USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 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 30 THR OG1 : rot 180:sc= -0.922 USER MOD Set 1.2: A 33 ASN : amide:sc= -0.786 X(o=-1.7,f=-1.9) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.186 F(o=-0.97,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0149) USER MOD Single : A 15 THR OG1 : rot -79:sc= -0.86! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.00639 USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= 0.974 (180deg=-1.58!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.65) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.047) USER MOD Single : A 49 GLN : amide:sc= -0.105 K(o=-0.11,f=-2.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.955 X(o=-0.96,f=-0.83) USER MOD Single : A 63 THR OG1 : rot 62:sc= 0.503 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -169:sc= 0.81 USER MOD Single : A 68 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.1) USER MOD Single : A 70 GLN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -140:sc= 0.512 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 -4.628 9.995 -16.318 1.00 0.00 N ATOM 100 CA SER A 8 -5.605 10.758 -15.549 1.00 0.00 C ATOM 101 C SER A 8 -6.658 11.372 -16.467 1.00 0.00 C ATOM 102 O SER A 8 -6.412 11.590 -17.653 1.00 0.00 O ATOM 103 CB SER A 8 -4.908 11.858 -14.746 1.00 0.00 C ATOM 104 OG SER A 8 -4.800 11.500 -13.379 1.00 0.00 O ATOM 0 HA SER A 8 -6.102 10.075 -14.860 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.915 12.039 -15.157 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.466 12.790 -14.838 1.00 0.00 H new ATOM 0 HG SER A 8 -4.350 12.218 -12.887 1.00 0.00 H new ATOM 110 N MET A 9 -7.831 11.649 -15.909 1.00 0.00 N ATOM 111 CA MET A 9 -8.922 12.240 -16.676 1.00 0.00 C ATOM 112 C MET A 9 -9.896 12.973 -15.759 1.00 0.00 C ATOM 113 O MET A 9 -10.290 12.454 -14.715 1.00 0.00 O ATOM 114 CB MET A 9 -9.662 11.159 -17.466 1.00 0.00 C ATOM 115 CG MET A 9 -11.170 11.347 -17.488 1.00 0.00 C ATOM 116 SD MET A 9 -12.001 10.171 -18.573 1.00 0.00 S ATOM 117 CE MET A 9 -12.473 8.903 -17.399 1.00 0.00 C ATOM 0 H MET A 9 -8.051 11.474 -14.929 1.00 0.00 H new ATOM 0 HA MET A 9 -8.495 12.961 -17.373 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.290 11.151 -18.491 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.432 10.184 -17.036 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.560 11.240 -16.476 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.401 12.361 -17.813 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.999 8.103 -17.920 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.580 8.499 -16.921 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.127 9.334 -16.641 1.00 0.00 H new ATOM 127 N GLN A 10 -10.281 14.182 -16.157 1.00 0.00 N ATOM 128 CA GLN A 10 -11.208 14.985 -15.370 1.00 0.00 C ATOM 129 C GLN A 10 -12.639 14.809 -15.868 1.00 0.00 C ATOM 130 O GLN A 10 -12.872 14.610 -17.060 1.00 0.00 O ATOM 131 CB GLN A 10 -10.814 16.462 -15.429 1.00 0.00 C ATOM 132 CG GLN A 10 -10.933 17.069 -16.817 1.00 0.00 C ATOM 133 CD GLN A 10 -9.622 17.045 -17.579 1.00 0.00 C ATOM 134 OE1 GLN A 10 -9.527 16.164 -18.568 1.00 0.00 O flip ATOM 135 NE2 GLN A 10 -8.704 17.810 -17.282 1.00 0.00 N flip ATOM 0 H GLN A 10 -9.965 14.626 -17.019 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.157 14.643 -14.336 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.444 17.025 -14.740 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.786 16.569 -15.082 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.688 16.525 -17.384 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.280 18.099 -16.731 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.820 18.472 -16.514 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.828 17.782 -17.804 1.00 0.00 H new ATOM 144 N ILE A 11 -13.594 14.882 -14.947 1.00 0.00 N ATOM 145 CA ILE A 11 -15.002 14.732 -15.293 1.00 0.00 C ATOM 146 C ILE A 11 -15.866 15.727 -14.526 1.00 0.00 C ATOM 147 O ILE A 11 -15.394 16.398 -13.609 1.00 0.00 O ATOM 148 CB ILE A 11 -15.503 13.305 -15.003 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.433 13.011 -13.503 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.687 12.287 -15.786 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.866 11.607 -13.141 1.00 0.00 C ATOM 0 H ILE A 11 -13.418 15.044 -13.955 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.087 14.929 -16.362 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.543 13.230 -15.321 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.411 13.168 -13.158 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.062 13.725 -12.971 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.053 11.283 -15.570 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.783 12.487 -16.853 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.639 12.361 -15.496 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.791 11.470 -12.062 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.898 11.452 -13.455 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.222 10.886 -13.644 1.00 0.00 H new ATOM 163 N PHE A 12 -17.136 15.817 -14.908 1.00 0.00 N ATOM 164 CA PHE A 12 -18.067 16.730 -14.257 1.00 0.00 C ATOM 165 C PHE A 12 -19.129 15.959 -13.478 1.00 0.00 C ATOM 166 O PHE A 12 -19.786 15.068 -14.016 1.00 0.00 O ATOM 167 CB PHE A 12 -18.736 17.636 -15.293 1.00 0.00 C ATOM 168 CG PHE A 12 -17.769 18.514 -16.034 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.934 19.381 -15.347 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.695 18.473 -17.417 1.00 0.00 C ATOM 171 CE1 PHE A 12 -16.044 20.191 -16.027 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.806 19.281 -18.102 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.979 20.140 -17.406 1.00 0.00 C ATOM 0 H PHE A 12 -17.543 15.268 -15.665 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.503 17.346 -13.557 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -19.276 17.018 -16.010 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.474 18.263 -14.793 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.979 19.424 -14.269 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.339 17.802 -17.966 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.400 20.864 -15.480 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.759 19.240 -19.180 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.283 20.771 -17.939 1.00 0.00 H new ATOM 183 N VAL A 13 -19.292 16.309 -12.206 1.00 0.00 N ATOM 184 CA VAL A 13 -20.274 15.652 -11.351 1.00 0.00 C ATOM 185 C VAL A 13 -21.174 16.671 -10.664 1.00 0.00 C ATOM 186 O VAL A 13 -20.727 17.752 -10.279 1.00 0.00 O ATOM 187 CB VAL A 13 -19.591 14.781 -10.280 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.631 14.054 -9.441 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.632 13.794 -10.928 1.00 0.00 C ATOM 0 H VAL A 13 -18.756 17.044 -11.745 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.879 15.015 -11.996 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.016 15.431 -9.620 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.130 13.443 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.274 14.783 -8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.235 13.414 -10.084 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.158 13.187 -10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.182 13.147 -11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.867 14.339 -11.481 1.00 0.00 H new ATOM 199 N LYS A 14 -22.447 16.321 -10.511 1.00 0.00 N ATOM 200 CA LYS A 14 -23.412 17.204 -9.868 1.00 0.00 C ATOM 201 C LYS A 14 -23.803 16.673 -8.492 1.00 0.00 C ATOM 202 O LYS A 14 -24.310 15.558 -8.366 1.00 0.00 O ATOM 203 CB LYS A 14 -24.660 17.352 -10.741 1.00 0.00 C ATOM 204 CG LYS A 14 -24.553 18.464 -11.770 1.00 0.00 C ATOM 205 CD LYS A 14 -23.934 17.968 -13.066 1.00 0.00 C ATOM 206 CE LYS A 14 -23.935 19.050 -14.135 1.00 0.00 C ATOM 207 NZ LYS A 14 -25.271 19.194 -14.778 1.00 0.00 N ATOM 0 H LYS A 14 -22.834 15.431 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.945 18.181 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.848 16.409 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.521 17.543 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.544 18.871 -11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.951 19.278 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.911 17.640 -12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.486 17.100 -13.425 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.642 20.001 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.190 18.811 -14.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -25.202 19.855 -15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.593 18.267 -15.