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 14 LYS NZ :NH3+ 152:sc= 0.0404 (180deg=-0.322) USER MOD Set 1.2: A 20 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 8 SER OG : rot -34:sc= 0.253 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -74:sc= -0.876 USER MOD Single : A 17 THR OG1 : rot -40:sc= 0.813 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -82:sc= 0.243 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.439 (180deg=-1.66) USER MOD Single : A 37 LYS NZ :NH3+ -113:sc= -0.482 (180deg=-0.609) USER MOD Single : A 39 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -117:sc= -0.386 (180deg=-2.29!) USER MOD Single : A 48 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= -4.01 K(o=-4,f=-11!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.581 K(o=0.58,f=-4.9!) USER MOD Single : A 63 THR OG1 : rot 51:sc= 0.544 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -163:sc= 0.705 USER MOD Single : A 68 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc=-0.00417 (180deg=-0.157) USER MOD Single : A 73 SER OG : rot -82:sc= -0.953 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 -4.296 10.369 -16.639 1.00 0.00 N ATOM 100 CA SER A 8 -5.298 11.005 -15.791 1.00 0.00 C ATOM 101 C SER A 8 -6.457 11.540 -16.627 1.00 0.00 C ATOM 102 O SER A 8 -6.326 11.736 -17.835 1.00 0.00 O ATOM 103 CB SER A 8 -4.667 12.142 -14.985 1.00 0.00 C ATOM 104 OG SER A 8 -3.877 12.977 -15.814 1.00 0.00 O ATOM 0 HA SER A 8 -5.686 10.254 -15.103 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.450 12.733 -14.509 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.050 11.728 -14.187 1.00 0.00 H new ATOM 0 HG SER A 8 -3.451 12.437 -16.512 1.00 0.00 H new ATOM 110 N MET A 9 -7.590 11.774 -15.974 1.00 0.00 N ATOM 111 CA MET A 9 -8.772 12.288 -16.656 1.00 0.00 C ATOM 112 C MET A 9 -9.663 13.063 -15.691 1.00 0.00 C ATOM 113 O MET A 9 -9.918 12.616 -14.573 1.00 0.00 O ATOM 114 CB MET A 9 -9.562 11.140 -17.288 1.00 0.00 C ATOM 115 CG MET A 9 -11.038 11.452 -17.481 1.00 0.00 C ATOM 116 SD MET A 9 -11.810 10.409 -18.732 1.00 0.00 S ATOM 117 CE MET A 9 -12.241 8.971 -17.755 1.00 0.00 C ATOM 0 H MET A 9 -7.715 11.616 -14.974 1.00 0.00 H new ATOM 0 HA MET A 9 -8.441 12.967 -17.441 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.121 10.895 -18.254 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.465 10.254 -16.660 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.560 11.322 -16.533 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.150 12.498 -17.766 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.729 8.232 -18.391 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.337 8.539 -17.325 1.00 0.00 H new ATOM 0 HE3 MET A 9 -12.919 9.265 -16.954 1.00 0.00 H new ATOM 127 N GLN A 10 -10.132 14.227 -16.130 1.00 0.00 N ATOM 128 CA GLN A 10 -10.994 15.064 -15.303 1.00 0.00 C ATOM 129 C GLN A 10 -12.447 14.961 -15.753 1.00 0.00 C ATOM 130 O GLN A 10 -12.753 15.115 -16.936 1.00 0.00 O ATOM 131 CB GLN A 10 -10.531 16.521 -15.359 1.00 0.00 C ATOM 132 CG GLN A 10 -9.488 16.869 -14.310 1.00 0.00 C ATOM 133 CD GLN A 10 -8.727 18.137 -14.643 1.00 0.00 C ATOM 134 OE1 GLN A 10 -9.291 19.232 -14.641 1.00 0.00 O ATOM 135 NE2 GLN A 10 -7.438 17.996 -14.929 1.00 0.00 N ATOM 0 H GLN A 10 -9.930 14.612 -17.053 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.926 14.708 -14.275 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.121 16.726 -16.348 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.395 17.173 -15.231 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.976 16.986 -13.342 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.784 16.042 -14.214 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.012 17.069 -14.919 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.874 18.814 -15.159 1.00 0.00 H new ATOM 144 N ILE A 11 -13.339 14.700 -14.803 1.00 0.00 N ATOM 145 CA ILE A 11 -14.760 14.577 -15.103 1.00 0.00 C ATOM 146 C ILE A 11 -15.588 15.518 -14.234 1.00 0.00 C ATOM 147 O ILE A 11 -15.102 16.044 -13.233 1.00 0.00 O ATOM 148 CB ILE A 11 -15.257 13.134 -14.896 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.240 12.775 -13.409 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.402 12.160 -15.692 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.710 11.366 -13.122 1.00 0.00 C ATOM 0 H ILE A 11 -13.103 14.570 -13.819 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.886 14.848 -16.151 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.283 13.063 -15.256 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.227 12.896 -13.026 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.872 13.478 -12.867 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.766 11.144 -15.535 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.460 12.407 -16.752 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.366 12.230 -15.360 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.671 11.181 -12.048 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.734 11.245 -13.474 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.063 10.655 -13.636 1.00 0.00 H new ATOM 163 N PHE A 12 -16.842 15.724 -14.623 1.00 0.00 N ATOM 164 CA PHE A 12 -17.739 16.601 -13.880 1.00 0.00 C ATOM 165 C PHE A 12 -18.858 15.801 -13.219 1.00 0.00 C ATOM 166 O PHE A 12 -19.483 14.948 -13.850 1.00 0.00 O ATOM 167 CB PHE A 12 -18.334 17.662 -14.808 1.00 0.00 C ATOM 168 CG PHE A 12 -17.316 18.623 -15.350 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.645 19.493 -14.505 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.029 18.657 -16.705 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.708 20.379 -15.003 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.092 19.541 -17.208 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.431 20.402 -16.355 1.00 0.00 C ATOM 0 H PHE A 12 -17.260 15.295 -15.449 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.160 17.095 -13.100 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.833 17.166 -15.641 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.097 18.221 -14.266 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.857 19.479 -13.446 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.543 17.985 -17.376 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.193 21.053 -14.334 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.878 19.558 -18.266 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.698 21.093 -16.745 1.00 0.00 H new ATOM 183 N VAL A 13 -19.104 16.081 -11.944 1.00 0.00 N ATOM 184 CA VAL A 13 -20.148 15.389 -11.196 1.00 0.00 C ATOM 185 C VAL A 13 -21.090 16.380 -10.522 1.00 0.00 C ATOM 186 O VAL A 13 -20.657 17.405 -9.994 1.00 0.00 O ATOM 187 CB VAL A 13 -19.548 14.458 -10.126 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.632 13.593 -9.502 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.447 13.596 -10.727 1.00 0.00 C ATOM 0 H VAL A 13 -18.595 16.782 -11.406 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.709 14.791 -11.914 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.109 15.072 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.189 12.942 -8.748 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.382 14.231 -9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.103 12.986 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.034 12.944 -9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.859 12.989 -11.533 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.658 14.236 -11.122 1.00 0.00 H new ATOM 199 N LYS A 14 -22.381 16.068 -10.542 1.00 0.00 N ATOM 200 CA LYS A 14 -23.387 16.929 -9.931 1.00 0.00 C ATOM 201 C LYS A 14 -23.758 16.428 -8.538 1.00 0.00 C ATOM 202 O LYS A 14 -24.142 15.271 -8.364 1.00 0.00 O ATOM 203 CB LYS A 14 -24.637 16.992 -10.811 1.00 0.00 C ATOM 204 CG LYS A 14 -24.601 18.111 -11.838 1.00 0.00 C ATOM 205 CD LYS A 14 -23.740 17.742 -13.034 1.00 0.00 C ATOM 206 CE LYS A 14 -23.945 18.711 -14.189 1.00 0.00 C ATOM 207 NZ LYS A 14 -23.793 20.128 -13.757 1.00 0.00 N ATOM 0 H LYS A 14 -22.756 15.224 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.965 17.930 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.756 16.040 -11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.513 17.121 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.615 18.332 -12.172 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.213 19.018 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.690 17.740 -12.741 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.982 16.730 -13.359 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.226 18.493 -14.978 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -24.938 18.565 -14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.469 20.703 -14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -24.709 20.488 -13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -23.095 20.183 -12.988 1.00 0.00 H new ATOM 221 N THR A 15 -23.641 17.308 -7.548 1.00 0.00 N ATOM 222 CA THR A 15 -23.965 16.955 -6.171 1.00 0.00 C ATOM 223 C THR A 15 -25.451 17.145 -5.890 1.00 0.00 C ATOM 224 O THR A 15 -26.220 17.511 -6.779 1.00 0.00 O ATOM 225 CB THR A 15 -23.153 17.798 -5.170 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.453 19.188 -5.342 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.660 17.570 -5.356 