USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 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 Single : A 8 SER OG : rot 32:sc= 0.307 USER MOD Single : A 9 MET CE :methyl -163:sc= -0.0361 (180deg=-0.408) USER MOD Single : A 10 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0654) USER MOD Single : A 15 THR OG1 : rot -82:sc= 0.492 USER MOD Single : A 17 THR OG1 : rot -46:sc= 1.08 USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= -0.206 (180deg=-1.98!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.998 USER MOD Single : A 33 ASN : amide:sc= -0.628 K(o=-0.63,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ -143:sc= 0.495 (180deg=-1.69) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0951 K(o=-0.095,f=-1.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.3! C(o=-2.3!,f=-3.2!) USER MOD Single : A 49 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.7!) USER MOD Single : A 63 THR OG1 : rot -110:sc= -1.3 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 150:sc= 0.197 USER MOD Single : A 68 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.051) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -90:sc= 0.731 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 -4.001 10.660 -16.801 1.00 0.00 N ATOM 100 CA SER A 8 -5.061 11.167 -15.937 1.00 0.00 C ATOM 101 C SER A 8 -6.161 11.830 -16.760 1.00 0.00 C ATOM 102 O SER A 8 -5.952 12.194 -17.917 1.00 0.00 O ATOM 103 CB SER A 8 -4.492 12.165 -14.927 1.00 0.00 C ATOM 104 OG SER A 8 -3.280 11.690 -14.368 1.00 0.00 O ATOM 0 HA SER A 8 -5.492 10.323 -15.399 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.319 13.124 -15.416 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.219 12.338 -14.133 1.00 0.00 H new ATOM 0 HG SER A 8 -2.805 11.147 -15.031 1.00 0.00 H new ATOM 110 N MET A 9 -7.334 11.983 -16.154 1.00 0.00 N ATOM 111 CA MET A 9 -8.468 12.604 -16.830 1.00 0.00 C ATOM 112 C MET A 9 -9.437 13.210 -15.820 1.00 0.00 C ATOM 113 O MET A 9 -9.768 12.585 -14.813 1.00 0.00 O ATOM 114 CB MET A 9 -9.195 11.577 -17.700 1.00 0.00 C ATOM 115 CG MET A 9 -10.549 12.053 -18.199 1.00 0.00 C ATOM 116 SD MET A 9 -11.361 10.846 -19.265 1.00 0.00 S ATOM 117 CE MET A 9 -10.300 10.902 -20.707 1.00 0.00 C ATOM 0 H MET A 9 -7.524 11.686 -15.197 1.00 0.00 H new ATOM 0 HA MET A 9 -8.087 13.403 -17.466 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.568 11.330 -18.556 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.330 10.659 -17.128 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.191 12.268 -17.345 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.422 12.987 -18.746 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.817 10.456 -21.557 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.052 11.938 -20.936 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.384 10.346 -20.507 1.00 0.00 H new ATOM 127 N GLN A 10 -9.888 14.429 -16.097 1.00 0.00 N ATOM 128 CA GLN A 10 -10.819 15.119 -15.212 1.00 0.00 C ATOM 129 C GLN A 10 -12.254 14.963 -15.703 1.00 0.00 C ATOM 130 O GLN A 10 -12.523 15.048 -16.902 1.00 0.00 O ATOM 131 CB GLN A 10 -10.458 16.602 -15.113 1.00 0.00 C ATOM 132 CG GLN A 10 -10.763 17.213 -13.755 1.00 0.00 C ATOM 133 CD GLN A 10 -9.993 18.495 -13.507 1.00 0.00 C ATOM 134 OE1 GLN A 10 -9.011 18.510 -12.763 1.00 0.00 O ATOM 135 NE2 GLN A 10 -10.435 19.582 -14.130 1.00 0.00 N ATOM 0 H GLN A 10 -9.624 14.959 -16.927 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.743 14.668 -14.223 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.396 16.724 -15.327 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.003 17.152 -15.880 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.832 17.416 -13.684 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.522 16.492 -12.974 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.252 19.525 -14.738 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.957 20.474 -14.001 1.00 0.00 H new ATOM 144 N ILE A 11 -13.172 14.736 -14.770 1.00 0.00 N ATOM 145 CA ILE A 11 -14.580 14.570 -15.108 1.00 0.00 C ATOM 146 C ILE A 11 -15.455 15.532 -14.312 1.00 0.00 C ATOM 147 O ILE A 11 -15.024 16.088 -13.301 1.00 0.00 O ATOM 148 CB ILE A 11 -15.055 13.128 -14.849 1.00 0.00 C ATOM 149 CG1 ILE A 11 -14.999 12.811 -13.353 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.208 12.141 -15.638 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.552 11.447 -13.003 1.00 0.00 C ATOM 0 H ILE A 11 -12.966 14.663 -13.774 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.677 14.791 -16.171 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.089 13.036 -15.182 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.964 12.872 -13.015 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.558 13.572 -12.808 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.556 11.126 -15.444 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.295 12.357 -16.703 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.165 12.231 -15.333 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.480 11.291 -11.927 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.596 11.388 -13.309 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.978 10.678 -13.520 1.00 0.00 H new ATOM 163 N PHE A 12 -16.686 15.724 -14.773 1.00 0.00 N ATOM 164 CA PHE A 12 -17.622 16.619 -14.104 1.00 0.00 C ATOM 165 C PHE A 12 -18.775 15.835 -13.483 1.00 0.00 C ATOM 166 O PHE A 12 -19.423 15.029 -14.150 1.00 0.00 O ATOM 167 CB PHE A 12 -18.168 17.653 -15.092 1.00 0.00 C ATOM 168 CG PHE A 12 -17.096 18.460 -15.768 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.240 19.258 -15.026 1.00 0.00 C ATOM 170 CD2 PHE A 12 -16.945 18.419 -17.144 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.254 20.002 -15.646 1.00 0.00 C ATOM 172 CE2 PHE A 12 -15.960 19.161 -17.770 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.113 19.952 -17.019 1.00 0.00 C ATOM 0 H PHE A 12 -17.059 15.271 -15.608 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.086 17.135 -13.308 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.760 17.141 -15.851 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.842 18.328 -14.564 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.344 19.299 -13.952 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.604 17.800 -17.735 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.594 20.622 -15.057 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.853 19.122 -18.844 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.341 20.531 -17.505 1.00 0.00 H new ATOM 183 N VAL A 13 -19.024 16.077 -12.200 1.00 0.00 N ATOM 184 CA VAL A 13 -20.097 15.395 -11.487 1.00 0.00 C ATOM 185 C VAL A 13 -21.012 16.393 -10.785 1.00 0.00 C ATOM 186 O VAL A 13 -20.555 17.410 -10.263 1.00 0.00 O ATOM 187 CB VAL A 13 -19.540 14.406 -10.447 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.666 13.586 -9.833 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.494 13.500 -11.079 1.00 0.00 C ATOM 0 H VAL A 13 -18.497 16.741 -11.633 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.670 14.843 -12.232 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.061 14.975 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.253 12.892 -9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.376 14.252 -9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.176 13.025 -10.616 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.111 12.808 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.946 12.937 -11.896 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.674 14.105 -11.466 1.00 0.00 H new ATOM 199 N LYS A 14 -22.306 16.095 -10.775 1.00 0.00 N ATOM 200 CA LYS A 14 -23.287 16.964 -10.136 1.00 0.00 C ATOM 201 C LYS A 14 -23.707 16.405 -8.780 1.00 0.00 C ATOM 202 O LYS A 14 -23.845 15.193 -8.612 1.00 0.00 O ATOM 203 CB LYS A 14 -24.515 17.129 -11.034 1.00 0.00 C ATOM 204 CG LYS A 14 -24.426 18.319 -11.974 1.00 0.00 C ATOM 205 CD LYS A 14 -23.780 17.938 -13.296 1.00 0.00 C ATOM 206 CE LYS A 14 -23.711 19.125 -14.245 1.00 0.00 C ATOM 207 NZ LYS A 14 -25.060 19.530 -14.726 1.00 0.00 N ATOM 0 H LYS A 14 -22.701 15.257 -11.203 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.825 17.939 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.649 16.221 -11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.401 17.237 -10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.425 18.715 -12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.849 19.114 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.775 17.557 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.348 17.132 -13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.238 19.967 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.082 18.871 -15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.961 20.237 -15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.562 18.697 -15.