USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 120:sc= 0.514 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.474 USER MOD Set 2.1: A 22 THR OG1 : rot -41:sc= 0.0471 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.374 K(o=0.42,f=-4.1!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 179:sc= 1.34 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 161:sc= 1.07 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.042) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.27 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.16 (180deg=0.876) USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.714 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 2 (180deg=1.96) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0701 X(o=-0.07,f=-0.22) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0453 K(o=-0.045,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= 1.31 K(o=1.3,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0923 K(o=-0.092,f=-1.4) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.326 USER MOD Single : A 60 ASN : amide:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.797 -6.631 -4.881 1.00 9.67 N ATOM 2 CA MET A 1 11.636 -6.461 -3.483 1.00 10.38 C ATOM 3 C MET A 1 10.262 -7.017 -3.091 1.00 9.62 C ATOM 4 O MET A 1 9.283 -6.668 -3.696 1.00 9.62 O ATOM 5 CB MET A 1 11.879 -4.991 -3.186 1.00 13.77 C ATOM 6 CG MET A 1 11.744 -4.689 -1.710 1.00 16.29 C ATOM 7 SD MET A 1 12.009 -2.891 -1.210 1.00 17.17 S ATOM 8 CE MET A 1 10.343 -2.363 -1.231 1.00 16.11 C ATOM 0 H1 MET A 1 12.641 -6.113 -5.199 1.00 9.67 H new ATOM 0 H2 MET A 1 11.909 -7.642 -5.097 1.00 9.67 H new ATOM 0 H3 MET A 1 10.959 -6.262 -5.374 1.00 9.67 H new ATOM 0 HA MET A 1 12.348 -7.015 -2.871 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.876 -4.711 -3.525 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.169 -4.384 -3.748 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.749 -4.993 -1.386 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.459 -5.306 -1.166 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.302 -1.282 -1.098 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.889 -2.629 -2.186 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.797 -2.849 -0.422 1.00 16.11 H new ATOM 20 N GLN A 2 10.209 -7.854 -2.036 1.00 9.27 N ATOM 21 CA GLN A 2 8.999 -8.477 -1.513 1.00 9.07 C ATOM 22 C GLN A 2 8.543 -7.715 -0.281 1.00 8.72 C ATOM 23 O GLN A 2 9.309 -7.521 0.637 1.00 8.22 O ATOM 24 CB GLN A 2 9.251 -9.949 -1.124 1.00 14.46 C ATOM 25 CG GLN A 2 8.048 -10.737 -0.505 1.00 17.01 C ATOM 26 CD GLN A 2 8.290 -12.242 -0.285 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.247 -12.745 0.814 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.533 -12.966 -1.374 1.00 19.49 N ATOM 0 H GLN A 2 11.044 -8.118 -1.513 1.00 9.27 H new ATOM 0 HA GLN A 2 8.235 -8.450 -2.290 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.583 -10.483 -2.015 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.075 -9.975 -0.411 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.792 -10.283 0.452 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.182 -10.616 -1.156 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.564 -12.516 -2.289 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.689 -13.971 -1.294 1.00 19.49 H new ATOM 37 N ILE A 3 7.266 -7.278 -0.254 1.00 5.87 N ATOM 38 CA ILE A 3 6.562 -6.677 0.859 1.00 5.07 C ATOM 39 C ILE A 3 5.264 -7.402 1.121 1.00 4.01 C ATOM 40 O ILE A 3 4.822 -8.286 0.382 1.00 4.61 O ATOM 41 CB ILE A 3 6.304 -5.227 0.675 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.658 -4.851 -0.708 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.689 -4.471 0.980 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.526 -3.343 -0.890 1.00 10.83 C ATOM 0 H ILE A 3 6.671 -7.349 -1.079 1.00 5.87 H new ATOM 0 HA ILE A 3 7.219 -6.775 1.723 1.00 5.07 H new ATOM 0 HB ILE A 3 5.534 -4.897 1.373 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.266 -5.261 -1.515 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.673 -5.312 -0.785 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.552 -3.397 0.858 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.002 -4.683 2.002 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.454 -4.820 0.287 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.075 -3.132 -1.859 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.896 -2.935 -0.100 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.513 -2.883 -0.841 1.00 10.83 H new ATOM 56 N PHE A 4 4.687 -7.074 2.346 1.00 4.55 N ATOM 57 CA PHE A 4 3.441 -7.734 2.769 1.00 4.68 C ATOM 58 C PHE A 4 2.422 -6.572 2.915 1.00 5.30 C ATOM 59 O PHE A 4 2.820 -5.467 3.275 1.00 5.58 O ATOM 60 CB PHE A 4 3.614 -8.333 4.141 1.00 4.83 C ATOM 61 CG PHE A 4 4.622 -9.537 4.071 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.390 -10.598 3.217 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.894 -9.456 4.734 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.298 -11.622 3.193 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.762 -10.555 4.713 1.00 10.61 C ATOM 66 CZ PHE A 4 6.440 -11.702 3.972 1.00 8.90 C ATOM 0 H PHE A 4 5.063 -6.391 3.004 1.00 4.55 H new ATOM 0 HA PHE A 4 3.143 -8.515 2.069 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.983 -7.577 4.834 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.652 -8.674 4.523 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.515 -10.619 2.585 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.180 -8.550 5.247 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.108 -12.436 2.509 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.686 -10.519 5.271 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.047 -12.595 4.007 1.00 8.90 H new ATOM 76 N VAL A 5 1.096 -6.766 2.694 1.00 4.44 N ATOM 77 CA VAL A 5 0.066 -5.814 3.086 1.00 3.87 C ATOM 78 C VAL A 5 -0.868 -6.642 3.952 1.00 4.93 C ATOM 79 O VAL A 5 -1.160 -7.815 3.670 1.00 6.84 O ATOM 80 CB VAL A 5 -0.697 -5.121 1.951 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.778 -4.105 2.494 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.316 -4.397 1.060 1.00 9.13 C ATOM 0 H VAL A 5 0.726 -7.598 2.235 1.00 4.44 H new ATOM 0 HA VAL A 5 0.528 -4.963 3.587 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.237 -5.876 1.380 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.293 -3.638 1.654 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.501 -4.638 3.112 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.287 -3.336 3.091 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.208 -3.897 0.245 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.857 -3.658 1.651 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.021 -5.120 0.649 1.00 9.13 H new ATOM 92 N LYS A 6 -1.278 -6.132 5.143 1.00 6.04 N ATOM 93 CA LYS A 6 -2.389 -6.662 5.910 1.00 6.12 C ATOM 94 C LYS A 6 -3.663 -5.954 5.516 1.00 6.57 C ATOM 95 O LYS A 6 -3.724 -4.740 5.630 1.00 5.76 O ATOM 96 CB LYS A 6 -2.212 -6.405 7.420 1.00 7.45 C ATOM 97 CG LYS A 6 -0.982 -7.083 7.968 1.00 11.12 C ATOM 98 CD LYS A 6 -1.107 -8.578 8.234 1.00 14.54 C ATOM 99 CE LYS A 6 0.283 -9.106 8.566 1.00 18.84 C ATOM 100 NZ LYS A 6 0.407 -10.506 9.060 1.00 20.55 N ATOM 0 H LYS A 6 -0.827 -5.331 5.585 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.429 -7.732 5.707 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.145 -5.332 7.600 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.092 -6.763 7.954 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.162 -6.926 7.267 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.704 -6.590 8.900 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.794 -8.764 9.060 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.512 -9.089 7.361 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.896 -9.014 7.670 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.718 -8.448 9.319 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.409 -10.728 9.227 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.123 -10.609 9.949 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.021 -11.160 8.350 1.00 20.55 H new ATOM 114 N THR A 7 -4.661 -6.725 4.938 1.00 7.41 N ATOM 115 CA THR A 7 -5.795 -6.211 4.212 1.00 7.48 C ATOM 116 C THR A 7 -6.891 -5.537 5.062 1.00 8.75 C ATOM 117 O THR A 7 -6.590 -5.131 6.212 1.00 8.58 O ATOM 118 CB THR A 7 -6.416 -7.270 3.282 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.982 -8.298 4.069 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.332 -7.951 2.440 1.00 9.17 C ATOM 0 H THR A 7 -4.657 -7.744 4.991 1.00 7.41 H new ATOM 0 HA THR A 7 -5.362 -5.408 3.615 1.00 7.48 H new ATOM 0 HB THR A 7 -7.150 -6.769 2.650 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.381 -8.976 3.484 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.791 -8.696 1.790 1.00 9.17 H new ATOM 0 HG22 THR A 7 -4.821 -7.204 1.832 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.612 -8.438 3.098 1.00 9.17 H new ATOM 128 N LEU A 8 -8.162 -5.451 4.607 1.00 9.84 N ATOM 129 CA LEU A 8 -9.197 -4.913 5.501 1.00 14.15 C ATOM 130 C LEU A 8 -9.409 -5.727 6.761 1.00 