1.00 0.00 C ATOM 0 H THR A 15 -23.325 18.269 -7.674 1.00 0.00 H new ATOM 0 HA THR A 15 -23.706 15.904 -6.044 1.00 0.00 H new ATOM 0 HB THR A 15 -23.429 17.489 -4.162 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.025 19.516 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.107 18.176 -4.638 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.430 16.517 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.372 17.854 -6.368 1.00 0.00 H new ATOM 235 N LEU A 16 -25.850 16.894 -4.648 1.00 0.00 N ATOM 236 CA LEU A 16 -27.245 17.039 -4.248 1.00 0.00 C ATOM 237 C LEU A 16 -27.632 18.510 -4.141 1.00 0.00 C ATOM 238 O LEU A 16 -28.811 18.861 -4.205 1.00 0.00 O ATOM 239 CB LEU A 16 -27.489 16.337 -2.911 1.00 0.00 C ATOM 240 CG LEU A 16 -27.645 14.817 -2.969 1.00 0.00 C ATOM 241 CD1 LEU A 16 -26.291 14.136 -2.842 1.00 0.00 C ATOM 242 CD2 LEU A 16 -28.591 14.336 -1.878 1.00 0.00 C ATOM 0 H LEU A 16 -25.227 16.589 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 16 -27.866 16.574 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -26.660 16.572 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -28.389 16.758 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 16 -28.073 14.551 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -26.422 13.055 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -25.645 14.456 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -25.835 14.408 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -28.690 13.252 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -28.192 14.614 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -29.569 14.797 -2.015 1.00 0.00 H new ATOM 254 N THR A 17 -26.630 19.370 -3.979 1.00 0.00 N ATOM 255 CA THR A 17 -26.865 20.803 -3.864 1.00 0.00 C ATOM 256 C THR A 17 -26.713 21.495 -5.214 1.00 0.00 C ATOM 257 O THR A 17 -26.359 22.671 -5.284 1.00 0.00 O ATOM 258 CB THR A 17 -25.897 21.452 -2.856 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.261 22.819 -2.638 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.463 21.377 -3.358 1.00 0.00 C ATOM 0 H THR A 17 -25.648 19.098 -3.925 1.00 0.00 H new ATOM 0 HA THR A 17 -27.887 20.928 -3.507 1.00 0.00 H new ATOM 0 HB THR A 17 -25.965 20.904 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.533 23.225 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.798 21.841 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.179 20.333 -3.495 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.383 21.902 -4.310 1.00 0.00 H new ATOM 268 N GLY A 18 -26.985 20.757 -6.286 1.00 0.00 N ATOM 269 CA GLY A 18 -26.873 21.317 -7.620 1.00 0.00 C ATOM 270 C GLY A 18 -25.528 21.972 -7.864 1.00 0.00 C ATOM 271 O GLY A 18 -25.439 22.989 -8.552 1.00 0.00 O ATOM 0 H GLY A 18 -27.281 19.781 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.028 20.528 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.664 22.052 -7.769 1.00 0.00 H new ATOM 275 N LYS A 19 -24.477 21.390 -7.296 1.00 0.00 N ATOM 276 CA LYS A 19 -23.129 21.922 -7.454 1.00 0.00 C ATOM 277 C LYS A 19 -22.251 20.956 -8.244 1.00 0.00 C ATOM 278 O LYS A 19 -22.163 19.772 -7.918 1.00 0.00 O ATOM 279 CB LYS A 19 -22.502 22.193 -6.084 1.00 0.00 C ATOM 280 CG LYS A 19 -21.071 22.698 -6.159 1.00 0.00 C ATOM 281 CD LYS A 19 -20.073 21.554 -6.106 1.00 0.00 C ATOM 282 CE LYS A 19 -18.766 21.984 -5.457 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.776 21.756 -3.986 1.00 0.00 N ATOM 0 H LYS A 19 -24.533 20.549 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.198 22.858 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.110 22.926 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.524 21.276 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.931 23.262 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.883 23.385 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.501 20.722 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.878 21.193 -7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.940 21.432 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.590 23.041 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.868 22.062 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.549 22.303 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.918 20.744 -3.793 1.00 0.00 H new ATOM 297 N THR A 20 -21.602 21.470 -9.284 1.00 0.00 N ATOM 298 CA THR A 20 -20.731 20.653 -10.120 1.00 0.00 C ATOM 299 C THR A 20 -19.312 20.615 -9.564 1.00 0.00 C ATOM 300 O THR A 20 -18.689 21.657 -9.355 1.00 0.00 O ATOM 301 CB THR A 20 -20.688 21.178 -11.568 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.929 21.813 -11.895 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.419 20.045 -12.546 1.00 0.00 C ATOM 0 H THR A 20 -21.663 22.448 -9.567 1.00 0.00 H new ATOM 0 HA THR A 20 -21.146 19.645 -10.118 1.00 0.00 H new ATOM 0 HB THR A 20 -19.878 21.903 -11.645 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.894 22.146 -12.816 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.393 20.440 -13.562 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.460 19.582 -12.312 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.211 19.300 -12.466 1.00 0.00 H new ATOM 311 N ILE A 21 -18.807 19.409 -9.326 1.00 0.00 N ATOM 312 CA ILE A 21 -17.460 19.237 -8.795 1.00 0.00 C ATOM 313 C ILE A 21 -16.598 18.409 -9.742 1.00 0.00 C ATOM 314 O ILE A 21 -17.027 17.369 -10.243 1.00 0.00 O ATOM 315 CB ILE A 21 -17.483 18.558 -7.413 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.057 18.269 -6.940 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.299 17.275 -7.467 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.583 16.870 -7.268 1.00 0.00 C ATOM 0 H ILE A 21 -19.310 18.537 -9.492 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.030 20.234 -8.694 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.953 19.235 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.379 18.990 -7.396 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.003 18.419 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.306 16.807 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.321 17.506 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.855 16.592 -8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.565 16.736 -6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.238 16.142 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.604 16.723 -8.348 1.00 0.00 H new ATOM 330 N THR A 22 -15.377 18.877 -9.984 1.00 0.00 N ATOM 331 CA THR A 22 -14.453 18.180 -10.870 1.00 0.00 C ATOM 332 C THR A 22 -13.670 17.111 -10.117 1.00 0.00 C ATOM 333 O THR A 22 -13.118 17.369 -9.046 1.00 0.00 O ATOM 334 CB THR A 22 -13.462 19.158 -11.529 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.152 20.334 -11.966 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.763 18.505 -12.711 1.00 0.00 C ATOM 0 H THR A 22 -15.005 19.736 -9.579 1.00 0.00 H new ATOM 0 HA THR A 22 -15.055 17.706 -11.646 1.00 0.00 H new ATOM 0 HB THR A 22 -12.710 19.433 -10.789 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.577 20.161 -12.832 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.068 19.215 -13.160 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.215 17.627 -12.370 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.504 18.205 -13.452 1.00 0.00 H new ATOM 344 N LEU A 23 -13.625 15.910 -10.682 1.00 0.00 N ATOM 345 CA LEU A 23 -12.908 14.800 -10.064 1.00 0.00 C ATOM 346 C LEU A 23 -11.825 14.265 -10.995 1.00 0.00 C ATOM 347 O LEU A 23 -11.892 14.448 -12.210 1.00 0.00 O ATOM 348 CB LEU A 23 -13.881 13.678 -9.698 1.00 0.00 C ATOM 349 CG LEU A 23 -13.501 12.827 -8.486 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.462 13.680 -7.227 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.475 11.670 -8.319 1.00 0.00 C ATOM 0 H LEU A 23 -14.076 15.680 -11.567 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.431 15.169 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -14.860 14.120 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -13.986 13.020 -10.560 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.506 12.415 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.190 13.058 -6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.724 14.473 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.444 14.121 -7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.188 11.076 -7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.482 12.060 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.453 11.044 -9.211 1.00 0.00 H new ATOM 363 N GLU A 24 -10.828 13.602 -10.417 1.00 0.00 N ATOM 364 CA GLU A 24 -9.732 13.039 -11.196 1.00 0.00 C ATOM 365 C GLU A 24 -9.774 11.514 -11.173 1.00 0.00 C ATOM 366 O GLU A 24 -9.668 10.895 -10.114 1.00 0.00 O ATOM 367 CB GLU A 24 -8.388 13.532 -10.656 1.00 0.00 C ATOM 368 CG GLU A 24 -7.932 14.848 -11.263 1.00 0.00 C ATOM 369 CD GLU A 24 -6.893 15.554 -10.414 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.789 14.997 -10.245 1.00 0.00 O ATOM 371 OE2 GLU A 24 -7.185 16.663 -9.919 1.00 0.00 O ATOM 0 H GLU A 24 -10.757 13.442 -9.412 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.845 13.372 -12.228 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.461 13.647 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.630 12.772 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.520 