USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 25 ASN : amide:sc= 0.872 K(o=1.6,f=-2.6) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 152:sc= 0.747 (180deg=-0.0335) USER MOD Set 2.1: A 7 THR OG1 : rot 135:sc= 0.0237 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.364 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 2.43 (180deg=1.58) USER MOD Single : A 2 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.1!) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0318 (180deg=-0.234) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 0.753 (180deg=-0.57!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.831 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.74 (180deg=1.52) USER MOD Single : A 31 GLN : amide:sc= -0.929 X(o=-0.93,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 41 GLN : amide:sc= 0.263 K(o=0.26,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.182 K(o=-0.18,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.304 USER MOD Single : A 60 ASN : amide:sc= -0.0245 X(o=-0.025,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.00526 K(o=0.0053,f=-0.58) USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= 1.29 (180deg=0.788) USER MOD Single : A 65 SER OG : rot -125:sc= 0.158 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=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.424 -7.243 -5.076 1.00 9.67 N ATOM 2 CA MET A 1 11.268 -7.649 -3.694 1.00 10.38 C ATOM 3 C MET A 1 9.812 -7.822 -3.196 1.00 9.62 C ATOM 4 O MET A 1 8.903 -7.484 -3.913 1.00 9.62 O ATOM 5 CB MET A 1 12.030 -6.645 -2.707 1.00 13.77 C ATOM 6 CG MET A 1 11.294 -5.327 -2.333 1.00 16.29 C ATOM 7 SD MET A 1 12.580 -4.319 -1.414 1.00 17.17 S ATOM 8 CE MET A 1 11.368 -3.202 -0.626 1.00 16.11 C ATOM 0 H1 MET A 1 12.322 -6.730 -5.188 1.00 9.67 H new ATOM 0 H2 MET A 1 11.428 -8.085 -5.687 1.00 9.67 H new ATOM 0 H3 MET A 1 10.634 -6.623 -5.347 1.00 9.67 H new ATOM 0 HA MET A 1 11.714 -8.644 -3.674 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.254 -7.181 -1.785 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.985 -6.382 -3.162 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.940 -4.804 -3.221 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.422 -5.522 -1.709 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.892 -2.479 -0.001 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.804 -2.675 -1.396 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.683 -3.785 -0.010 1.00 16.11 H new ATOM 20 N GLN A 2 9.590 -8.394 -1.997 1.00 9.27 N ATOM 21 CA GLN A 2 8.280 -8.575 -1.426 1.00 9.07 C ATOM 22 C GLN A 2 7.973 -7.747 -0.220 1.00 8.72 C ATOM 23 O GLN A 2 8.806 -7.614 0.698 1.00 8.22 O ATOM 24 CB GLN A 2 8.090 -9.991 -0.949 1.00 14.46 C ATOM 25 CG GLN A 2 8.207 -11.108 -1.999 1.00 17.01 C ATOM 26 CD GLN A 2 7.179 -11.160 -3.104 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.043 -10.660 -3.023 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.685 -11.573 -4.288 1.00 19.49 N ATOM 0 H GLN A 2 10.342 -8.743 -1.403 1.00 9.27 H new ATOM 0 HA GLN A 2 7.627 -8.281 -2.248 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.823 -10.185 -0.166 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.105 -10.063 -0.488 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.190 -11.027 -2.463 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.180 -12.063 -1.474 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.619 -11.980 -4.329 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.132 -11.477 -5.140 1.00 19.49 H new ATOM 37 N ILE A 3 6.754 -7.160 -0.184 1.00 5.87 N ATOM 38 CA ILE A 3 6.199 -6.455 1.004 1.00 5.07 C ATOM 39 C ILE A 3 4.928 -7.154 1.448 1.00 4.01 C ATOM 40 O ILE A 3 4.199 -7.694 0.581 1.00 4.61 O ATOM 