17.37 C ATOM 131 O LEU A 8 -9.483 -5.122 7.820 1.00 17.01 O ATOM 132 CB LEU A 8 -10.614 -4.576 4.900 1.00 16.63 C ATOM 133 CG LEU A 8 -10.523 -3.503 3.784 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.898 -3.056 3.327 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.806 -2.210 4.155 1.00 18.59 C ATOM 0 H LEU A 8 -8.479 -5.731 3.679 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.730 -3.953 5.721 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -11.063 -5.483 4.497 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.271 -4.221 5.694 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.950 -4.025 3.018 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.795 -2.304 2.545 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.448 -3.912 2.937 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.441 -2.630 4.171 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.804 -1.536 3.298 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.322 -1.735 4.989 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.779 -2.433 4.443 1.00 18.59 H new ATOM 147 N THR A 9 -9.477 -7.065 6.664 1.00 18.33 N ATOM 148 CA THR A 9 -9.752 -7.988 7.787 1.00 19.24 C ATOM 149 C THR A 9 -8.465 -8.624 8.293 1.00 19.48 C ATOM 150 O THR A 9 -8.457 -9.629 8.979 1.00 23.14 O ATOM 151 CB THR A 9 -10.829 -9.012 7.498 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.539 -9.866 6.418 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.098 -8.278 7.159 1.00 19.70 C ATOM 0 H THR A 9 -9.339 -7.552 5.779 1.00 18.33 H new ATOM 0 HA THR A 9 -10.167 -7.377 8.589 1.00 19.24 H new ATOM 0 HB THR A 9 -10.911 -9.632 8.391 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.277 -10.499 6.294 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.889 -8.997 6.947 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.393 -7.653 8.002 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.933 -7.651 6.283 1.00 19.70 H new ATOM 161 N GLY A 10 -7.327 -7.997 7.938 1.00 19.43 N ATOM 162 CA GLY A 10 -6.052 -8.443 8.508 1.00 18.74 C ATOM 163 C GLY A 10 -5.511 -9.744 7.994 1.00 17.62 C ATOM 164 O GLY A 10 -4.738 -10.366 8.681 1.00 19.74 O ATOM 0 H GLY A 10 -7.267 -7.214 7.287 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.307 -7.668 8.327 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.171 -8.525 9.588 1.00 18.74 H new ATOM 168 N LYS A 11 -5.902 -10.097 6.725 1.00 13.56 N ATOM 169 CA LYS A 11 -5.199 -11.133 5.988 1.00 11.91 C ATOM 170 C LYS A 11 -3.879 -10.619 5.397 1.00 10.18 C ATOM 171 O LYS A 11 -3.697 -9.474 5.000 1.00 9.10 O ATOM 172 CB LYS A 11 -6.163 -11.769 4.905 1.00 13.43 C ATOM 173 CG LYS A 11 -5.479 -12.783 4.071 1.00 16.69 C ATOM 174 CD LYS A 11 -6.395 -13.102 2.857 1.00 17.92 C ATOM 175 CE LYS A 11 -6.003 -12.237 1.685 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.923 -12.373 0.563 1.00 21.93 N ATOM 0 H LYS A 11 -6.685 -9.674 6.226 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.913 -11.927 6.678 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.015 -12.228 5.405 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.557 -10.980 4.264 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.513 -12.409 3.732 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.286 -13.686 4.650 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.308 -14.155 2.590 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.438 -12.925 3.119 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.971 -11.194 2.001 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.997 -12.503 1.361 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.955 -11.480 0.030 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.597 -13.138 -0.062 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.874 -12.598 0.919 1.00 21.93 H new ATOM 190 N THR A 12 -2.833 -11.464 5.328 1.00 9.63 N ATOM 191 CA THR A 12 -1.544 -11.071 4.794 1.00 9.85 C ATOM 192 C THR A 12 -1.561 -11.370 3.339 1.00 11.66 C ATOM 193 O THR A 12 -1.724 -12.503 2.932 1.00 12.33 O ATOM 194 CB THR A 12 -0.296 -11.795 5.398 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.390 -11.842 6.815 1.00 10.91 O ATOM 196 CG2 THR A 12 0.954 -11.007 5.087 1.00 9.63 C ATOM 0 H THR A 12 -2.872 -12.433 5.644 1.00 9.63 H new ATOM 0 HA THR A 12 -1.428 -10.017 5.047 1.00 9.85 H new ATOM 0 HB THR A 12 -0.258 -12.797 4.971 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.208 -12.538 7.160 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.820 -11.516 5.510 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.073 -10.925 4.007 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.872 -10.010 5.519 1.00 9.63 H new ATOM 204 N ILE A 13 -1.375 -10.351 2.524 1.00 10.42 N ATOM 205 CA ILE A 13 -1.196 -10.548 1.090 1.00 11.84 C ATOM 206 C ILE A 13 0.290 -10.251 0.824 1.00 10.55 C ATOM 207 O ILE A 13 0.850 -9.317 1.361 1.00 11.92 O ATOM 208 CB ILE A 13 -2.085 -9.741 0.144 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.293 -8.283 0.559 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.396 -10.571 -0.029 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.203 -7.531 -0.411 1.00 16.46 C ATOM 0 H ILE A 13 -1.343 -9.377 2.825 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.507 -11.567 0.862 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.597 -9.609 -0.822 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.725 -8.250 1.559 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.327 -7.781 0.612 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.075 -10.043 -0.698 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.156 -11.547 -0.452 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.873 -10.704 0.942 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.321 -6.501 -0.075 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.759 -7.539 -1.407 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.179 -8.016 -0.444 1.00 16.46 H new ATOM 223 N THR A 14 0.997 -11.034 0.016 1.00 9.39 N ATOM 224 CA THR A 14 2.367 -10.747 -0.266 1.00 9.63 C ATOM 225 C THR A 14 2.455 -10.108 -1.621 1.00 11.20 C ATOM 226 O THR A 14 1.858 -10.530 -2.629 1.00 11.63 O ATOM 227 CB THR A 14 3.155 -11.990 -0.242 1.00 10.38 C ATOM 228 OG1 THR A 14 3.092 -12.568 0.987 1.00 16.30 O ATOM 229 CG2 THR A 14 4.580 -11.908 -0.687 1.00 11.66 C ATOM 0 H THR A 14 0.630 -11.866 -0.446 1.00 9.39 H new ATOM 0 HA THR A 14 2.767 -10.069 0.488 1.00 9.63 H new ATOM 0 HB THR A 14 2.675 -12.603 -1.005 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.598 -12.028 1.629 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.040 -12.894 -0.618 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.619 -11.560 -1.719 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.121 -11.210 -0.048 1.00 11.66 H new ATOM 237 N LEU A 15 3.217 -8.995 -1.746 1.00 8.29 N ATOM 238 CA LEU A 15 3.391 -8.281 -3.028 1.00 9.03 C ATOM 239 C LEU A 15 4.843 -8.215 -3.489 1.00 8.59 C ATOM 240 O LEU A 15 5.786 -8.121 -2.711 1.00 7.79 O ATOM 241 CB LEU A 15 2.847 -6.891 -2.943 1.00 11.08 C ATOM 242 CG LEU A 15 1.431 -6.654 -2.459 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.050 -5.169 -2.316 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.257 -7.301 -3.260 1.00 15.27 C ATOM 0 H LEU A 15 3.723 -8.572 -0.967 1.00 8.29 H new ATOM 0 HA LEU A 15 2.834 -8.861 -3.764 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.511 -6.324 -2.290 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.926 -6.452 -3.937 1.00 11.08 H new ATOM 0 HG LEU A 15 1.515 -7.165 -1.500 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.021 -5.090 -1.965 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.716 -4.690 -1.598 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.143 -4.675 -3.283 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.691 -7.040 -2.790 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.268 -6.930 -4.285 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.374 -8.385 -3.265 1.00 15.27 H new ATOM 256 N GLU A 16 5.043 -8.252 -4.811 1.00 11.04 N ATOM 257 CA GLU A 16 6.306 -8.159 -5.536 1.00 11.50 C ATOM 258 C GLU A 16 6.469 -6.754 -6.237 1.00 10.13 C ATOM 259 O GLU A 16 5.603 -6.343 -6.992 1.00 9.83 O ATOM 260 CB GLU A 16 6.335 -9.333 -6.630 1.00 17.22 C ATOM 261 CG GLU A 16 7.637 -9.441 -7.485 1.00 23.33 C ATOM 262 CD GLU A 16 7.405 -10.366 -8.642 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.479 -10.136 -9.470 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.051 -11.437 -8.738 1.00 28.86 O ATOM 0 H GLU A 16 4.256 -8.357 -5.451 1.00 11.04 H new ATOM 0 HA GLU A 16 7.135 -8.265 -4.836 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.180 -10.283 -6.118 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.491 -9.194 -7.306 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.929 -8.455 -7.848 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.458 -9.810 -6.870 1.00 23.33 H new ATOM 271 N VAL A 17 7.495 -5.943 -5.929 1.00 8.99 N ATOM 272 CA VAL A 17 7.688 -4.566 -6.340 1.00 8.85 C ATOM 273 C VAL A 17 9.158 -4.287 -6.407 1.00 8.04 C ATOM 274 O VAL A 17 10.031 -5.084 -6.021 1.00 8.99 O ATOM 275 CB VAL A 17 6.854 -3.538 -5.552 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.391 -3.892 -5.371 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.484 -3.405 -4.169 1.00 10.54 C ATOM 0 H VAL A 17 8.262 -6.270 -5.341 1.00 8.99 H new ATOM 0 HA VAL A 17 7.278 -4.438 -7.342 1.00 8.85 H new ATOM 0 HB VAL A 17 6.866 -2.617 -6.134 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.894 -3.105 -4.804 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.917 -3.991 -6.348 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.309 -4.835 -4.831 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.919 -2.683 -3.580 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.470 -4.373 -3.668 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.514 -3.064 -4.270 1.00 10.54 H new ATOM 287 N GLU A 18 9.478 -3.059 -6.884 1.00 7.29 N ATOM 288 CA GLU A 18 10.843 -2.593 -6.778 1.00 7.08 C ATOM 289 C GLU A 18 10.871 -1.345 -5.868 1.00 6.45 C ATOM 290 O GLU A 18 9.883 -0.676 -5.711 1.00 5.28 O ATOM 291 CB GLU A 18 11.425 -2.201 -8.166 1.00 10.28 C ATOM 292 CG GLU A 18 11.705 -3.443 -9.075 1.00 12.65 C ATOM 293 CD GLU A 18 12.773 -4.403 -8.534 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.723 -3.889 -7.864 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.734 -5.607 -8.814 1.00 18.17 O ATOM 0 H GLU A 18 8.825 -2.411 -7.325 1.00 7.29 H new ATOM 0 HA GLU A 18 11.447 -3.401 -6.365 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.727 -1.535 -8.673 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.351 -1.644 -8.023 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.775 -3.995 -9.211 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.015 -3.093 -10.060 1.00 12.65 H new ATOM 302 N PRO A 19 11.935 -0.945 -5.178 1.00 7.24 N ATOM 303 CA PRO A 19 11.927 0.203 -4.302 1.00 7.07 C ATOM 304 C PRO A 19 11.771 1.543 -5.002 1.00 6.65 C ATOM 305 O PRO A 19 11.462 2.585 -4.384 1.00 6.37 O ATOM 306 CB PRO A 19 13.220 0.035 -3.463 1.00 7.61 C ATOM 307 CG PRO A 19 14.094 -0.626 -4.465 1.00 8.16 C ATOM 308 CD PRO A 19 13.257 -1.547 -5.346 1.00 7.49 C ATOM 0 HA PRO A 19 11.040 0.229 -3.669 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.623 0.989 -3.123 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.064 -0.579 -2.576 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.594 0.124 -5.078 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.874 -1.198 -3.962 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.587 -1.540 -6.385 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.287 -2.583 -5.009 1.00 7.49 H new ATOM 316 N SER A 20 11.888 1.534 -6.282 1.00 6.80 N ATOM 317 CA SER A 20 11.584 2.583 -7.288 1.00 6.28 C ATOM 318 C SER A 20 10.119 2.573 -7.808 1.00 8.45 C ATOM 319 O SER A 20 9.784 3.353 -8.694 1.00 7.26 O ATOM 320 CB SER A 20 12.374 2.473 -8.600 1.00 8.57 C ATOM 321 OG SER A 20 12.301 1.087 -8.981 1.00 11.13 O ATOM 0 H SER A 20 12.243 0.697 -6.745 1.00 6.80 H new ATOM 0 HA SER A 20 11.837 3.471 -6.709 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.946 3.114 -9.370 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.408 2.788 -8.462 1.00 8.57 H new ATOM 0 HG SER A 20 12.790 0.952 -9.820 1.00 11.13 H new ATOM 327 N ASP A 21 9.231 1.720 -7.282 1.00 7.50 N ATOM 328 CA ASP A 21 7.748 1.849 -7.505 1.00 7.70 C ATOM 329 C ASP A 21 7.107 2.828 -6.498 1.00 7.08 C ATOM 330 O ASP A 21 7.447 2.926 -5.310 1.00 8.11 O ATOM 331 CB ASP A 21 7.029 0.499 -7.254 1.00 11.00 C ATOM 332 CG ASP A 21 7.329 -0.411 -8.383 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.411 0.038 -9.568 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.448 -1.628 -8.124 1.00 14.36 O ATOM 0 H ASP A 21 9.493 0.927 -6.697 1.00 7.50 H new ATOM 0 HA ASP A 21 7.635 2.193 -8.533 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.365 0.060 -6.314 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.953 0.653 -7.167 1.00 11.00 H new ATOM 339 N THR A 22 6.076 3.552 -6.992 1.00 5.37 N ATOM 340 CA THR A 22 5.326 4.514 -6.070 1.00 6.01 C ATOM 341 C THR A 22 4.224 3.795 -5.292 1.00 8.01 C ATOM 342 O THR A 22 3.793 2.643 -5.596 1.00 8.11 O ATOM 343 CB THR A 22 4.729 5.792 -6.782 1.00 8.92 C ATOM 344 OG1 THR A 22 3.838 5.423 -7.799 1.00 10.22 O ATOM 345 CG2 THR A 22 5.847 6.658 -7.367 1.00 9.65 C ATOM 0 H THR A 22 5.741 3.515 -7.955 1.00 5.37 H new ATOM 0 HA THR A 22 6.091 4.880 -5.385 1.00 6.01 H new ATOM 0 HB THR A 22 4.189 6.370 -6.032 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.204 4.661 -8.294 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.414 7.532 -7.853 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.514 6.980 -6.567 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.411 6.079 -8.098 1.00 9.65 H new ATOM 353 N ILE A 23 3.637 4.508 -4.283 1.00 8.32 N ATOM 354 CA ILE A 23 2.471 3.997 -3.537 1.00 9.92 C ATOM 355 C ILE A 23 1.258 3.652 -4.421 1.00 10.01 C ATOM 356 O ILE A 23 0.575 2.662 -4.329 1.00 8.71 O ATOM 357 CB ILE A 23 2.021 5.010 -2.416 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.228 5.290 -1.435 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.702 4.724 -1.670 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.752 4.141 -0.615 1.00 12.30 C ATOM 0 H ILE A 23 3.957 5.428 -3.979 1.00 8.32 H new ATOM 0 HA ILE A 23 2.816 3.065 -3.088 1.00 9.92 H new ATOM 0 HB ILE A 23 1.752 5.914 -2.962 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.055 5.683 -2.026 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.924 6.080 -0.748 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.525 5.505 -0.931 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.123 4.706 -2.383 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.770 3.759 -1.169 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.577 4.485 0.008 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.955 3.754 0.020 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.104 3.351 -1.279 1.00 12.30 H new ATOM 372 N GLU A 24 1.034 4.494 -5.416 1.00 9.54 N ATOM 373 CA GLU A 24 0.140 4.281 -6.501 1.00 11.81 C ATOM 374 C GLU A 24 0.251 2.928 -7.180 1.00 11.14 C ATOM 375 O GLU A 24 -0.756 2.246 -7.436 1.00 10.62 O ATOM 376 CB GLU A 24 0.328 5.464 -7.511 1.00 19.24 C ATOM 377 CG GLU A 24 -0.631 5.547 -8.630 1.00 27.76 C ATOM 378 CD GLU A 24 -0.535 6.910 -9.365 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.428 7.021 -10.180 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.498 7.719 -9.264 1.00 36.51 O ATOM 0 H GLU A 24 1.509 5.395 -5.475 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.872 4.264 -6.096 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.278 6.398 -6.952 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.332 5.396 -7.929 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.439 4.738 -9.335 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.644 5.407 -8.253 1.00 27.76 H new ATOM 387 N ASN A 25 1.487 2.489 -7.358 1.00 9.43 N ATOM 388 CA ASN A 25 1.730 1.244 -8.080 1.00 10.96 C ATOM 389 C ASN A 25 1.493 -0.051 -7.224 1.00 9.68 C ATOM 390 O ASN A 25 0.973 -1.086 -7.612 1.00 9.33 O ATOM 391 CB ASN A 25 3.249 1.197 -8.454 1.00 16.78 C ATOM 392 CG ASN A 25 3.617 2.094 -9.666 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.568 2.874 -9.573 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.858 1.991 -10.782 1.00 24.70 N ATOM 0 H ASN A 25 2.325 2.963 -7.021 1.00 9.43 H new ATOM 0 HA ASN A 25 1.041 1.246 -8.925 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.837 1.508 -7.591 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.528 0.167 -8.676 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.063 2.574 -11.594 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.081 1.331 -10.811 1.00 24.70 H new ATOM 401 N VAL A 26 1.804 0.095 -5.908 1.00 6.52 N ATOM 402 CA VAL A 26 1.433 -0.838 -4.849 1.00 5.53 C ATOM 403 C VAL A 26 -0.084 -0.917 -4.660 1.00 4.42 C ATOM 404 O VAL A 26 -0.508 -2.079 -4.620 1.00 3.40 O ATOM 405 CB VAL A 26 2.054 -0.472 -3.492 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.880 -1.638 -2.527 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.567 -0.199 -3.690 1.00 8.12 C ATOM 0 H VAL A 26 2.335 0.894 -5.561 1.00 6.52 H new ATOM 0 HA VAL A 26 1.821 -1.802 -5.177 1.00 5.53 H new ATOM 0 HB VAL A 26 1.564 0.414 -3.088 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.320 -1.381 -1.563 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.818 -1.848 -2.397 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.377 -2.521 -2.929 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.018 0.062 -2.733 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.049 -1.092 -4.087 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.699 0.626 -4.390 1.00 8.12 H new ATOM 417 N LYS A 27 -0.844 0.188 -4.636 1.00 2.64 N ATOM 418 CA LYS A 27 -2.282 0.125 -4.571 1.00 4.14 C ATOM 419 C LYS A 27 -2.957 -0.547 -5.756 1.00 5.58 C ATOM 420 O LYS A 27 -3.901 -1.352 -5.540 1.00 4.11 O ATOM 421 CB LYS A 27 -2.868 1.600 -4.463 1.00 3.97 C ATOM 422 CG LYS A 27 -2.603 2.242 -3.079 1.00 7.45 C ATOM 423 CD LYS A 27 -3.473 3.507 -2.811 1.00 9.02 C ATOM 424 CE LYS A 27 -3.073 4.696 -3.667 