ATOM 563 CE LYS A 37 -8.292 9.874 -6.871 1.00 0.00 C ATOM 564 NZ LYS A 37 -7.082 10.000 -6.012 1.00 0.00 N ATOM 0 H LYS A 37 -12.637 8.923 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.200 10.910 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.767 11.095 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.645 12.298 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.861 9.439 -7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.713 10.782 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.073 11.873 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.460 10.914 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.692 8.863 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.014 10.023 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.372 9.299 -6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.685 10.956 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.342 9.832 -5.019 1.00 0.00 H new ATOM 578 N ILE A 38 -14.459 10.965 -4.472 1.00 0.00 N ATOM 579 CA ILE A 38 -15.647 11.602 -3.916 1.00 0.00 C ATOM 580 C ILE A 38 -15.584 11.647 -2.393 1.00 0.00 C ATOM 581 O ILE A 38 -16.127 12.557 -1.767 1.00 0.00 O ATOM 582 CB ILE A 38 -16.932 10.869 -4.344 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.095 10.926 -5.864 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.143 11.476 -3.653 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.330 12.323 -6.395 1.00 0.00 C ATOM 0 H ILE A 38 -14.640 10.088 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.672 12.619 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.854 9.824 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.202 10.513 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.931 10.290 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.043 10.947 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.027 11.388 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.227 12.528 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.436 12.287 -7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.240 12.731 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.484 12.958 -6.134 1.00 0.00 H new ATOM 597 N GLN A 39 -14.917 10.659 -1.804 1.00 0.00 N ATOM 598 CA GLN A 39 -14.783 10.587 -0.354 1.00 0.00 C ATOM 599 C GLN A 39 -14.197 11.881 0.204 1.00 0.00 C ATOM 600 O GLN A 39 -14.537 12.302 1.310 1.00 0.00 O ATOM 601 CB GLN A 39 -13.899 9.402 0.040 1.00 0.00 C ATOM 602 CG GLN A 39 -14.506 8.051 -0.301 1.00 0.00 C ATOM 603 CD GLN A 39 -15.363 7.496 0.820 1.00 0.00 C ATOM 604 OE1 GLN A 39 -15.854 8.241 1.668 1.00 0.00 O ATOM 605 NE2 GLN A 39 -15.546 6.181 0.830 1.00 0.00 N ATOM 0 H GLN A 39 -14.462 9.898 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.777 10.447 0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.936 9.495 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.706 9.444 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.111 8.146 -1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.707 7.345 -0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.120 5.601 0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.113 5.750 1.561 1.00 0.00 H new ATOM 614 N ASP A 40 -13.316 12.506 -0.569 1.00 0.00 N ATOM 615 CA ASP A 40 -12.683 13.752 -0.152 1.00 0.00 C ATOM 616 C ASP A 40 -13.633 14.932 -0.336 1.00 0.00 C ATOM 617 O ASP A 40 -13.490 15.965 0.317 1.00 0.00 O ATOM 618 CB ASP A 40 -11.398 13.987 -0.949 1.00 0.00 C ATOM 619 CG ASP A 40 -10.524 15.062 -0.333 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.120 14.900 0.838 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.242 16.064 -1.022 1.00 0.00 O ATOM 0 H ASP A 40 -13.024 12.171 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.436 13.669 0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.835 13.055 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.654 14.271 -1.970 1.00 0.00 H new ATOM 626 N LYS A 41 -14.602 14.770 -1.230 1.00 0.00 N ATOM 627 CA LYS A 41 -15.577 15.821 -1.500 1.00 0.00 C ATOM 628 C LYS A 41 -16.685 15.817 -0.452 1.00 0.00 C ATOM 629 O LYS A 41 -17.003 16.853 0.130 1.00 0.00 O ATOM 630 CB LYS A 41 -16.179 15.639 -2.895 1.00 0.00 C ATOM 631 CG LYS A 41 -15.160 15.248 -3.951 1.00 0.00 C ATOM 632 CD LYS A 41 -14.123 16.340 -4.157 1.00 0.00 C ATOM 633 CE LYS A 41 -12.892 15.811 -4.876 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.653 16.517 -4.448 1.00 0.00 N ATOM 0 H LYS A 41 -14.734 13.921 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.062 16.781 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.955 14.874 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.664 16.568 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.663 14.324 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.670 15.047 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.561 17.155 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.832 16.754 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.788 14.744 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.022 15.926 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.837 16.127 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.742 17.532 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.514 16.386 -3.426 1.00 0.00 H new ATOM 648 N GLU A 42 -17.268 14.646 -0.217 1.00 0.00 N ATOM 649 CA GLU A 42 -18.340 14.509 0.761 1.00 0.00 C ATOM 650 C GLU A 42 -17.974 13.485 1.831 1.00 0.00 C ATOM 651 O GLU A 42 -18.326 13.638 3.000 1.00 0.00 O ATOM 652 CB GLU A 42 -19.642 14.098 0.070 1.00 0.00 C ATOM 653 CG GLU A 42 -20.251 15.197 -0.784 1.00 0.00 C