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.601 19.940 -13.938 1.00 0.00 H new ATOM 221 N THR A 15 -23.911 17.297 -7.815 1.00 0.00 N ATOM 222 CA THR A 15 -24.316 16.893 -6.475 1.00 0.00 C ATOM 223 C THR A 15 -25.806 17.130 -6.256 1.00 0.00 C ATOM 224 O THR A 15 -26.516 17.564 -7.164 1.00 0.00 O ATOM 225 CB THR A 15 -23.523 17.653 -5.395 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.814 19.054 -5.469 1.00 0.00 O ATOM 227 CG2 THR A 15 -22.028 17.431 -5.565 1.00 0.00 C ATOM 0 H THR A 15 -23.802 18.304 -7.937 1.00 0.00 H new ATOM 0 HA THR A 15 -24.104 15.827 -6.389 1.00 0.00 H new ATOM 0 HB THR A 15 -23.822 17.271 -4.419 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.270 19.464 -6.174 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.489 17.977 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.806 16.367 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.716 17.789 -6.546 1.00 0.00 H new ATOM 235 N LEU A 16 -26.275 16.842 -5.046 1.00 0.00 N ATOM 236 CA LEU A 16 -27.682 17.025 -4.707 1.00 0.00 C ATOM 237 C LEU A 16 -28.016 18.504 -4.546 1.00 0.00 C ATOM 238 O LEU A 16 -29.167 18.913 -4.699 1.00 0.00 O ATOM 239 CB LEU A 16 -28.018 16.271 -3.420 1.00 0.00 C ATOM 240 CG LEU A 16 -27.832 14.754 -3.461 1.00 0.00 C ATOM 241 CD1 LEU A 16 -27.862 14.173 -2.056 1.00 0.00 C ATOM 242 CD2 LEU A 16 -28.901 14.108 -4.330 1.00 0.00 C ATOM 0 H LEU A 16 -25.701 16.481 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.282 16.624 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -27.399 16.671 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -29.055 16.483 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.857 14.540 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.728 13.092 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.059 14.611 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.821 14.398 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -28.752 13.028 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -29.886 14.332 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -28.831 14.500 -5.345 1.00 0.00 H new ATOM 254 N THR A 17 -27.000 19.305 -4.238 1.00 0.00 N ATOM 255 CA THR A 17 -27.185 20.739 -4.058 1.00 0.00 C ATOM 256 C THR A 17 -26.872 21.500 -5.341 1.00 0.00 C ATOM 257 O THR A 17 -26.434 22.649 -5.303 1.00 0.00 O ATOM 258 CB THR A 17 -26.295 21.282 -2.923 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.568 22.671 -2.708 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.822 21.095 -3.254 1.00 0.00 C ATOM 0 H THR A 17 -26.041 18.984 -4.108 1.00 0.00 H new ATOM 0 HA THR A 17 -28.232 20.892 -3.795 1.00 0.00 H new ATOM 0 HB THR A 17 -26.521 20.723 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.595 23.136 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 17 -24.213 21.486 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.611 20.034 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.585 21.631 -4.173 1.00 0.00 H new ATOM 268 N GLY A 18 -27.100 20.851 -6.479 1.00 0.00 N ATOM 269 CA GLY A 18 -26.837 21.482 -7.759 1.00 0.00 C ATOM 270 C GLY A 18 -25.435 22.050 -7.848 1.00 0.00 C ATOM 271 O GLY A 18 -25.193 23.018 -8.570 1.00 0.00 O ATOM 0 H GLY A 18 -27.462 19.899 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.982 20.753 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.560 22.281 -7.922 1.00 0.00 H new ATOM 275 N LYS A 19 -24.507 21.449 -7.111 1.00 0.00 N ATOM 276 CA LYS A 19 -23.120 21.900 -7.109 1.00 0.00 C ATOM 277 C LYS A 19 -22.231 20.930 -7.880 1.00 0.00 C ATOM 278 O LYS A 19 -22.221 19.729 -7.606 1.00 0.00 O ATOM 279 CB LYS A 19 -22.611 22.044 -5.673 1.00 0.00 C ATOM 280 CG LYS A 19 -21.116 22.295 -5.579 1.00 0.00 C ATOM 281 CD LYS A 19 -20.342 20.998 -5.417 1.00 0.00 C ATOM 282 CE LYS A 19 -18.950 21.246 -4.857 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.460 20.090 -4.056 1.00 0.00 N ATOM 0 H LYS A 19 -24.690 20.648 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.080 22.872 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.140 22.866 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.854 21.138 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.776 22.813 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.909 22.951 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.888 20.328 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.263 20.497 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.258 21.439 -5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.963 22.140 -4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.350 20.378 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.146 19.310 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.542 19.774 -4.429 1.00 0.00 H new ATOM 297 N THR A 20 -21.483 21.458 -8.844 1.00 0.00 N ATOM 298 CA THR A 20 -20.590 20.639 -9.653 1.00 0.00 C ATOM 299 C THR A 20 -19.219 20.508 -9.000 1.00 0.00 C ATOM 300 O THR A 20 -18.577 21.509 -8.678 1.00 0.00 O ATOM 301 CB THR A 20 -20.418 21.224 -11.068 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.619 21.891 -11.471 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.079 20.130 -12.069 1.00 0.00 C ATOM 0 H THR A 20 -21.478 22.450 -9.083 1.00 0.00 H new ATOM 0 HA THR A 20 -21.049 19.653 -9.728 1.00 0.00 H new ATOM 0 HB THR A 20 -19.596 21.939 -11.044 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.501 22.262 -12.371 1.00 0.00 H new ATOM 0 HG21 THR A 20 -19.962 20.567 -13.061 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.149 19.644 -11.775 1.00 0.00 H new ATOM 0 HG23 THR A 20 -20.883 19.394 -12.089 1.00 0.00 H new ATOM 311 N ILE A 21 -18.776 19.271 -8.807 1.00 0.00 N ATOM 312 CA ILE A 21 -17.480 19.011 -8.193 1.00 0.00 C ATOM 313 C ILE A 21 -16.524 18.355 -9.184 1.00 0.00 C ATOM 314 O ILE A 21 -16.890 17.413 -9.888 1.00 0.00 O ATOM 315 CB ILE A 21 -17.615 18.108 -6.953 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.232 17.726 -6.420 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.421 16.863 -7.290 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.740 16.386 -6.923 1.00 0.00 C ATOM 0 H ILE A 21 -19.295 18.433 -9.067 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.077 19.976 -7.887 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.143 18.660 -6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.516 18.497 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.264 17.707 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.508 16.235 -6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.416 17.154 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.918 16.307 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.755 16.180 -6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.435 15.605 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.676 16.407 -8.011 1.00 0.00 H new ATOM 330 N THR A 22 -15.294 18.858 -9.233 1.00 0.00 N ATOM 331 CA THR A 22 -14.284 18.321 -10.136 1.00 0.00 C ATOM 332 C THR A 22 -13.598 17.101 -9.532 1.00 0.00 C ATOM 333 O THR A 22 -13.136 17.138 -8.391 1.00 0.00 O ATOM 334 CB THR A 22 -13.217 19.379 -10.478 1.00 0.00 C ATOM 335 OG1 THR A 22 -13.826 20.670 -10.593 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.507 19.030 -11.778 1.00 0.00 C ATOM 0 H THR A 22 -14.974 19.637 -8.657 1.00 0.00 H new ATOM 0 HA THR A 22 -14.801 18.028 -11.050 1.00 0.00 H new ATOM 0 HB THR A 22 -12.482 19.395 -9.673 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.141 21.337 -10.809 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.758 19.791 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.020 18.060 -11.678 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.233 18.989 -12.590 1.00 0.00 H new ATOM 344 N LEU A 23 -13.535 16.022 -10.304 1.00 0.00 N ATOM 345 CA LEU A 23 -12.904 14.789 -9.844 1.00 0.00 C ATOM 346 C LEU A 23 -11.910 14.269 -10.877 1.00 0.00 C ATOM 347 O LEU A 23 -12.166 14.320 -12.080 1.00 0.00 O ATOM 348 CB LEU A 23 -13.965 13.725 -9.560 1.00 0.00 C ATOM 349 CG LEU A 23 -13.647 12.746 -8.429 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.439 13.491 -7.120 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.759 11.716 -8.287 1.00 0.00 C ATOM 0 H LEU A 23 -13.913 15.975 -11.250 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.363 15.008 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -14.902 14.229 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.131 13.153 -10.473 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.723 12.223 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.214 12.778 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.609 14.189 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.345 14.041 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.516 11.028 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.698 12.223 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.860 11.159 -9.219 1.00 0.00 H new ATOM 363 N GLU A 24 -10.775 13.767 -10.399 1.00 0.00 N ATOM 364 CA GLU A 24 -9.744 13.235 -11.282 1.00 0.00 C ATOM 365 C GLU A 24 -9.789 11.711 -11.317 1.00 0.00 C ATOM 366 O GLU A 24 -9.551 11.048 -10.307 1.00 0.00 O ATOM 367 CB GLU A 24 -8.360 13.705 -10.827 1.00 0.00 C ATOM 368 CG GLU A 24 -8.021 15.118 -11.271 1.00 0.00 C ATOM 369 CD GLU A 24 -6.803 15.676 -10.561 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.687 15.177 -10.818 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.965 16.610 -9.749 1.00 0.00 O ATOM 0 H GLU A 24 -10.547 13.718 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.935 13.609 -12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.307 13.652 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.607 13.020 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.845 15.124 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.876 