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.893 5.855 -3.339 1.00 15.47 N ATOM 0 H LYS A 27 -0.467 1.136 -4.661 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.497 -0.487 -3.695 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.424 2.222 -5.240 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.942 1.576 -4.649 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.797 1.504 -2.301 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.549 2.512 -3.007 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.520 3.267 -2.998 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.392 3.780 -1.759 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.020 4.930 -3.507 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.188 4.448 -4.722 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.655 6.640 -3.978 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.898 5.611 -3.449 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.712 6.141 -2.356 1.00 15.47 H new ATOM 439 N ALA A 28 -2.412 -0.297 -7.006 1.00 6.61 N ATOM 440 CA ALA A 28 -2.738 -1.140 -8.182 1.00 7.74 C ATOM 441 C ALA A 28 -2.596 -2.615 -7.976 1.00 9.17 C ATOM 442 O ALA A 28 -3.472 -3.378 -8.357 1.00 11.45 O ATOM 443 CB ALA A 28 -1.871 -0.662 -9.319 1.00 7.68 C ATOM 0 H ALA A 28 -1.764 0.466 -7.202 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.801 -1.020 -8.393 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.078 -1.256 -10.209 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.086 0.387 -9.525 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.821 -0.770 -9.046 1.00 7.68 H new ATOM 449 N LYS A 29 -1.471 -3.050 -7.402 1.00 8.96 N ATOM 450 CA LYS A 29 -1.141 -4.443 -7.135 1.00 7.90 C ATOM 451 C LYS A 29 -2.098 -5.082 -6.146 1.00 6.92 C ATOM 452 O LYS A 29 -2.338 -6.287 -6.192 1.00 6.87 O ATOM 453 CB LYS A 29 0.327 -4.616 -6.656 1.00 10.28 C ATOM 454 CG LYS A 29 1.002 -6.050 -6.731 1.00 14.94 C ATOM 455 CD LYS A 29 1.734 -6.236 -8.073 1.00 19.69 C ATOM 456 CE LYS A 29 2.266 -7.622 -8.404 1.00 22.63 C ATOM 457 NZ LYS A 29 2.735 -7.635 -9.820 1.00 24.98 N ATOM 0 H LYS A 29 -0.737 -2.409 -7.100 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.248 -4.963 -8.087 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.945 -3.932 -7.238 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.375 -4.285 -5.619 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.706 -6.170 -5.907 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.241 -6.822 -6.616 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.052 -5.940 -8.870 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.573 -5.541 -8.096 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.085 -7.881 -7.733 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.486 -8.370 -8.258 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.101 -8.580 -10.056 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.941 -7.404 -10.451 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.490 -6.931 -9.942 1.00 24.98 H new ATOM 471 N ILE A 30 -2.642 -4.325 -5.185 1.00 4.57 N ATOM 472 CA ILE A 30 -3.670 -4.751 -4.285 1.00 5.58 C ATOM 473 C ILE A 30 -5.013 -4.758 -5.011 1.00 7.26 C ATOM 474 O ILE A 30 -5.868 -5.609 -4.690 1.00 9.46 O ATOM 475 CB ILE A 30 -3.769 -3.825 -3.057 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.460 -3.921 -2.287 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.952 -4.085 -2.091 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.357 -2.887 -1.195 1.00 2.00 C ATOM 0 H ILE A 30 -2.351 -3.361 -5.024 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.417 -5.754 -3.940 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.962 -2.829 -3.455 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.371 -4.916 -1.851 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.626 -3.800 -2.978 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.914 -3.371 -1.268 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.893 -3.969 -2.629 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.883 -5.098 -1.695 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.405 -2.999 -0.677 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.418 -1.890 -1.631 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.174 -3.023 -0.487 1.00 2.00 H new ATOM 490 N GLN A 31 -5.339 -3.884 -5.996 1.00 7.06 N ATOM 491 CA GLN A 31 -6.647 -3.905 -6.652 1.00 8.67 C ATOM 492 C GLN A 31 -6.771 -5.170 -7.529 1.00 10.90 C ATOM 493 O GLN A 31 -7.791 -5.775 -7.609 1.00 9.63 O ATOM 494 CB GLN A 31 -6.714 -2.688 -7.651 1.00 9.12 C ATOM 495 CG GLN A 31 -7.811 -2.754 -8.717 1.00 10.76 C ATOM 496 CD GLN A 31 -8.077 -1.434 -9.408 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.126 -0.841 -9.210 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.127 -0.933 -10.211 1.00 14.76 N ATOM 0 H GLN A 31 -4.708 -3.162 -6.344 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.426 -3.872 -5.890 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.853 -1.775 -7.072 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.751 -2.603 -8.154 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.532 -3.495 -9.466 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.734 -3.102 -8.253 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.260 -1.449 -10.359 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.272 -0.036 -10.674 1.00 14.76 H new ATOM 507 N ASP A 32 -5.640 -5.554 -8.113 1.00 10.93 N ATOM 508 CA ASP A 32 -5.441 -6.813 -8.796 1.00 14.01 C ATOM 509 C ASP A 32 -5.749 -8.040 -7.897 1.00 14.04 C ATOM 510 O ASP A 32 -6.312 -9.022 -8.404 1.00 13.39 O ATOM 511 CB ASP A 32 -4.016 -6.891 -9.416 1.00 18.01 C ATOM 512 CG ASP A 32 -3.767 -8.147 -10.128 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.406 -8.389 -11.154 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.952 -8.954 -9.661 1.00 26.29 O ATOM 0 H ASP A 32 -4.806 -4.966 -8.119 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.164 -6.850 -9.611 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.880 -6.057 -10.104 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.275 -6.776 -8.625 1.00 18.01 H new ATOM 519 N LYS A 33 -5.304 -8.046 -6.618 1.00 14.22 N ATOM 520 CA LYS A 33 -5.590 -9.077 -5.618 1.00 14.00 C ATOM 521 C LYS A 33 -6.993 -9.095 -5.006 1.00 12.37 C ATOM 522 O LYS A 33 -7.683 -10.126 -4.986 1.00 12.17 O ATOM 523 CB LYS A 33 -4.590 -9.073 -4.484 1.00 18.62 C ATOM 524 CG LYS A 33 -3.231 -9.594 -5.046 1.00 24.00 C ATOM 525 CD LYS A 33 -2.334 -10.045 -3.873 1.00 27.61 C ATOM 526 CE LYS A 33 -1.023 -10.801 -4.180 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.212 -12.177 -4.744 1.00 30.06 N ATOM 0 H LYS A 33 -4.714 -7.300 -6.250 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.512 -9.979 -6.224 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.476 -8.068 -4.079 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.935 -9.708 -3.668 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.402 -10.426 -5.729 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.735 -8.809 -5.617 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.074 -9.157 -3.297 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.936 -10.681 -3.224 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.436 -10.212 -4.884 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.439 -10.876 -3.263 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.283 -12.611 -4.920 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.744 -12.760 -4.066 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.740 -12.116 -5.638 1.00 30.06 H new ATOM 541 N GLU A 34 -7.418 -7.932 -4.517 1.00 10.11 N ATOM 542 CA GLU A 34 -8.557 -7.719 -3.684 1.00 10.07 C ATOM 543 C GLU A 34 -9.719 -6.969 -4.323 1.00 9.32 C ATOM 544 O GLU A 34 -10.809 -6.909 -3.772 1.00 11.61 O ATOM 545 CB GLU A 34 -8.104 -7.167 -2.311 1.00 14.77 C ATOM 546 CG GLU A 34 -7.078 -8.110 -1.547 1.00 18.75 C ATOM 547 CD GLU A 34 -7.772 -9.459 -1.052 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.938 -9.335 -0.548 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.248 -10.553 -1.230 1.00 21.95 O ATOM 0 H GLU A 34 -6.926 -7.062 -4.719 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.015 -8.695 -3.522 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.645 -6.189 -2.457 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.982 -7.017 -1.683 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.244 -8.351 -2.207 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.664 -7.578 -0.690 1.00 18.75 H new ATOM 556 N GLY A 35 -9.489 -6.255 -5.415 1.00 7.22 N ATOM 557 CA GLY A 35 -10.451 -5.542 -6.261 1.00 6.29 C ATOM 558 C GLY A 35 -10.837 -4.131 -5.694 1.00 6.93 C ATOM 559 O GLY A 35 -11.584 -3.513 -6.414 1.00 7.41 O ATOM 0 H GLY A 35 -8.538 -6.146 -5.769 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.031 -5.424 -7.260 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.353 -6.145 -6.364 1.00 6.29 H new ATOM 563 N ILE A 36 -10.320 -3.607 -4.567 1.00 5.86 N ATOM 564 CA ILE A 36 -10.577 -2.232 -4.160 1.00 6.07 C ATOM 565 C ILE A 36 -9.979 -1.165 -5.150 1.00 6.36 C ATOM 566 O ILE A 36 -8.793 -1.186 -5.457 