14.663 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.794 15.502 -11.393 1.00 0.00 H new ATOM 378 N VAL A 25 -9.930 10.914 -12.349 1.00 0.00 N ATOM 379 CA VAL A 25 -9.987 9.462 -12.465 1.00 0.00 C ATOM 380 C VAL A 25 -9.246 8.981 -13.707 1.00 0.00 C ATOM 381 O VAL A 25 -8.802 9.785 -14.527 1.00 0.00 O ATOM 382 CB VAL A 25 -11.441 8.959 -12.521 1.00 0.00 C ATOM 383 CG1 VAL A 25 -11.571 7.619 -11.812 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.383 9.987 -11.912 1.00 0.00 C ATOM 0 H VAL A 25 -10.019 11.412 -13.235 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.504 9.055 -11.577 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.719 8.818 -13.566 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.606 7.280 -11.862 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.925 6.887 -12.297 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.275 7.729 -10.769 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.407 9.616 -11.960 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.108 10.161 -10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.310 10.922 -12.468 1.00 0.00 H new ATOM 394 N GLU A 26 -9.117 7.665 -13.840 1.00 0.00 N ATOM 395 CA GLU A 26 -8.429 7.077 -14.984 1.00 0.00 C ATOM 396 C GLU A 26 -9.415 6.358 -15.901 1.00 0.00 C ATOM 397 O GLU A 26 -10.477 5.901 -15.476 1.00 0.00 O ATOM 398 CB GLU A 26 -7.350 6.100 -14.512 1.00 0.00 C ATOM 399 CG GLU A 26 -6.553 6.604 -13.320 1.00 0.00 C ATOM 400 CD GLU A 26 -5.515 5.604 -12.849 1.00 0.00 C ATOM 401 OE1 GLU A 26 -5.388 4.536 -13.483 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.828 5.891 -11.845 1.00 0.00 O ATOM 0 H GLU A 26 -9.479 6.986 -13.171 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.958 7.884 -15.546 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.820 5.152 -14.250 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.667 5.900 -15.337 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.058 7.538 -13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.235 6.828 -12.500 1.00 0.00 H new ATOM 409 N PRO A 27 -9.057 6.256 -17.189 1.00 0.00 N ATOM 410 CA PRO A 27 -9.895 5.594 -18.194 1.00 0.00 C ATOM 411 C PRO A 27 -9.961 4.084 -17.990 1.00 0.00 C ATOM 412 O PRO A 27 -10.802 3.405 -18.579 1.00 0.00 O ATOM 413 CB PRO A 27 -9.196 5.926 -19.514 1.00 0.00 C ATOM 414 CG PRO A 27 -7.774 6.167 -19.139 1.00 0.00 C ATOM 415 CD PRO A 27 -7.806 6.777 -17.765 1.00 0.00 C ATOM 0 HA PRO A 27 -10.930 5.932 -18.148 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.284 5.105 -20.226 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.636 6.805 -19.985 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.207 5.236 -19.140 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.290 6.835 -19.852 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.939 6.482 -17.174 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.807 7.866 -17.809 1.00 0.00 H new ATOM 423 N SER A 28 -9.069 3.565 -17.153 1.00 0.00 N ATOM 424 CA SER A 28 -9.024 2.134 -16.874 1.00 0.00 C ATOM 425 C SER A 28 -9.593 1.832 -15.491 1.00 0.00 C ATOM 426 O SER A 28 -9.891 0.682 -15.168 1.00 0.00 O ATOM 427 CB SER A 28 -7.587 1.619 -16.971 1.00 0.00 C ATOM 428 OG SER A 28 -6.655 2.656 -16.713 1.00 0.00 O ATOM 0 H SER A 28 -8.367 4.114 -16.656 1.00 0.00 H new ATOM 0 HA SER A 28 -9.636 1.624 -17.618 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.439 0.807 -16.258 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.411 1.207 -17.965 1.00 0.00 H new ATOM 0 HG SER A 28 -5.744 2.301 -16.779 1.00 0.00 H new ATOM 434 N ASP A 29 -9.740 2.873 -14.679 1.00 0.00 N ATOM 435 CA ASP A 29 -10.274 2.721 -13.330 1.00 0.00 C ATOM 436 C ASP A 29 -11.751 2.341 -13.370 1.00 0.00 C ATOM 437 O ASP A 29 -12.406 2.458 -14.406 1.00 0.00 O ATOM 438 CB ASP A 29 -10.088 4.015 -12.536 1.00 0.00 C ATOM 439 CG ASP A 29 -8.654 4.217 -12.087 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.771 3.482 -12.574 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.416 5.111 -11.247 1.00 0.00 O ATOM 0 H ASP A 29 -9.497 3.831 -14.931 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.725 1.919 -12.836 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.396 4.862 -13.149 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.740 3.999 -11.663 1.00 0.00 H new ATOM 446 N THR A 30 -12.270 1.885 -12.234 1.00 0.00 N ATOM 447 CA THR A 30 -13.669 1.486 -12.139 1.00 0.00 C ATOM 448 C THR A 30 -14.465 2.471 -11.292 1.00 0.00 C ATOM 449 O THR A 30 -13.898 3.374 -10.676 1.00 0.00 O ATOM 450 CB THR A 30 -13.811 0.076 -11.536 1.00 0.00 C ATOM 451 OG1 THR A 30 -13.335 0.070 -10.185 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.035 -0.944 -12.356 1.00 0.00 C ATOM 0 H THR A 30 -11.742 1.783 -11.367 1.00 0.00 H new ATOM 0 HA THR A 30 -14.066 1.481 -13.154 1.00 0.00 H new ATOM 0 HB THR A 30 -14.866 -0.196 -11.550 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.430 -0.830 -9.809 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.150 -1.932 -11.911 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.419 -0.959 -13.376 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.979 -0.673 -12.369 1.00 0.00 H new ATOM 460 N ILE A 31 -15.782 2.292 -11.265 1.00 0.00 N ATOM 461 CA ILE A 31 -16.655 3.165 -10.491 1.00 0.00 C ATOM 462 C ILE A 31 -16.186 3.270 -9.044 1.00 0.00 C ATOM 463 O ILE A 31 -16.406 4.283 -8.382 1.00 0.00 O ATOM 464 CB ILE A 31 -18.112 2.665 -10.512 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.590 2.479 -11.953 1.00 0.00 C ATOM 466 CG2 ILE A 31 -19.016 3.639 -9.770 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.481 3.732 -12.793 1.00 0.00 C ATOM 0 H ILE A 31 -16.267 1.550 -11.770 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.610 4.150 -10.957 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.157 1.700 -10.007 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.007 1.686 -12.421 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.628 2.148 -11.943 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.042 3.273 -9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.685 3.726 -8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.969 4.617 -10.250 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.837 3.526 -13.802 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.087 4.522 -12.349 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.440 4.053 -12.834 1.00 0.00 H new ATOM 479 N GLU A 32 -15.537 2.215 -8.560 1.00 0.00 N ATOM 480 CA GLU A 32 -15.036 2.189 -7.191 1.00 0.00 C ATOM 481 C GLU A 32 -13.941 3.234 -6.993 1.00 0.00 C ATOM 482 O GLU A 32 -13.951 3.980 -6.015 1.00 0.00 O ATOM 483 CB GLU A 32 -14.497 0.799 -6.847 1.00 0.00 C ATOM 484 CG GLU A 32 -15.443 -0.330 -7.222 1.00 0.00 C ATOM 485 CD GLU A 32 -14.901 -1.695 -6.843 1.00 0.00 C ATOM 486 OE1 GLU A 32 -14.052 -2.225 -7.589 1.00 0.00 O ATOM 487 OE2 GLU A 32 -15.327 -2.232 -5.799 1.00 0.00 O ATOM 0 H GLU A 32 -15.346 1.368 -9.095 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.865 2.424 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.546 0.650 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.294 0.752 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.402 -0.174 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.629 -0.302 -8.296 1.00 0.00 H new ATOM 494 N ASN A 33 -12.998 3.279 -7.928 1.00 0.00 N ATOM 495 CA ASN A 33 -11.896 4.231 -7.857 1.00 0.00 C ATOM 496 C ASN A 33 -12.417 5.663 -7.776 1.00 0.00 C ATOM 497 O ASN A 33 -11.887 6.487 -7.031 1.00 0.00 O ATOM 498 CB ASN A 33 -10.982 4.077 -9.074 1.00 0.00 C ATOM 499 CG ASN A 33 -9.740 3.263 -8.766 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.794 2.036 -8.679 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.613 3.945 -8.598 1.00 0.00 N ATOM 0 H ASN A 33 -12.975 2.667 -8.744 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.325 4.020 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.535 3.599 -9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.687 5.064 -9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.745 3.452 -8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.615 4.962 -8.679 1.00 0.00 H new ATOM 508 N VAL A 34 -13.461 5.951 -8.547 1.00 0.00 N ATOM 509 CA VAL A 34 -14.056 7.282 -8.562 1.00 0.00 C ATOM 510 C VAL A 34 -14.531 7.687 -7.171 1.00 0.00 C ATOM 511 O VAL A 34 -14.216 8.775 -6.688 1.00 0.00 O ATOM 512 CB VAL A 34 -15.244 7.354 -9.539 1.00 0.00 C ATOM 513 CG1 VAL A 34 -15.753 8.783 -9.656 1.00 0.00 C ATOM 514 CG2 VAL A 34 -14.847 6.808 -10.902 1.00 0.00 C ATOM 0 H VAL A 34 -13.912 5.280 -9.169 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.280 7.972 -8.893 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.052 6.736 -9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.592 8.815 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.079 9.135 -8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.953 9.425 -10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.699 6.867 -11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.022 7.397 -11.304 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.535 5.769 -10.801 1.00 0.00 H new ATOM 524 N LYS A 35 -15.290 6.805 -6.531 1.00 0.00 N ATOM 525 CA LYS A 35 -15.808 7.069 -5.193 1.00 0.00 C ATOM 526 C LYS A 35 -14.676 7.401 -4.227 1.00 0.00 C ATOM 527 O LYS A 35 -14.872 8.124 -3.251 1.00 0.00 O ATOM 528 CB LYS A 35 -16.592 5.859 -4.680 1.00 0.00 C ATOM 529 CG LYS A 35 -18.055 5.864 -5.090 1.00 0.00 C ATOM 530 CD LYS A 35 -18.299 4.976 -6.298 1.00 0.00 C ATOM 531 CE LYS A 35 -19.632 4.250 -6.197 1.00 0.00 C ATOM 532 NZ LYS A 35 -20.783 5.174 -6.389 1.00 0.00 N ATOM 0 H LYS A 35 -15.561 5.900 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.475 7.929 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.122 4.948 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.528 5.830 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.668 5.522 -4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.366 6.883 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.281 5.581 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.493 4.248 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.672 3.459 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.711 3.770 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.624 4.784 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.555 6.102 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.976 5.282 -7.405 1.00 0.00 H new ATOM 546 N ALA A 36 -13.490 6.868 -4.506 1.00 0.00 N ATOM 547 CA ALA A 36 -12.326 7.111 -3.663 1.00 0.00 C ATOM 548 C ALA A 36 -12.066 8.605 -3.504 1.00 0.00 C ATOM 549 O ALA A 36 -11.818 9.089 -2.400 1.00 0.00 O ATOM 550 CB ALA A 36 -11.101 6.419 -4.243 1.00 0.00 C ATOM 0 H ALA A 36 -13.311 6.265 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.530 6.697 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.239 6.609 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.282 5.346 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.903 6.806 -5.243 1.00 0.00 H new ATOM 556 N LYS A 37 -12.124 9.333 -4.615 1.00 0.00 N ATOM 557 CA LYS A 37 -11.895 10.773 -4.600 1.00 0.00 C ATOM 558 C LYS A 37 -13.109 11.511 -4.045 1.00 0.00 C ATOM 559 O LYS A 37 -12.977 12.580 -3.448 1.00 0.00 O ATOM 560 CB LYS A 37 -11.581 11.275 -6.011 1.00 0.00 C ATOM 561 CG LYS A 37 -10.236 10.805 -6.538 1.00 0.00 C ATOM 562 CD LYS A 37 -10.343 9.447 -7.211 1.00 0.00 C ATOM 563 CE LYS A 37 -9.031 9.043 -7.865 1.00 0.00 C ATOM 564 NZ LYS A 37 -9.235 8.032 -8.939 1.00 0.00 N ATOM 0 H LYS A 37 -12.328 8.949 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.042 10.973 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.365 10.940 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.602 12.365 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.848 11.535 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.522 10.749 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.630 8.696 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.132 9.474 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.547 9.925 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.358 8.639 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.808 7.129 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.254 7.898 -9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.786 8.363 -9.817 1.00 0.00 H new ATOM 578 N ILE A 38 -14.288 10.933 -4.244 1.00 0.00 N ATOM 579 CA ILE A 38 -15.525 11.536 -3.760 1.00 0.00 C ATOM 580 C ILE A 38 -15.511 11.675 -2.242 1.00 0.00 C ATOM 581 O ILE A 38 -16.117 12.592 -1.688 1.00 0.00 O ATOM 582 CB ILE A 38 -16.755 10.708 -4.177 1.00 0.00 C ATOM 583 CG1 ILE A 38 -16.836 10.608 -5.702 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.025 11.326 -3.612 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.057 11.940 -6.384 1.00 0.00 C ATOM 0 H ILE A 38 -14.414 10.049 -4.736 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.592 12.525 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.653 9.702 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.914 10.165 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.648 9.932 -5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.886 10.730 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.965 11.350 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.135 12.342 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.104 11.793 -7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.993 12.376 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.233 12.612 -6.145 1.00 0.00 H new ATOM 597 N GLN A 39 -14.813 10.761 -1.575 1.00 0.00 N ATOM 598 CA GLN A 39 -14.720 10.783 -0.120 1.00 0.00 C ATOM 599 C GLN A 39 -14.210 12.134 0.372 1.00 0.00 C ATOM 600 O GLN A 39 -14.603 12.605 1.439 1.00 0.00 O ATOM 601 CB GLN A 39 -13.796 9.667 0.370 1.00 0.00 C ATOM 602 CG GLN A 39 -14.436 8.289 0.337 1.00 0.00 C ATOM 603 CD GLN A 39 -13.461 7.184 0.692 1.00 0.00 C ATOM 604 OE1 GLN A 39 -12.900 7.164 1.788 1.00 0.00 O ATOM 605 NE2 GLN A 39 -13.254 6.256 -0.234 1.00 0.00 N ATOM 0 H GLN A 39 -14.304 9.997 -2.019 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.719 10.622 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.896 9.655 -0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.482 9.888 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.275 8.265 1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.842 8.105 -0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.740 6.311 -1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.609 5.488 -0.051 1.00 0.00 H new ATOM 614 N ASP A 40 -13.334 12.752 -0.413 1.00 0.00 N ATOM 615 CA ASP A 40 -12.771 14.049 -0.057 1.00 0.00 C ATOM 616 C ASP A 40 -13.767 15.169 -0.339 1.00 0.00 C ATOM 617 O ASP A 40 -13.681 16.252 0.240 1.00 0.00 O ATOM 618 CB ASP A 40 -11.475 14.296 -0.831 1.00 0.00 C ATOM 619 CG ASP A 40 -10.705 15.491 -0.304 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.151 15.395 0.811 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.655 16.521 -1.008 1.00 0.00 O ATOM 0 H ASP A 40 -12.999 12.376 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.552 14.042 1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.846 13.408 -0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.708 14.453 -1.884 1.00 0.00 H new ATOM 626 N LYS A 41 -14.713 14.902 -1.234 1.00 0.00 N ATOM 627 CA LYS A 41 -15.726 15.887 -1.594 1.00 0.00 C ATOM 628 C LYS A 41 -16.893 15.850 -0.611 1.00 0.00 C ATOM 629 O LYS A 41 -17.317 16.886 -0.100 1.00 0.00 O ATOM 630 CB LYS A 41 -16.234 15.630 -3.014 1.00 0.00 C ATOM 631 CG LYS A 41 -15.126 15.353 -4.015 1.00 0.00 C ATOM 632 CD LYS A 41 -14.269 16.584 -4.254 1.00 0.00 C ATOM 633 CE LYS A 41 -13.042 16.593 -3.355 1.00 0.00 C ATOM 634 NZ LYS A 41 -13.071 17.724 -2.388 1.00 0.00 N ATOM 0 H LYS A 41 -14.799 14.011 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.268 16.875 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.918 14.782 -2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.806 16.495 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.500 14.538 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.561 15.023 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.957 16.614 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.861 17.481 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.984 15.651 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.143 16.662 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.268 18.359 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.961 18.251 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.004 17.354 -1.419 1.00 0.00 H new ATOM 648 N GLU A 42 -17.405 14.651 -0.352 1.00 0.00 N ATOM 649 CA GLU A 42 -18.522 14.482 0.570 1.00 0.00 C ATOM 650 C GLU A 42 -18.139 13.564 1.727 1.00 0.00 C ATOM 651 O GLU A 42 -18.572 13.763 2.861 1.00 0.00 O ATOM 652 CB GLU A 42 -19.738 13.913 -0.165 1.00 0.00 C ATOM 653 CG GLU A 42 -20.098 14.678 -1.428 1.00 0.00 C ATOM 654 CD GLU A 42 -21.250 14.045 -2.184 1.00 0.00 C ATOM 655 OE1 GLU A 42 -21.257 12.804 -2.325 1.00 0.00 O ATOM 656 OE2 GLU A 42 -22.145 14.791 -2.635 1.00 0.00 O ATOM 0 H GLU A 42 -17.065 13.784 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.776 15.462 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.542 12.873 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.595 13.917 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.360 15.703 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.225 14.729 -2.079 1.00 0.00 H new ATOM 663 N GLY A 43 -17.322 12.557 1.430 1.00 0.00 N ATOM 664 CA GLY A 43 -16.894 11.623 2.455 1.00 0.00 C ATOM 665 C GLY A 43 -17.999 10.672 2.871 1.00 0.00 C ATOM 666 O GLY A 43 -18.363 10.610 4.046 1.00 0.00 O ATOM 0 H GLY A 43 -16.950 12.372 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.044 11.049 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.549 12.178 3.327 1.00 0.00 H new ATOM 670 N ILE A 44 -18.535 9.932 1.907 1.00 0.00 N ATOM 671 CA ILE A 44 -19.605 8.981 2.180 1.00 0.00 C ATOM 672 C ILE A 44 -19.241 7.586 1.683 1.00 0.00 C ATOM 673 O ILE A 44 -18.480 7.418 0.730 1.00 0.00 O ATOM 674 CB ILE A 44 -20.928 9.418 1.524 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.687 9.843 0.074 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.562 10.552 2.316 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.949 10.252 -0.653 1.00 0.00 C ATOM 0 H ILE A 44 -18.246 9.973 0.930 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.736 8.956 3.262 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.615 8.572 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.983 10.675 