ATOM 654 CD GLU A 42 -20.534 16.460 0.004 1.00 0.00 C ATOM 655 OE1 GLU A 42 -20.892 16.348 1.195 1.00 0.00 O ATOM 656 OE2 GLU A 42 -20.398 17.561 -0.569 1.00 0.00 O ATOM 0 H GLU A 42 -17.016 13.779 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.482 15.476 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.452 13.226 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.365 13.795 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.574 15.430 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.178 14.835 -1.228 1.00 0.00 H new ATOM 663 N GLY A 43 -17.263 12.438 1.421 1.00 0.00 N ATOM 664 CA GLY A 43 -16.860 11.403 2.355 1.00 0.00 C ATOM 665 C GLY A 43 -18.016 10.514 2.768 1.00 0.00 C ATOM 666 O GLY A 43 -18.473 10.570 3.910 1.00 0.00 O ATOM 0 H GLY A 43 -16.959 12.289 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.080 10.792 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.427 11.866 3.242 1.00 0.00 H new ATOM 670 N ILE A 44 -18.490 9.693 1.838 1.00 0.00 N ATOM 671 CA ILE A 44 -19.600 8.788 2.112 1.00 0.00 C ATOM 672 C ILE A 44 -19.226 7.345 1.790 1.00 0.00 C ATOM 673 O ILE A 44 -18.386 7.072 0.933 1.00 0.00 O ATOM 674 CB ILE A 44 -20.853 9.174 1.304 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.487 9.415 -0.162 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.510 10.409 1.902 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.687 9.638 -1.056 1.00 0.00 C ATOM 0 H ILE A 44 -18.123 9.635 0.888 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.822 8.874 3.176 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.565 8.350 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.830 10.283 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -19.922 8.559 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.394 10.669 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.802 10.203 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.806 11.241 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.352 9.802 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.334 8.762 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.241 10.511 -0.711 1.00 0.00 H new ATOM 689 N PRO A 45 -19.864 6.398 2.493 1.00 0.00 N ATOM 690 CA PRO A 45 -19.617 4.966 2.298 1.00 0.00 C ATOM 691 C PRO A 45 -20.141 4.464 0.958 1.00 0.00 C ATOM 692 O PRO A 45 -20.894 5.147 0.263 1.00 0.00 O ATOM 693 CB PRO A 45 -20.384 4.314 3.451 1.00 0.00 C ATOM 694 CG PRO A 45 -21.458 5.288 3.791 1.00 0.00 C ATOM 695 CD PRO A 45 -20.878 6.651 3.531 1.00 0.00 C ATOM 0 HA PRO A 45 -18.552 4.733 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.802 3.352 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.733 4.129 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.346 5.119 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.762 5.186 4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.638 7.352 3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.434 7.077 4.431 1.00 0.00 H new ATOM 703 N PRO A 46 -19.737 3.241 0.583 1.00 0.00 N ATOM 704 CA PRO A 46 -20.156 2.620 -0.677 1.00 0.00 C ATOM 705 C PRO A 46 -21.632 2.238 -0.672 1.00 0.00 C ATOM 706 O PRO A 46 -22.246 2.083 -1.728 1.00 0.00 O ATOM 707 CB PRO A 46 -19.279 1.368 -0.763 1.00 0.00 C ATOM 708 CG PRO A 46 -18.934 1.049 0.650 1.00 0.00 C ATOM 709 CD PRO A 46 -18.841 2.370 1.362 1.00 0.00 C ATOM 0 HA PRO A 46 -20.041 3.297 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.812 0.543 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.384 1.552 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.695 0.414 1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.990 0.507 0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.161 2.290 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.820 2.750 1.372 1.00 0.00 H new ATOM 717 N ASP A 47 -22.196 2.087 0.521 1.00 0.00 N ATOM 718 CA ASP A 47 -23.601 1.724 0.663 1.00 0.00 C ATOM 719 C ASP A 47 -24.501 2.930 0.412 1.00 0.00 C ATOM 720 O ASP A 47 -25.606 2.792 -0.112 1.00 0.00 O ATOM 721 CB ASP A 47 -23.865 1.157 2.058 1.00 0.00 C ATOM 722 CG ASP A 47 -23.785 2.217 3.139 1.00 0.00 C ATOM 723 OD1 ASP A 47 -24.758 2.986 3.289 1.00 0.00 O ATOM 724 OD2 ASP A 47 -22.751 2.277 3.835 1.00 0.00 O ATOM 0 H ASP A 47 -21.701 2.210 1.404 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.831 0.960 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -24.852 0.695 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.141 0.370 2.270 1.00 0.00 H new ATOM 729 N GLN A 48 -24.021 4.110 0.790 1.00 0.00 N ATOM 730 CA GLN A 48 -24.783 5.339 0.607 1.00 0.00 C ATOM 731 C GLN A 48 -24.422 6.013 -0.713 1.00 0.00 C ATOM 732 O GLN A 48 -25.217 6.766 -1.274 1.00 0.00 O ATOM 733 CB GLN A 48 -24.530 6.300 1.770 1.00 0.00 C ATOM 734 CG GLN A 48 -25.777 7.033 2.236 1.00 0.00 C ATOM 735 CD GLN A 48 -25.458 8.326 2.960 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.327 8.543 3.397 1.00 0.00 O ATOM 737 NE2 GLN A 48 -26.454 9.193 3.092 1.00 0.00 N ATOM 0 H GLN A 48 -23.108 4.241 1.225 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.841 5.079 0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.113 5.741 2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.780 7.031 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.409 7.250 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -26.350 6.383 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.376 8.972 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.298 10.080 3.571 1.00 0.00 H new ATOM 746 N GLN A 49 -23.217 5.737 -1.202 1.00 0.00 N ATOM 747 CA GLN A 49 -22.750 6.318 -2.455 1.00 0.00 C ATOM 748 C GLN A 49 -23.325 5.565 -3.651 1.00 0.00 C ATOM 749 O GLN A 49 -23.323 4.334 -3.682 1.00 0.00 O ATOM 750 CB GLN A 49 -21.222 6.299 -2.513 1.00 0.00 C ATOM 751 CG GLN A 49 -20.652 6.954 -3.761 1.00 0.00 C ATOM 752 CD GLN A 49 -20.303 8.413 -3.547 1.00 0.00 C ATOM 753 OE1 GLN A 49 -19.388 8.740 -2.791 1.00 0.00 O ATOM 754 NE2 GLN A 49 -21.032 9.300 -4.213 1.00 0.00 N ATOM 0 H GLN A 49 -22.547 5.115 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 49 -23.095 7.351 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.827 6.807 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.878 5.266 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.759 6.413 -4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -21.376 6.873 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -21.781 8.985 -4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.843 10.297 -4.109 1.00 0.00 H new ATOM 763 N ARG A 50 -23.816 6.313 -4.634 1.00 0.00 N ATOM 764 CA ARG A 50 -24.395 5.716 -5.832 1.00 0.00 C ATOM 765 C ARG A 50 -24.270 6.660 -7.024 1.00 0.00 C ATOM 766 O ARG A 50 -24.797 7.773 -7.007 1.00 0.00 O ATOM 767 CB ARG A 50 -25.866 5.370 -5.594 1.00 0.00 C ATOM 768 CG ARG A 50 -26.084 3.955 -5.083 1.00 0.00 C ATOM 769 CD ARG A 50 -25.641 2.919 -6.104 1.00 0.00 C ATOM 770 NE ARG A 50 -26.180 1.594 -5.808 1.00 0.00 N ATOM 771 CZ ARG A 50 -25.664 0.468 -6.287 1.00 0.00 C ATOM 772 NH1 ARG A 50 -24.602 0.506 -7.080 1.00 0.00 N ATOM 773 NH2 ARG A 50 -26.210 -0.700 -5.973 1.00 0.00 N ATOM 0 H ARG A 50 -23.824 7.333 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.845 4.802 -6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.285 6.075 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.416 5.500 -6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.530 3.813 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -27.139 3.810 -4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -25.964 3.228 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -24.552 2.871 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 50 -26.997 1.530 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -24.179 1.402 -7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -24.208 -0.360 -7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -27.027 -0.734 -5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.813 -1.564 -6.342 1.00 0.00 H new ATOM 787 N LEU A 51 -23.568 6.208 -8.058 1.00 0.00 N ATOM 788 CA LEU A 51 -23.373 7.012 -9.260 1.00 0.00 C ATOM 789 C LEU A 51 -24.426 6.681 -10.313 1.00 0.00 C ATOM 790 O LEU A 51 -24.765 5.516 -10.521 1.00 0.00 O ATOM 791 CB LEU A 51 -21.973 6.779 -9.831 1.00 0.00 C ATOM 792 CG LEU A 51 -20.894 7.767 -9.387 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.954 7.981 -7.882 1.00 0.00 C ATOM 794 CD2 LEU A 51 -19.516 7.275 -9.803 1.00 0.00 C ATOM 0 H LEU A 51 -23.125 5.290 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.477 8.062 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.653 5.774 -9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -22.037 6.806 -10.919 1.00 0.00 H new ATOM 0 HG LEU A 51 -21.079 8.723 -9.877 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.179 8.687 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.932 8.379 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.794 7.031 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -18.761 7.991 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.321 6.307 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -19.478 7.174 -10.888 1.00 0.00 H new ATOM 806 N ILE A 52 -24.937 7.713 -10.976 1.00 0.00 N ATOM 807 CA ILE A 52 -25.948 7.531 -12.010 1.00 0.00 C ATOM 808 C ILE A 52 -25.461 8.059 -13.354 1.00 0.00 C ATOM 809 O ILE A 52 -25.044 9.212 -13.467 1.00 0.00 O ATOM 810 CB ILE A 52 -27.265 8.239 -11.640 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.580 8.035 -10.156 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.405 7.723 -12.505 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.648 6.580 -9.748 1.00 0.00 C ATOM 0 H ILE A 52 -24.667 8.684 -10.816 1.00 0.00 H new ATOM 0 HA ILE A 52 -26.130 6.459 -12.088 1.00 0.00 H new ATOM 0 HB ILE A 52 -27.150 9.307 -11.824 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.818 8.536 -9.559 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.532 8.514 -9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -29.329 8.233 -12.232 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -28.181 7.915 -13.554 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.523 6.651 -12.350 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.875 6.511 -8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.429 6.078 -10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.689 6.101 -9.946 1.00 0.00 H new ATOM 825 N PHE A 53 -25.517 7.209 -14.374 1.00 0.00 N ATOM 826 CA PHE A 53 -25.082 7.590 -15.712 1.00 0.00 C ATOM 827 C PHE A 53 -26.157 7.266 -16.746 1.00 0.00 C ATOM 828 O PHE A 53 -26.581 6.118 -16.877 1.00 0.00 O ATOM 829 CB PHE A 53 -23.780 6.871 -16.072 1.00 0.00 C ATOM 830 CG PHE A 53 -22.945 7.612 -17.077 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.368 8.830 -16.754 1.00 0.00 C ATOM 832 CD2 PHE A 53 -22.736 7.091 -18.343 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.599 9.514 -17.677 1.00 0.00 C ATOM 834 CE2 PHE A 53 -21.968 7.770 -19.270 1.00 0.00 C ATOM 835 CZ PHE A 53 -21.398 8.983 -18.936 1.00 0.00 C ATOM 0 H PHE A 53 -25.860 6.251 -14.299 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.909 8.666 -15.718 