1.00 6.18 O ATOM 567 CB ILE A 36 -10.029 -2.093 -2.714 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.462 -3.283 -1.812 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.506 -0.763 -2.095 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.696 -3.289 -0.468 1.00 9.49 C ATOM 0 H ILE A 36 -9.720 -4.126 -3.926 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.647 -2.025 -4.187 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.941 -2.101 -2.772 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.533 -3.224 -1.620 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.284 -4.221 -2.337 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.117 -0.674 -1.081 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.143 0.070 -2.698 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.596 -0.744 -2.069 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.026 -4.135 0.135 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.626 -3.375 -0.659 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.895 -2.361 0.069 1.00 9.49 H new ATOM 582 N PRO A 37 -10.765 -0.198 -5.601 1.00 8.65 N ATOM 583 CA PRO A 37 -10.257 0.998 -6.288 1.00 9.18 C ATOM 584 C PRO A 37 -9.106 1.746 -5.601 1.00 9.85 C ATOM 585 O PRO A 37 -9.359 1.942 -4.439 1.00 8.51 O ATOM 586 CB PRO A 37 -11.515 1.913 -6.301 1.00 11.42 C ATOM 587 CG PRO A 37 -12.699 1.030 -6.236 1.00 9.27 C ATOM 588 CD PRO A 37 -12.195 -0.157 -5.419 1.00 8.33 C ATOM 0 HA PRO A 37 -9.828 0.720 -7.251 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.500 2.599 -5.454 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.538 2.522 -7.205 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.544 1.522 -5.754 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.031 0.725 -7.229 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.449 -0.040 -4.366 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.656 -1.085 -5.757 1.00 8.33 H new ATOM 596 N PRO A 38 -7.974 2.157 -6.225 1.00 8.71 N ATOM 597 CA PRO A 38 -6.877 2.803 -5.570 1.00 9.08 C ATOM 598 C PRO A 38 -7.105 4.119 -4.820 1.00 9.28 C ATOM 599 O PRO A 38 -6.395 4.466 -3.867 1.00 6.50 O ATOM 600 CB PRO A 38 -5.753 3.052 -6.668 1.00 10.31 C ATOM 601 CG PRO A 38 -6.338 2.462 -7.989 1.00 10.81 C ATOM 602 CD PRO A 38 -7.673 1.792 -7.595 1.00 12.00 C ATOM 0 HA PRO A 38 -6.622 2.113 -4.766 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.534 4.114 -6.774 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.820 2.559 -6.396 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.497 3.245 -8.730 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.653 1.739 -8.431 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.473 2.118 -8.260 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.598 0.709 -7.693 1.00 12.00 H new ATOM 610 N ASP A 39 -8.130 4.940 -5.225 1.00 11.20 N ATOM 611 CA ASP A 39 -8.574 6.134 -4.543 1.00 14.96 C ATOM 612 C ASP A 39 -9.297 5.737 -3.290 1.00 13.99 C ATOM 613 O ASP A 39 -9.220 6.462 -2.296 1.00 13.75 O ATOM 614 CB ASP A 39 -9.426 6.989 -5.537 1.00 24.16 C ATOM 615 CG ASP A 39 -9.423 8.521 -5.238 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.205 8.950 -4.382 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.676 9.289 -5.867 1.00 34.22 O ATOM 0 H ASP A 39 -8.668 4.752 -6.071 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.742 6.763 -4.228 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.052 6.828 -6.548 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.455 6.629 -5.517 1.00 24.16 H new ATOM 622 N GLN A 40 -10.109 4.630 -3.206 1.00 11.60 N ATOM 623 CA GLN A 40 -10.670 4.207 -1.976 1.00 10.76 C ATOM 624 C GLN A 40 -9.544 3.673 -1.018 1.00 8.01 C ATOM 625 O GLN A 40 -9.514 4.074 0.169 1.00 8.96 O ATOM 626 CB GLN A 40 -11.732 3.155 -2.146 1.00 11.14 C ATOM 627 CG GLN A 40 -13.053 3.742 -2.737 1.00 14.85 C ATOM 628 CD GLN A 40 -14.118 2.689 -2.683 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.076 1.767 -1.869 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.078 2.932 -3.571 1.00 18.16 N ATOM 0 H GLN A 40 -10.360 4.047 -4.005 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.150 5.081 -1.537 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.360 2.368 -2.802 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.941 2.693 -1.181 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.362 4.620 -2.170 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.895 4.066 -3.766 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.002 3.733 -4.198 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.890 2.318 -3.625 1.00 18.16 H new ATOM 639 N GLN A 41 -8.583 2.893 -1.519 1.00 6.52 N ATOM 640 CA GLN A 41 -7.484 2.385 -0.677 1.00 3.87 C ATOM 641 C GLN A 41 -6.575 3.422 -0.002 1.00 4.79 C ATOM 642 O GLN A 41 -6.022 4.355 -0.668 1.00 6.34 O ATOM 643 CB GLN A 41 -6.595 1.444 -1.591 1.00 4.20 C ATOM 644 CG GLN A 41 -7.130 0.058 -2.034 1.00 3.20 C ATOM 645 CD GLN A 41 -6.063 -0.649 -2.844 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.930 -0.649 -2.387 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.365 -1.200 -3.966 1.00 7.13 N ATOM 0 H GLN A 41 -8.538 2.598 -2.494 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.966 1.881 0.161 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.357 2.003 -2.496 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.656 1.275 -1.064 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.397 -0.538 -1.162 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.036 0.177 -2.628 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.327 -1.173 -4.305 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.643 -1.664 -4.517 1.00 7.13 H new ATOM 656 N ARG A 42 -6.269 3.243 1.296 1.00 5.73 N ATOM 657 CA ARG A 42 -5.127 3.960 1.945 1.00 6.97 C ATOM 658 C ARG A 42 -4.168 3.072 2.707 1.00 7.15 C ATOM 659 O ARG A 42 -4.477 2.318 3.582 1.00 7.33 O ATOM 660 CB ARG A 42 -5.652 4.953 2.934 1.00 13.23 C ATOM 661 CG ARG A 42 -5.814 6.351 2.344 1.00 21.27 C ATOM 662 CD ARG A 42 -5.972 7.449 3.424 1.00 26.14 C ATOM 663 NE ARG A 42 -5.592 8.822 2.830 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.104 9.979 3.310 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.230 10.020 4.040 1.00 35.30 N ATOM 666 NH2 ARG A 42 -5.708 11.164 2.809 1.00 36.39 N ATOM 0 H ARG A 42 -6.782 2.619 1.919 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.583 4.416 1.117 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.616 4.609 3.310 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.976 5.001 3.787 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.947 6.581 1.725 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.686 6.364 1.690 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.000 7.471 3.787 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.337 7.224 4.281 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.934 8.858 2.051 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.732 9.158 4.251 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.583 10.913 4.383 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.016 11.196 2.060 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.100 12.030 3.178 1.00 36.39 H new ATOM 680 N LEU A 43 -2.873 3.054 2.368 1.00 4.65 N ATOM 681 CA LEU A 43 -1.860 2.310 2.990 1.00 3.51 C ATOM 682 C LEU A 43 -1.189 3.023 4.176 1.00 5.56 C ATOM 683 O LEU A 43 -1.023 4.216 4.183 1.00 4.19 O ATOM 684 CB LEU A 43 -0.810 1.905 1.917 1.00 3.74 C ATOM 685 CG LEU A 43 -1.349 0.835 0.867 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.338 0.568 -0.263 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.701 -0.452 1.661 1.00 6.41 C ATOM 0 H LEU A 43 -2.518 3.612 1.591 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.328 1.427 3.426 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.489 2.798 1.380 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.070 1.500 2.417 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.237 1.217 0.363 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.750 -0.168 -0.954 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.137 1.496 -0.799 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.590 0.187 0.162 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.075 -1.212 0.975 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.809 -0.825 2.164 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.467 -0.224 2.403 1.00 6.41 H new ATOM 699 N ILE A 44 -0.732 2.230 5.152 1.00 4.58 N ATOM 700 CA ILE A 44 -0.133 2.722 6.352 1.00 5.55 C ATOM 701 C ILE A 44 1.213 2.075 6.503 1.00 5.46 C ATOM 702 O ILE A 44 1.314 0.840 6.360 1.00 6.04 O ATOM 703 CB ILE A 44 -0.920 2.357 7.604 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.319 2.827 7.506 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.128 2.881 8.861 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.405 4.353 7.276 1.00 13.90 C ATOM 0 H ILE A 44 -0.779 1.212 5.108 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.091 3.808 6.264 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.009 1.276 7.714 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.819 2.309 6.687 