15.768 -11.084 1.00 0.00 H new ATOM 378 N VAL A 25 -10.098 11.160 -12.487 1.00 0.00 N ATOM 379 CA VAL A 25 -10.174 9.714 -12.654 1.00 0.00 C ATOM 380 C VAL A 25 -9.737 9.299 -14.055 1.00 0.00 C ATOM 381 O VAL A 25 -9.986 10.009 -15.028 1.00 0.00 O ATOM 382 CB VAL A 25 -11.601 9.194 -12.399 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.615 10.002 -13.195 1.00 0.00 C ATOM 384 CG2 VAL A 25 -11.699 7.715 -12.742 1.00 0.00 C ATOM 0 H VAL A 25 -10.300 11.693 -13.333 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.498 9.275 -11.920 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.828 9.314 -11.340 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.617 9.620 -13.002 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.562 11.049 -12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.393 9.917 -14.259 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.714 7.365 -12.556 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.452 7.568 -13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.001 7.151 -12.123 1.00 0.00 H new ATOM 394 N GLU A 26 -9.085 8.144 -14.148 1.00 0.00 N ATOM 395 CA GLU A 26 -8.613 7.635 -15.430 1.00 0.00 C ATOM 396 C GLU A 26 -9.725 6.891 -16.163 1.00 0.00 C ATOM 397 O GLU A 26 -10.688 6.414 -15.562 1.00 0.00 O ATOM 398 CB GLU A 26 -7.413 6.708 -15.225 1.00 0.00 C ATOM 399 CG GLU A 26 -6.523 7.112 -14.062 1.00 0.00 C ATOM 400 CD GLU A 26 -5.228 6.324 -14.017 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.551 6.234 -15.062 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.891 5.799 -12.935 1.00 0.00 O ATOM 0 H GLU A 26 -8.872 7.544 -13.351 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.306 8.486 -16.039 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.773 5.693 -15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.818 6.691 -16.138 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.295 8.175 -14.136 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.065 6.967 -13.127 1.00 0.00 H new ATOM 409 N PRO A 27 -9.591 6.789 -17.493 1.00 0.00 N ATOM 410 CA PRO A 27 -10.575 6.105 -18.338 1.00 0.00 C ATOM 411 C PRO A 27 -10.572 4.595 -18.124 1.00 0.00 C ATOM 412 O PRO A 27 -11.466 3.890 -18.592 1.00 0.00 O ATOM 413 CB PRO A 27 -10.119 6.444 -19.759 1.00 0.00 C ATOM 414 CG PRO A 27 -8.660 6.717 -19.634 1.00 0.00 C ATOM 415 CD PRO A 27 -8.469 7.334 -18.276 1.00 0.00 C ATOM 0 HA PRO A 27 -11.594 6.422 -18.116 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.310 5.618 -20.444 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.652 7.311 -20.149 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.081 5.798 -19.730 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.320 7.391 -20.420 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.507 7.062 -17.843 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.502 8.423 -18.321 1.00 0.00 H new ATOM 423 N SER A 28 -9.562 4.105 -17.413 1.00 0.00 N ATOM 424 CA SER A 28 -9.441 2.677 -17.139 1.00 0.00 C ATOM 425 C SER A 28 -9.689 2.384 -15.663 1.00 0.00 C ATOM 426 O SER A 28 -9.514 1.255 -15.204 1.00 0.00 O ATOM 427 CB SER A 28 -8.055 2.174 -17.545 1.00 0.00 C ATOM 428 OG SER A 28 -7.481 3.005 -18.539 1.00 0.00 O ATOM 0 H SER A 28 -8.815 4.675 -17.016 1.00 0.00 H new ATOM 0 HA SER A 28 -10.196 2.154 -17.727 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.405 2.145 -16.671 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.131 1.153 -17.919 1.00 0.00 H new ATOM 0 HG SER A 28 -6.595 2.663 -18.780 1.00 0.00 H new ATOM 434 N ASP A 29 -10.098 3.409 -14.923 1.00 0.00 N ATOM 435 CA ASP A 29 -10.372 3.263 -13.498 1.00 0.00 C ATOM 436 C ASP A 29 -11.776 2.713 -13.268 1.00 0.00 C ATOM 437 O ASP A 29 -12.714 3.052 -13.990 1.00 0.00 O ATOM 438 CB ASP A 29 -10.215 4.608 -12.787 1.00 0.00 C ATOM 439 CG ASP A 29 -8.781 4.886 -12.382 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.898 4.077 -12.737 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.541 5.911 -11.710 1.00 0.00 O ATOM 0 H ASP A 29 -10.247 4.350 -15.287 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.652 2.556 -13.085 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.565 5.405 -13.443 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.849 4.623 -11.901 1.00 0.00 H new ATOM 446 N THR A 30 -11.913 1.859 -12.258 1.00 0.00 N ATOM 447 CA THR A 30 -13.201 1.259 -11.934 1.00 0.00 C ATOM 448 C THR A 30 -14.042 2.195 -11.073 1.00 0.00 C ATOM 449 O THR A 30 -13.542 3.193 -10.554 1.00 0.00 O ATOM 450 CB THR A 30 -13.026 -0.081 -11.195 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.006 0.039 -10.196 1.00 0.00 O ATOM 452 CG2 THR A 30 -12.662 -1.192 -12.168 1.00 0.00 C ATOM 0 H THR A 30 -11.147 1.568 -11.650 1.00 0.00 H new ATOM 0 HA THR A 30 -13.714 1.080 -12.879 1.00 0.00 H new ATOM 0 HB THR A 30 -13.973 -0.333 -10.718 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.677 -0.852 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.544 -2.129 -11.623 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.454 -1.301 -12.909 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.727 -0.944 -12.670 1.00 0.00 H new ATOM 460 N ILE A 31 -15.321 1.866 -10.927 1.00 0.00 N ATOM 461 CA ILE A 31 -16.231 2.677 -10.127 1.00 0.00 C ATOM 462 C ILE A 31 -15.670 2.916 -8.729 1.00 0.00 C ATOM 463 O ILE A 31 -15.769 4.018 -8.191 1.00 0.00 O ATOM 464 CB ILE A 31 -17.616 2.016 -10.006 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.230 1.809 -11.393 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.534 2.863 -9.137 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.366 3.087 -12.190 1.00 0.00 C ATOM 0 H ILE A 31 -15.750 1.044 -11.352 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.337 3.632 -10.641 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.496 1.042 -9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.614 1.105 -11.953 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.214 1.353 -11.282 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.509 2.382 -9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.101 2.965 -8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.650 3.850 -9.585 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.808 2.865 -13.161 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.006 3.785 -11.651 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.382 3.533 -12.333 1.00 0.00 H new ATOM 479 N GLU A 32 -15.081 1.876 -8.148 1.00 0.00 N ATOM 480 CA GLU A 32 -14.503 1.974 -6.813 1.00 0.00 C ATOM 481 C GLU A 32 -13.479 3.103 -6.744 1.00 0.00 C ATOM 482 O GLU A 32 -13.324 3.752 -5.711 1.00 0.00 O ATOM 483 CB GLU A 32 -13.845 0.649 -6.420 1.00 0.00 C ATOM 484 CG GLU A 32 -12.812 0.162 -7.421 1.00 0.00 C ATOM 485 CD GLU A 32 -11.988 -0.996 -6.893 1.00 0.00 C ATOM 486 OE1 GLU A 32 -12.182 -1.376 -5.719 1.00 0.00 O ATOM 487 OE2 GLU A 32 -11.149 -1.523 -7.654 1.00 0.00 O ATOM 0 H GLU A 32 -14.991 0.957 -8.580 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.308 2.194 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.369 0.764 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.618 -0.112 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.316 -0.144 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.148 0.986 -7.682 1.00 0.00 H new ATOM 494 N ASN A 33 -12.783 3.330 -7.853 1.00 0.00 N ATOM 495 CA ASN A 33 -11.772 4.380 -7.919 1.00 0.00 C ATOM 496 C ASN A 33 -12.423 5.754 -8.048 1.00 0.00 C ATOM 497 O ASN A 33 -11.947 6.735 -7.475 1.00 0.00 O ATOM 498 CB ASN A 33 -10.831 4.137 -9.100 1.00 0.00 C ATOM 499 CG ASN A 33 -9.740 3.136 -8.774 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.923 2.252 -7.936 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.596 3.271 -9.435 1.00 0.00 N ATOM 0 H ASN A 33 -12.900 2.802 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.197 4.355 -6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.408 3.777 -9.952 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.376 5.081 -9.399 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.825 2.627 -9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.488 4.018 -10.121 1.00 0.00 H new ATOM 508 N VAL A 34 -13.515 5.817 -8.803 1.00 0.00 N ATOM 509 CA VAL A 34 -14.233 7.070 -9.005 1.00 0.00 C ATOM 510 C VAL A 34 -14.828 7.580 -7.698 1.00 0.00 C ATOM 511 O VAL A 34 -14.730 8.765 -7.378 1.00 0.00 O ATOM 512 CB VAL A 34 -15.361 6.909 -10.042 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.111 8.220 -10.223 1.00 0.00 C ATOM 514 CG2 VAL A 34 -14.800 6.419 -11.368 1.00 0.00 C ATOM 0 H VAL A 34 -13.922 5.015 -9.285 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.508 7.794 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.065 6.163 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.904 8.087 -10.959 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.547 8.524 -9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.421 8.989 -10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.611 6.311 -12.088 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.074 7.139 -11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.313 5.455 -11.223 1.00 0.00 H new ATOM 524 N LYS A 35 -15.447 6.678 -6.944 1.00 0.00 N ATOM 525 CA LYS A 35 -16.058 7.034 -5.669 1.00 0.00 C ATOM 526 C LYS A 35 -14.992 7.292 -4.608 1.00 0.00 C ATOM 527 O LYS A 35 -15.209 8.059 -3.671 