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.194 6.721 -15.165 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.017 5.883 -16.466 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.521 9.249 -15.771 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -23.179 6.142 -18.609 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.156 10.463 -17.414 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -21.814 7.353 -20.254 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.796 9.515 -19.658 1.00 0.00 H new ATOM 845 N ALA A 54 -26.593 8.287 -17.477 1.00 0.00 N ATOM 846 CA ALA A 54 -27.616 8.112 -18.500 1.00 0.00 C ATOM 847 C ALA A 54 -28.851 7.422 -17.929 1.00 0.00 C ATOM 848 O ALA A 54 -29.397 6.502 -18.537 1.00 0.00 O ATOM 849 CB ALA A 54 -27.060 7.317 -19.673 1.00 0.00 C ATOM 0 H ALA A 54 -26.253 9.244 -17.379 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.914 9.099 -18.853 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.835 7.194 -20.429 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.213 7.850 -20.105 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.733 6.337 -19.326 1.00 0.00 H new ATOM 855 N GLY A 55 -29.286 7.873 -16.756 1.00 0.00 N ATOM 856 CA GLY A 55 -30.452 7.287 -16.123 1.00 0.00 C ATOM 857 C GLY A 55 -30.238 5.835 -15.744 1.00 0.00 C ATOM 858 O GLY A 55 -31.197 5.094 -15.526 1.00 0.00 O ATOM 0 H GLY A 55 -28.851 8.634 -16.233 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.703 7.859 -15.230 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.304 7.361 -16.799 1.00 0.00 H new ATOM 862 N LYS A 56 -28.977 5.425 -15.666 1.00 0.00 N ATOM 863 CA LYS A 56 -28.638 4.052 -15.311 1.00 0.00 C ATOM 864 C LYS A 56 -27.631 4.018 -14.166 1.00 0.00 C ATOM 865 O LYS A 56 -26.563 4.624 -14.250 1.00 0.00 O ATOM 866 CB LYS A 56 -28.071 3.314 -16.526 1.00 0.00 C ATOM 867 CG LYS A 56 -27.713 1.865 -16.245 1.00 0.00 C ATOM 868 CD LYS A 56 -28.955 1.017 -16.026 1.00 0.00 C ATOM 869 CE LYS A 56 -29.611 0.639 -17.345 1.00 0.00 C ATOM 870 NZ LYS A 56 -28.860 -0.436 -18.051 1.00 0.00 N ATOM 0 H LYS A 56 -28.172 6.025 -15.844 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.550 3.553 -14.984 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.801 3.349 -17.335 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.182 3.838 -16.876 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.139 1.463 -17.080 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -27.074 1.811 -15.363 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -28.688 0.113 -15.479 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -29.667 1.565 -15.408 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -30.633 0.307 -17.160 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -29.673 1.519 -17.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -29.415 -0.771 -18.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -27.949 -0.061 -18.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -28.690 -1.227 -17.398 1.00 0.00 H new ATOM 884 N GLN A 57 -27.977 3.305 -13.100 1.00 0.00 N ATOM 885 CA GLN A 57 -27.101 3.192 -11.939 1.00 0.00 C ATOM 886 C GLN A 57 -25.787 2.514 -12.313 1.00 0.00 C ATOM 887 O GLN A 57 -25.777 1.502 -13.015 1.00 0.00 O ATOM 888 CB GLN A 57 -27.795 2.408 -10.824 1.00 0.00 C ATOM 889 CG GLN A 57 -28.167 0.988 -11.220 1.00 0.00 C ATOM 890 CD GLN A 57 -29.050 0.308 -10.192 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.274 0.437 -10.226 1.00 0.00 O ATOM 892 NE2 GLN A 57 -28.432 -0.422 -9.271 1.00 0.00 N ATOM 0 H GLN A 57 -28.857 2.797 -13.015 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.881 4.198 -11.582 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.140 2.374 -9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.697 2.941 -10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.682 1.006 -12.181 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.258 0.403 -11.356 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -27.415 -0.501 -9.281 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -28.974 -0.904 -8.554 1.00 0.00 H new ATOM 901 N LEU A 58 -24.681 3.077 -11.840 1.00 0.00 N ATOM 902 CA LEU A 58 -23.360 2.527 -12.124 1.00 0.00 C ATOM 903 C LEU A 58 -22.948 1.520 -11.055 1.00 0.00 C ATOM 904 O LEU A 58 -23.325 1.649 -9.890 1.00 0.00 O ATOM 905 CB LEU A 58 -22.326 3.650 -12.209 1.00 0.00 C ATOM 906 CG LEU A 58 -22.627 4.766 -13.210 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.501 5.788 -13.226 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.846 4.190 -14.601 1.00 0.00 C ATOM 0 H LEU A 58 -24.672 3.914 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.407 2.012 -13.083 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.221 4.095 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.362 3.210 -12.465 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.542 5.269 -12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.733 6.574 -13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.392 6.224 -12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.570 5.299 -13.512 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.059 4.999 -15.300 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.949 3.661 -14.921 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.688 3.498 -14.580 1.00 0.00 H new ATOM 920 N GLU A 59 -22.171 0.520 -11.459 1.00 0.00 N ATOM 921 CA GLU A 59 -21.707 -0.507 -10.534 1.00 0.00 C ATOM 922 C GLU A 59 -20.273 -0.919 -10.853 1.00 0.00 C ATOM 923 O GLU A 59 -19.806 -0.758 -11.981 1.00 0.00 O ATOM 924 CB GLU A 59 -22.625 -1.730 -10.592 1.00 0.00 C ATOM 925 CG GLU A 59 -22.982 -2.157 -12.006 1.00 0.00 C ATOM 926 CD GLU A 59 -23.784 -3.443 -12.043 1.00 0.00 C ATOM 927 OE1 GLU A 59 -23.211 -4.508 -11.730 1.00 0.00 O ATOM 928 OE2 GLU A 59 -24.984 -3.385 -12.385 1.00 0.00 O ATOM 0 H GLU A 59 -21.850 0.399 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.732 -0.090 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.140 -2.562 -10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.542 -1.512 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.553 -1.363 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -22.067 -2.287 -12.584 1.00 0.00 H new ATOM 935 N ASP A 60 -19.579 -1.450 -9.853 1.00 0.00 N ATOM 936 CA ASP A 60 -18.198 -1.886 -10.026 1.00 0.00 C ATOM 937 C ASP A 60 -18.094 -2.937 -11.126 1.00 0.00 C ATOM 938 O ASP A 60 -19.088 -3.284 -11.764 1.00 0.00 O ATOM 939 CB ASP A 60 -17.650 -2.448 -8.713 1.00 0.00 C ATOM 940 CG ASP A 60 -18.032 -3.899 -8.500 1.00 0.00 C ATOM 941 OD1 ASP A 60 -19.130 -4.151 -7.958 1.00 0.00 O ATOM 942 OD2 ASP A 60 -17.235 -4.784 -8.875 1.00 0.00 O ATOM 0 H ASP A 60 -19.950 -1.589 -8.913 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.603 -1.020 -10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.564 -2.357 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.024 -1.851 -7.881 1.00 0.00 H new ATOM 947 N GLY A 61 -16.883 -3.440 -11.345 1.00 0.00 N ATOM 948 CA GLY A 61 -16.671 -4.446 -12.369 1.00 0.00 C ATOM 949 C GLY A 61 -16.107 -3.860 -13.649 1.00 0.00 C ATOM 950 O GLY A 61 -15.055 -4.288 -14.124 1.00 0.00 O ATOM 0 H GLY A 61 -16.045 -3.169 -10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.989 -5.208 -11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.616 -4.944 -12.586 1.00 0.00 H new ATOM 954 N ARG A 62 -16.809 -2.880 -14.208 1.00 0.00 N ATOM 955 CA ARG A 62 -16.374 -2.237 -15.442 1.00 0.00 C ATOM 956 C ARG A 62 -15.625 -0.941 -15.145 1.00 0.00 C ATOM 957 O ARG A 62 -15.641 -0.446 -14.018 1.00 0.00 O ATOM 958 CB ARG A 62 -17.576 -1.949 -16.344 1.00 0.00 C ATOM 959 CG ARG A 62 -17.992 -3.133 -17.201 1.00 0.00 C ATOM 960 CD ARG A 62 -18.687 -4.203 -16.374 1.00 0.00 C ATOM 961 NE ARG A 62 -19.467 -5.117 -17.205 1.00 0.00 N ATOM 962 CZ ARG A 62 -20.673 -4.829 -17.682 1.00 0.00 C ATOM 963 NH1 ARG A 62 -21.234 -3.658 -17.412 1.00 0.00 N ATOM 964 NH2 ARG A 62 -21.319 -5.713 -18.431 1.00 0.00 N ATOM 0 H ARG A 62 -17.681 -2.514 -13.826 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.697 -2.918 -15.958 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.420 -1.645 -15.724 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.338 -1.107 -16.994 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.659 -2.793 -17.993 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.113 -3.559 -17.685 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.942 -4.769 -15.814 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.342 -3.728 -15.644 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.064 -6.026 -17.431 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.739 -2.976 -16.837 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -22.160 -3.439 -17.779 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.890 -6.614 -18.641 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.245 -5.492 -18.797 1.00 0.00 H new ATOM 978 N THR A 63 -14.969 -0.396 -16.165 1.00 0.00 N ATOM 979 CA THR A 63 -14.212 0.841 -16.013 1.00 0.00 C ATOM 980 C THR A 63 -14.988 2.031 -16.566 1.00 0.00 C ATOM 981 O THR A 63 -15.942 1.863 -17.327 1.00 0.00 O ATOM 982 CB THR A 63 -12.849 0.756 -16.724 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.178 2.019 -16.650 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.022 0.352 -18.180 1.00 0.00 C ATOM 0 H THR A 63 -14.947 -0.792 -17.105 1.00 0.00 H new ATOM 0 HA THR A 63 -14.048 0.982 -14.945 1.00 0.00 H new ATOM 0 HB THR A 63 -12.249 -0.003 -16.222 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.182 2.338 -15.723 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.045 0.299 -18.661 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.506 -0.623 -18.232 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.639 1.091 -18.692 1.00 0.00 H new ATOM 992 N LEU A 64 -14.573 3.232 -16.181 1.00 0.00 N ATOM 993 CA LEU A 64 -15.228 4.452 -16.640 1.00 0.00 C ATOM 994 C LEU A 64 -15.344 4.469 -18.161 1.00 0.00 C ATOM 995 O LEU A 64 -16.389 4.816 -18.710 1.00 0.00 O ATOM 996 CB LEU A 64 -14.454 5.681 -16.162 1.00 0.00 C ATOM 997 CG LEU A 64 -14.639 6.061 -14.692 1.00 0.00 C ATOM 998 CD1 LEU A 64 -13.642 7.137 -14.290 1.00 0.00 C ATOM 999 CD2 LEU A 64 -16.064 6.530 -14.438 1.00 0.00 C ATOM 0 H LEU A 64 -13.785 3.388 -15.552 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.232 4.476 -16.217 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.393 5.510 -16.341 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.748 6.532 -16.776 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.455 5.177 -14.082 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.788 7.395 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.628 6.765 -14.