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.853 2.568 8.420 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.677 2.629 9.768 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.857 2.415 8.891 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.015 3.963 8.795 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.451 4.653 7.210 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.930 4.874 8.107 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.895 4.610 6.348 1.00 13.90 H new ATOM 718 N PHE A 45 2.323 2.845 6.795 1.00 6.75 N ATOM 719 CA PHE A 45 3.610 2.353 7.298 1.00 4.70 C ATOM 720 C PHE A 45 4.156 3.403 8.225 1.00 6.34 C ATOM 721 O PHE A 45 4.060 4.622 8.026 1.00 5.45 O ATOM 722 CB PHE A 45 4.580 2.053 6.126 1.00 5.51 C ATOM 723 CG PHE A 45 5.918 1.547 6.651 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.086 0.492 7.572 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.032 2.410 6.418 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.296 0.188 8.171 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.263 2.126 6.964 1.00 6.64 C ATOM 728 CZ PHE A 45 8.388 1.026 7.891 1.00 6.84 C ATOM 0 H PHE A 45 2.318 3.858 6.673 1.00 6.75 H new ATOM 0 HA PHE A 45 3.486 1.414 7.837 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.139 1.309 5.463 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.734 2.955 5.534 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.225 -0.110 7.823 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.907 3.293 5.808 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.397 -0.662 8.829 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.126 2.720 6.702 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.336 0.845 8.376 1.00 6.84 H new ATOM 738 N ALA A 46 4.728 2.878 9.358 1.00 6.53 N ATOM 739 CA ALA A 46 5.233 3.550 10.541 1.00 7.15 C ATOM 740 C ALA A 46 4.426 4.720 11.100 1.00 9.00 C ATOM 741 O ALA A 46 4.789 5.877 11.172 1.00 11.15 O ATOM 742 CB ALA A 46 6.692 3.816 10.331 1.00 8.99 C ATOM 0 H ALA A 46 4.845 1.868 9.444 1.00 6.53 H new ATOM 0 HA ALA A 46 5.094 2.867 11.379 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.099 4.322 11.206 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.216 2.872 10.181 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.824 4.448 9.453 1.00 8.99 H new ATOM 748 N GLY A 47 3.109 4.398 11.209 1.00 9.35 N ATOM 749 CA GLY A 47 2.068 5.283 11.675 1.00 11.68 C ATOM 750 C GLY A 47 1.525 6.410 10.766 1.00 11.14 C ATOM 751 O GLY A 47 0.690 7.192 11.135 1.00 13.93 O ATOM 0 H GLY A 47 2.756 3.474 10.959 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.219 4.660 11.955 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.432 5.755 12.588 1.00 11.68 H new ATOM 755 N LYS A 48 2.046 6.480 9.552 1.00 10.47 N ATOM 756 CA LYS A 48 1.719 7.511 8.592 1.00 8.82 C ATOM 757 C LYS A 48 1.010 6.927 7.366 1.00 7.68 C ATOM 758 O LYS A 48 1.323 5.859 6.852 1.00 6.47 O ATOM 759 CB LYS A 48 2.968 8.224 8.105 1.00 9.74 C ATOM 760 CG LYS A 48 3.615 8.901 9.315 1.00 14.14 C ATOM 761 CD LYS A 48 5.064 9.439 9.189 1.00 16.32 C ATOM 762 CE LYS A 48 6.112 8.389 8.707 1.00 20.04 C ATOM 763 NZ LYS A 48 7.473 8.952 8.730 1.00 23.92 N ATOM 0 H LYS A 48 2.724 5.803 9.202 1.00 10.47 H new ATOM 0 HA LYS A 48 1.061 8.212 9.105 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.659 7.516 7.647 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.716 8.961 7.343 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.978 9.736 9.605 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.599 8.188 10.139 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.066 10.279 8.494 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.378 9.827 10.158 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.069 7.507 9.346 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.867 8.063 7.696 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.151 8.234 8.405 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.517 9.779 8.101 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.713 9.241 9.700 1.00 23.92 H new ATOM 777 N GLN A 49 0.000 7.717 6.939 1.00 8.89 N ATOM 778 CA GLN A 49 -0.835 7.488 5.765 1.00 7.18 C ATOM 779 C GLN A 49 0.007 7.623 4.524 1.00 8.23 C ATOM 780 O GLN A 49 0.462 8.734 4.214 1.00 9.70 O ATOM 781 CB GLN A 49 -2.077 8.491 5.746 1.00 11.67 C ATOM 782 CG GLN A 49 -3.028 8.185 6.878 1.00 15.82 C ATOM 783 CD GLN A 49 -4.204 9.132 6.817 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.226 8.676 6.277 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.059 10.437 7.186 1.00 20.67 N ATOM 0 H GLN A 49 -0.258 8.570 7.436 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.243 6.478 5.801 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.722 9.518 5.830 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.600 8.411 4.793 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.374 7.154 6.808 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.516 8.285 7.835 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.193 10.749 7.626 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.816 11.101 7.022 1.00 20.67 H new ATOM 794 N LEU A 50 0.224 6.587 3.686 1.00 6.51 N ATOM 795 CA LEU A 50 1.110 6.673 2.558 1.00 7.41 C ATOM 796 C LEU A 50 0.493 7.390 1.400 1.00 8.27 C ATOM 797 O LEU A 50 -0.762 7.323 1.228 1.00 8.34 O ATOM 798 CB LEU A 50 1.778 5.242 2.169 1.00 7.13 C ATOM 799 CG LEU A 50 2.446 4.439 3.278 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.850 3.005 2.826 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.576 5.209 3.977 1.00 9.11 C ATOM 0 H LEU A 50 -0.222 5.676 3.793 1.00 6.51 H new ATOM 0 HA LEU A 50 1.948 7.297 2.868 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.000 4.619 1.728 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.521 5.421 1.392 1.00 7.13 H new ATOM 0 HG LEU A 50 1.687 4.292 4.046 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.321 2.481 3.657 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.961 2.459 2.510 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.551 3.070 1.994 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.013 4.585 4.757 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.344 5.470 3.248 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.175 6.119 4.423 1.00 9.11 H new ATOM 813 N GLU A 51 1.317 8.237 0.722 1.00 9.43 N ATOM 814 CA GLU A 51 0.877 9.186 -0.272 1.00 11.90 C ATOM 815 C GLU A 51 1.350 8.759 -1.683 1.00 11.49 C ATOM 816 O GLU A 51 2.499 8.493 -1.845 1.00 9.88 O ATOM 817 CB GLU A 51 1.378 10.610 0.056 1.00 16.56 C ATOM 818 CG GLU A 51 0.987 11.768 -0.831 1.00 26.06 C ATOM 819 CD GLU A 51 1.325 13.185 -0.429 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.496 13.488 -0.260 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.414 14.103 -0.352 1.00 33.44 O ATOM 0 H GLU A 51 2.325 8.258 0.875 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.213 9.200 -0.260 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.044 10.847 1.066 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.467 10.573 0.081 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.439 11.593 -1.807 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.093 11.720 -0.966 1.00 26.06 H new ATOM 828 N ASP A 52 0.406 8.796 -2.637 1.00 12.71 N ATOM 829 CA ASP A 52 0.482 8.222 -4.010 1.00 16.56 C ATOM 830 C ASP A 52 1.786 8.327 -4.830 1.00 15.83 C ATOM 831 O ASP A 52 2.265 7.269 -5.159 1.00 17.21 O ATOM 832 CB ASP A 52 -0.641 8.943 -4.836 1.00 21.05 C ATOM 833 CG ASP A 52 -1.957 8.661 -4.184 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.174 9.095 -3.017 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.790 7.914 -4.809 1.00 28.37 O ATOM 0 H ASP A 52 -0.490 9.254 -2.470 1.00 12.71 H new ATOM 0 HA ASP A 52 0.390 7.148 -3.850 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.457 10.017 -4.871 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.643 8.586 -5.866 1.00 21.05 H new ATOM 840 N GLY A 53 2.302 9.524 -5.114 1.00 15.00 N ATOM 841 CA GLY A 53 3.387 9.836 -5.989 1.00 11.77 C ATOM 842 C GLY A 53 4.677 9.616 -5.343 1.00 11.10 C ATOM 843 O GLY A 53 5.724 9.930 -5.918 1.00 11.25 O ATOM 0 H GLY A 53 1.920 10.367 -4.686 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.319 9.222 -6.887 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.311 10.876 -6.307 1.00 11.77 H new ATOM 847 N ARG A 54 4.694 9.124 -4.070 1.00 8.53 N ATOM 848 CA ARG A 54 5.974 8.987 -3.377 1.00 9.05 C ATOM 849 C ARG A 54 6.523 7.539 -3.578 1.00 8.96 C ATOM 850 O ARG A 54 5.762 6.588 -3.591 1.00 11.60 O ATOM 851 CB ARG A 54 5.800 9.254 -1.854 1.00 7.97 C ATOM 852 CG ARG A 54 5.172 10.551 -1.424 1.00 9.62 C ATOM 853 CD ARG A 54 5.669 11.001 -0.043 1.00 12.20 C ATOM 854 NE ARG A 54 4.789 12.114 0.456 1.00 18.23 N ATOM 855 CZ ARG A 54 5.102 12.724 1.598 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.133 12.409 2.378 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.330 13.688 2.067 1.00 23.38 N ATOM 0 H ARG A 54 3.872 8.834 -3.540 1.00 8.53 H new ATOM 0 HA ARG A 54 6.673 9.714 -3.790 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.202 8.442 -1.440 