1.00 0.00 O ATOM 528 CB LYS A 35 -16.998 5.921 -5.202 1.00 0.00 C ATOM 529 CG LYS A 35 -16.315 4.574 -5.042 1.00 0.00 C ATOM 530 CD LYS A 35 -15.777 4.385 -3.633 1.00 0.00 C ATOM 531 CE LYS A 35 -15.882 2.935 -3.187 1.00 0.00 C ATOM 532 NZ LYS A 35 -14.627 2.180 -3.456 1.00 0.00 N ATOM 0 H LYS A 35 -15.539 5.693 -7.194 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.632 7.949 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.443 6.209 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.814 5.822 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.022 3.777 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.498 4.492 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.736 4.704 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.331 5.020 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.107 2.898 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.713 2.455 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.861 1.210 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.095 2.651 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.047 2.152 -2.593 1.00 0.00 H new ATOM 546 N ALA A 36 -13.840 6.648 -4.765 1.00 0.00 N ATOM 547 CA ALA A 36 -12.740 6.811 -3.822 1.00 0.00 C ATOM 548 C ALA A 36 -12.366 8.280 -3.664 1.00 0.00 C ATOM 549 O ALA A 36 -12.046 8.735 -2.565 1.00 0.00 O ATOM 550 CB ALA A 36 -11.533 6.003 -4.276 1.00 0.00 C ATOM 0 H ALA A 36 -13.644 6.009 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.068 6.440 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.719 6.134 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.801 4.948 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.213 6.348 -5.259 1.00 0.00 H new ATOM 556 N LYS A 37 -12.409 9.019 -4.767 1.00 0.00 N ATOM 557 CA LYS A 37 -12.075 10.439 -4.751 1.00 0.00 C ATOM 558 C LYS A 37 -13.211 11.258 -4.147 1.00 0.00 C ATOM 559 O LYS A 37 -12.980 12.309 -3.549 1.00 0.00 O ATOM 560 CB LYS A 37 -11.777 10.929 -6.170 1.00 0.00 C ATOM 561 CG LYS A 37 -10.690 10.134 -6.873 1.00 0.00 C ATOM 562 CD LYS A 37 -9.350 10.282 -6.172 1.00 0.00 C ATOM 563 CE LYS A 37 -8.209 9.766 -7.036 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.123 8.280 -7.011 1.00 0.00 N ATOM 0 H LYS A 37 -12.672 8.658 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.187 10.571 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.691 10.880 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.480 11.977 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.971 9.081 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.601 10.472 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.179 11.331 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.369 9.736 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.349 10.104 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.268 10.190 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.333 7.968 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.964 7.958 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.011 7.875 -7.369 1.00 0.00 H new ATOM 578 N ILE A 38 -14.436 10.769 -4.306 1.00 0.00 N ATOM 579 CA ILE A 38 -15.607 11.455 -3.773 1.00 0.00 C ATOM 580 C ILE A 38 -15.560 11.522 -2.251 1.00 0.00 C ATOM 581 O ILE A 38 -16.083 12.456 -1.644 1.00 0.00 O ATOM 582 CB ILE A 38 -16.912 10.761 -4.206 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.051 10.791 -5.729 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.110 11.426 -3.545 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.205 12.186 -6.294 1.00 0.00 C ATOM 0 H ILE A 38 -14.644 9.901 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.592 12.467 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.876 9.720 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.174 10.322 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.915 10.193 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.025 10.924 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.013 11.356 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.152 12.475 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.298 12.131 -7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.098 12.651 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.330 12.782 -6.035 1.00 0.00 H new ATOM 597 N GLN A 39 -14.928 10.524 -1.640 1.00 0.00 N ATOM 598 CA GLN A 39 -14.812 10.471 -0.187 1.00 0.00 C ATOM 599 C GLN A 39 -14.189 11.752 0.357 1.00 0.00 C ATOM 600 O GLN A 39 -14.511 12.190 1.462 1.00 0.00 O ATOM 601 CB GLN A 39 -13.973 9.263 0.234 1.00 0.00 C ATOM 602 CG GLN A 39 -14.486 7.943 -0.319 1.00 0.00 C ATOM 603 CD GLN A 39 -14.192 6.772 0.599 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.527 6.924 1.624 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.688 5.596 0.234 1.00 0.00 N ATOM 0 H GLN A 39 -14.489 9.743 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.815 10.372 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.945 9.412 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.952 9.208 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.562 8.014 -0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.031 7.760 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.234 5.517 -0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.523 4.772 0.812 1.00 0.00 H new ATOM 614 N ASP A 40 -13.296 12.348 -0.425 1.00 0.00 N ATOM 615 CA ASP A 40 -12.628 13.580 -0.022 1.00 0.00 C ATOM 616 C ASP A 40 -13.549 14.782 -0.205 1.00 0.00 C ATOM 617 O ASP A 40 -13.370 15.819 0.436 1.00 0.00 O ATOM 618 CB ASP A 40 -11.345 13.778 -0.831 1.00 0.00 C ATOM 619 CG ASP A 40 -10.461 14.867 -0.256 1.00 0.00 C ATOM 620 OD1 ASP A 40 -9.959 14.690 0.874 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.270 15.896 -0.937 1.00 0.00 O ATOM 0 H ASP A 40 -13.018 11.998 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.373 13.497 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.789 12.841 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.603 14.029 -1.860 1.00 0.00 H new ATOM 626 N LYS A 41 -14.535 14.638 -1.083 1.00 0.00 N ATOM 627 CA LYS A 41 -15.486 15.711 -1.351 1.00 0.00 C ATOM 628 C LYS A 41 -16.601 15.721 -0.311 1.00 0.00 C ATOM 629 O LYS A 41 -16.908 16.761 0.272 1.00 0.00 O ATOM 630 CB LYS A 41 -16.081 15.554 -2.752 1.00 0.00 C ATOM 631 CG LYS A 41 -15.061 15.162 -3.807 1.00 0.00 C ATOM 632 CD LYS A 41 -14.025 16.255 -4.014 1.00 0.00 C ATOM 633 CE LYS A 41 -12.696 15.682 -4.482 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.579 16.648 -4.293 1.00 0.00 N ATOM 0 H LYS A 41 -14.697 13.787 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.952 16.660 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.867 14.800 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.551 16.493 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.563 14.239 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.570 14.959 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.392 16.972 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.879 16.801 -3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.481 14.766 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.768 15.411 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.691 16.220 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.771 17.512 -4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.494 16.887 -3.284 1.00 0.00 H new ATOM 648 N GLU A 42 -17.203 14.558 -0.083 1.00 0.00 N ATOM 649 CA GLU A 42 -18.285 14.435 0.887 1.00 0.00 C ATOM 650 C GLU A 42 -17.935 13.414 1.965 1.00 0.00 C ATOM 651 O GLU A 42 -18.293 13.577 3.131 1.00 0.00 O ATOM 652 CB GLU A 42 -19.584 14.031 0.188 1.00 0.00 C ATOM 653 CG GLU A 42 -20.162 15.120 -0.700 1.00 0.00 C ATOM 654 CD GLU A 42 -20.609 16.337 0.086 1.00 0.00 C ATOM 655 OE1 GLU A 42 -20.823 16.207 1.309 1.00 0.00 O ATOM 656 OE2 GLU A 42 -20.745 17.419 -0.522 1.00 0.00 O ATOM 0 H GLU A 42 -16.960 13.688 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.425 15.406 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.401 13.142 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.323 13.759 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.414 15.421 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.010 14.719 -1.255 1.00 0.00 H new ATOM 663 N GLY A 43 -17.232 12.358 1.566 1.00 0.00 N ATOM 664 CA GLY A 43 -16.845 11.324 2.508 1.00 0.00 C ATOM 665 C GLY A 43 -18.007 10.434 2.901 1.00 0.00 C ATOM 666 O GLY A 43 -18.424 10.421 4.060 1.00 0.00 O ATOM 0 H GLY A 43 -16.924 12.200 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.056 10.713 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.428 11.788 3.402 1.00 0.00 H new ATOM 670 N ILE A 44 -18.532 9.688 1.934 1.00 0.00 N ATOM 671 CA ILE A 44 -19.653 8.791 2.185 1.00 0.00 C ATOM 672 C ILE A 44 -19.324 7.366 1.754 1.00 0.00 C ATOM 673 O ILE A 44 -18.522 7.134 0.850 1.00 0.00 O ATOM 674 CB ILE A 44 -20.924 9.258 1.450 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.592 9.638 0.005 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.558 10.432 2.180 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.793 10.102 -0.788 1.00 0.00 C ATOM 0 H ILE A 44 -18.199 9.687 0.970 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.837 8.810 3.259 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.640 8.436 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.842 