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.795 8.023 -14.906 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.178 6.796 -13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.276 7.401 -15.058 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.760 5.729 -14.687 1.00 0.00 H new ATOM 1011 N SER A 65 -14.263 4.090 -18.835 1.00 0.00 N ATOM 1012 CA SER A 65 -14.243 4.063 -20.293 1.00 0.00 C ATOM 1013 C SER A 65 -15.324 3.133 -20.835 1.00 0.00 C ATOM 1014 O SER A 65 -15.897 3.382 -21.895 1.00 0.00 O ATOM 1015 CB SER A 65 -12.869 3.615 -20.797 1.00 0.00 C ATOM 1016 OG SER A 65 -12.872 3.446 -22.204 1.00 0.00 O ATOM 0 H SER A 65 -13.390 3.798 -18.395 1.00 0.00 H new ATOM 0 HA SER A 65 -14.443 5.072 -20.653 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.117 4.353 -20.518 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.589 2.678 -20.316 1.00 0.00 H new ATOM 0 HG SER A 65 -11.983 3.161 -22.501 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.595 2.060 -20.099 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.607 1.091 -20.506 1.00 0.00 C ATOM 1024 C GLU A 66 -18.011 1.645 -20.283 1.00 0.00 C ATOM 1025 O GLU A 66 -18.965 1.233 -20.944 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.433 -0.217 -19.731 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.443 -1.176 -20.369 1.00 0.00 C ATOM 1028 CD GLU A 66 -16.005 -1.862 -21.599 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.858 -2.760 -21.439 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -15.592 -1.502 -22.721 1.00 0.00 O ATOM 0 H GLU A 66 -15.129 1.839 -19.219 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.478 0.894 -21.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.102 0.012 -18.718 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.401 -0.711 -19.646 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.540 -0.631 -20.643 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.151 -1.930 -19.638 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.130 2.580 -19.348 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.417 3.189 -19.035 1.00 0.00 C ATOM 1039 C TYR A 67 -19.643 4.446 -19.869 1.00 0.00 C ATOM 1040 O TYR A 67 -20.546 5.234 -19.593 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.495 3.531 -17.546 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.910 2.365 -16.677 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.058 1.636 -16.962 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.156 1.994 -15.572 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.442 0.570 -16.171 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.531 0.929 -14.776 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.675 0.220 -15.080 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.053 -0.841 -14.289 1.00 0.00 O ATOM 0 H TYR A 67 -17.350 2.933 -18.793 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.199 2.469 -19.277 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.522 3.893 -17.214 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.203 4.348 -17.406 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.660 1.907 -17.816 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.261 2.548 -15.330 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.338 0.014 -16.406 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.932 0.653 -13.921 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.480 -0.877 -13.495 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.814 4.625 -20.893 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.922 5.786 -21.769 1.00 0.00 C ATOM 1060 C ASN A 68 -18.647 7.075 -21.001 1.00 0.00 C ATOM 1061 O ASN A 68 -19.063 8.157 -21.416 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.313 5.845 -22.404 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.749 4.505 -22.966 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -21.707 3.900 -22.485 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -20.045 4.035 -23.989 1.00 0.00 N ATOM 0 H ASN A 68 -18.061 3.981 -21.136 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.174 5.686 -22.556 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -21.036 6.176 -21.659 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.314 6.588 -23.201 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.291 3.138 -24.408 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.258 4.571 -24.356 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.943 6.951 -19.881 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.611 8.106 -19.056 1.00 0.00 C ATOM 1074 C ILE A 69 -16.247 8.674 -19.430 1.00 0.00 C ATOM 1075 O ILE A 69 -15.216 8.042 -19.198 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.613 7.747 -17.558 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.992 7.239 -17.134 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.206 8.952 -16.724 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.948 6.261 -15.981 1.00 0.00 C ATOM 0 H ILE A 69 -17.592 6.062 -19.524 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.378 8.858 -19.242 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.887 6.952 -17.389 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.613 8.090 -16.855 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.472 6.760 -17.988 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.212 8.682 -15.668 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.204 9.272 -17.011 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -17.910 9.767 -16.895 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.961 5.943 -15.735 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.354 5.392 -16.263 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.497 6.742 -15.113 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.248 9.871 -20.007 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.010 10.525 -20.412 1.00 0.00 C ATOM 1093 C GLN A 70 -14.731 11.748 -19.544 1.00 0.00 C ATOM 1094 O GLN A 70 -15.377 11.954 -18.516 