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.953 19.562 -14.084 1.00 0.00 H new ATOM 221 N THR A 15 -23.564 17.479 -7.462 1.00 0.00 N ATOM 222 CA THR A 15 -23.891 17.091 -6.096 1.00 0.00 C ATOM 223 C THR A 15 -25.385 17.235 -5.826 1.00 0.00 C ATOM 224 O THR A 15 -26.137 17.713 -6.676 1.00 0.00 O ATOM 225 CB THR A 15 -23.112 17.935 -5.070 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.469 19.315 -5.198 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.612 17.774 -5.265 1.00 0.00 C ATOM 0 H THR A 15 -23.145 18.405 -7.548 1.00 0.00 H new ATOM 0 HA THR A 15 -23.604 16.045 -5.988 1.00 0.00 H new ATOM 0 HB THR A 15 -23.373 17.584 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 15 -22.995 19.706 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.082 18.379 -4.529 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.339 16.727 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.338 18.101 -6.268 1.00 0.00 H new ATOM 235 N LEU A 16 -25.809 16.820 -4.637 1.00 0.00 N ATOM 236 CA LEU A 16 -27.214 16.904 -4.254 1.00 0.00 C ATOM 237 C LEU A 16 -27.625 18.352 -4.006 1.00 0.00 C ATOM 238 O LEU A 16 -28.770 18.735 -4.249 1.00 0.00 O ATOM 239 CB LEU A 16 -27.472 16.067 -3.001 1.00 0.00 C ATOM 240 CG LEU A 16 -26.698 16.477 -1.748 1.00 0.00 C ATOM 241 CD1 LEU A 16 -27.430 17.587 -1.008 1.00 0.00 C ATOM 242 CD2 LEU A 16 -26.484 15.278 -0.836 1.00 0.00 C ATOM 0 H LEU A 16 -25.200 16.422 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 16 -27.813 16.511 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -28.537 16.107 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.233 15.028 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.722 16.854 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -26.864 17.866 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.531 18.454 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.419 17.237 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.931 15.589 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.450 14.871 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.917 14.513 -1.367 1.00 0.00 H new ATOM 254 N THR A 17 -26.683 19.155 -3.522 1.00 0.00 N ATOM 255 CA THR A 17 -26.946 20.561 -3.242 1.00 0.00 C ATOM 256 C THR A 17 -27.125 21.354 -4.531 1.00 0.00 C ATOM 257 O THR A 17 -27.740 22.420 -4.535 1.00 0.00 O ATOM 258 CB THR A 17 -25.808 21.192 -2.417 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.118 22.558 -2.120 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.489 21.119 -3.171 1.00 0.00 C ATOM 0 H THR A 17 -25.730 18.855 -3.316 1.00 0.00 H new ATOM 0 HA THR A 17 -27.869 20.601 -2.663 1.00 0.00 H new ATOM 0 HB THR A 17 -25.709 20.632 -1.487 1.00 0.00 H new ATOM 0 HG1 THR A 17 -25.391 22.952 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.700 21.571 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.241 20.076 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.579 21.658 -4.114 1.00 0.00 H new ATOM 268 N GLY A 18 -26.583 20.827 -5.625 1.00 0.00 N ATOM 269 CA GLY A 18 -26.694 21.500 -6.906 1.00 0.00 C ATOM 270 C GLY A 18 -25.395 22.154 -7.333 1.00 0.00 C ATOM 271 O GLY A 18 -25.391 23.057 -8.170 1.00 0.00 O ATOM 0 H GLY A 18 -26.069 19.946 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.002 20.781 -7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.476 22.257 -6.848 1.00 0.00 H new ATOM 275 N LYS A 19 -24.288 21.698 -6.756 1.00 0.00 N ATOM 276 CA LYS A 19 -22.975 22.244 -7.080 1.00 0.00 C ATOM 277 C LYS A 19 -22.179 21.270 -7.943 1.00 0.00 C ATOM 278 O LYS A 19 -22.234 20.056 -7.740 1.00 0.00 O ATOM 279 CB LYS A 19 -22.200 22.558 -5.799 1.00 0.00 C ATOM 280 CG LYS A 19 -20.737 22.889 -6.039 1.00 0.00 C ATOM 281 CD LYS A 19 -19.855 21.662 -5.882 1.00 0.00 C ATOM 282 CE LYS A 19 -19.312 21.543 -4.466 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.128 22.419 -4.250 1.00 0.00 N ATOM 0 H LYS A 19 -24.274 20.951 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.121 23.166 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.676 23.398 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.265 21.703 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.616 23.300 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.418 23.660 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.427 20.768 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.026 21.716 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.094 21.807 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.038 20.507 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.788 22.309 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.372 22.151 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.395 23.411 -4.414 1.00 0.00 H new ATOM 297 N THR A 20 -21.438 21.808 -8.906 1.00 0.00 N ATOM 298 CA THR A 20 -20.631 20.987 -9.799 1.00 0.00 C ATOM 299 C THR A 20 -19.194 20.882 -9.301 1.00 0.00 C ATOM 300 O THR A 20 -18.574 21.887 -8.950 1.00 0.00 O ATOM 301 CB THR A 20 -20.625 21.553 -11.232 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.831 22.286 -11.473 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.491 20.436 -12.255 1.00 0.00 C ATOM 0 H THR A 20 -21.380 22.810 -9.087 1.00 0.00 H new ATOM 0 HA THR A 20 -21.083 19.995 -9.810 1.00 0.00 H new ATOM 0 HB THR A 20 -19.768 22.220 -11.333 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.819 22.644 -12.385 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.489 20.860 -13.259 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.558 19.898 -12.087 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.330 19.747 -12.154 1.00 0.00 H new ATOM 311 N ILE A 21 -18.670 19.662 -9.272 1.00 0.00 N ATOM 312 CA ILE A 21 -17.305 19.427 -8.818 1.00 0.00 C ATOM 313 C ILE A 21 -16.545 18.539 -9.797 1.00 0.00 C ATOM 314 O ILE A 21 -17.057 17.514 -10.250 1.00 0.00 O ATOM 315 CB ILE A 21 -17.280 18.774 -7.423 1.00 0.00 C ATOM 316 CG1 ILE A 21 -15.847 18.402 -7.036 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.177 17.545 -7.398 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.487 16.968 -7.357 1.00 0.00 C ATOM 0 H ILE A 21 -19.170 18.820 -9.558 1.00 0.00 H new ATOM 0 HA ILE A 21 -16.819 20.401 -8.763 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.659 19.491 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.155 19.066 -7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.712 18.572 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.149 17.094 -6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.200 17.836 -7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.825 16.823 -8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.457 16.775 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.155 16.296 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.589 16.798 -8.429 1.00 0.00 H new ATOM 330 N THR A 22 -15.318 18.936 -10.119 1.00 0.00 N ATOM 331 CA THR A 22 -14.486 18.176 -11.043 1.00 0.00 C ATOM 332 C THR A 22 -13.740 17.061 -10.321 1.00 0.00 C ATOM 333 O THR A 22 -13.123 17.285 -9.278 1.00 0.00 O ATOM 334 CB THR A 22 -13.465 19.084 -11.756 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.025 20.386 -11.959 1.00 0.00 O ATOM 336 CG2 THR A 22 -13.055 18.489 -13.094 1.00 0.00 C ATOM 0 H THR A 22 -14.878 19.780 -9.753 1.00 0.00 H new ATOM 0 HA THR A 22 -15.155 17.740 -11.785 1.00 0.00 H new ATOM 0 HB THR A 22 -12.580 19.164 -11.125 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.369 20.957 -12.411 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.334 19.147 -13.579 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.603 17.510 -12.934 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.934 18.383 -13.730 1.00 0.00 H new ATOM 344 N LEU A 23 -13.798 15.857 -10.881 1.00 0.00 N ATOM 345 CA LEU A 23 -13.126 14.705 -10.290 1.00 0.00 C ATOM 346 C LEU A 23 -12.118 14.104 -11.265 1.00 0.00 C ATOM 347 O LEU A 23 -12.354 14.067 -12.472 1.00 0.00 O ATOM 348 CB LEU A 23 -14.152 13.646 -9.882 1.00 0.00 C ATOM 349 CG LEU A 23 -13.748 12.733 -8.724 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.515 13.545 -7.460 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.811 11.669 -8.488 1.00 0.00 C ATOM 0 H LEU A 23 -14.303 15.654 -11.743 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.589 15.043 -9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.080 14.152 -9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.368 13.024 -10.751 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.815 12.235 -8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.228 12.878 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.718 14.268 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.431 14.071 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.507 11.028 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.759 12.149 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.929 11.067 -9.389 1.00 0.00 H new ATOM 363 N GLU A 24 -10.996 13.633 -10.731 1.00 0.00 N ATOM 364 CA GLU A 24 -9.953 13.032 -11.554 1.00 0.00 C ATOM 365 C GLU A 24 -9.949 11.513 -11.405 1.00 0.00 C ATOM 366 O GLU A 24 -9.801 10.987 -10.302 1.00 0.00 O ATOM 367 CB GLU A 24 -8.582 13.596 -11.173 1.00 0.00 C ATOM 368 CG GLU A 24 -8.275 14.936 -11.819 1.00 0.00 C ATOM 369 CD GLU A 24 -8.761 16.109 -10.990 1.00 0.00 C ATOM 370 OE1 GLU A 24 -8.198 16.337 -9.898 1.00 0.00 O ATOM 371 OE2 GLU A 24 -9.703 16.799 -11.432 1.00 0.00 O ATOM 0 H GLU A 24 -10.786 13.656 -9.733 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.162 13.277 -12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.531 13.704 -10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.812 12.880 -11.458 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.199 15.024 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.740 14.975 -12.804 1.00 0.00 H new ATOM 378 