41 CB ILE A 3 6.042 -4.977 0.857 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.990 -4.675 -0.211 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.458 -4.310 0.746 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.686 -3.198 -0.479 1.00 10.83 C ATOM 0 H ILE A 3 6.120 -7.160 -0.983 1.00 5.87 H new ATOM 0 HA ILE A 3 6.946 -6.527 1.795 1.00 5.07 H new ATOM 0 HB ILE A 3 5.622 -4.494 1.739 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.314 -5.131 -1.147 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.061 -5.167 0.078 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.345 -3.231 0.639 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.034 -4.527 1.646 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.981 -4.708 -0.124 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.925 -3.118 -1.255 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.322 -2.730 0.435 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.594 -2.693 -0.808 1.00 10.83 H new ATOM 56 N PHE A 4 4.588 -7.063 2.698 1.00 4.55 N ATOM 57 CA PHE A 4 3.394 -7.759 3.252 1.00 4.68 C ATOM 58 C PHE A 4 2.459 -6.629 3.674 1.00 5.30 C ATOM 59 O PHE A 4 2.683 -5.747 4.495 1.00 5.58 O ATOM 60 CB PHE A 4 3.772 -8.518 4.543 1.00 4.83 C ATOM 61 CG PHE A 4 4.578 -9.632 4.143 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.887 -10.704 3.459 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.958 -9.798 4.407 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.670 -11.831 3.053 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.714 -10.879 3.946 1.00 10.61 C ATOM 66 CZ PHE A 4 6.059 -11.911 3.284 1.00 8.90 C ATOM 0 H PHE A 4 5.106 -6.515 3.385 1.00 4.55 H new ATOM 0 HA PHE A 4 2.971 -8.458 2.530 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.320 -7.870 5.227 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.879 -8.855 5.069 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.826 -10.656 3.263 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.456 -9.045 5.000 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.179 -12.651 2.551 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.782 -10.912 4.100 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.614 -12.774 2.947 1.00 8.90 H new ATOM 76 N VAL A 5 1.234 -6.747 3.143 1.00 4.44 N ATOM 77 CA VAL A 5 0.203 -5.727 3.428 1.00 3.87 C ATOM 78 C VAL A 5 -0.903 -6.432 4.258 1.00 4.93 C ATOM 79 O VAL A 5 -1.456 -7.481 3.879 1.00 6.84 O ATOM 80 CB VAL A 5 -0.383 -5.212 2.141 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.788 -4.638 2.312 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.507 -4.248 1.474 1.00 9.13 C ATOM 0 H VAL A 5 0.935 -7.509 2.534 1.00 4.44 H new ATOM 0 HA VAL A 5 0.629 -4.882 3.969 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.477 -6.082 1.491 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.156 -4.283 1.349 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.454 -5.413 2.692 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.758 -3.808 3.017 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.043 -3.903 0.550 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.680 -3.397 2.132 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.458 -4.729 1.245 1.00 9.13 H new ATOM 92 N LYS A 6 -1.265 -5.791 5.374 1.00 6.04 N ATOM 93 CA LYS A 6 -2.305 -6.313 6.254 1.00 6.12 C ATOM 94 C LYS A 6 -3.555 -5.447 6.039 1.00 6.57 C ATOM 95 O LYS A 6 -3.477 -4.309 5.596 1.00 5.76 O ATOM 96 CB LYS A 6 -1.975 -6.227 7.707 1.00 7.45 C ATOM 97 CG LYS A 6 -0.694 -7.042 8.037 1.00 11.12 C ATOM 98 CD LYS A 6 -0.260 -6.756 9.492 1.00 14.54 C ATOM 99 CE LYS A 6 -1.152 -7.238 10.571 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.337 -8.709 10.424 1.00 20.55 N ATOM 0 H LYS A 6 -0.852 -4.912 5.685 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.434 -7.367 6.006 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.830 -5.184 7.989 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.811 -6.603 8.296 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.884 -8.107 7.906 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.107 -6.774 7.348 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.724 -7.199 9.644 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.145 -5.678 9.605 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.722 -7.008 11.546 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.115 -6.730 10.519 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.773 -9.092 11.287 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.955 -8.902 9.610 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.413 -9.162 10.272 1.00 20.55 H new ATOM 114 N THR A 7 -4.749 -6.044 6.329 1.00 7.41 N ATOM 115 CA THR A 7 -6.059 -5.535 5.948 1.00 7.48 C ATOM 116 C THR A 7 -6.942 -5.495 7.166 1.00 8.75 C ATOM 117 O THR A 7 -6.496 -5.813 8.260 1.00 8.58 O ATOM 118 CB THR A 7 -6.766 -6.350 4.883 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.005 -7.700 5.245 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.862 -6.462 3.590 1.00 9.17 C ATOM 0 H THR A 7 -4.804 -6.919 6.851 1.00 7.41 H new ATOM 0 HA THR A 7 -5.883 -4.546 5.525 1.00 7.48 H new ATOM 0 HB THR A 7 -7.708 -5.824 4.731 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.925 -7.944 5.011 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.381 -7.050 2.833 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.660 -5.465 3.200 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.921 -6.949 3.845 1.00 9.17 H new ATOM 128 N LEU A 8 -8.182 -5.005 7.090 1.00 9.84 N ATOM 129 CA LEU A 8 -9.171 -4.935 8.095 1.00 14.15 C ATOM 130 C LEU A 8 -10.016 -6.206 8.037 1.00 17.37 C ATOM 131 O LEU A 8 -10.842 -6.481 8.913 1.00 17.01 O ATOM 132 CB LEU A 8 -10.039 -3.651 7.824 1.00 16.63 C ATOM 133 CG LEU A 8 -9.373 -2.277 7.735 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.197 -1.115 7.185 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.682 -1.823 9.071 1.00 18.59 C ATOM 0 H LEU A 8 -8.525 -4.612 6.214 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.734 -4.864 9.091 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.572 -3.813 6.887 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.790 -3.596 8.612 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.626 -2.489 6.970 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.592 -0.209 7.183 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.513 -1.343 6.167 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.076 -0.963 7.812 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.232 -0.840 8.932 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.426 -1.772 9.866 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.909 -2.541 9.343 1.00 18.59 H new ATOM 147 N THR A 9 -9.847 -7.028 6.996 1.00 18.33 N ATOM 148 CA THR A 9 -10.767 -8.088 6.671 1.00 19.24 C ATOM 149 C THR A 9 -9.996 -9.376 7.101 1.00 19.48 C ATOM 150 O THR A 9 -10.450 -10.454 6.814 1.00 23.14 O ATOM 151 CB THR A 9 -11.042 -8.052 5.158 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.877 -8.018 4.363 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.803 -6.851 4.932 1.00 19.70 C ATOM 0 H THR A 9 -9.054 -6.963 6.357 1.00 18.33 H new ATOM 0 HA THR A 9 -11.738 -8.021 7.162 1.00 19.24 H new ATOM 0 HB THR A 9 -11.563 -8.965 4.870 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.128 -7.998 3.416 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.035 -6.761 3.871 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.730 -6.895 5.503 