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.218 9.020 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.496 10.850 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.764 10.217 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.881 11.403 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.703 10.541 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.646 9.415 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.408 11.096 -0.138 1.00 0.00 H new ATOM 689 N PRO A 45 -19.798 6.559 2.342 1.00 0.00 N ATOM 690 CA PRO A 45 -19.548 5.159 1.983 1.00 0.00 C ATOM 691 C PRO A 45 -20.187 4.779 0.652 1.00 0.00 C ATOM 692 O PRO A 45 -21.011 5.510 0.100 1.00 0.00 O ATOM 693 CB PRO A 45 -20.196 4.379 3.130 1.00 0.00 C ATOM 694 CG PRO A 45 -21.248 5.290 3.661 1.00 0.00 C ATOM 695 CD PRO A 45 -20.715 6.685 3.487 1.00 0.00 C ATOM 0 HA PRO A 45 -18.485 4.954 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.625 3.441 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.466 4.126 3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.186 5.160 3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.453 5.079 4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.514 7.398 3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.196 7.032 4.381 1.00 0.00 H new ATOM 703 N PRO A 46 -19.802 3.609 0.122 1.00 0.00 N ATOM 704 CA PRO A 46 -20.326 3.106 -1.151 1.00 0.00 C ATOM 705 C PRO A 46 -21.789 2.689 -1.051 1.00 0.00 C ATOM 706 O PRO A 46 -22.509 2.672 -2.050 1.00 0.00 O ATOM 707 CB PRO A 46 -19.443 1.889 -1.442 1.00 0.00 C ATOM 708 CG PRO A 46 -18.963 1.441 -0.104 1.00 0.00 C ATOM 709 CD PRO A 46 -18.824 2.688 0.725 1.00 0.00 C ATOM 0 HA PRO A 46 -20.299 3.866 -1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.006 1.102 -1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.610 2.151 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.669 0.746 0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.010 0.919 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.045 2.499 1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.812 3.090 0.679 1.00 0.00 H new ATOM 717 N ASP A 47 -22.223 2.356 0.159 1.00 0.00 N ATOM 718 CA ASP A 47 -23.602 1.941 0.390 1.00 0.00 C ATOM 719 C ASP A 47 -24.526 3.152 0.481 1.00 0.00 C ATOM 720 O ASP A 47 -25.746 3.021 0.390 1.00 0.00 O ATOM 721 CB ASP A 47 -23.701 1.112 1.671 1.00 0.00 C ATOM 722 CG ASP A 47 -22.984 1.761 2.838 1.00 0.00 C ATOM 723 OD1 ASP A 47 -22.917 3.008 2.874 1.00 0.00 O ATOM 724 OD2 ASP A 47 -22.490 1.023 3.715 1.00 0.00 O ATOM 0 H ASP A 47 -21.640 2.365 0.996 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.917 1.328 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -24.751 0.969 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.279 0.123 1.494 1.00 0.00 H new ATOM 729 N GLN A 48 -23.934 4.329 0.662 1.00 0.00 N ATOM 730 CA GLN A 48 -24.705 5.562 0.767 1.00 0.00 C ATOM 731 C GLN A 48 -24.559 6.404 -0.496 1.00 0.00 C ATOM 732 O GLN A 48 -25.432 7.210 -0.819 1.00 0.00 O ATOM 733 CB GLN A 48 -24.253 6.368 1.986 1.00 0.00 C ATOM 734 CG GLN A 48 -24.677 5.755 3.311 1.00 0.00 C ATOM 735 CD GLN A 48 -24.036 6.440 4.502 1.00 0.00 C ATOM 736 OE1 GLN A 48 -23.778 7.643 4.476 1.00 0.00 O ATOM 737 NE2 GLN A 48 -23.776 5.674 5.556 1.00 0.00 N ATOM 0 H GLN A 48 -22.925 4.454 0.739 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.755 5.296 0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.167 6.460 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.659 7.377 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.762 5.813 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.413 4.698 3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.007 4.681 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -23.346 6.079 6.387 1.00 0.00 H new ATOM 746 N GLN A 49 -23.452 6.212 -1.205 1.00 0.00 N ATOM 747 CA GLN A 49 -23.192 6.956 -2.432 1.00 0.00 C ATOM 748 C GLN A 49 -23.444 6.085 -3.659 1.00 0.00 C ATOM 749 O GLN A 49 -23.081 4.909 -3.683 1.00 0.00 O ATOM 750 CB GLN A 49 -21.753 7.473 -2.446 1.00 0.00 C ATOM 751 CG GLN A 49 -20.733 6.422 -2.855 1.00 0.00 C ATOM 752 CD GLN A 49 -19.401 6.598 -2.152 1.00 0.00 C ATOM 753 OE1 GLN A 49 -18.828 5.639 -1.635 1.00 0.00 O ATOM 754 NE2 GLN A 49 -18.900 7.828 -2.130 1.00 0.00 N ATOM 0 H GLN A 49 -22.721 5.548 -0.951 1.00 0.00 H new ATOM 0 HA GLN A 49 -23.875 7.805 -2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -21.686 8.318 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -21.500 7.846 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -21.129 5.431 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -20.580 6.470 -3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.409 8.594 -2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.006 8.007 -1.672 1.00 0.00 H new ATOM 763 N ARG A 50 -24.068 6.671 -4.676 1.00 0.00 N ATOM 764 CA ARG A 50 -24.370 5.949 -5.906 1.00 0.00 C ATOM 765 C ARG A 50 -24.283 6.874 -7.116 1.00 0.00 C ATOM 766 O ARG A 50 -24.875 7.954 -7.129 1.00 0.00 O ATOM 767 CB ARG A 50 -25.764 5.325 -5.827 1.00 0.00 C ATOM 768 CG ARG A 50 -25.789 3.977 -5.126 1.00 0.00 C ATOM 769 CD ARG A 50 -25.120 2.899 -5.965 1.00 0.00 C ATOM 770 NE ARG A 50 -26.061 2.250 -6.873 1.00 0.00 N ATOM 771 CZ ARG A 50 -25.853 1.055 -7.416 1.00 0.00 C ATOM 772 NH1 ARG A 50 -24.743 0.384 -7.144 1.00 0.00 N ATOM 773 NH2 ARG A 50 -26.757 0.530 -8.233 1.00 0.00 N ATOM 0 H ARG A 50 -24.374 7.644 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.631 5.157 -6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.430 6.010 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.158 5.207 -6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.283 4.057 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.821 3.692 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -24.307 3.340 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -24.676 2.151 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 50 -26.925 2.740 -7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -24.046 0.785 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -24.586 -0.533 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -27.612 1.044 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -26.597 -0.387 -8.649 1.00 0.00 H new ATOM 787 N LEU A 51 -23.540 6.445 -8.130 1.00 0.00 N ATOM 788 CA LEU A 51 -23.375 7.235 -9.345 1.00 0.00 C ATOM 789 C LEU A 51 -24.392 6.824 -10.405 1.00 0.00 C ATOM 790 O LEU A 51 -24.686 5.639 -10.570 1.00 0.00 O ATOM 791 CB LEU A 51 -21.956 7.073 -9.894 1.00 0.00 C ATOM 792 CG LEU A 51 -20.959 8.166 -9.509 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.994 8.417 -8.009 1.00 0.00 C ATOM 794 CD2 LEU A 51 -19.554 7.788 -9.955 1.00 0.00 C ATOM 0 H LEU A 51 -23.042 5.555 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.543 8.282 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.563 6.115 -9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -22.012 7.027 -10.982 1.00 0.00 H new ATOM 0 HG LEU A 51 -21.245 9.087 -10.018 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.278 9.198 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.995 8.733 -7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.734 7.500 -7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -18.858 8.578 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.259 6.855 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -19.538 7.660 -11.037 1.00 0.00 H new ATOM 806 N ILE A 52 -24.924 7.808 -11.121 1.00 0.00 N ATOM 807 CA ILE A 52 -25.905 7.548 -12.167 1.00 0.00 C ATOM 808 C ILE A 52 -25.421 8.067 -13.517 1.00 0.00 C ATOM 809 O ILE A 52 -24.963 9.204 -13.628 1.00 0.00 O ATOM 810 CB ILE A 52 -27.264 8.195 -11.838 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.619 7.966 -10.368 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.350 7.635 -12.745 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.654 6.506 -9.974 1.00 0.00 C ATOM 0 H ILE A 52 -24.692 8.793 -10.996 1.00 0.00 H new ATOM 0 HA ILE A 52 -26.030 6.466 -12.220 1.00 0.00 H new ATOM 0 HB ILE A 52 -27.191 9.269 -12.011 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.893 8.485 -9.742 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.592 8.412 -10.164 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -29.304 8.101 -12.501 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -28.099 7.844 -13.785 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.425 6.557 -12.600 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.912 6.420 -8.919 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.400 5.985 -10.574 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.675 6.059 -10.145 1.00 0.00 H new ATOM 825 N PHE A 53 -25.527 7.226 -14.541 1.00 0.00 N ATOM 826 CA PHE A 53 -25.101 7.600 -15.884 1.00 0.00 C ATOM 827 C PHE A 53 -26.197 7.305 -16.904 1.00 0.00 C ATOM 828 O PHE A 53 -26.570 6.151 -17.113 1.00 0.00 O ATOM 829 CB PHE A 53 -23.821 6.853 -16.263 1.00 0.00 C ATOM 830 CG PHE A 53 -23.200 7.336 -17.542 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.338 8.421 -17.542 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.479 6.707 -18.744 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.766 8.868 -18.718 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.910 7.150 -19.924 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.051 