N VAL A 25 -10.113 10.814 -12.524 1.00 0.00 N ATOM 379 CA VAL A 25 -10.129 9.356 -12.519 1.00 0.00 C ATOM 380 C VAL A 25 -9.425 8.795 -13.750 1.00 0.00 C ATOM 381 O VAL A 25 -9.488 9.378 -14.832 1.00 0.00 O ATOM 382 CB VAL A 25 -11.568 8.810 -12.470 1.00 0.00 C ATOM 383 CG1 VAL A 25 -11.617 7.501 -11.698 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.507 9.837 -11.855 1.00 0.00 C ATOM 0 H VAL A 25 -10.237 11.234 -13.445 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.597 9.037 -11.623 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.898 8.614 -13.490 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.642 7.131 -11.674 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.977 6.766 -12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.267 7.666 -10.679 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.520 9.434 -11.828 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.181 10.067 -10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.494 10.747 -12.455 1.00 0.00 H new ATOM 394 N GLU A 26 -8.756 7.660 -13.576 1.00 0.00 N ATOM 395 CA GLU A 26 -8.040 7.020 -14.674 1.00 0.00 C ATOM 396 C GLU A 26 -9.014 6.372 -15.654 1.00 0.00 C ATOM 397 O GLU A 26 -10.152 6.048 -15.314 1.00 0.00 O ATOM 398 CB GLU A 26 -7.068 5.969 -14.134 1.00 0.00 C ATOM 399 CG GLU A 26 -5.832 6.563 -13.480 1.00 0.00 C ATOM 400 CD GLU A 26 -6.167 7.451 -12.297 1.00 0.00 C ATOM 401 OE1 GLU A 26 -6.348 6.914 -11.184 1.00 0.00 O ATOM 402 OE2 GLU A 26 -6.248 8.683 -12.485 1.00 0.00 O ATOM 0 H GLU A 26 -8.695 7.165 -12.686 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.476 7.788 -15.203 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.588 5.344 -13.408 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.759 5.318 -14.952 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.177 5.757 -13.150 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.278 7.142 -14.219 1.00 0.00 H new ATOM 409 N PRO A 27 -8.558 6.179 -16.900 1.00 0.00 N ATOM 410 CA PRO A 27 -9.372 5.569 -17.955 1.00 0.00 C ATOM 411 C PRO A 27 -9.619 4.084 -17.711 1.00 0.00 C ATOM 412 O PRO A 27 -10.500 3.483 -18.325 1.00 0.00 O ATOM 413 CB PRO A 27 -8.527 5.770 -19.216 1.00 0.00 C ATOM 414 CG PRO A 27 -7.126 5.876 -18.720 1.00 0.00 C ATOM 415 CD PRO A 27 -7.212 6.542 -17.375 1.00 0.00 C ATOM 0 HA PRO A 27 -10.364 6.016 -18.014 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.640 4.934 -19.906 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.826 6.670 -19.754 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.665 4.892 -18.639 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.512 6.460 -19.406 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.437 6.183 -16.698 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.091 7.622 -17.453 1.00 0.00 H new ATOM 423 N SER A 28 -8.835 3.499 -16.811 1.00 0.00 N ATOM 424 CA SER A 28 -8.967 2.083 -16.488 1.00 0.00 C ATOM 425 C SER A 28 -9.549 1.896 -15.090 1.00 0.00 C ATOM 426 O SER A 28 -9.979 0.802 -14.726 1.00 0.00 O ATOM 427 CB SER A 28 -7.608 1.387 -16.585 1.00 0.00 C ATOM 428 OG SER A 28 -6.555 2.278 -16.260 1.00 0.00 O ATOM 0 H SER A 28 -8.102 3.983 -16.293 1.00 0.00 H new ATOM 0 HA SER A 28 -9.649 1.633 -17.209 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.585 0.531 -15.911 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.464 1.002 -17.594 1.00 0.00 H new ATOM 0 HG SER A 28 -5.697 1.809 -16.328 1.00 0.00 H new ATOM 434 N ASP A 29 -9.557 2.973 -14.312 1.00 0.00 N ATOM 435 CA ASP A 29 -10.086 2.930 -12.953 1.00 0.00 C ATOM 436 C ASP A 29 -11.540 2.469 -12.951 1.00 0.00 C ATOM 437 O ASP A 29 -12.333 2.873 -13.803 1.00 0.00 O ATOM 438 CB ASP A 29 -9.973 4.306 -12.295 1.00 0.00 C ATOM 439 CG ASP A 29 -8.751 4.423 -11.406 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.819 3.608 -11.568 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.726 5.330 -10.547 1.00 0.00 O ATOM 0 H ASP A 29 -9.204 3.886 -14.599 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.496 2.214 -12.382 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.931 5.073 -13.068 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.869 4.498 -11.704 1.00 0.00 H new ATOM 446 N THR A 30 -11.885 1.620 -11.988 1.00 0.00 N ATOM 447 CA THR A 30 -13.243 1.102 -11.875 1.00 0.00 C ATOM 448 C THR A 30 -14.131 2.055 -11.084 1.00 0.00 C ATOM 449 O THR A 30 -13.652 3.036 -10.514 1.00 0.00 O ATOM 450 CB THR A 30 -13.262 -0.281 -11.198 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.149 -0.406 -10.306 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.213 -1.392 -12.236 1.00 0.00 C ATOM 0 H THR A 30 -11.242 1.276 -11.275 1.00 0.00 H new ATOM 0 HA THR A 30 -13.630 1.007 -12.889 1.00 0.00 H new ATOM 0 HB THR A 30 -14.190 -0.372 -10.634 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.170 -1.288 -9.879 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.227 -2.360 -11.734 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.077 -1.312 -12.895 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.299 -1.301 -12.823 1.00 0.00 H new ATOM 460 N ILE A 31 -15.426 1.760 -11.051 1.00 0.00 N ATOM 461 CA ILE A 31 -16.380 2.591 -10.327 1.00 0.00 C ATOM 462 C ILE A 31 -15.935 2.810 -8.885 1.00 0.00 C ATOM 463 O ILE A 31 -16.253 3.831 -8.276 1.00 0.00 O ATOM 464 CB ILE A 31 -17.787 1.964 -10.328 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.285 1.778 -11.763 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.754 2.830 -9.535 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.326 3.063 -12.560 1.00 0.00 C ATOM 0 H ILE A 31 -15.839 0.952 -11.517 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.418 3.550 -10.843 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.732 0.985 -9.852 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.639 1.064 -12.273 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.284 1.343 -11.739 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.744 2.373 -9.545 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.405 2.917 -8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.807 3.821 -9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.688 2.855 -13.567 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.995 3.772 -12.073 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.324 3.489 -12.616 1.00 0.00 H new ATOM 479 N GLU A 32 -15.196 1.846 -8.347 1.00 0.00 N ATOM 480 CA GLU A 32 -14.706 1.935 -6.976 1.00 0.00 C ATOM 481 C GLU A 32 -13.750 3.113 -6.816 1.00 0.00 C ATOM 482 O GLU A 32 -13.693 3.740 -5.759 1.00 0.00 O ATOM 483 CB GLU A 32 -14.003 0.635 -6.577 1.00 0.00 C ATOM 484 CG GLU A 32 -12.963 0.172 -7.583 1.00 0.00 C ATOM 485 CD GLU A 32 -12.007 -0.853 -7.004 1.00 0.00 C ATOM 486 OE1 GLU A 32 -12.456 -1.979 -6.703 1.00 0.00 O ATOM 487 OE2 GLU A 32 -10.811 -0.529 -6.851 1.00 0.00 O ATOM 0 H GLU A 32 -14.923 0.995 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.562 2.093 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.523 0.774 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.750 -0.149 -6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.467 -0.255 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.396 1.033 -7.936 1.00 0.00 H new ATOM 494 N ASN A 33 -13.000 3.407 -7.873 1.00 0.00 N ATOM 495 CA ASN A 33 -12.044 4.509 -7.849 1.00 0.00 C ATOM 496 C ASN A 33 -12.757 5.850 -7.995 1.00 0.00 C ATOM 497 O ASN A 33 -12.415 6.823 -7.324 1.00 0.00 O ATOM 498 CB ASN A 33 -11.014 4.342 -8.968 1.00 0.00 C ATOM 499 CG ASN A 33 -9.814 3.524 -8.532 1.00 0.00 C ATOM 500 OD1 ASN A 33 -8.821 4.068 -8.047 1.00 0.00 O ATOM 501 ND2 ASN A 33 -9.899 2.210 -8.702 1.00 0.00 N ATOM 0 H ASN A 33 -13.035 2.898 -8.756 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.532 4.492 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.487 3.861 -9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.679 5.325 -9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.122 1.609 -8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.741 1.802 -9.108 1.00 0.00 H new ATOM 508 N VAL A 34 -13.751 5.893 -8.877 1.00 0.00 N ATOM 509 CA VAL A 34 -14.513 7.113 -9.111 1.00 0.00 C ATOM 510 C VAL A 34 -15.084 7.663 -7.808 1.00 0.00 C ATOM 511 O VAL A 34 -14.906 8.837 -7.485 1.00 0.00 O ATOM 512 CB VAL A 34 -15.667 6.873 -10.102 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.455 8.155 -10.326 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.133 6.329 -11.419 1.00 0.00 C ATOM 0 H VAL A 34 -14.047 5.096 -9.441 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.822 7.840 -9.538 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.341 6.131 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.266 7.965 -11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.869 8.498 -9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.795 8.922 -10.732 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.962 6.165 -12.108 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.437 7.046 -11.853 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.617 5.385 -11.241 1.00 0.00 H new ATOM 524 N LYS A 35 -15.771 6.805 -7.061 1.00 0.00 N ATOM 525 CA LYS A 35 -16.367 7.202 -5.791 1.00 0.00 C ATOM 526 C LYS A 35 -15.290 7.469 -4.745 1.00 0.00 C ATOM 527 O LYS A 35 -15.490 8.260 -3.823 1.00 0.00 O ATOM 528 CB LYS A 35 -17.321 6.115 -5.290 1.00 0.00 C ATOM 529 CG LYS A 35 -16.636 4.791 -4.999 1.00 0.00 C ATOM 530 CD LYS A 35 -16.172 4.709 -3.555 1.00 0.00 C ATOM 531 CE LYS A 35 -16.217 3.280 -3.035 1.00 0.00 C ATOM 532 NZ LYS A 35 -15.122 2.448 -3.607 1.00 0.00 N ATOM 0 H LYS A 35 -15.929 5.829 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.928 8.123 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.814 6.466 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.100 5.955 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.323 3.971 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.781 4.669 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.155 5.094 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.803 5.344 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.139 3.286 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.180 2.833 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.519 1.563 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.653 2.971 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.429 2.228 -2.864 1.00 0.00 H new ATOM 546 N ALA A 36 -14.148 6.806 -4.894 1.00 0.00 N ATOM 547 CA ALA A 36 -13.039 6.976 -3.964 1.00 0.00 C ATOM 548 C ALA A 36 -12.645 8.444 -3.841 1.00 0.00 C ATOM 549 O ALA A 36 -12.440 8.953 -2.739 1.00 0.00 O ATOM 550 CB ALA A 36 -11.846 6.142 -4.407 1.00 0.00 C ATOM 0 H ALA A 36 -13.967 6.146 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.365 6.631 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.025 6.279 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.128 5.090 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.529 6.459 -5.400 1.00 0.00 H new ATOM 556 N LYS A 37 -12.539 9.120 -4.980 1.00 0.00 N ATOM 557 CA LYS A 37 -12.170 10.531 -5.001 1.00 0.00 C ATOM 558 C LYS A 37 -13.272 11.391 -4.392 1.00 0.00 C ATOM 559 O LYS A 37 -13.003 12.450 -3.824 1.00 0.00 O ATOM 560 CB LYS A 37 -11.888 10.984 -6.436 1.00 0.00 C ATOM 561 CG LYS A 37 -10.796 10.183 -7.123 1.00 0.00 C ATOM 562 CD LYS A 37 -9.435 10.448 -6.501 1.00 0.00 C ATOM 563 CE LYS A 37 -8.377 9.503 -7.051 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.463 8.153 -6.428 1.00 0.00 N ATOM 0 H LYS A 37 -12.703 8.714 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.267 10.654 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.805 10.907 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.604 12.036 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.027 9.120 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.769 10.437 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.140 11.479 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.500 10.333 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.496 9.413 -8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.387 9.923 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.726 7.538 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.324 8.235 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.399 7.741 -6.619 1.00 0.00 H new ATOM 578 N ILE A 38 -14.512 10.929 -4.514 1.00 0.00 N ATOM 579 CA ILE A 38 -15.654 11.656 -3.973 1.00 0.00 C ATOM 580 C ILE A 38 -15.592 11.722 -2.451 1.00 0.00 C ATOM 581 O ILE A 38 -16.080 12.674 -1.842 1.00 0.00 O ATOM 582 CB ILE A 38 -16.985 11.006 -4.393 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.117 11.001 -5.917 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.157 11.739 -3.757 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.221 12.385 -6.519 1.00 0.00 C ATOM 0 H ILE A 38 -14.751 10.055 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.607 12.666 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.994 9.974 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.255 10.491 -6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.000 10.425 -6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.091 11.267 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.068 11.695 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.153 12.780 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.312 12.305 -7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.099 12.891 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.327 12.958 -6.271 1.00 0.00 H new ATOM 597 N GLN A 39 -14.987 10.707 -1.843 1.00 0.00 N ATOM 598 CA GLN A 39 -14.860 10.651 -0.392 1.00 0.00 C ATOM 599 C GLN A 39 -14.167 11.900 0.142 1.00 0.00 C ATOM 600 O GLN A 39 -14.407 12.318 1.275 1.00 0.00 O ATOM 601 CB GLN A 39 -14.080 9.403 0.025 1.00 0.00 C ATOM 602 CG GLN A 39 -14.780 8.101 -0.330 1.00 0.00 C ATOM 603 CD GLN A 39 -14.151 6.897 0.344 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.783 5.925 -0.315 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.025 6.957 1.664 1.00 0.00 N ATOM 0 H GLN A 39 -14.577 9.912 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.862 10.603 0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.100 9.421 -0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.911 9.433 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.829 8.167 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.754 7.962 -1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.344 7.783 2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.609 6.177 2.173 1.00 0.00 H new ATOM 614 N ASP A 40 -13.308 12.491 -0.680 1.00 0.00 N ATOM 615 CA ASP A 40 -12.580 13.693 -0.291 1.00 0.00 C ATOM 616 C ASP A 40 -13.479 14.923 -0.372 1.00 0.00 C ATOM 617 O ASP A 40 -13.213 15.943 0.263 1.00 0.00 O ATOM 618 CB ASP A 40 -11.352 13.884 -1.183 1.00 0.00 C ATOM 619 CG ASP A 40 -10.431 14.975 -0.675 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.008 14.898 0.498 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.132 15.907 -1.450 1.00 0.00 O ATOM 0 H ASP A 40 -13.098 12.157 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.253 13.571 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.800 12.946 -1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.676 14.128 -2.195 1.00 0.00 H new ATOM 626 N LYS A 41 -14.544 14.820 -1.160 1.00 0.00 N ATOM 627 CA LYS A 41 -15.483 15.922 -1.326 1.00 0.00 C ATOM 628 C LYS A 41 -16.643 15.802 -0.342 1.00 0.00 C ATOM 629 O LYS A 41 -17.000 16.769 0.330 1.00 0.00 O ATOM 630 CB LYS A 41 -16.018 15.953 -2.760 1.00 0.00 C ATOM 631 CG LYS A 41 -14.944 15.750 -3.814 1.00 0.00 C ATOM 632 CD LYS A 41 -13.970 16.916 -3.850 1.00 0.00 C ATOM 633 CE LYS A 41 -12.552 16.450 -4.141 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.584 17.581 -4.133 1.00 0.00 N ATOM 0 H LYS A 41 -14.778 13.983 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.952 16.852 -1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.777 15.179 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.510 16.910 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.401 14.827 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.410 15.634 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.283 17.629 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.993 17.440 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.253 15.711 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.524 15.955 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.629 17.222 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.854 18.275 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.591 18.038 -3.199 1.00 0.00 H new ATOM 648 N GLU A 42 -17.225 14.610 -0.264 1.00 0.00 N ATOM 649 CA GLU A 42 -18.344 14.365 0.639 1.00 0.00 C ATOM 650 C GLU A 42 -17.946 13.394 1.747 1.00 0.00 C ATOM 651 O GLU A 42 -18.383 13.526 2.889 1.00 0.00 O ATOM 652 CB GLU A 42 -19.541 13.809 -0.136 1.00 0.00 C ATOM 653 CG GLU A 42 -19.804 14.530 -1.447 1.00 0.00 C ATOM 654 CD GLU A 42 -19.818 16.038 -1.292 1.00 0.00 C ATOM 655 OE1 GLU A 42 -20.434 16.528 -0.323 1.00 0.00 O ATOM 656 OE2 GLU A 42 -19.214 16.728 -2.140 1.00 0.00 O ATOM 0 H GLU A 42 -16.941 13.799 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.625 15.314 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.372 12.752 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.431 13.875 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.039 14.250 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.761 14.201 -1.852 1.00 0.00 H new ATOM 663 N GLY A 43 -17.114 12.416 1.399 1.00 0.00 N ATOM 664 CA GLY A 43 -16.672 11.437 2.374 1.00 0.00 C ATOM 665 C GLY A 43 -17.801 10.548 2.856 1.00 0.00 C ATOM 666 O GLY A 43 -18.081 10.484 4.054 1.00 0.00 O ATOM 0 H GLY A 43 -16.739 12.285 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.889 10.819 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.230 11.952 3.227 1.00 0.00 H new ATOM 670 N ILE A 44 -18.452 9.861 1.923 1.00 0.00 N ATOM 671 CA ILE A 44 -19.557 8.973 2.260 1.00 0.00 C ATOM 672 C ILE A 44 -19.316 7.567 1.720 1.00 0.00 C ATOM 673 O ILE A 44 -18.633 7.370 0.715 1.00 0.00 O ATOM 674 CB ILE A 44 -20.893 9.502 1.706 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.726 9.951 0.254 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.406 10.648 2.566 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.994 10.508 -0.356 1.00 0.00 C ATOM 0 H ILE A 44 -18.233 9.903 0.928 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.613 8.937 3.348 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.626 8.696 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.945 