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.785 9.192 -1.391 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.396 11.324 -2.159 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.088 10.439 -1.400 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.650 10.164 0.655 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.703 11.339 -0.107 1.00 12.20 H new ATOM 0 HE ARG A 54 3.964 12.398 -0.073 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.757 11.646 2.115 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.300 12.931 3.239 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.493 13.966 1.554 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.571 14.154 2.942 1.00 23.38 H new ATOM 871 N THR A 55 7.825 7.356 -3.658 1.00 9.05 N ATOM 872 CA THR A 55 8.458 6.052 -3.916 1.00 9.03 C ATOM 873 C THR A 55 8.587 5.261 -2.569 1.00 8.15 C ATOM 874 O THR A 55 8.616 5.832 -1.480 1.00 5.91 O ATOM 875 CB THR A 55 9.796 5.987 -4.687 1.00 11.15 C ATOM 876 OG1 THR A 55 10.805 6.846 -4.073 1.00 11.95 O ATOM 877 CG2 THR A 55 9.586 6.484 -6.148 1.00 11.71 C ATOM 0 H THR A 55 8.497 8.115 -3.545 1.00 9.05 H new ATOM 0 HA THR A 55 7.768 5.601 -4.629 1.00 9.03 H new ATOM 0 HB THR A 55 10.134 4.951 -4.666 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.572 6.303 -3.796 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.532 6.437 -6.688 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.852 5.851 -6.646 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.227 7.513 -6.134 1.00 11.71 H new ATOM 885 N LEU A 56 8.740 3.939 -2.566 1.00 6.91 N ATOM 886 CA LEU A 56 9.036 3.090 -1.409 1.00 8.29 C ATOM 887 C LEU A 56 10.395 3.423 -0.769 1.00 8.05 C ATOM 888 O LEU A 56 10.437 3.347 0.447 1.00 10.17 O ATOM 889 CB LEU A 56 9.063 1.604 -1.926 1.00 6.60 C ATOM 890 CG LEU A 56 7.665 0.969 -2.295 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.687 -0.257 -3.190 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.891 0.726 -1.003 1.00 8.64 C ATOM 0 H LEU A 56 8.656 3.395 -3.425 1.00 6.91 H new ATOM 0 HA LEU A 56 8.276 3.252 -0.645 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.703 1.559 -2.807 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.530 0.984 -1.161 1.00 6.60 H new ATOM 0 HG LEU A 56 7.159 1.698 -2.928 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.666 -0.596 -3.368 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.157 -0.005 -4.141 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.253 -1.052 -2.705 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.921 0.287 -1.237 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.453 0.044 -0.365 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.745 1.673 -0.483 1.00 8.64 H new ATOM 904 N SER A 57 11.454 3.798 -1.527 1.00 8.92 N ATOM 905 CA SER A 57 12.692 4.353 -1.015 1.00 9.00 C ATOM 906 C SER A 57 12.521 5.689 -0.228 1.00 9.44 C ATOM 907 O SER A 57 13.112 5.848 0.823 1.00 10.91 O ATOM 908 CB SER A 57 13.708 4.562 -2.109 1.00 10.32 C ATOM 909 OG SER A 57 13.263 5.562 -3.018 1.00 13.59 O ATOM 0 H SER A 57 11.451 3.712 -2.543 1.00 8.92 H new ATOM 0 HA SER A 57 13.047 3.601 -0.310 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.663 4.856 -1.675 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.875 3.626 -2.642 1.00 10.32 H new ATOM 0 HG SER A 57 13.934 5.687 -3.721 1.00 13.59 H new ATOM 915 N ASP A 58 11.586 6.628 -0.590 1.00 9.11 N ATOM 916 CA ASP A 58 11.331 7.918 0.094 1.00 7.91 C ATOM 917 C ASP A 58 10.592 7.716 1.408 1.00 9.12 C ATOM 918 O ASP A 58 10.573 8.590 2.246 1.00 8.61 O ATOM 919 CB ASP A 58 10.464 8.738 -0.899 1.00 8.41 C ATOM 920 CG ASP A 58 10.325 10.212 -0.588 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.341 10.979 -0.675 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.255 10.790 -0.378 1.00 10.05 O ATOM 0 H ASP A 58 10.975 6.491 -1.395 1.00 9.11 H new ATOM 0 HA ASP A 58 12.262 8.425 0.347 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.891 8.635 -1.896 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.468 8.297 -0.932 1.00 8.41 H new ATOM 927 N TYR A 59 9.968 6.553 1.603 1.00 7.97 N ATOM 928 CA TYR A 59 9.274 6.182 2.806 1.00 8.45 C ATOM 929 C TYR A 59 10.151 5.282 3.606 1.00 10.98 C ATOM 930 O TYR A 59 9.919 5.133 4.817 1.00 12.95 O ATOM 931 CB TYR A 59 7.921 5.539 2.469 1.00 7.94 C ATOM 932 CG TYR A 59 6.804 6.514 2.419 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.446 7.193 3.568 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.114 6.739 1.201 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.326 8.095 3.571 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.977 7.618 1.123 1.00 6.52 C ATOM 937 CZ TYR A 59 4.642 8.312 2.304 1.00 6.76 C ATOM 938 OH TYR A 59 3.568 9.186 2.251 1.00 7.63 O ATOM 0 H TYR A 59 9.940 5.825 0.889 1.00 7.97 H new ATOM 0 HA TYR A 59 9.054 7.065 3.406 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.996 5.034 1.506 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.694 4.775 3.213 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.014 7.045 4.474 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.451 6.237 0.306 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.006 8.591 4.475 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.412 7.739 0.211 1.00 6.52 H new ATOM 0 HH TYR A 59 3.866 10.049 1.894 1.00 7.63 H new ATOM 948 N ASN A 60 11.291 4.727 3.075 1.00 12.38 N ATOM 949 CA ASN A 60 12.230 3.855 3.736 1.00 13.94 C ATOM 950 C ASN A 60 11.667 2.438 4.024 1.00 14.16 C ATOM 951 O ASN A 60 11.988 1.863 5.072 1.00 14.26 O ATOM 952 CB ASN A 60 12.806 4.503 5.037 1.00 19.23 C ATOM 953 CG ASN A 60 13.634 5.733 4.590 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.263 6.859 4.739 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.802 5.443 4.009 1.00 24.09 N ATOM 0 H ASN A 60 11.564 4.911 2.109 1.00 12.38 H new ATOM 0 HA ASN A 60 13.048 3.721 3.028 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.002 4.801 5.710 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.430 3.793 5.580 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.407 6.194 3.677 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.089 4.470 3.897 1.00 24.09 H new ATOM 962 N ILE A 61 10.944 1.908 3.030 1.00 11.08 N ATOM 963 CA ILE A 61 10.405 0.532 3.155 1.00 11.78 C ATOM 964 C ILE A 61 11.388 -0.480 2.640 1.00 13.74 C ATOM 965 O ILE A 61 11.776 -0.448 1.456 1.00 14.60 O ATOM 966 CB ILE A 61 9.003 0.390 2.499 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.895 1.272 3.216 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.504 -1.098 2.550 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.680 1.672 2.352 1.00 11.42 C ATOM 0 H ILE A 61 10.720 2.384 2.156 1.00 11.08 H new ATOM 0 HA ILE A 61 10.260 0.329 4.216 1.00 11.78 H new ATOM 0 HB ILE A 61 9.132 0.731 1.472 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.532 0.725 4.086 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.367 2.182 3.586 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.521 -1.168 2.084 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.206 -1.736 2.013 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.438 -1.424 3.588 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.992 2.272 2.948 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.019 2.253 1.494 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.170 0.774 2.003 1.00 11.42 H new ATOM 981 N GLN A 62 11.722 -1.383 3.570 1.00 13.97 N ATOM 982 CA GLN A 62 12.596 -2.540 3.365 1.00 15.52 C ATOM 983 C GLN A 62 11.898 -3.867 2.893 1.00 13.94 C ATOM 984 O GLN A 62 10.698 -4.062 2.935 1.00 12.15 O ATOM 985 CB GLN A 62 13.409 -2.821 4.666 1.00 19.53 C ATOM 986 CG GLN A 62 13.957 -1.527 5.361 1.00 26.38 C ATOM 987 CD GLN A 62 14.965 -0.861 4.397 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.961 -1.432 3.969 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.669 0.409 4.048 1.00 32.71 N ATOM 0 H GLN A 62 11.374 -1.323 4.527 1.00 13.97 H new ATOM 0 HA GLN A 62 13.238 -2.251 2.533 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.775 -3.360 5.370 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.247 -3.476 4.426 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.140 -0.843 5.592 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.440 -1.777 6.306 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.833 0.858 4.420 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.282 0.919 3.412 1.00 32.71 H new ATOM 998 N LYS A 63 12.603 -4.787 2.290 1.00 11.73 N ATOM 999 CA LYS A 63 12.154 -6.131 2.028 1.00 11.97 C ATOM 1000 C LYS A 63 11.592 -6.891 3.268 1.00 10.41 C ATOM 1001 O LYS A 63 12.160 -7.028 4.360 1.00 9.59 O ATOM 1002 CB LYS A 63 13.176 -6.907 1.310 1.00 13.73 C ATOM 1003 CG LYS A 63 14.333 -7.315 2.191 1.00 16.98 C ATOM 1004 CD LYS A 63 15.663 -7.669 1.457 1.00 20.19 C ATOM 1005 CE LYS A 63 16.670 -8.250 2.472 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.817 -8.890 1.766 1.00 25.97 N ATOM 0 H LYS A 63 13.550 -4.613 1.952 1.00 11.73 H new ATOM 0 HA LYS A 63 11.289 -6.021 1.374 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.716 -7.800 0.887 