8.231 -19.910 1.00 0.00 C ATOM 0 H PHE A 53 -25.904 6.281 -14.466 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.903 8.672 -15.890 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.097 6.957 -15.455 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.044 5.790 -16.356 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.111 8.923 -16.613 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.149 5.860 -18.760 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.096 9.715 -18.705 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.137 6.651 -20.855 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.603 8.578 -20.829 1.00 0.00 H new ATOM 845 N ALA A 54 -26.708 8.357 -17.536 1.00 0.00 N ATOM 846 CA ALA A 54 -27.760 8.211 -18.534 1.00 0.00 C ATOM 847 C ALA A 54 -28.967 7.479 -17.958 1.00 0.00 C ATOM 848 O ALA A 54 -29.670 6.764 -18.671 1.00 0.00 O ATOM 849 CB ALA A 54 -27.229 7.477 -19.756 1.00 0.00 C ATOM 0 H ALA A 54 -26.410 9.319 -17.374 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.083 9.208 -18.834 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.025 7.375 -20.493 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.403 8.042 -20.189 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.878 6.488 -19.462 1.00 0.00 H new ATOM 855 N GLY A 55 -29.201 7.662 -16.662 1.00 0.00 N ATOM 856 CA GLY A 55 -30.324 7.012 -16.012 1.00 0.00 C ATOM 857 C GLY A 55 -29.975 5.629 -15.499 1.00 0.00 C ATOM 858 O GLY A 55 -30.739 5.026 -14.745 1.00 0.00 O ATOM 0 H GLY A 55 -28.633 8.249 -16.051 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.666 7.629 -15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.153 6.937 -16.715 1.00 0.00 H new ATOM 862 N LYS A 56 -28.816 5.123 -15.908 1.00 0.00 N ATOM 863 CA LYS A 56 -28.366 3.802 -15.486 1.00 0.00 C ATOM 864 C LYS A 56 -27.360 3.909 -14.345 1.00 0.00 C ATOM 865 O LYS A 56 -26.345 4.594 -14.464 1.00 0.00 O ATOM 866 CB LYS A 56 -27.740 3.053 -16.665 1.00 0.00 C ATOM 867 CG LYS A 56 -27.290 1.644 -16.320 1.00 0.00 C ATOM 868 CD LYS A 56 -28.460 0.776 -15.886 1.00 0.00 C ATOM 869 CE LYS A 56 -28.070 -0.693 -15.818 1.00 0.00 C ATOM 870 NZ LYS A 56 -29.250 -1.570 -15.588 1.00 0.00 N ATOM 0 H LYS A 56 -28.171 5.608 -16.532 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.234 3.246 -15.130 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.463 3.005 -17.479 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -26.884 3.619 -17.031 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.803 1.194 -17.185 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -26.549 1.683 -15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -28.815 1.105 -14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -29.287 0.902 -16.585 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -27.579 -0.982 -16.747 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -27.347 -0.840 -15.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -28.942 -2.563 -15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -29.704 -1.312 -14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -29.929 -1.449 -16.366 1.00 0.00 H new ATOM 884 N GLN A 57 -27.648 3.226 -13.242 1.00 0.00 N ATOM 885 CA GLN A 57 -26.767 3.245 -12.080 1.00 0.00 C ATOM 886 C GLN A 57 -25.418 2.614 -12.410 1.00 0.00 C ATOM 887 O GLN A 57 -25.348 1.608 -13.118 1.00 0.00 O ATOM 888 CB GLN A 57 -27.416 2.506 -10.909 1.00 0.00 C ATOM 889 CG GLN A 57 -28.873 2.879 -10.686 1.00 0.00 C ATOM 890 CD GLN A 57 -29.377 2.472 -9.315 1.00 0.00 C ATOM 891 OE1 GLN A 57 -28.685 2.643 -8.311 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.588 1.930 -9.267 1.00 0.00 N ATOM 0 H GLN A 57 -28.484 2.653 -13.128 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.602 4.285 -11.797 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.347 1.432 -11.085 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -26.852 2.717 -10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.991 3.956 -10.807 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -29.487 2.403 -11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -31.126 1.807 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -30.980 1.636 -8.372 1.00 0.00 H new ATOM 901 N LEU A 58 -24.349 3.210 -11.893 1.00 0.00 N ATOM 902 CA LEU A 58 -23.001 2.706 -12.133 1.00 0.00 C ATOM 903 C LEU A 58 -22.581 1.733 -11.037 1.00 0.00 C ATOM 904 O LEU A 58 -22.783 1.993 -9.851 1.00 0.00 O ATOM 905 CB LEU A 58 -22.008 3.867 -12.208 1.00 0.00 C ATOM 906 CG LEU A 58 -22.353 4.983 -13.195 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.220 5.994 -13.275 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.652 4.405 -14.570 1.00 0.00 C ATOM 0 H LEU A 58 -24.389 4.043 -11.305 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.002 2.174 -13.085 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.915 4.304 -11.214 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.030 3.465 -12.472 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.245 5.496 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.483 6.781 -13.982 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.053 6.432 -12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.310 5.495 -13.609 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.895 5.213 -15.259 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.778 3.867 -14.936 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.497 3.720 -14.501 1.00 0.00 H new ATOM 920 N GLU A 59 -21.994 0.611 -11.442 1.00 0.00 N ATOM 921 CA GLU A 59 -21.543 -0.401 -10.493 1.00 0.00 C ATOM 922 C GLU A 59 -20.086 -0.775 -10.748 1.00 0.00 C ATOM 923 O GLU A 59 -19.459 -0.274 -11.681 1.00 0.00 O ATOM 924 CB GLU A 59 -22.425 -1.648 -10.587 1.00 0.00 C ATOM 925 CG GLU A 59 -23.709 -1.547 -9.781 1.00 0.00 C ATOM 926 CD GLU A 59 -24.712 -2.625 -10.143 1.00 0.00 C ATOM 927 OE1 GLU A 59 -24.381 -3.819 -9.992 1.00 0.00 O ATOM 928 OE2 GLU A 59 -25.829 -2.274 -10.578 1.00 0.00 O ATOM 0 H GLU A 59 -21.820 0.380 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.622 0.017 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.675 -1.828 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.856 -2.512 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.473 -1.617 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.159 -0.568 -9.943 1.00 0.00 H new ATOM 935 N ASP A 60 -19.553 -1.657 -9.910 1.00 0.00 N ATOM 936 CA ASP A 60 -18.170 -2.100 -10.043 1.00 0.00 C ATOM 937 C ASP A 60 -18.029 -3.110 -11.177 1.00 0.00 C ATOM 938 O ASP A 60 -19.015 -3.493 -11.807 1.00 0.00 O ATOM 939 CB ASP A 60 -17.680 -2.715 -8.731 1.00 0.00 C ATOM 940 CG ASP A 60 -18.263 -2.024 -7.514 1.00 0.00 C ATOM 941 OD1 ASP A 60 -18.431 -0.787 -7.557 1.00 0.00 O ATOM 942 OD2 ASP A 60 -18.552 -2.721 -6.519 1.00 0.00 O ATOM 0 H ASP A 60 -20.058 -2.080 -9.131 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.557 -1.230 -10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.946 -3.772 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.592 -2.659 -8.691 1.00 0.00 H new ATOM 947 N GLY A 61 -16.797 -3.538 -11.433 1.00 0.00 N ATOM 948 CA GLY A 61 -16.549 -4.498 -12.492 1.00 0.00 C ATOM 949 C GLY A 61 -16.108 -3.838 -13.783 1.00 0.00 C ATOM 950 O GLY A 61 -15.099 -4.225 -14.373 1.00 0.00 O ATOM 0 H GLY A 61 -15.965 -3.237 -10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.783 -5.202 -12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.455 -5.075 -12.674 1.00 0.00 H new ATOM 954 N ARG A 62 -16.866 -2.839 -14.224 1.00 0.00 N ATOM 955 CA ARG A 62 -16.548 -2.125 -15.455 1.00 0.00 C ATOM 956 C ARG A 62 -15.676 -0.906 -15.168 1.00 0.00 C ATOM 957 O ARG A 62 -15.506 -0.509 -14.015 1.00 0.00 O ATOM 958 CB ARG A 62 -17.833 -1.691 -16.164 1.00 0.00 C ATOM 959 CG ARG A 62 -18.392 -2.741 -17.109 1.00 0.00 C ATOM 960 CD ARG A 62 -19.428 -2.148 -18.051 1.00 0.00 C ATOM 961 NE ARG A 62 -19.973 -3.148 -18.965 1.00 0.00 N ATOM 962 CZ ARG A 62 -20.724 -2.849 -20.019 1.00 0.00 C ATOM 963 NH1 ARG A 62 -21.017 -1.585 -20.291 1.00 0.00 N ATOM 964 NH2 ARG A 62 -21.183 -3.815 -20.804 1.00 0.00 N ATOM 0 H ARG A 62 -17.704 -2.506 -13.747 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.993 -2.802 -16.105 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.587 -1.450 -15.415 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.637 -0.777 -16.725 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.580 -3.179 -17.689 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.843 -3.548 -16.532 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -20.238 -1.709 -17.469 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.975 -1.340 -18.626 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.766 -4.130 -18.784 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.666 -0.839 -19.690 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -21.594 -1.358 -21.101 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.959 -4.789 -20.598 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -21.760 -3.584 -21.613 1.00 0.00 H new ATOM 978 N THR A 63 -15.125 -0.317 -16.224 1.00 0.00 N ATOM 979 CA THR A 63 -14.270 0.855 -16.086 1.00 0.00 C ATOM 980 C THR A 63 -14.968 2.109 -16.598 1.00 0.00 C ATOM 981 O THR A 63 -15.928 2.028 -17.366 1.00 0.00 O ATOM 982 CB THR A 63 -12.942 0.674 -16.845 