10.710 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.387 9.104 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.351 11.011 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.559 10.297 3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.676 11.458 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.801 10.806 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.772 9.745 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.323 11.375 0.217 1.00 0.00 H new ATOM 689 N PRO A 45 -19.892 6.565 2.401 1.00 0.00 N ATOM 690 CA PRO A 45 -19.757 5.160 2.007 1.00 0.00 C ATOM 691 C PRO A 45 -20.507 4.845 0.717 1.00 0.00 C ATOM 692 O PRO A 45 -21.314 5.637 0.230 1.00 0.00 O ATOM 693 CB PRO A 45 -20.375 4.400 3.183 1.00 0.00 C ATOM 694 CG PRO A 45 -21.329 5.366 3.798 1.00 0.00 C ATOM 695 CD PRO A 45 -20.721 6.727 3.608 1.00 0.00 C ATOM 0 HA PRO A 45 -18.720 4.892 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.886 3.498 2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.613 4.087 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.307 5.306 3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.476 5.149 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.485 7.493 3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.123 7.024 4.470 1.00 0.00 H new ATOM 703 N PRO A 46 -20.235 3.661 0.147 1.00 0.00 N ATOM 704 CA PRO A 46 -20.875 3.214 -1.093 1.00 0.00 C ATOM 705 C PRO A 46 -22.353 2.893 -0.901 1.00 0.00 C ATOM 706 O PRO A 46 -23.124 2.871 -1.861 1.00 0.00 O ATOM 707 CB PRO A 46 -20.096 1.948 -1.458 1.00 0.00 C ATOM 708 CG PRO A 46 -19.560 1.447 -0.161 1.00 0.00 C ATOM 709 CD PRO A 46 -19.284 2.667 0.672 1.00 0.00 C ATOM 0 HA PRO A 46 -20.850 3.984 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.742 1.209 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -19.292 2.166 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -20.279 0.793 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.651 0.865 -0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.448 2.475 1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.252 3.002 0.564 1.00 0.00 H new ATOM 717 N ASP A 47 -22.743 2.647 0.345 1.00 0.00 N ATOM 718 CA ASP A 47 -24.130 2.328 0.664 1.00 0.00 C ATOM 719 C ASP A 47 -24.974 3.597 0.741 1.00 0.00 C ATOM 720 O ASP A 47 -26.192 3.553 0.569 1.00 0.00 O ATOM 721 CB ASP A 47 -24.209 1.566 1.987 1.00 0.00 C ATOM 722 CG ASP A 47 -25.601 1.034 2.266 1.00 0.00 C ATOM 723 OD1 ASP A 47 -25.927 -0.066 1.771 1.00 0.00 O ATOM 724 OD2 ASP A 47 -26.365 1.716 2.980 1.00 0.00 O ATOM 0 H ASP A 47 -22.118 2.662 1.151 1.00 0.00 H new ATOM 0 HA ASP A 47 -24.525 1.698 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.503 0.736 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.905 2.224 2.801 1.00 0.00 H new ATOM 729 N GLN A 48 -24.319 4.723 1.002 1.00 0.00 N ATOM 730 CA GLN A 48 -25.010 6.003 1.104 1.00 0.00 C ATOM 731 C GLN A 48 -24.722 6.875 -0.114 1.00 0.00 C ATOM 732 O GLN A 48 -25.130 8.035 -0.167 1.00 0.00 O ATOM 733 CB GLN A 48 -24.591 6.733 2.380 1.00 0.00 C ATOM 734 CG GLN A 48 -25.267 6.203 3.635 1.00 0.00 C ATOM 735 CD GLN A 48 -25.323 7.232 4.746 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.910 6.966 5.875 1.00 0.00 O ATOM 737 NE2 GLN A 48 -25.835 8.417 4.432 1.00 0.00 N ATOM 0 H GLN A 48 -23.311 4.775 1.147 1.00 0.00 H new ATOM 0 HA GLN A 48 -26.082 5.807 1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.510 6.651 2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.821 7.793 2.274 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.280 5.883 3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.731 5.322 3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.166 8.595 3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.898 9.149 5.139 1.00 0.00 H new ATOM 746 N GLN A 49 -24.017 6.310 -1.088 1.00 0.00 N ATOM 747 CA GLN A 49 -23.674 7.037 -2.304 1.00 0.00 C ATOM 748 C GLN A 49 -23.710 6.116 -3.518 1.00 0.00 C ATOM 749 O GLN A 49 -23.434 4.921 -3.411 1.00 0.00 O ATOM 750 CB GLN A 49 -22.289 7.671 -2.170 1.00 0.00 C ATOM 751 CG GLN A 49 -21.148 6.705 -2.446 1.00 0.00 C ATOM 752 CD GLN A 49 -20.522 6.916 -3.811 1.00 0.00 C ATOM 753 OE1 GLN A 49 -20.592 6.046 -4.680 1.00 0.00 O ATOM 754 NE2 GLN A 49 -19.906 8.075 -4.007 1.00 0.00 N ATOM 0 H GLN A 49 -23.672 5.351 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 49 -24.414 7.824 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -22.216 8.513 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -22.178 8.073 -1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.384 6.823 -1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -21.518 5.682 -2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.872 8.767 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.466 8.273 -4.906 1.00 0.00 H new ATOM 763 N ARG A 50 -24.052 6.679 -4.673 1.00 0.00 N ATOM 764 CA ARG A 50 -24.126 5.907 -5.907 1.00 0.00 C ATOM 765 C ARG A 50 -23.959 6.812 -7.125 1.00 0.00 C ATOM 766 O ARG A 50 -24.519 7.907 -7.179 1.00 0.00 O ATOM 767 CB ARG A 50 -25.460 5.163 -5.990 1.00 0.00 C ATOM 768 CG ARG A 50 -25.376 3.711 -5.547 1.00 0.00 C ATOM 769 CD ARG A 50 -24.446 2.908 -6.443 1.00 0.00 C ATOM 770 NE ARG A 50 -24.549 1.473 -6.193 1.00 0.00 N ATOM 771 CZ ARG A 50 -25.523 0.711 -6.678 1.00 0.00 C ATOM 772 NH1 ARG A 50 -26.472 1.243 -7.435 1.00 0.00 N ATOM 773 NH2 ARG A 50 -25.549 -0.588 -6.406 1.00 0.00 N ATOM 0 H ARG A 50 -24.282 7.667 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.313 5.181 -5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.194 5.681 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -25.824 5.200 -7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.022 3.664 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.371 3.267 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -24.683 3.112 -7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -23.418 3.231 -6.281 1.00 0.00 H new ATOM 0 HE ARG A 50 -23.834 1.032 -5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -26.456 2.241 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -27.218 0.655 -7.806 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.821 -1.002 -5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -26.297 -1.172 -6.779 1.00 0.00 H new ATOM 787 N LEU A 51 -23.186 6.346 -8.099 1.00 0.00 N ATOM 788 CA LEU A 51 -22.945 7.113 -9.317 1.00 0.00 C ATOM 789 C LEU A 51 -23.917 6.705 -10.419 1.00 0.00 C ATOM 790 O LEU A 51 -24.112 5.518 -10.680 1.00 0.00 O ATOM 791 CB LEU A 51 -21.505 6.913 -9.792 1.00 0.00 C ATOM 792 CG LEU A 51 -20.427 7.648 -8.995 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.743 9.133 -8.912 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.294 7.050 -7.602 1.00 0.00 C ATOM 0 H LEU A 51 -22.715 5.442 -8.070 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.104 8.167 -9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.281 5.846 -9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.439 7.231 -10.833 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.475 7.529 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.965 9.639 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.787 9.552 -9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.705 9.273 -8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.522 7.585 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.245 7.138 -7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.020 5.998 -7.682 1.00 0.00 H new ATOM 806 N ILE A 52 -24.523 7.697 -11.063 1.00 0.00 N ATOM 807 CA ILE A 52 -25.472 7.441 -12.140 1.00 0.00 C ATOM 808 C ILE A 52 -24.934 7.938 -13.477 1.00 0.00 C ATOM 809 O ILE A 52 -24.255 8.963 -13.543 1.00 0.00 O ATOM 810 CB ILE A 52 -26.830 8.112 -11.864 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.261 7.865 -10.416 1.00 0.00 C ATOM 812 CG2 ILE A 52 -27.884 7.593 -12.831 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.343 6.399 -10.052 1.00 0.00 C ATOM 0 H ILE A 52 -24.374 8.685 -10.858 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.612 6.361 -12.187 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.724 9.186 -12.014 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.556 8.358 -9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.234 8.327 -10.251 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.838 8.077 -12.623 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.580 7.815 -13.854 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -27.990 6.515 -12.710 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.654 6.299 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.069 5.904 -10.697 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.365 5.936 -10.184 1.00 0.00 H new ATOM 825 N PHE A 53 -25.244 7.207 -14.542 1.00 0.00 N ATOM 826 CA PHE A 53 -24.792 7.574 -15.879 1.00 0.00 C ATOM 827 C PHE A 53 -25.875 7.290 -16.916 1.00 0.00 C ATOM 828 O PHE A 53 -26.373 6.169 -17.018 1.00 0.00 O ATOM 829 CB PHE A 53 -23.515 6.811 -16.237 1.00 0.00 C ATOM 830 CG PHE A 53 -22.874 7.280 -17.512 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.100 8.429 -17.532 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.045 6.571 -18.690 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.509 8.863 -18.704 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.457 