10.429 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.146 8.778 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.455 10.750 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.825 10.130 3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.849 11.259 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.484 10.355 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.536 9.305 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.226 10.981 -0.311 1.00 0.00 H new ATOM 689 N PRO A 45 -19.960 6.387 2.415 1.00 0.00 N ATOM 690 CA PRO A 45 -19.752 4.966 2.116 1.00 0.00 C ATOM 691 C PRO A 45 -20.336 4.567 0.765 1.00 0.00 C ATOM 692 O PRO A 45 -21.096 5.312 0.145 1.00 0.00 O ATOM 693 CB PRO A 45 -20.493 4.253 3.250 1.00 0.00 C ATOM 694 CG PRO A 45 -21.531 5.225 3.694 1.00 0.00 C ATOM 695 CD PRO A 45 -20.929 6.590 3.504 1.00 0.00 C ATOM 0 HA PRO A 45 -18.694 4.713 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.944 3.323 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.816 3.996 4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.444 5.116 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.800 5.059 4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.685 7.329 3.237 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.443 6.945 4.413 1.00 0.00 H new ATOM 703 N PRO A 46 -19.974 3.365 0.295 1.00 0.00 N ATOM 704 CA PRO A 46 -20.451 2.839 -0.988 1.00 0.00 C ATOM 705 C PRO A 46 -21.934 2.488 -0.954 1.00 0.00 C ATOM 706 O PRO A 46 -22.600 2.465 -1.990 1.00 0.00 O ATOM 707 CB PRO A 46 -19.608 1.578 -1.191 1.00 0.00 C ATOM 708 CG PRO A 46 -19.219 1.157 0.185 1.00 0.00 C ATOM 709 CD PRO A 46 -19.070 2.424 0.979 1.00 0.00 C ATOM 0 HA PRO A 46 -20.349 3.569 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.177 0.799 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.731 1.783 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.977 0.509 0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.286 0.593 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.354 2.280 2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.040 2.782 0.975 1.00 0.00 H new ATOM 717 N ASP A 47 -22.446 2.216 0.241 1.00 0.00 N ATOM 718 CA ASP A 47 -23.852 1.867 0.409 1.00 0.00 C ATOM 719 C ASP A 47 -24.740 3.098 0.251 1.00 0.00 C ATOM 720 O ASP A 47 -25.846 3.012 -0.281 1.00 0.00 O ATOM 721 CB ASP A 47 -24.081 1.231 1.781 1.00 0.00 C ATOM 722 CG ASP A 47 -23.823 -0.263 1.776 1.00 0.00 C ATOM 723 OD1 ASP A 47 -22.659 -0.665 1.987 1.00 0.00 O ATOM 724 OD2 ASP A 47 -24.785 -1.031 1.562 1.00 0.00 O ATOM 0 H ASP A 47 -21.909 2.230 1.108 1.00 0.00 H new ATOM 0 HA ASP A 47 -24.117 1.147 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.428 1.707 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -25.107 1.419 2.099 1.00 0.00 H new ATOM 729 N GLN A 48 -24.247 4.241 0.718 1.00 0.00 N ATOM 730 CA GLN A 48 -24.997 5.488 0.630 1.00 0.00 C ATOM 731 C GLN A 48 -24.661 6.235 -0.657 1.00 0.00 C ATOM 732 O GLN A 48 -25.462 7.029 -1.150 1.00 0.00 O ATOM 733 CB GLN A 48 -24.698 6.374 1.841 1.00 0.00 C ATOM 734 CG GLN A 48 -25.931 7.046 2.423 1.00 0.00 C ATOM 735 CD GLN A 48 -25.590 8.240 3.291 1.00 0.00 C ATOM 736 OE1 GLN A 48 -26.185 9.310 3.156 1.00 0.00 O ATOM 737 NE2 GLN A 48 -24.628 8.065 4.189 1.00 0.00 N ATOM 0 H GLN A 48 -23.332 4.329 1.161 1.00 0.00 H new ATOM 0 HA GLN A 48 -26.059 5.244 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.225 5.770 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.979 7.141 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.583 7.367 1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -26.491 6.321 3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.161 7.161 4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.356 8.834 4.801 1.00 0.00 H new ATOM 746 N GLN A 49 -23.474 5.975 -1.194 1.00 0.00 N ATOM 747 CA GLN A 49 -23.033 6.624 -2.422 1.00 0.00 C ATOM 748 C GLN A 49 -23.364 5.767 -3.640 1.00 0.00 C ATOM 749 O GLN A 49 -23.244 4.542 -3.600 1.00 0.00 O ATOM 750 CB GLN A 49 -21.529 6.897 -2.369 1.00 0.00 C ATOM 751 CG GLN A 49 -21.057 7.909 -3.400 1.00 0.00 C ATOM 752 CD GLN A 49 -19.573 7.798 -3.691 1.00 0.00 C ATOM 753 OE1 GLN A 49 -19.151 7.827 -4.847 1.00 0.00 O ATOM 754 NE2 GLN A 49 -18.772 7.669 -2.640 1.00 0.00 N ATOM 0 H GLN A 49 -22.800 5.319 -0.798 1.00 0.00 H new ATOM 0 HA GLN A 49 -23.564 7.572 -2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -21.268 7.257 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.993 5.960 -2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -21.616 7.767 -4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -21.279 8.915 -3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.165 7.650 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.764 7.589 -2.774 1.00 0.00 H new ATOM 763 N ARG A 50 -23.780 6.418 -4.721 1.00 0.00 N ATOM 764 CA ARG A 50 -24.130 5.715 -5.949 1.00 0.00 C ATOM 765 C ARG A 50 -23.927 6.613 -7.166 1.00 0.00 C ATOM 766 O ARG A 50 -24.360 7.766 -7.179 1.00 0.00 O ATOM 767 CB ARG A 50 -25.582 5.236 -5.892 1.00 0.00 C ATOM 768 CG ARG A 50 -25.740 3.840 -5.311 1.00 0.00 C ATOM 769 CD ARG A 50 -25.054 2.795 -6.177 1.00 0.00 C ATOM 770 NE ARG A 50 -25.431 1.437 -5.796 1.00 0.00 N ATOM 771 CZ ARG A 50 -26.559 0.852 -6.181 1.00 0.00 C ATOM 772 NH1 ARG A 50 -27.417 1.503 -6.954 1.00 0.00 N ATOM 773 NH2 ARG A 50 -26.831 -0.388 -5.794 1.00 0.00 N ATOM 0 H ARG A 50 -23.883 7.432 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.473 4.850 -6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.164 5.937 -5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.001 5.251 -6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.320 3.814 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.799 3.600 -5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -25.313 2.964 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -23.973 2.908 -6.094 1.00 0.00 H new ATOM 0 HE ARG A 50 -24.793 0.909 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -27.211 2.456 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -28.283 1.051 -7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -26.173 -0.893 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -27.698 -0.836 -6.090 1.00 0.00 H new ATOM 787 N LEU A 51 -23.265 6.078 -8.186 1.00 0.00 N ATOM 788 CA LEU A 51 -23.004 6.830 -9.408 1.00 0.00 C ATOM 789 C LEU A 51 -24.075 6.552 -10.458 1.00 0.00 C ATOM 790 O LEU A 51 -24.459 5.403 -10.676 1.00 0.00 O ATOM 791 CB LEU A 51 -21.624 6.476 -9.963 1.00 0.00 C ATOM 792 CG LEU A 51 -20.433 7.160 -9.290 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.568 8.672 -9.376 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.312 6.714 -7.840 1.00 0.00 C ATOM 0 H LEU A 51 -22.899 5.126 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.029 7.892 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.489 5.397 -9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.607 6.724 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.524 6.867 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.712 9.142 -8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.605 8.975 -10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.484 8.985 -8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.459 7.210 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.222 6.977 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.168 5.634 -7.802 1.00 0.00 H new ATOM 806 N ILE A 52 -24.549 7.610 -11.107 1.00 0.00 N ATOM 807 CA ILE A 52 -25.573 7.478 -12.136 1.00 0.00 C ATOM 808 C ILE A 52 -25.050 7.939 -13.493 1.00 0.00 C ATOM 809 O ILE A 52 -24.305 8.915 -13.584 1.00 0.00 O ATOM 810 CB ILE A 52 -26.835 8.287 -11.783 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.234 8.040 -10.327 1.00 0.00 C ATOM 812 CG2 ILE A 52 -27.977 7.924 -12.720 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.513 6.587 -10.015 1.00 0.00 C ATOM 0 H ILE A 52 -24.241 8.568 -10.939 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.833 6.421 -12.189 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.615 9.348 -11.905 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.437 8.397 -9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.122 8.629 -10.097 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.862 8.504 -12.457 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.689 8.146 -13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.200 6.861 -12.627 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.790 6.487 -8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.331 6.231 -10.642 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.620 5.994 -10.213 1.00 0.00 H new ATOM 825 N PHE A 53 -25.448 7.232 -14.545 1.00 0.00 N ATOM 826 CA PHE A 53 -25.021 7.569 -15.898 1.00 0.00 C ATOM 827 C PHE A 53 -26.156 7.357 -16.896 1.00 0.00 C ATOM 828 O PHE A 53 -26.576 6.228 -17.144 1.00 0.00 O ATOM 829 CB PHE A 53 -23.810 6.723 -16.299 1.00 0.00 C ATOM 830 CG PHE A 53 -23.217 7.114 -17.622 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.323 8.169 -17.711 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.553 6.427 -18.778 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.776 8.531 -18.927 1.00 0.00 C ATOM 834 CE2 PHE A 53 -23.009 6.785 -19.997 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.119 7.838 -20.071 1.00 0.00 C ATOM 0 H PHE A 53 -26.065 6.422 -14.487 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.741 8.622 -15.912 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.045 6.809 -15.527 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.106 5.675 -16.338 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.051 8.715 -16.820 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.248 5.602 -18.726 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.081 9.355 -18.983 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.280 6.242 -20.890 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.692 8.119 -21.022 1.00 0.00 H new ATOM 845 N ALA A 54 -26.648 8.453 -17.464 1.00 0.00 N ATOM 846 CA ALA A 54 -27.733 8.389 -18.435 1.00 0.00 C ATOM 847 C ALA A 54 -28.948 7.674 -17.854 1.00 0.00 C ATOM 848 O ALA A 54 -29.687 7.002 -18.572 1.00 0.00 O ATOM 849 CB ALA A 54 -27.265 7.693 -19.704 1.00 0.00 C ATOM 0 H ALA A 54 -26.312 9.396 -17.268 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.028 9.409 -18.681 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.086 7.652 -20.420 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.432 8.247 -20.137 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.941 6.680 -19.465 1.00 0.00 H new ATOM 855 N GLY A 55 -29.148 7.822 -16.548 1.00 0.00 N ATOM 856 CA GLY A 55 -30.274 7.183 -15.893 1.00 0.00 C ATOM 857 C GLY A 55 -29.951 5.780 -15.420 1.00 0.00 C ATOM 858 O GLY A 55 -30.717 5.177 -14.668 1.00 0.00 O ATOM 0 H GLY A 55 -28.550 8.373 -15.932 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.585 7.787 -15.041 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.118 7.145 -16.582 1.00 0.00 H new ATOM 862 N LYS A 56 -28.813 5.256 -15.863 1.00 0.00 N ATOM 863 CA LYS A 56 -28.388 3.914 -15.482 1.00 0.00 C ATOM 864 C LYS A 56 -27.362 3.968 -14.355 1.00 0.00 C ATOM 865 O LYS A 56 -26.333 4.633 -14.472 1.00 0.00 O ATOM 866 CB LYS A 56 -27.798 3.181 -16.689 1.00 0.00 C ATOM 867 CG LYS A 56 -27.348 1.764 -16.380 1.00 0.00 C ATOM 868 CD LYS A 56 -28.522 0.801 -16.344 1.00 0.00 C ATOM 869 CE LYS A 56 -28.871 0.294 -17.735 1.00 0.00 C ATOM 870 NZ LYS A 56 -28.031 -0.872 -18.126 1.00 0.00 N ATOM 0 H LYS A 56 -28.168 5.741 -16.487 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.263 3.370 -15.127 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.542 3.151 -17.485 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -26.948 3.749 -17.068 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.631 1.437 -17.133 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -26.832 1.746 -15.420 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -28.282 -0.043 -15.698 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -29.389 1.299 -15.909 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -29.923 0.010 -17.765 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -28.737 1.098 -18.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -28.299 -1.189 -19.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -27.029 -0.595 -18.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -28.178 -1.648 -17.450 1.00 0.00 H new ATOM 884 N GLN A 57 -27.649 3.263 -13.265 1.00 0.00 N ATOM 885 CA GLN A 57 -26.749 3.231 -12.118 1.00 0.00 C ATOM 886 C GLN A 57 -25.442 2.529 -12.471 1.00 0.00 C ATOM 887 O GLN A 57 -25.402 1.680 -13.363 1.00 0.00 O ATOM 888 CB GLN A 57 -27.419 2.524 -10.938 1.00 0.00 C ATOM 889 CG GLN A 57 -28.767 3.117 -10.560 1.00 0.00 C ATOM 890 CD GLN A 57 -29.924 2.425 -11.254 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.419 2.895 -12.278 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.360 1.300 -10.698 1.00 0.00 N ATOM 0 H GLN A 57 -28.497 2.707 -13.152 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.523 4.259 -11.836 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.551 1.470 -11.184 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -26.756 2.569 -10.074 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.901 3.046 -9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -28.777 4.177 -10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.919 0.947 -9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.135 0.789 -11.121 1.00 0.00 H new ATOM 901 N LEU A 58 -24.375 2.888 -11.767 1.00 0.00 N ATOM 902 CA LEU A 58 -23.064 2.293 -12.006 1.00 0.00 C ATOM 903 C LEU A 58 -22.613 1.470 -10.803 1.00 0.00 C ATOM 904 O LEU A 58 -22.971 1.770 -9.665 1.00 0.00 O ATOM 905 CB LEU A 58 -22.034 3.383 -12.308 1.00 0.00 C ATOM 906 CG LEU A 58 -22.497 4.505 -13.238 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.438 5.592 -13.332 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.821 3.952 -14.619 1.00 0.00 C ATOM 0 H LEU A 58 -24.391 3.588 -11.026 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.145 1.630 -12.867 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.718 3.828 -11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.155 2.912 -12.749 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.403 4.945 -12.822 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.785 6.382 -13.998 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.254 6.008 -12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.514 5.167 -13.724 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.149 4.764 -15.268 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.931 3.486 -15.042 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.615 3.210 -14.537 1.00 0.00 H new ATOM 920 N GLU A 59 -21.823 0.433 -11.065 1.00 0.00 N ATOM 921 CA GLU A 59 -21.322 -0.432 -10.004 1.00 0.00 C ATOM 922 C GLU A 59 -19.899 -0.895 -10.305 1.00 0.00 C ATOM 923 O GLU A 59 -19.467 -0.897 -11.458 1.00 0.00 O ATOM 924 CB GLU A 59 -22.238 -1.644 -9.828 1.00 0.00 C ATOM 925 CG GLU A 59 -22.532 -2.378 -11.126 1.00 0.00 C ATOM 926 CD GLU A 59 -23.232 -3.704 -10.900 1.00 0.00 C ATOM 927 OE1 GLU A 59 -23.680 -3.954 -9.761 1.00 0.00 O ATOM 928 OE2 GLU A 59 -23.332 -4.493 -11.864 1.00 0.00 O ATOM 0 H GLU A 59 -21.517 0.172 -12.002 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.310 0.143 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.778 -2.338 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.178 -1.317 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.152 -1.748 -11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.598 -2.551 -11.661 1.00 0.00 H new ATOM 935 N ASP A 60 -19.177 -1.286 -9.261 1.00 0.00 N ATOM 936 CA ASP A 60 -17.804 -1.752 -9.413 1.00 0.00 C ATOM 937 C ASP A 60 -17.715 -2.848 -10.470 1.00 0.00 C ATOM 938 O ASP A 60 -18.733 -3.362 -10.932 1.00 0.00 O ATOM 939 CB ASP A 60 -17.268 -2.269 -8.077 1.00 0.00 C ATOM 940 CG ASP A 60 -17.774 -3.661 -7.751 1.00 0.00 C ATOM 941 OD1 ASP A 60 -18.977 -3.798 -7.447 1.00 0.00 O ATOM 942 OD2 ASP A 60 -16.966 -4.612 -7.800 1.00 0.00 O ATOM 0 H ASP A 60 -19.520 -1.290 -8.300 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.194 -0.909 -9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.178 -2.279 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.560 -1.584 -7.282 1.00 0.00 H new ATOM 947 N GLY A 61 -16.491 -3.200 -10.850 1.00 0.00 N ATOM 948 CA GLY A 61 -16.292 -4.232 -11.851 1.00 0.00 C ATOM 949 C GLY A 61 -16.161 -3.664 -13.250 1.00 0.00 C ATOM 950 O GLY A 61 -15.647 -4.328 -14.151 1.00 0.00 O ATOM 0 H GLY A 61 -15.633 -2.789 -10.482 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.395 -4.802 -11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.130 -4.929 -11.822 1.00 0.00 H new ATOM 954 N ARG A 62 -16.627 -2.434 -13.434 1.00 0.00 N ATOM 955 CA ARG A 62 -16.562 -1.778 -14.735 1.00 0.00 C ATOM 956 C ARG A 62 -15.774 -0.475 -14.648 1.00 0.00 C ATOM 957 O ARG A 62 -15.772 0.195 -13.615 1.00 0.00 O ATOM 958 CB ARG A 62 -17.971 -1.501 -15.261 1.00 0.00 C ATOM 959 CG ARG A 62 -18.697 -2.745 -15.745 1.00 0.00 C ATOM 960 CD ARG A 62 -18.020 -3.346 -16.967 1.00 0.00 C ATOM 961 NE ARG A 62 -18.939 -4.158 -17.759 1.00 0.00 N ATOM 962 CZ ARG A 62 -18.546 -4.999 -18.709 1.00 0.00 C ATOM 963 NH1 ARG A 62 -17.256 -5.137 -18.984 1.00 0.00 N ATOM 964 NH2 ARG A 62 -19.443 -5.703 -19.387 1.00 0.00 N ATOM 0 H ARG A 62 -17.054 -1.871 -12.699 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.049 -2.447 -15.426 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.558 -1.032 -14.472 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.909 -0.785 -16.081 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.728 -3.484 -14.944 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -19.730 -2.494 -15.987 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.616 -2.546 -17.588 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.177 -3.959 -16.649 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.938 -4.075 -17.572 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.563 -4.597 -18.466 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.956 -5.783 -19.714 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.436 -5.599 -19.179 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.140 -6.348 -20.116 1.00 0.00 H new ATOM 978 N THR A 63 -15.103 -0.121 -15.740 1.00 0.00 N ATOM 979 CA THR A 63 -14.310 1.101 -15.787 1.00 0.00 C ATOM 980 C THR A 63 -15.083 2.233 -16.455 1.00 0.00 C ATOM 981 O THR A 63 -16.074 1.998 -17.147 1.00 0.00 O ATOM 982 CB THR A 63 -12.986 0.882 -16.544 