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.256 1.927 -16.938 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.188 0.120 -18.241 1.00 0.00 C ATOM 0 H THR A 63 -15.256 -0.633 -17.185 1.00 0.00 H new ATOM 0 HA THR A 63 -14.060 0.969 -15.023 1.00 0.00 H new ATOM 0 HB THR A 63 -12.327 -0.036 -16.292 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.193 2.332 -16.048 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.236 0.001 -18.758 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.684 -0.848 -18.166 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.820 0.810 -18.800 1.00 0.00 H new ATOM 992 N LEU A 64 -14.481 3.268 -16.170 1.00 0.00 N ATOM 993 CA LEU A 64 -15.058 4.542 -16.586 1.00 0.00 C ATOM 994 C LEU A 64 -15.129 4.636 -18.107 1.00 0.00 C ATOM 995 O LEU A 64 -16.028 5.271 -18.659 1.00 0.00 O ATOM 996 CB LEU A 64 -14.235 5.704 -16.030 1.00 0.00 C ATOM 997 CG LEU A 64 -14.424 6.009 -14.543 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.898 6.195 -14.220 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.825 4.900 -13.691 1.00 0.00 C ATOM 0 H LEU A 64 -13.687 3.352 -15.535 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.071 4.601 -16.188 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.180 5.493 -16.206 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.480 6.601 -16.598 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.903 6.938 -14.313 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.013 6.411 -13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.297 7.024 -14.804 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.442 5.283 -14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.969 5.134 -12.636 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.318 3.956 -13.924 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.759 4.815 -13.902 1.00 0.00 H new ATOM 1011 N SER A 65 -14.175 3.999 -18.779 1.00 0.00 N ATOM 1012 CA SER A 65 -14.128 4.012 -20.237 1.00 0.00 C ATOM 1013 C SER A 65 -15.254 3.167 -20.825 1.00 0.00 C ATOM 1014 O SER A 65 -15.836 3.518 -21.851 1.00 0.00 O ATOM 1015 CB SER A 65 -12.776 3.494 -20.729 1.00 0.00 C ATOM 1016 OG SER A 65 -12.752 3.393 -22.143 1.00 0.00 O ATOM 0 H SER A 65 -13.425 3.468 -18.337 1.00 0.00 H new ATOM 0 HA SER A 65 -14.258 5.041 -20.571 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.983 4.164 -20.396 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.575 2.518 -20.288 1.00 0.00 H new ATOM 0 HG SER A 65 -11.877 3.061 -22.432 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.555 2.053 -20.166 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.611 1.157 -20.623 1.00 0.00 C ATOM 1024 C GLU A 66 -17.988 1.743 -20.327 1.00 0.00 C ATOM 1025 O GLU A 66 -18.985 1.354 -20.936 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.473 -0.213 -19.956 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.373 -1.074 -20.554 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.823 -1.814 -21.798 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.784 -2.606 -21.701 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -15.215 -1.602 -22.868 1.00 0.00 O ATOM 0 H GLU A 66 -15.083 1.749 -19.314 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.510 1.039 -21.702 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.275 -0.072 -18.893 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.422 -0.744 -20.036 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.517 -0.445 -20.800 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.035 -1.795 -19.809 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.036 2.680 -19.386 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.290 3.318 -19.006 1.00 0.00 C ATOM 1039 C TYR A 67 -19.535 4.576 -19.834 1.00 0.00 C ATOM 1040 O TYR A 67 -20.408 5.382 -19.515 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.278 3.668 -17.517 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.753 2.543 -16.626 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.036 2.023 -16.755 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -18.922 2.000 -15.655 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.475 0.995 -15.943 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.352 0.971 -14.839 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.629 0.473 -14.987 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.062 -0.551 -14.176 1.00 0.00 O ATOM 0 H TYR A 67 -17.220 3.014 -18.873 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.099 2.614 -19.200 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.265 3.947 -17.226 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.909 4.541 -17.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.701 2.430 -17.503 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.922 2.389 -15.535 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.475 0.602 -16.056 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.692 0.559 -14.090 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.472 -0.623 -13.397 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.756 4.735 -20.899 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.887 5.895 -21.774 1.00 0.00 C ATOM 1060 C ASN A 68 -18.665 7.189 -20.999 1.00 0.00 C ATOM 1061 O ASN A 68 -19.099 8.261 -21.423 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.269 5.911 -22.431 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.700 4.536 -22.905 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -21.796 4.074 -22.588 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -19.836 3.876 -23.668 1.00 0.00 N ATOM 0 H ASN A 68 -18.028 4.076 -21.177 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.124 5.822 -22.549 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -21.002 6.294 -21.720 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.258 6.597 -23.278 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.070 2.946 -24.017 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.939 4.299 -23.905 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.987 7.082 -19.861 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.706 8.244 -19.027 1.00 0.00 C ATOM 1074 C ILE A 69 -16.424 8.941 -19.469 1.00 0.00 C ATOM 1075 O ILE A 69 -15.324 8.521 -19.111 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.581 7.855 -17.542 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.875 7.202 -17.052 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.246 9.077 -16.701 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.689 6.339 -15.824 1.00 0.00 C ATOM 0 H ILE A 69 -17.622 6.202 -19.496 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.547 8.927 -19.145 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.771 7.133 -17.438 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.605 7.981 -16.831 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.292 6.593 -17.854 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.161 8.786 -15.654 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.300 9.502 -17.037 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.036 9.820 -16.808 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.647 5.909 -15.533 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.984 5.538 -16.046 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.302 6.948 -15.007 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.574 10.008 -20.247 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.427 10.763 -20.737 1.00 0.00 C ATOM 1093 C GLN A 70 -15.050 11.874 -19.762 1.00 0.00 C ATOM 1094 O GLN A 70 -15.558 11.930 -18.642 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.731 11.358 -22.113 1.00 0.00 C ATOM 1096 CG GLN A 70 -16.283 10.346 -23.104 1.00 0.00 C ATOM 1097 CD GLN A 70 -16.104 10.783 -24.545 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -16.347 11.940 -24.889 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -15.678 9.858 -25.396 1.00 0.00 N ATOM 0 H GLN A 70 -17.478 10.369 -20.551 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.583 10.078 -20.823 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.449 12.170 -21.998 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.819 11.794 -22.521 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.785 9.388 -22.954 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.343 10.189 -22.905 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.489 8.911 -25.067 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.540 10.094 -26.379 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.156 12.756 -20.195 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.711 13.867 -19.362 1.00 0.00 C ATOM 1110 C LYS A 71 -14.780 14.952 -19.286 1.00 0.00 C ATOM 1111 O LYS A 71 -14.646 15.915 -18.531 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.410 14.455 -19.912 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.550 15.044 -21.305 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.296 15.793 -21.723 1.00 0.00 C ATOM 1115 CE LYS A 71 -10.128 14.845 -21.943 1.00 0.00 C ATOM 1116 NZ LYS A 71 -10.332 13.983 -23.141 1.00 0.00 N ATOM 0 H LYS A 71 -13.725 12.723 -21.119 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.533 13.486 -18.356 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.056 15.230 -19.233 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.648 13.676 -19.931 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.753 14.246 -22.019 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.404 15.720 -21.331 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.492 16.350 -22.640 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.034 16.523 -20.957 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.210 15.421 -22.062 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.999 14.217 -21.