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.082 10.936 -21.884 1.00 0.00 C ATOM 1096 CG GLN A 70 -15.550 9.820 -22.804 1.00 0.00 C ATOM 1097 CD GLN A 70 -15.786 10.295 -24.224 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -14.925 10.147 -25.092 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -16.958 10.869 -24.469 1.00 0.00 N ATOM 0 H GLN A 70 -17.093 10.408 -20.205 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.194 9.814 -20.280 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.758 11.785 -21.983 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.097 11.273 -22.207 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.806 9.023 -22.810 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.472 9.392 -22.410 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.642 10.971 -23.720 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.174 11.208 -25.407 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.765 12.558 -19.964 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.400 13.761 -19.226 1.00 0.00 C ATOM 1110 C LYS A 71 -14.520 14.795 -19.284 1.00 0.00 C ATOM 1111 O LYS A 71 -14.497 15.789 -18.559 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.110 14.359 -19.792 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.273 14.956 -21.179 1.00 0.00 C ATOM 1114 CD LYS A 71 -10.969 14.920 -21.958 1.00 0.00 C ATOM 1115 CE LYS A 71 -10.067 16.088 -21.591 1.00 0.00 C ATOM 1116 NZ LYS A 71 -8.920 16.221 -22.531 1.00 0.00 N ATOM 0 H LYS A 71 -13.220 12.403 -20.812 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.239 13.484 -18.184 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.749 15.132 -19.113 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.345 13.583 -19.827 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.039 14.406 -21.725 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.619 15.986 -21.094 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.451 13.982 -21.758 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.182 14.945 -23.027 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.648 17.010 -21.595 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.691 15.952 -20.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.330 17.028 -22.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.351 15.351 -22.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.278 16.377 -23.495 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.499 14.553 -20.151 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.627 15.464 -20.301 1.00 0.00 C ATOM 1132 C GLU A 72 -17.945 14.751 -20.011 1.00 0.00 C ATOM 1133 O GLU A 72 -18.987 15.099 -20.566 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.653 16.050 -21.715 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.578 17.095 -21.960 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.678 17.724 -23.336 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -16.538 18.609 -23.523 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -14.895 17.330 -24.226 1.00 0.00 O ATOM 0 H GLU A 72 -15.533 13.735 -20.759 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.505 16.273 -19.581 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.533 15.242 -22.436 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.630 16.497 -21.896 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.655 17.874 -21.202 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.597 16.635 -21.846 1.00 0.00 H new ATOM 1145 N SER A 73 -17.889 13.751 -19.137 1.00 0.00 N ATOM 1146 CA SER A 73 -19.076 12.985 -18.775 1.00 0.00 C ATOM 1147 C SER A 73 -19.784 13.614 -17.578 1.00 0.00 C ATOM 1148 O SER A 73 -19.160 14.279 -16.751 1.00 0.00 O ATOM 1149 CB SER A 73 -18.698 11.538 -18.455 1.00 0.00 C ATOM 1150 OG SER A 73 -18.987 11.222 -17.104 1.00 0.00 O ATOM 0 H SER A 73 -17.035 13.452 -18.667 1.00 0.00 H new ATOM 0 HA SER A 73 -19.758 12.995 -19.626 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.243 10.862 -19.114 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.636 11.385 -18.648 1.00 0.00 H new ATOM 0 HG SER A 73 -18.291 11.595 -16.524 1.00 0.00 H new ATOM 1156 N THR A 74 -21.094 13.398 -17.493 1.00 0.00 N ATOM 1157 CA THR A 74 -21.888 13.944 -16.400 1.00 0.00 C ATOM 1158 C THR A 74 -22.213 12.870 -15.368 1.00 0.00 C ATOM 1159 O THR A 74 -22.941 11.919 -15.654 1.00 0.00 O ATOM 1160 CB THR A 74 -23.203 14.560 -16.914 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.069 14.919 -18.294 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.580 15.788 -16.100 1.00 0.00 C ATOM 0 H THR A 74 -21.626 12.849 -18.168 1.00 0.00 H new ATOM 0 HA THR A 74 -21.288 14.725 -15.932 1.00 0.00 H new ATOM 0 HB THR A 74 -23.993 13.817 -16.807 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.910 15.308 -18.614 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.512 16.205 -16.482 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.710 15.506 -15.055 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.789 16.534 -16.179 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.670 13.028 -14.166 1.00 0.00 N ATOM 1171 CA LEU A 75 -21.903 12.072 -13.089 1.00 0.00 C ATOM 1172 C LEU A 75 -22.919 12.614 -12.090 1.00 0.00 C ATOM 1173 O LEU A 75 -23.048 13.826 -11.915 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.589 11.749 -12.374 1.00 0.00 C ATOM 1175 CG LEU A 75 -19.889 10.460 -12.805 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -20.804 9.262 -12.602 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -19.445 10.554 -14.258 1.00 0.00 C ATOM 0 