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.281 2.123 -16.667 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.243 0.300 -17.926 1.00 0.00 C ATOM 0 H THR A 63 -15.093 -0.664 -16.604 1.00 0.00 H new ATOM 0 HA THR A 63 -14.090 1.375 -14.755 1.00 0.00 H new ATOM 0 HB THR A 63 -12.381 0.175 -15.976 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.288 2.412 -17.603 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.294 0.154 -18.442 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.754 -0.658 -17.828 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.866 0.986 -18.500 1.00 0.00 H new ATOM 992 N LEU A 64 -14.624 3.461 -16.243 1.00 0.00 N ATOM 993 CA LEU A 64 -15.272 4.631 -16.825 1.00 0.00 C ATOM 994 C LEU A 64 -15.446 4.464 -18.331 1.00 0.00 C ATOM 995 O LEU A 64 -16.511 4.751 -18.878 1.00 0.00 O ATOM 996 CB LEU A 64 -14.455 5.891 -16.531 1.00 0.00 C ATOM 997 CG LEU A 64 -14.422 6.344 -15.071 1.00 0.00 C ATOM 998 CD1 LEU A 64 -13.960 7.790 -14.972 1.00 0.00 C ATOM 999 CD2 LEU A 64 -15.790 6.173 -14.429 1.00 0.00 C ATOM 0 H LEU A 64 -13.805 3.673 -15.672 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.259 4.732 -16.373 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.430 5.720 -16.861 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.853 6.707 -17.135 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.710 5.719 -14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.943 8.096 -13.926 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.959 7.882 -15.394 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.647 8.430 -15.526 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.748 6.500 -13.390 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.523 6.773 -14.969 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.081 5.123 -14.467 1.00 0.00 H new ATOM 1011 N SER A 65 -14.394 3.996 -18.995 1.00 0.00 N ATOM 1012 CA SER A 65 -14.430 3.792 -20.439 1.00 0.00 C ATOM 1013 C SER A 65 -15.506 2.779 -20.817 1.00 0.00 C ATOM 1014 O SER A 65 -16.101 2.862 -21.891 1.00 0.00 O ATOM 1015 CB SER A 65 -13.066 3.317 -20.942 1.00 0.00 C ATOM 1016 OG SER A 65 -13.118 2.982 -22.318 1.00 0.00 O ATOM 0 H SER A 65 -13.506 3.751 -18.556 1.00 0.00 H new ATOM 0 HA SER A 65 -14.671 4.745 -20.911 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.324 4.099 -20.783 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.744 2.450 -20.365 1.00 0.00 H new ATOM 0 HG SER A 65 -12.233 2.683 -22.616 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.748 1.822 -19.927 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.752 0.792 -20.168 1.00 0.00 C ATOM 1024 C GLU A 66 -18.160 1.353 -19.996 1.00 0.00 C ATOM 1025 O GLU A 66 -19.130 0.790 -20.504 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.541 -0.388 -19.217 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.475 -1.365 -19.685 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.969 -2.285 -20.784 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -17.190 -2.291 -21.048 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -15.135 -2.998 -21.381 1.00 0.00 O ATOM 0 H GLU A 66 -15.263 1.738 -19.033 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.641 0.446 -21.196 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.265 -0.006 -18.234 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.484 -0.922 -19.099 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.610 -0.808 -20.044 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.140 -1.964 -18.838 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.264 2.464 -19.276 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.553 3.101 -19.034 1.00 0.00 C ATOM 1039 C TYR A 67 -19.760 4.287 -19.971 1.00 0.00 C ATOM 1040 O TYR A 67 -20.665 5.097 -19.775 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.652 3.563 -17.579 1.00 0.00 C ATOM 1042 CG TYR A 67 -20.194 2.505 -16.643 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.418 1.896 -16.887 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.481 2.116 -15.516 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.917 0.930 -16.034 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.971 1.150 -14.659 1.00 0.00 C ATOM 1047 CZ TYR A 67 -21.190 0.560 -14.922 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.682 -0.402 -14.070 1.00 0.00 O ATOM 0 H TYR A 67 -17.471 2.943 -18.849 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.334 2.367 -19.229 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.664 3.868 -17.235 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.293 4.443 -17.529 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.989 2.182 -17.758 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.527 2.577 -15.306 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.871 0.467 -16.237 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.403 0.858 -13.788 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.936 -0.885 -13.656 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.913 4.381 -20.991 1.00 0.00 N ATOM 1059 CA ASN A 68 -19.002 5.467 -21.960 1.00 0.00 C ATOM 1060 C ASN A 68 -18.863 6.822 -21.273 1.00 0.00 C ATOM 1061 O ASN A 68 -19.481 7.804 -21.684 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.332 5.399 -22.714 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.279 6.120 -24.047 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -19.688 5.628 -25.008 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -20.899 7.293 -24.110 1.00 0.00 N ATOM 0 H ASN A 68 -18.158 3.719 -21.168 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.183 5.354 -22.671 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.600 4.355 -22.879 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -21.118 5.836 -22.099 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.898 7.824 -24.981 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.376 7.662 -23.288 1.00 0.00 H new ATOM 1072 N ILE A 69 -18.047 6.866 -20.225 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.826 8.101 -19.482 1.00 0.00 C ATOM 1074 C ILE A 69 -16.538 8.786 -19.926 1.00 0.00 C ATOM 1075 O ILE A 69 -15.449 8.228 -19.793 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.759 7.841 -17.965 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -19.072 7.228 -17.473 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.458 9.132 -17.219 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.915 6.381 -16.230 1.00 0.00 C ATOM 0 H ILE A 69 -17.529 6.062 -19.872 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.674 8.753 -19.694 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.953 7.134 -17.767 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.784 8.028 -17.270 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.498 6.616 -18.268 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.414 8.932 -16.148 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.500 9.531 -17.553 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.244 9.860 -17.420 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.885 5.979 -15.939 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.228 5.559 -16.434 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.518 6.993 -15.420 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.671 9.999 -20.452 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.517 10.761 -20.914 1.00 0.00 C ATOM 1093 C GLN A 70 -15.090 11.790 -19.871 1.00 0.00 C ATOM 1094 O GLN A 70 -15.567 11.774 -18.736 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.837 11.461 -22.236 1.00 0.00 C ATOM 1096 CG GLN A 70 -16.467 10.544 -23.272 1.00 0.00 C ATOM 1097 CD GLN A 70 -16.860 11.277 -24.539 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -16.426 12.405 -24.777 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -17.686 10.640 -25.360 1.00 0.00 N ATOM 0 H GLN A 70 -17.566 10.475 -20.569 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.693 10.065 -21.070 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.512 12.295 -22.042 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.919 11.883 -22.646 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.766 9.747 -23.521 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.350 10.070 -22.843 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.021 9.706 -25.123 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.986 11.084 -26.228 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.190 12.685 -20.264 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.699 13.722 -19.365 1.00 0.00 C ATOM 1110 C LYS A 71 -14.724 14.842 -19.215 1.00 0.00 C ATOM 1111 O LYS A 71 -14.646 15.646 -18.287 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.377 14.292 -19.884 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.540 15.215 -21.080 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.322 15.172 -21.987 1.00 0.00 C ATOM 1115 CE LYS A 71 -10.223 16.096 -21.488 1.00 0.00 C ATOM 1116 NZ LYS A 71 -8.990 15.989 -22.317 1.00 0.00 N ATOM 0 H LYS A 71 -13.786 12.713 -21.200 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.534 13.271 -18.386 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.885 14.838 -19.079 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.719 13.468 -20.159 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.426 14.927 -21.645 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.701 16.236 -20.734 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.944 14.151 -22.042 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.610 15.460 -22.998 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.581 17.126 -21.500 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.987 15.853 -20.