7.000 -19.865 1.00 0.00 C ATOM 835 CZ PHE A 53 -21.687 8.147 -19.871 1.00 0.00 C ATOM 0 H PHE A 53 -25.806 6.357 -14.506 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.581 8.643 -15.883 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -22.799 6.913 -15.421 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -23.748 5.750 -16.326 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -21.957 8.992 -16.622 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -23.645 5.673 -18.690 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.909 9.761 -18.707 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -22.599 6.439 -20.777 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.225 8.483 -20.787 1.00 0.00 H new ATOM 845 N ALA A 54 -26.235 8.314 -17.683 1.00 0.00 N ATOM 846 CA ALA A 54 -27.257 8.175 -18.713 1.00 0.00 C ATOM 847 C ALA A 54 -28.552 7.620 -18.130 1.00 0.00 C ATOM 848 O ALA A 54 -29.293 6.906 -18.804 1.00 0.00 O ATOM 849 CB ALA A 54 -26.756 7.280 -19.837 1.00 0.00 C ATOM 0 H ALA A 54 -25.834 9.249 -17.610 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.466 9.165 -19.118 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.530 7.185 -20.599 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -25.862 7.719 -20.280 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.517 6.294 -19.438 1.00 0.00 H new ATOM 855 N GLY A 55 -28.819 7.952 -16.870 1.00 0.00 N ATOM 856 CA GLY A 55 -30.025 7.477 -16.217 1.00 0.00 C ATOM 857 C GLY A 55 -29.907 6.037 -15.758 1.00 0.00 C ATOM 858 O GLY A 55 -30.913 5.364 -15.536 1.00 0.00 O ATOM 0 H GLY A 55 -28.222 8.541 -16.290 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.244 8.112 -15.358 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.866 7.568 -16.904 1.00 0.00 H new ATOM 862 N LYS A 56 -28.674 5.562 -15.618 1.00 0.00 N ATOM 863 CA LYS A 56 -28.427 4.192 -15.183 1.00 0.00 C ATOM 864 C LYS A 56 -27.330 4.147 -14.124 1.00 0.00 C ATOM 865 O LYS A 56 -26.226 4.644 -14.340 1.00 0.00 O ATOM 866 CB LYS A 56 -28.033 3.320 -16.378 1.00 0.00 C ATOM 867 CG LYS A 56 -27.998 1.834 -16.061 1.00 0.00 C ATOM 868 CD LYS A 56 -27.190 1.063 -17.091 1.00 0.00 C ATOM 869 CE LYS A 56 -27.907 1.005 -18.431 1.00 0.00 C ATOM 870 NZ LYS A 56 -29.001 -0.006 -18.431 1.00 0.00 N ATOM 0 H LYS A 56 -27.830 6.105 -15.799 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.347 3.804 -14.745 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.738 3.493 -17.191 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.051 3.630 -16.735 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.567 1.682 -15.071 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -29.015 1.444 -16.029 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -26.216 1.535 -17.218 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -27.009 0.051 -16.730 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -28.319 1.986 -18.665 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -27.190 0.765 -19.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -29.465 -0.015 -19.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -28.604 -0.947 -18.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -29.698 0.237 -17.699 1.00 0.00 H new ATOM 884 N GLN A 57 -27.643 3.546 -12.980 1.00 0.00 N ATOM 885 CA GLN A 57 -26.683 3.436 -11.888 1.00 0.00 C ATOM 886 C GLN A 57 -25.437 2.677 -12.334 1.00 0.00 C ATOM 887 O GLN A 57 -25.488 1.869 -13.262 1.00 0.00 O ATOM 888 CB GLN A 57 -27.321 2.732 -10.689 1.00 0.00 C ATOM 889 CG GLN A 57 -27.779 1.314 -10.989 1.00 0.00 C ATOM 890 CD GLN A 57 -29.216 1.252 -11.467 1.00 0.00 C ATOM 891 OE1 GLN A 57 -29.497 0.771 -12.564 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.135 1.741 -10.642 1.00 0.00 N ATOM 0 H GLN A 57 -28.553 3.128 -12.786 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.388 4.443 -11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -26.604 2.707 -9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.175 3.316 -10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -27.129 0.880 -11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.672 0.705 -10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.856 2.130 -9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.119 1.727 -10.909 1.00 0.00 H new ATOM 901 N LEU A 58 -24.319 2.943 -11.667 1.00 0.00 N ATOM 902 CA LEU A 58 -23.059 2.286 -11.994 1.00 0.00 C ATOM 903 C LEU A 58 -22.603 1.384 -10.852 1.00 0.00 C ATOM 904 O LEU A 58 -22.982 1.587 -9.699 1.00 0.00 O ATOM 905 CB LEU A 58 -21.981 3.329 -12.297 1.00 0.00 C ATOM 906 CG LEU A 58 -22.402 4.486 -13.203 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.329 5.563 -13.228 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.689 3.984 -14.611 1.00 0.00 C ATOM 0 H LEU A 58 -24.260 3.609 -10.897 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.218 1.669 -12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.629 3.743 -11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.133 2.822 -12.758 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.316 4.922 -12.801 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.647 6.378 -13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.172 5.944 -12.219 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.398 5.140 -13.605 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.987 4.821 -15.242 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.792 3.521 -15.022 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.494 3.250 -14.578 1.00 0.00 H new ATOM 920 N GLU A 59 -21.786 0.388 -11.182 1.00 0.00 N ATOM 921 CA GLU A 59 -21.277 -0.545 -10.183 1.00 0.00 C ATOM 922 C GLU A 59 -19.896 -1.062 -10.575 1.00 0.00 C ATOM 923 O GLU A 59 -19.472 -0.923 -11.722 1.00 0.00 O ATOM 924 CB GLU A 59 -22.244 -1.718 -10.010 1.00 0.00 C ATOM 925 CG GLU A 59 -22.450 -2.529 -11.278 1.00 0.00 C ATOM 926 CD GLU A 59 -23.676 -3.419 -11.208 1.00 0.00 C ATOM 927 OE1 GLU A 59 -23.641 -4.418 -10.461 1.00 0.00 O ATOM 928 OE2 GLU A 59 -24.670 -3.116 -11.902 1.00 0.00 O ATOM 0 H GLU A 59 -21.463 0.207 -12.132 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.190 -0.013 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.868 -2.375 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.208 -1.337 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.545 -1.852 -12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.569 -3.144 -11.459 1.00 0.00 H new ATOM 935 N ASP A 60 -19.200 -1.658 -9.613 1.00 0.00 N ATOM 936 CA ASP A 60 -17.867 -2.198 -9.857 1.00 0.00 C ATOM 937 C ASP A 60 -17.891 -3.212 -10.995 1.00 0.00 C ATOM 938 O ASP A 60 -18.946 -3.508 -11.555 1.00 0.00 O ATOM 939 CB ASP A 60 -17.318 -2.850 -8.587 1.00 0.00 C ATOM 940 CG ASP A 60 -17.963 -4.192 -8.300 1.00 0.00 C ATOM 941 OD1 ASP A 60 -19.184 -4.324 -8.527 1.00 0.00 O ATOM 942 OD2 ASP A 60 -17.246 -5.110 -7.850 1.00 0.00 O ATOM 0 H ASP A 60 -19.536 -1.779 -8.658 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.215 -1.373 -10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.241 -2.982 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.481 -2.183 -7.740 1.00 0.00 H new ATOM 947 N GLY A 61 -16.719 -3.742 -11.335 1.00 0.00 N ATOM 948 CA GLY A 61 -16.628 -4.717 -12.406 1.00 0.00 C ATOM 949 C GLY A 61 -16.198 -4.095 -13.720 1.00 0.00 C ATOM 950 O GLY A 61 -15.431 -4.693 -14.475 1.00 0.00 O ATOM 0 H GLY A 61 -15.831 -3.513 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.918 -5.495 -12.126 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.596 -5.201 -12.536 1.00 0.00 H new ATOM 954 N ARG A 62 -16.695 -2.894 -13.995 1.00 0.00 N ATOM 955 CA ARG A 62 -16.360 -2.193 -15.229 1.00 0.00 C ATOM 956 C ARG A 62 -15.619 -0.893 -14.931 1.00 0.00 C ATOM 957 O ARG A 62 -15.563 -0.445 -13.785 1.00 0.00 O ATOM 958 CB ARG A 62 -17.627 -1.897 -16.033 1.00 0.00 C ATOM 959 CG ARG A 62 -17.984 -2.988 -17.030 1.00 0.00 C ATOM 960 CD ARG A 62 -19.093 -2.542 -17.970 1.00 0.00 C ATOM 961 NE ARG A 62 -19.512 -3.614 -18.869 1.00 0.00 N ATOM 962 CZ ARG A 62 -20.566 -3.529 -19.673 1.00 0.00 C ATOM 963 NH1 ARG A 62 -21.304 -2.427 -19.690 1.00 0.00 N ATOM 964 NH2 ARG A 62 -20.883 -4.547 -20.463 1.00 0.00 N ATOM 0 H ARG A 62 -17.331 -2.386 -13.380 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.707 -2.837 -15.818 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.460 -1.759 -15.344 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.496 -0.956 -16.568 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.101 -3.256 -17.609 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.298 -3.884 -16.494 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.949 -2.203 -17.386 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.750 -1.690 -18.557 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.965 -4.475 -18.880 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -21.063 -1.642 -19.085 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -22.113 -2.364 -20.308 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.317 -5.396 -20.453 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -21.693 -4.481 -21.080 1.00 0.00 H new ATOM 978 N THR A 63 -15.050 -0.290 -15.971 1.00 0.00 N ATOM 979 CA THR A 63 -14.311 0.957 -15.821 1.00 0.00 C ATOM 980 C THR A 63 -15.027 2.108 -16.519 1.00 0.00 C ATOM 981 O THR A 63 -15.904 