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.442 13.500 -23.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.066 13.275 -22.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.631 14.571 -23.945 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.840 14.789 -20.070 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.932 15.755 -20.090 1.00 0.00 C ATOM 1132 C GLU A 72 -18.235 15.115 -19.620 1.00 0.00 C ATOM 1133 O GLU A 72 -19.252 15.791 -19.468 1.00 0.00 O ATOM 1134 CB GLU A 72 -17.111 16.327 -21.498 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.822 16.843 -22.114 1.00 0.00 C ATOM 1136 CD GLU A 72 -16.065 17.717 -23.330 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -16.355 17.161 -24.410 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -15.964 18.955 -23.201 1.00 0.00 O ATOM 0 H GLU A 72 -15.966 13.997 -20.700 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.678 16.565 -19.406 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.529 15.555 -22.144 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.837 17.139 -21.461 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.269 17.412 -21.367 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.196 15.997 -22.398 1.00 0.00 H new ATOM 1145 N SER A 73 -18.195 13.806 -19.392 1.00 0.00 N ATOM 1146 CA SER A 73 -19.372 13.072 -18.943 1.00 0.00 C ATOM 1147 C SER A 73 -19.984 13.728 -17.709 1.00 0.00 C ATOM 1148 O SER A 73 -19.309 14.455 -16.978 1.00 0.00 O ATOM 1149 CB SER A 73 -19.007 11.619 -18.634 1.00 0.00 C ATOM 1150 OG SER A 73 -19.729 11.139 -17.513 1.00 0.00 O ATOM 0 H SER A 73 -17.360 13.232 -19.511 1.00 0.00 H new ATOM 0 HA SER A 73 -20.109 13.091 -19.746 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.220 10.995 -19.502 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.937 11.543 -18.441 1.00 0.00 H new ATOM 0 HG SER A 73 -19.283 11.427 -16.689 1.00 0.00 H new ATOM 1156 N THR A 74 -21.268 13.467 -17.482 1.00 0.00 N ATOM 1157 CA THR A 74 -21.972 14.032 -16.338 1.00 0.00 C ATOM 1158 C THR A 74 -22.360 12.947 -15.340 1.00 0.00 C ATOM 1159 O THR A 74 -23.100 12.020 -15.672 1.00 0.00 O ATOM 1160 CB THR A 74 -23.241 14.788 -16.777 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.070 15.303 -18.101 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.550 15.928 -15.819 1.00 0.00 C ATOM 0 H THR A 74 -21.841 12.868 -18.076 1.00 0.00 H new ATOM 0 HA THR A 74 -21.287 14.733 -15.860 1.00 0.00 H new ATOM 0 HB THR A 74 -24.077 14.089 -16.765 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.881 15.781 -18.374 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.450 16.447 -16.149 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.708 15.529 -14.817 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.713 16.627 -15.803 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.856 13.067 -14.117 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.151 12.096 -13.069 1.00 0.00 C ATOM 1172 C LEU A 75 -23.190 12.643 -12.096 1.00 0.00 C ATOM 1173 O LEU A 75 -23.323 13.856 -11.931 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.872 11.727 -12.315 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.182 10.435 -12.755 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.120 9.248 -12.597 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -19.703 10.550 -14.194 1.00 0.00 C ATOM 0 H LEU A 75 -21.241 13.827 -13.826 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.559 11.202 -13.540 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.163 12.548 -12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.110 11.645 -11.254 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.314 10.274 -12.116 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.612 8.338 -12.915 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.414 9.153 -11.552 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.007 9.401 -13.211 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.215 9.622 -14.490 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.555 10.736 -14.847 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -18.995 11.375 -14.277 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.922 11.740 -11.451 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.948 12.133 -10.491 1.00 0.00 C ATOM 1191 C HIS A 76 -24.854 11.291 -9.222 1.00 0.00 C ATOM 1192 O HIS A 76 -24.934 10.063 -9.271 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.338 11.989 -11.110 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.688 13.094 -12.059 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.143 14.327 -11.642 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.647 13.147 -13.411 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.368 15.091 -12.697 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.074 14.398 -13.782 1.00 0.00 N ATOM 0 H HIS A 76 -23.824 10.732 -11.575 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.783 13.178 -10.227 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.395 11.037 -11.637 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -27.080 11.957 -10.313 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -26.336 12.353 -14.074 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.730 16.108 -12.675 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.152 14.737 -14.741 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.683 11.959 -8.086 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.577 11.273 -6.803 1.00 0.00 C ATOM 1208 C LEU A 77 -25.928 11.231 -6.096 1.00 0.00 C ATOM 1209 O LEU A 77 -26.475 12.266 -5.717 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.545 11.968 -5.914 1.00 0.00 C ATOM 1211 CG LEU A 77 -22.340 12.576 -6.634 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -21.515 13.419 -5.674 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -21.485 11.484 -7.258 1.00 0.00 C ATOM 0 H LEU A 77 -24.615 12.975 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.254 10.249 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -24.048 12.759 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -23.180 11.247 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 77 -22.705 13.223 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -20.662 13.844 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -22.132 14.224 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -21.159 12.794 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -20.632 11.935 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.128 10.811 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.080 10.922 -7.978 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.460 10.025 -5.919 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.745 9.847 -5.254 1.00 0.00 C ATOM 1227 C VAL A 78 -27.577 9.139 -3.914 1.00 0.00 C ATOM 1228 O VAL A 78 -26.960 8.076 -3.834 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.723 9.040 -6.129 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.298 9.915 -7.232 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.031 7.818 -6.712 1.00 0.00 C ATOM 0 H VAL A 78 -26.021 9.158 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 78 -28.155 10.843 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.547 8.698 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.987 9.328 -7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.831 10.756 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.489 10.289 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.736 7.259 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.187 8.135 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.673 7.182 -5.903 1.00 0.00 H new ATOM 1241 N LEU A 79 -28.130 9.735 -2.863 1.00 0.00 N ATOM 1242 CA LEU A 79 -28.042 9.162 -1.525 1.00 0.00 C ATOM 1243 C LEU A 79 -29.204 8.208 -1.263 1.00 0.00 C ATOM 1244 O LEU A 79 -30.344 8.488 -1.633 1.00 0.00 O ATOM 1245 CB LEU A 79 -28.032 10.272 -0.472 1.00 0.00 C ATOM 1246 CG LEU A 79 -26.654 10.781 -0.047 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.833 11.180 -1.264 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -26.792 11.953 0.913 1.00 0.00 C ATOM 0 H LEU A 79 -28.644 10.615 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 79 -27.111 8.599 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.606 11.115 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.553 9.909 0.414 1.00 0.00 H new ATOM 0 HG LEU A 79 -26.133 9.974 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -24.856 11.540 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.705 10.316 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -26.349 11.971 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -25.802 12.303 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -27.333 12.763 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -27.340 11.635 1.799 1.00 0.00 H new