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.264 16.634 -21.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.634 15.012 -22.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.210 16.246 -23.301 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.684 14.886 -20.134 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.724 15.908 -20.103 1.00 0.00 C ATOM 1132 C GLU A 72 -18.075 15.297 -19.743 1.00 0.00 C ATOM 1133 O GLU A 72 -19.088 15.995 -19.682 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.816 16.615 -21.456 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.477 17.111 -21.976 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.625 18.163 -23.058 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.785 17.783 -24.237 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -15.580 19.366 -22.726 1.00 0.00 O ATOM 0 H GLU A 72 -15.763 14.227 -20.908 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.459 16.638 -19.338 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.248 15.930 -22.186 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.498 17.461 -21.369 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.901 17.525 -21.148 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.909 16.268 -22.369 1.00 0.00 H new ATOM 1145 N SER A 73 -18.083 13.989 -19.506 1.00 0.00 N ATOM 1146 CA SER A 73 -19.310 13.282 -19.157 1.00 0.00 C ATOM 1147 C SER A 73 -19.935 13.870 -17.895 1.00 0.00 C ATOM 1148 O SER A 73 -19.235 14.389 -17.024 1.00 0.00 O ATOM 1149 CB SER A 73 -19.025 11.793 -18.953 1.00 0.00 C ATOM 1150 OG SER A 73 -19.237 11.065 -20.149 1.00 0.00 O ATOM 0 H SER A 73 -17.253 13.397 -19.549 1.00 0.00 H new ATOM 0 HA SER A 73 -20.015 13.400 -19.980 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.996 11.659 -18.619 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.669 11.401 -18.166 1.00 0.00 H new ATOM 0 HG SER A 73 -20.167 10.759 -20.185 1.00 0.00 H new ATOM 1156 N THR A 74 -21.258 13.785 -17.803 1.00 0.00 N ATOM 1157 CA THR A 74 -21.979 14.309 -16.650 1.00 0.00 C ATOM 1158 C THR A 74 -22.412 13.185 -15.715 1.00 0.00 C ATOM 1159 O THR A 74 -23.219 12.331 -16.086 1.00 0.00 O ATOM 1160 CB THR A 74 -23.222 15.110 -17.080 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.025 15.654 -18.390 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.508 16.235 -16.097 1.00 0.00 C ATOM 0 H THR A 74 -21.852 13.358 -18.514 1.00 0.00 H new ATOM 0 HA THR A 74 -21.293 14.973 -16.124 1.00 0.00 H new ATOM 0 HB THR A 74 -24.076 14.433 -17.092 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.820 16.160 -18.657 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.390 16.787 -16.422 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.686 15.816 -15.107 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.653 16.910 -16.057 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.872 13.190 -14.502 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.203 12.170 -13.512 1.00 0.00 C ATOM 1172 C LEU A 75 -23.176 12.716 -12.472 1.00 0.00 C ATOM 1173 O LEU A 75 -23.224 13.921 -12.224 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.933 11.667 -12.825 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.341 10.369 -13.376 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.234 9.187 -13.034 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.140 10.472 -14.881 1.00 0.00 C ATOM 0 H LEU A 75 -21.203 13.889 -14.179 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.682 11.339 -14.029 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.174 12.447 -12.893 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.149 11.524 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.369 10.209 -12.910 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.796 8.273 -13.434 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.326 9.102 -11.951 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.221 9.338 -13.471 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.718 9.540 -15.256 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.099 10.657 -15.364 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.458 11.294 -15.102 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.949 11.821 -11.865 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.919 12.213 -10.849 1.00 0.00 C ATOM 1191 C HIS A 76 -24.810 11.317 -9.619 1.00 0.00 C ATOM 1192 O HIS A 76 -24.896 10.092 -9.720 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.338 12.149 -11.416 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.739 13.382 -12.166 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -26.821 13.433 -13.542 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.083 14.615 -11.725 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.197 14.643 -13.914 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.363 15.380 -12.830 1.00 0.00 N ATOM 0 H HIS A 76 -23.922 10.820 -12.059 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.701 13.238 -10.551 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.417 11.288 -12.080 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -27.040 11.986 -10.598 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -27.129 14.937 -10.695 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.344 14.974 -14.931 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.652 16.358 -12.816 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.619 11.934 -8.458 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.497 11.192 -7.208 1.00 0.00 C ATOM 1208 C LEU A 77 -25.784 11.281 -6.394 1.00 0.00 C ATOM 1209 O LEU A 77 -26.203 12.367 -5.993 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.323 11.728 -6.387 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.425 13.187 -5.942 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -23.804 13.272 -4.472 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.115 13.917 -6.200 1.00 0.00 C ATOM 0 H LEU A 77 -24.545 12.946 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.315 10.145 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.212 11.105 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.412 11.611 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.208 13.670 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -23.872 14.318 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -24.768 12.787 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -23.045 12.772 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.207 14.954 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.313 13.433 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.886 13.888 -7.265 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.406 10.131 -6.153 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.644 10.079 -5.384 1.00 0.00 C ATOM 1227 C VAL A 78 -27.432 9.373 -4.049 1.00 0.00 C ATOM 1228 O VAL A 78 -26.914 8.257 -4.000 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.758 9.355 -6.163 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.336 10.265 -7.237 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.231 8.065 -6.773 1.00 0.00 C ATOM 0 H VAL A 78 -26.073 9.224 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.948 11.110 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.557 9.100 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -30.122 9.737 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.753 11.158 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.548 10.553 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -29.032 7.567 -7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.413 8.293 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.870 7.409 -5.981 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.836 10.031 -2.968 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.691 9.467 -1.631 1.00 0.00 C ATOM 1243 C LEU A 79 -29.005 8.859 -1.151 1.00 0.00 C ATOM 1244 O LEU A 79 -30.076 9.428 -1.359 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.226 10.544 -0.649 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.715 10.759 -0.554 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.052 9.583 0.146 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.118 10.964 -1.939 1.00 0.00 C ATOM 0 H LEU A 79 -28.266 10.955 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.941 8.677 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -27.690 11.489 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.599 10.289 0.343 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.531 11.657 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -23.977 9.753 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.459 9.482 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.244 8.669 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.042 11.116 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.312 10.085 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.571 11.839 -2.405 1.00 0.00 H new