1.890 -17.356 1.00 0.00 O ATOM 982 CB THR A 63 -12.884 0.836 -16.388 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.204 2.091 -16.276 1.00 0.00 O ATOM 984 CG2 THR A 63 -12.916 0.400 -17.845 1.00 0.00 C ATOM 0 H THR A 63 -15.087 -0.646 -16.926 1.00 0.00 H new ATOM 0 HA THR A 63 -14.253 1.163 -14.752 1.00 0.00 H new ATOM 0 HB THR A 63 -12.350 0.081 -15.810 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.132 2.341 -15.331 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.897 0.321 -18.224 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.408 -0.569 -17.924 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.466 1.135 -18.433 1.00 0.00 H new ATOM 992 N LEU A 64 -14.648 3.332 -16.171 1.00 0.00 N ATOM 993 CA LEU A 64 -15.254 4.519 -16.765 1.00 0.00 C ATOM 994 C LEU A 64 -15.206 4.450 -18.288 1.00 0.00 C ATOM 995 O LEU A 64 -16.189 4.754 -18.965 1.00 0.00 O ATOM 996 CB LEU A 64 -14.539 5.780 -16.278 1.00 0.00 C ATOM 997 CG LEU A 64 -14.620 6.060 -14.777 1.00 0.00 C ATOM 998 CD1 LEU A 64 -13.288 6.578 -14.258 1.00 0.00 C ATOM 999 CD2 LEU A 64 -15.734 7.053 -14.479 1.00 0.00 C ATOM 0 H LEU A 64 -13.924 3.529 -15.480 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.298 4.558 -16.453 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.488 5.709 -16.558 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.953 6.637 -16.810 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.847 5.125 -14.264 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.365 6.772 -13.188 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.513 5.833 -14.437 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.030 7.502 -14.776 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.777 7.240 -13.406 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.538 7.988 -15.003 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.687 6.643 -14.814 1.00 0.00 H new ATOM 1011 N SER A 65 -14.058 4.046 -18.821 1.00 0.00 N ATOM 1012 CA SER A 65 -13.881 3.939 -20.265 1.00 0.00 C ATOM 1013 C SER A 65 -14.954 3.044 -20.878 1.00 0.00 C ATOM 1014 O SER A 65 -15.493 3.345 -21.943 1.00 0.00 O ATOM 1015 CB SER A 65 -12.492 3.385 -20.590 1.00 0.00 C ATOM 1016 OG SER A 65 -12.480 2.751 -21.857 1.00 0.00 O ATOM 0 H SER A 65 -13.236 3.787 -18.275 1.00 0.00 H new ATOM 0 HA SER A 65 -13.976 4.937 -20.693 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.762 4.194 -20.578 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.192 2.673 -19.821 1.00 0.00 H new ATOM 0 HG SER A 65 -11.581 2.407 -22.042 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.257 1.943 -20.198 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.265 1.004 -20.677 1.00 0.00 C ATOM 1024 C GLU A 66 -17.670 1.560 -20.469 1.00 0.00 C ATOM 1025 O GLU A 66 -18.623 1.127 -21.116 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.124 -0.339 -19.957 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.042 -1.232 -20.540 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.359 -1.690 -21.950 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.502 -1.466 -22.402 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -14.466 -2.271 -22.601 1.00 0.00 O ATOM 0 H GLU A 66 -14.820 1.679 -19.315 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.108 0.855 -21.745 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.905 -0.156 -18.905 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.078 -0.865 -19.997 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.094 -0.694 -20.542 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.912 -2.104 -19.899 1.00 0.00 H new ATOM 1037 N TYR A 67 -17.790 2.523 -19.561 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.078 3.137 -19.264 1.00 0.00 C ATOM 1039 C TYR A 67 -19.330 4.339 -20.171 1.00 0.00 C ATOM 1040 O TYR A 67 -20.269 5.105 -19.957 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.135 3.570 -17.798 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.418 2.433 -16.842 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -20.608 1.720 -16.912 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -18.495 2.072 -15.869 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -20.871 0.681 -16.040 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -18.748 1.034 -14.994 1.00 0.00 C ATOM 1047 CZ TYR A 67 -19.938 0.341 -15.083 1.00 0.00 C ATOM 1048 OH TYR A 67 -20.195 -0.693 -14.213 1.00 0.00 O ATOM 0 H TYR A 67 -17.010 2.895 -19.018 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.856 2.396 -19.447 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.186 4.034 -17.528 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.906 4.331 -17.682 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.340 1.982 -17.661 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.563 2.613 -15.795 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.802 0.138 -16.107 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.018 0.766 -14.244 1.00 0.00 H new ATOM 0 HH TYR A 67 -19.524 -0.694 -13.498 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.485 4.495 -21.184 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.614 5.602 -22.124 1.00 0.00 C ATOM 1060 C ASN A 68 -18.525 6.943 -21.401 1.00 0.00 C ATOM 1061 O ASN A 68 -18.982 7.966 -21.911 1.00 0.00 O ATOM 1062 CB ASN A 68 -19.941 5.505 -22.879 1.00 0.00 C ATOM 1063 CG ASN A 68 -19.854 4.589 -24.085 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -18.879 3.856 -24.252 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -20.876 4.627 -24.932 1.00 0.00 N ATOM 0 H ASN A 68 -17.703 3.869 -21.375 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.792 5.538 -22.837 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.714 5.140 -22.203 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.245 6.500 -23.203 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.874 4.033 -25.761 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.663 5.250 -24.753 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.934 6.929 -20.211 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.784 8.143 -19.419 1.00 0.00 C ATOM 1074 C ILE A 69 -16.614 8.984 -19.919 1.00 0.00 C ATOM 1075 O ILE A 69 -15.455 8.678 -19.641 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.570 7.820 -17.928 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.747 7.008 -17.385 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.390 9.102 -17.129 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.536 6.507 -15.974 1.00 0.00 C ATOM 0 H ILE A 69 -17.551 6.090 -19.774 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.709 8.709 -19.530 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.664 7.222 -17.828 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.646 7.624 -17.413 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -18.924 6.156 -18.042 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.240 8.857 -16.077 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.522 9.645 -17.503 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.279 9.724 -17.233 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.410 5.940 -15.655 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.656 5.865 -15.944 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.389 7.355 -15.305 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.927 10.045 -20.655 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.902 10.931 -21.193 1.00 0.00 C ATOM 1093 C GLN A 70 -15.358 11.855 -20.108 1.00 0.00 C ATOM 1094 O GLN A 70 -15.638 11.672 -18.923 1.00 0.00 O ATOM 1095 CB GLN A 70 -16.467 11.759 -22.348 1.00 0.00 C ATOM 1096 CG GLN A 70 -17.216 10.931 -23.380 1.00 0.00 C ATOM 1097 CD GLN A 70 -17.187 11.554 -24.761 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -18.207 12.027 -25.263 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -16.015 11.558 -25.385 1.00 0.00 N ATOM 0 H GLN A 70 -17.882 10.312 -20.892 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.084 10.314 -21.565 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.139 12.518 -21.946 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.650 12.286 -22.841 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.779 9.934 -23.426 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.251 10.811 -23.062 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.195 11.155 -24.932 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.935 11.964 -26.317 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.579 12.849 -20.521 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.996 13.804 -19.586 1.00 0.00 C ATOM 1110 C LYS A 71 -14.937 14.981 -19.351 1.00 0.00 C ATOM 1111 O LYS A 71 -14.730 15.780 -18.439 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.651 14.310 -20.113 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.723 14.868 -21.524 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.401 15.487 -21.947 1.00 0.00 C ATOM 1115 CE LYS A 71 -11.274 16.920 -21.454 1.00 0.00 C ATOM 1116 NZ LYS A 71 -11.862 17.892 -22.418 1.00 0.00 N ATOM 0 H LYS A 71 -14.337 13.014 -21.498 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.838 13.293 -18.636 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.276 15.084 -19.444 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.930 13.492 -20.091 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.991 14.071 -22.218 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.512 15.618 -21.580 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.577 14.892 -21.554 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.319 15.466 -23.034 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.773 17.018 -20.490 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.222 17.157 -21.