H LEU A 75 -21.065 13.809 -13.913 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.305 11.159 -13.528 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -19.901 12.581 -12.527 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.786 11.691 -11.303 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.004 10.325 -12.183 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.289 8.354 -12.914 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.072 9.183 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -21.708 9.389 -13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.949 9.628 -14.547 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.315 10.714 -14.895 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -18.753 11.388 -14.374 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.639 11.708 -11.435 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.642 12.095 -10.450 1.00 0.00 C ATOM 1191 C HIS A 76 -24.522 11.245 -9.188 1.00 0.00 C ATOM 1192 O HIS A 76 -24.602 10.017 -9.244 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.046 11.956 -11.040 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.374 13.003 -12.060 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -26.900 14.234 -11.732 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.245 12.997 -13.407 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.083 14.940 -12.833 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -26.692 14.212 -13.864 1.00 0.00 N ATOM 0 H HIS A 76 -23.546 10.701 -11.569 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.469 13.137 -10.182 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.143 10.972 -11.498 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.777 12.005 -10.233 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -25.862 12.187 -14.010 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.484 15.942 -12.882 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -26.718 14.505 -14.841 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.328 11.906 -8.052 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.195 11.212 -6.776 1.00 0.00 C ATOM 1208 C LEU A 77 -25.509 11.241 -6.001 1.00 0.00 C ATOM 1209 O LEU A 77 -25.978 12.304 -5.594 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.083 11.848 -5.941 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.150 13.367 -5.778 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -22.879 13.761 -4.335 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.160 14.047 -6.713 1.00 0.00 C ATOM 0 H LEU A 77 -24.259 12.922 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 77 -23.938 10.173 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.097 11.395 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.125 11.593 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.155 13.698 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -22.931 14.845 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -23.625 13.303 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -21.886 13.418 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.221 15.128 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.150 13.710 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.399 13.791 -7.745 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.097 10.067 -5.799 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.355 9.957 -5.070 1.00 0.00 C ATOM 1227 C VAL A 78 -27.167 9.198 -3.761 1.00 0.00 C ATOM 1228 O VAL A 78 -26.547 8.134 -3.731 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.432 9.248 -5.912 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -28.970 10.180 -6.986 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -27.872 7.976 -6.530 1.00 0.00 C ATOM 0 H VAL A 78 -25.722 9.178 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.685 10.973 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.258 8.973 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.730 9.661 -7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.411 11.060 -6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.156 10.488 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.646 7.488 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.027 8.225 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.541 7.303 -5.739 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.706 9.751 -2.680 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.598 9.126 -1.367 1.00 0.00 C ATOM 1243 C LEU A 79 -28.952 8.600 -0.902 1.00 0.00 C ATOM 1244 O LEU A 79 -29.979 9.255 -1.081 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.050 10.127 -0.348 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.545 10.392 -0.410 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.193 11.175 -1.664 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.083 11.137 0.834 1.00 0.00 C ATOM 0 H LEU A 79 -28.222 10.631 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.910 8.285 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -27.571 11.075 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.295 9.768 0.652 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.028 9.433 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -24.118 11.354 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.488 10.604 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.720 12.129 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.010 11.317 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.607 12.090 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.301 10.538 1.718 1.00 0.00 H new