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.221 -5.986 5.251 1.00 19.70 H new ATOM 161 N GLY A 10 -8.889 -9.299 7.945 1.00 19.43 N ATOM 162 CA GLY A 10 -8.212 -10.534 8.430 1.00 18.74 C ATOM 163 C GLY A 10 -7.391 -11.175 7.400 1.00 17.62 C ATOM 164 O GLY A 10 -7.450 -12.387 7.176 1.00 19.74 O ATOM 0 H GLY A 10 -8.479 -8.427 8.278 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.584 -10.286 9.286 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.964 -11.241 8.780 1.00 18.74 H new ATOM 168 N LYS A 11 -6.497 -10.419 6.745 1.00 13.56 N ATOM 169 CA LYS A 11 -5.676 -10.950 5.647 1.00 11.91 C ATOM 170 C LYS A 11 -4.283 -10.305 5.767 1.00 10.18 C ATOM 171 O LYS A 11 -4.123 -9.145 6.235 1.00 9.10 O ATOM 172 CB LYS A 11 -6.237 -10.692 4.285 1.00 13.43 C ATOM 173 CG LYS A 11 -7.674 -11.193 4.021 1.00 16.69 C ATOM 174 CD LYS A 11 -8.152 -11.110 2.554 1.00 17.92 C ATOM 175 CE LYS A 11 -7.305 -12.131 1.710 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.838 -12.363 0.349 1.00 21.93 N ATOM 0 H LYS A 11 -6.324 -9.436 6.957 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.643 -12.035 5.745 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.213 -9.617 4.105 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.576 -11.153 3.551 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.744 -12.230 4.349 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.360 -10.616 4.641 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.214 -11.347 2.485 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.025 -10.098 2.168 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.282 -11.764 1.632 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.263 -13.082 2.241 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.049 -12.509 -0.313 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.446 -13.206 0.354 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.394 -11.537 0.048 1.00 21.93 H new ATOM 190 N THR A 12 -3.217 -11.037 5.434 1.00 9.63 N ATOM 191 CA THR A 12 -1.917 -10.574 5.235 1.00 9.85 C ATOM 192 C THR A 12 -1.624 -10.969 3.826 1.00 11.66 C ATOM 193 O THR A 12 -1.560 -12.153 3.420 1.00 12.33 O ATOM 194 CB THR A 12 -0.851 -11.198 6.126 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.299 -10.993 7.440 1.00 10.91 O ATOM 196 CG2 THR A 12 0.504 -10.489 5.990 1.00 9.63 C ATOM 0 H THR A 12 -3.289 -12.045 5.295 1.00 9.63 H new ATOM 0 HA THR A 12 -1.879 -9.509 5.464 1.00 9.85 H new ATOM 0 HB THR A 12 -0.710 -12.245 5.856 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.653 -11.376 8.069 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.233 -10.968 6.644 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.846 -10.553 4.957 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.397 -9.442 6.273 1.00 9.63 H new ATOM 204 N ILE A 13 -1.412 -9.987 2.905 1.00 10.42 N ATOM 205 CA ILE A 13 -1.339 -10.214 1.500 1.00 11.84 C ATOM 206 C ILE A 13 -0.037 -9.692 1.055 1.00 10.55 C ATOM 207 O ILE A 13 0.479 -8.680 1.512 1.00 11.92 O ATOM 208 CB ILE A 13 -2.549 -9.510 0.735 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.509 -7.946 0.799 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.855 -10.022 1.390 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.528 -7.172 -0.108 1.00 16.46 C ATOM 0 H ILE A 13 -1.289 -9.008 3.162 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.422 -11.277 1.273 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.482 -9.764 -0.323 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.678 -7.644 1.833 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.503 -7.621 0.533 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.713 -9.565 0.897 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.913 -11.106 1.288 