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.756 18.857 -22.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.370 17.817 -23.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.872 17.681 -22.551 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.972 15.079 -20.180 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.945 16.158 -20.061 1.00 0.00 C ATOM 1132 C GLU A 72 -18.340 15.605 -19.781 1.00 0.00 C ATOM 1133 O GLU A 72 -19.334 16.325 -19.871 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.966 16.999 -21.339 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.684 17.781 -21.575 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.723 18.593 -22.855 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.641 17.987 -23.944 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -15.834 19.833 -22.768 1.00 0.00 O ATOM 0 H GLU A 72 -16.158 14.425 -20.940 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.648 16.789 -19.223 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.144 16.344 -22.192 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.803 17.696 -21.292 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.509 18.448 -20.731 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.843 17.089 -21.614 1.00 0.00 H new ATOM 1145 N SER A 73 -18.403 14.322 -19.441 1.00 0.00 N ATOM 1146 CA SER A 73 -19.675 13.670 -19.151 1.00 0.00 C ATOM 1147 C SER A 73 -20.345 14.303 -17.935 1.00 0.00 C ATOM 1148 O SER A 73 -19.849 15.283 -17.377 1.00 0.00 O ATOM 1149 CB SER A 73 -19.463 12.175 -18.910 1.00 0.00 C ATOM 1150 OG SER A 73 -19.207 11.493 -20.126 1.00 0.00 O ATOM 0 H SER A 73 -17.589 13.713 -19.359 1.00 0.00 H new ATOM 0 HA SER A 73 -20.328 13.802 -20.014 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.628 12.029 -18.225 1.00 0.00 H new ATOM 0 HB3 SER A 73 -20.346 11.752 -18.431 1.00 0.00 H new ATOM 0 HG SER A 73 -19.673 10.631 -20.122 1.00 0.00 H new ATOM 1156 N THR A 74 -21.476 13.735 -17.528 1.00 0.00 N ATOM 1157 CA THR A 74 -22.216 14.243 -16.379 1.00 0.00 C ATOM 1158 C THR A 74 -22.568 13.119 -15.412 1.00 0.00 C ATOM 1159 O THR A 74 -23.359 12.231 -15.735 1.00 0.00 O ATOM 1160 CB THR A 74 -23.511 14.954 -16.815 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.331 15.555 -18.102 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.910 16.018 -15.804 1.00 0.00 C ATOM 0 H THR A 74 -21.900 12.923 -17.977 1.00 0.00 H new ATOM 0 HA THR A 74 -21.567 14.961 -15.877 1.00 0.00 H new ATOM 0 HB THR A 74 -24.307 14.211 -16.870 1.00 0.00 H new ATOM 0 HG1 THR A 74 -24.159 16.003 -18.372 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.827 16.507 -16.133 1.00 0.00 H new ATOM 0 HG22 THR A 74 -24.075 15.553 -14.832 1.00 0.00 H new ATOM 0 HG23 THR A 74 -23.114 16.758 -15.721 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.977 13.161 -14.223 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.228 12.146 -13.206 1.00 0.00 C ATOM 1172 C LEU A 75 -23.130 12.691 -12.104 1.00 0.00 C ATOM 1173 O LEU A 75 -23.052 13.867 -11.747 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.908 11.658 -12.607 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.261 10.457 -13.297 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.191 9.254 -13.257 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -19.892 10.801 -14.732 1.00 0.00 C ATOM 0 H LEU A 75 -21.320 13.888 -13.939 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.735 11.307 -13.683 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.198 12.485 -12.621 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.079 11.402 -11.561 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.347 10.202 -12.760 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.714 8.409 -13.753 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.404 8.993 -12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.122 9.497 -13.769 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.433 9.934 -15.207 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.790 11.082 -15.281 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.188 11.633 -14.737 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.986 11.827 -11.565 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.901 12.222 -10.500 1.00 0.00 C ATOM 1191 C HIS A 76 -24.717 11.337 -9.270 1.00 0.00 C ATOM 1192 O HIS A 76 -24.527 10.126 -9.387 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.348 12.143 -10.987 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.849 13.421 -11.585 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.307 14.478 -10.827 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.960 13.810 -12.877 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.680 15.461 -11.627 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.479 15.082 -12.876 1.00 0.00 N ATOM 0 H HIS A 76 -24.065 10.850 -11.848 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.674 13.252 -10.223 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.430 11.348 -11.728 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.990 11.867 -10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -26.691 13.229 -13.746 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -28.081 16.413 -11.313 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.677 15.642 -13.705 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.773 11.950 -8.093 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.612 11.219 -6.841 1.00 0.00 C ATOM 1208 C LEU A 77 -25.952 11.050 -6.133 1.00 0.00 C ATOM 1209 O LEU A 77 -26.578 12.029 -5.724 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.626 11.946 -5.925 1.00 0.00 C ATOM 1211 CG LEU A 77 -22.519 12.737 -6.624 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -21.745 13.574 -5.618 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -21.584 11.798 -7.372 1.00 0.00 C ATOM 0 H LEU A 77 -24.929 12.952 -7.979 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.218 10.230 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -24.188 12.630 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -23.161 11.211 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 77 -22.980 13.410 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -20.962 14.130 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -22.423 14.273 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -21.295 12.920 -4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -20.803 12.378 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.130 11.100 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.149 11.243 -8.121 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.387 9.802 -5.988 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.651 9.505 -5.326 1.00 0.00 C ATOM 1227 C VAL A 78 -27.422 8.776 -4.006 1.00 0.00 C ATOM 1228 O VAL A 78 -26.822 7.701 -3.974 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.566 8.647 -6.221 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.196 9.500 -7.312 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -27.786 7.488 -6.823 1.00 0.00 C ATOM 0 H VAL A 78 -25.882 8.980 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 78 -28.138 10.460 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.367 8.236 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.839 8.878 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.789 10.293 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.412 9.941 -7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.447 6.892 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -26.964 7.876 -7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.387 6.864 -6.024 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.904 9.368 -2.919 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.752 8.775 -1.595 1.00 0.00 C ATOM 1243 C LEU A 79 -28.987 7.963 -1.217 1.00 0.00 C ATOM 1244 O LEU A 79 -30.117 8.379 -1.471 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.507 9.866 -0.551 1.00 0.00 C ATOM 1246 CG LEU A 79 -26.663 11.056 -1.009 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -26.497 12.059 0.121 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.306 10.586 -1.511 1.00 0.00 C ATOM 0 H LEU A 79 -28.403 10.258 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.893 8.105 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.473 10.240 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.021 9.412 0.312 1.00 0.00 H new ATOM 0 HG LEU A 79 -27.181 11.549 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -25.894 12.899 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -27.477 12.420 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -26.001 11.578 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.719 11.446 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -24.781 10.068 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.445 9.906 -2.352 1.00 0.00 H new