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.553 -6.316 0.475 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.533 -6.504 2.892 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.027 -8.178 2.782 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.472 -8.391 0.663 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.079 -6.779 0.985 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.035 -7.457 3.125 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.172 -8.983 3.107 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.484 -9.275 2.465 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.466 -9.660 1.161 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.302 -8.182 1.179 1.00 25.97 H new ATOM 1020 N GLU A 64 10.365 -7.402 3.138 1.00 10.04 N ATOM 1021 CA GLU A 64 9.551 -8.130 4.049 1.00 10.94 C ATOM 1022 C GLU A 64 8.946 -7.219 5.100 1.00 9.74 C ATOM 1023 O GLU A 64 8.445 -7.669 6.155 1.00 9.42 O ATOM 1024 CB GLU A 64 10.191 -9.366 4.728 1.00 18.31 C ATOM 1025 CG GLU A 64 10.700 -10.479 3.756 1.00 24.16 C ATOM 1026 CD GLU A 64 11.614 -11.527 4.245 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.852 -11.275 4.220 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.165 -12.679 4.517 1.00 31.72 O ATOM 0 H GLU A 64 9.872 -7.283 2.253 1.00 10.04 H new ATOM 0 HA GLU A 64 8.778 -8.544 3.402 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.029 -9.030 5.339 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.459 -9.806 5.405 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.821 -10.980 3.349 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.196 -9.980 2.924 1.00 24.16 H new ATOM 1035 N SER A 65 8.861 -5.945 4.828 1.00 6.85 N ATOM 1036 CA SER A 65 8.158 -5.003 5.698 1.00 6.90 C ATOM 1037 C SER A 65 6.671 -5.000 5.330 1.00 4.72 C ATOM 1038 O SER A 65 6.264 -5.355 4.233 1.00 3.91 O ATOM 1039 CB SER A 65 8.796 -3.575 5.760 1.00 7.28 C ATOM 1040 OG SER A 65 8.350 -2.798 6.844 1.00 10.56 O ATOM 0 H SER A 65 9.273 -5.517 3.999 1.00 6.85 H new ATOM 0 HA SER A 65 8.264 -5.352 6.725 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.880 -3.674 5.819 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.574 -3.048 4.832 1.00 7.28 H new ATOM 0 HG SER A 65 8.789 -1.922 6.821 1.00 10.56 H new ATOM 1046 N THR A 66 5.828 -4.675 6.305 1.00 4.48 N ATOM 1047 CA THR A 66 4.379 -4.881 6.272 1.00 3.80 C ATOM 1048 C THR A 66 3.758 -3.517 6.321 1.00 4.60 C ATOM 1049 O THR A 66 3.975 -2.710 7.231 1.00 5.33 O ATOM 1050 CB THR A 66 3.880 -5.667 7.470 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.589 -6.873 7.643 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.490 -6.096 7.287 1.00 3.40 C ATOM 0 H THR A 66 6.145 -4.244 7.174 1.00 4.48 H new ATOM 0 HA THR A 66 4.117 -5.445 5.377 1.00 3.80 H new ATOM 0 HB THR A 66 4.004 -4.993 8.317 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.239 -7.349 8.425 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.164 -6.656 8.163 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.853 -5.221 7.158 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.418 -6.730 6.403 1.00 3.40 H new ATOM 1060 N LEU A 67 2.888 -3.358 5.260 1.00 4.17 N ATOM 1061 CA LEU A 67 1.979 -2.217 5.073 1.00 3.85 C ATOM 1062 C LEU A 67 0.604 -2.597 5.655 1.00 3.80 C ATOM 1063 O LEU A 67 0.367 -3.775 5.820 1.00 5.54 O ATOM 1064 CB LEU A 67 1.966 -1.735 3.605 1.00 7.18 C ATOM 1065 CG LEU A 67 3.365 -1.625 3.035 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.175 -1.341 1.555 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.313 -0.571 3.680 1.00 11.66 C ATOM 0 H LEU A 67 2.816 -4.046 4.510 1.00 4.17 H new ATOM 0 HA LEU A 67 2.327 -1.342 5.621 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.381 -2.428 3.000 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.472 -0.765 3.546 1.00 7.18 H new ATOM 0 HG LEU A 67 3.884 -2.558 3.252 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.149 -1.248 1.074 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.620 -2.159 1.096 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.619 -0.411 1.431 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.281 -0.597 3.179 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.877 0.423 3.576 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.446 -0.800 4.737 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.246 -1.659 6.066 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.558 -1.848 6.583 1.00 4.17 C ATOM 1081 C HIS A 68 -2.517 -1.124 5.728 1.00 5.32 C ATOM 1082 O HIS A 68 -2.383 0.039 5.389 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.692 -1.451 8.074 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.532 -2.522 9.048 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.564 -3.296 9.533 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.398 -3.022 9.554 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.999 -4.263 10.305 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.690 -4.098 10.356 1.00 16.30 N ATOM 0 H HIS A 68 0.007 -0.671 6.034 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.783 -2.914 6.559 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.952 -0.680 8.290 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.674 -1.000 8.220 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.593 -2.639 9.361 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.543 -5.052 10.804 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.025 -4.660 10.887 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.658 -1.776 5.341 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.598 -1.225 4.445 1.00 3.97 C ATOM 1098 C LEU A 69 -5.810 -0.719 5.210 1.00 5.07 C ATOM 1099 O LEU A 69 -6.549 -1.420 5.900 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.065 -2.289 3.381 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.133 -1.709 2.429 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.684 -0.558 1.512 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.602 -2.877 1.603 1.00 9.96 C ATOM 0 H LEU A 69 -3.908 -2.707 5.674 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.116 -0.399 3.923 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.206 -2.627 2.802 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.468 -3.163 3.892 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.908 -1.244 3.038 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.522 -0.238 0.893 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.342 0.279 2.120 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.870 -0.899 0.873 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.365 -2.543 0.900 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.759 -3.295 1.052 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.022 -3.641 2.258 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.109 0.544 5.033 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.404 1.226 5.507 1.00 6.26 C ATOM 1117 C VAL A 70 -8.175 1.766 4.362 1.00 9.22 C ATOM 1118 O VAL A 70 -7.783 1.611 3.229 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.346 2.232 6.663 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.639 1.567 7.885 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.430 3.406 6.220 1.00 8.54 C ATOM 0 H VAL A 70 -5.480 1.186 4.551 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.923 0.392 5.979 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.354 2.559 6.920 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.595 2.277 8.711 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.200 0.685 8.195 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.628 1.273 7.604 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.367 4.141 7.022 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.433 3.026 5.998 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.846 3.876 5.329 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.268 2.515 4.574 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.062 3.142 3.550 1.00 16.06 C ATOM 1133 C LEU A 71 -10.113 4.622 3.722 1.00 18.09 C ATOM 1134 O LEU A 71 -10.126 5.119 4.887 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.522 2.598 3.485 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.685 1.141 3.062 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.134 0.624 3.088 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.141 0.897 1.621 1.00 19.57 C ATOM 0 H LEU A 71 -9.624 2.698 5.512 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.562 2.894 2.614 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.977 2.721 4.468 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.088 3.220 2.792 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.109 0.593 3.808 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.154 -0.419 2.773 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.531 0.705 4.100 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.745 1.220 2.410 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.274 -0.152 1.355 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.687 1.523 0.915 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.081 1.149 1.585 1.00 19.57 H new