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.860 -9.756 2.447 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.396 -6.099 0.030 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.352 -7.428 -1.153 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.545 -7.451 0.167 1.00 16.46 H new ATOM 223 N THR A 14 0.566 -10.353 0.055 1.00 9.39 N ATOM 224 CA THR A 14 1.962 -10.162 -0.268 1.00 9.63 C ATOM 225 C THR A 14 2.123 -9.580 -1.638 1.00 11.20 C ATOM 226 O THR A 14 1.469 -10.035 -2.630 1.00 11.63 O ATOM 227 CB THR A 14 2.653 -11.547 -0.187 1.00 10.38 C ATOM 228 OG1 THR A 14 2.338 -12.318 0.949 1.00 16.30 O ATOM 229 CG2 THR A 14 4.139 -11.383 -0.365 1.00 11.66 C ATOM 0 H THR A 14 0.090 -11.029 -0.542 1.00 9.39 H new ATOM 0 HA THR A 14 2.415 -9.462 0.434 1.00 9.63 H new ATOM 0 HB THR A 14 2.243 -12.135 -1.008 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.727 -11.901 1.746 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.622 -12.358 -0.308 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.342 -10.934 -1.338 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.531 -10.737 0.421 1.00 11.66 H new ATOM 237 N LEU A 15 2.923 -8.510 -1.785 1.00 8.29 N ATOM 238 CA LEU A 15 2.989 -7.704 -2.983 1.00 9.03 C ATOM 239 C LEU A 15 4.345 -7.581 -3.479 1.00 8.59 C ATOM 240 O LEU A 15 5.313 -7.255 -2.764 1.00 7.79 O ATOM 241 CB LEU A 15 2.400 -6.329 -2.655 1.00 11.08 C ATOM 242 CG LEU A 15 0.909 -6.403 -2.115 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.502 -4.939 -2.045 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.078 -7.187 -3.010 1.00 15.27 C ATOM 0 H LEU A 15 3.550 -8.187 -1.048 1.00 8.29 H new ATOM 0 HA LEU A 15 2.417 -8.185 -3.776 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.027 -5.841 -1.909 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.426 -5.707 -3.549 1.00 11.08 H new ATOM 0 HG LEU A 15 0.873 -6.946 -1.171 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.522 -4.863 -1.681 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.169 -4.408 -1.366 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.567 -4.495 -3.038 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.068 -7.179 -2.554 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.128 -6.719 -3.993 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.265 -8.216 -3.115 1.00 15.27 H new ATOM 256 N GLU A 16 4.537 -7.870 -4.771 1.00 11.04 N ATOM 257 CA GLU A 16 5.867 -7.684 -5.357 1.00 11.50 C ATOM 258 C GLU A 16 6.059 -6.285 -5.868 1.00 10.13 C ATOM 259 O GLU A 16 5.190 -5.704 -6.557 1.00 9.83 O ATOM 260 CB GLU A 16 6.072 -8.694 -6.518 1.00 17.22 C ATOM 261 CG GLU A 16 7.502 -8.611 -7.076 1.00 23.33 C ATOM 262 CD GLU A 16 7.743 -9.551 -8.246 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.042 -9.496 -9.269 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.733 -10.332 -8.084 1.00 28.86 O ATOM 0 H GLU A 16 3.821 -8.219 -5.408 1.00 11.04 H new ATOM 0 HA GLU A 16 6.604 -7.859 -4.574 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.875 -9.706 -6.163 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.355 -8.489 -7.313 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.703 -7.588 -7.393 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.210 -8.843 -6.280 1.00 23.33 H new ATOM 271 N VAL A 17 7.201 -5.755 -5.376 1.00 8.99 N ATOM 272 CA VAL A 17 7.479 -4.312 -5.460 1.00 8.85 C ATOM 273 C VAL A 17 8.920 -4.152 -5.536 1.00 8.04 C ATOM 274 O VAL A 17 9.696 -5.122 -5.494 1.00 8.99 O ATOM 275 CB VAL A 17 6.992 -3.507 -4.243 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.439 -3.463 -4.329 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.396 -4.231 -2.947 1.00 10.54 C ATOM 0 H VAL A 17 7.934 -6.301 -4.923 1.00 8.99 H new ATOM 0 HA VAL A 17 6.946 -3.932 -6.331 1.00 8.85 H new ATOM 0 HB VAL A 17 7.426 -2.507 -4.239 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.044 -2.900 -3.483 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.140 -2.979 -5.259 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.044 -4.479 -4.305 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.049 -3.658 -2.087 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.944 -5.223 -2.928 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.481 -4.326 -2.906 1.00 10.54 H new ATOM 287 N GLU A 18 9.399 -2.890 -5.668 1.00 7.29 N ATOM 288 CA GLU A 18 10.789 -2.550 -5.559 1.00 7.08 C ATOM 289 C GLU A 18 10.728 -1.149 -5.028 1.00 6.45 C ATOM 290 O GLU A 18 9.688 -0.433 -5.026 1.00 5.28 O ATOM 291 CB GLU A 18 11.469 -2.709 -6.900 1.00 10.28 C ATOM 292 CG GLU A 18 12.117 -4.087 -7.139 1.00 12.65 C ATOM 293 CD GLU A 18 13.376 -4.407 -6.363 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.298 -3.513 -6.354 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.476 -5.457 -5.664 1.00 14.33 O ATOM 0 H GLU A 18 8.799 -2.087 -5.856 1.00 7.29 H new ATOM 0 HA GLU A 18 11.389 -3.185 -4.907 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.737 -2.527 -7.686 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.237 -1.941 -6.995 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.376 -4.852 -6.909 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.345 -4.173 -8.201 1.00 12.65 H new ATOM 302 N PRO A 19 11.835 -0.612 -4.502 1.00 7.24 N ATOM 303 CA PRO A 19 12.074 0.832 -4.198 1.00 7.07 C ATOM 304 C PRO A 19 11.662 1.907 -5.143 1.00 6.65 C ATOM 305 O PRO A 19 11.360 2.995 -4.769 1.00 6.37 O ATOM 306 CB PRO A 19 13.623 0.860 -3.929 1.00 7.61 C ATOM 307 CG PRO A 19 13.905 -0.545 -3.316 1.00 8.16 C ATOM 308 CD PRO A 19 12.997 -1.405 -4.114 1.00 7.49 C ATOM 0 HA PRO A 19 11.404 1.108 -3.384 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.188 1.019 -4.847 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.898 1.661 -3.243 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.949 -0.838 -3.426 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.674 -0.582 -2.251 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.511 -1.782 -4.998 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.687 -2.272 -3.531 1.00 7.49 H new ATOM 316 N SER A 20 11.760 1.601 -6.427 1.00 6.80 N ATOM 317 CA SER A 20 11.472 2.546 -7.499 1.00 6.28 C ATOM 318 C SER A 20 9.999 2.654 -7.765 1.00 8.45 C ATOM 319 O SER A 20 9.635 3.620 -8.403 1.00 7.26 O ATOM 320 CB SER A 20 12.101 2.128 -8.844 1.00 8.57 C ATOM 321 OG SER A 20 13.539 2.045 -8.633 1.00 11.13 O ATOM 0 H SER A 20 12.045 0.680 -6.760 1.00 6.80 H new ATOM 0 HA SER A 20 11.891 3.490 -7.149 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.703 1.168 -9.174 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.867 2.855 -9.622 1.00 8.57 H new ATOM 0 HG SER A 20 13.977 1.779 -9.468 1.00 11.13 H new ATOM 327 N ASP A 21 9.151 1.713 -7.368 1.00 7.50 N ATOM 328 CA ASP A 21 7.747 1.759 -7.560 1.00 7.70 C ATOM 329 C ASP A 21 7.020 2.726 -6.637 1.00 7.08 C ATOM 330 O ASP A 21 7.492 3.004 -5.537 1.00 8.11 O ATOM 331 CB ASP A 21 7.186 0.296 -7.389 1.00 11.00 C ATOM 332 CG ASP A 21 7.544 -0.669 -8.455 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.651 -0.249 -9.633 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.737 -1.866 -8.177 1.00 18.03 O ATOM 0 H ASP A 21 9.459 0.869 -6.884 1.00 7.50 H new ATOM 0 HA ASP A 21 7.562 2.143 -8.563 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.540 -0.098 -6.437 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.099 0.351 -7.327 1.00 11.00 H new ATOM 339 N THR A 22 5.951 3.381 -7.115 1.00 5.37 N ATOM 340 CA THR A 22 5.135 4.362 -6.441 1.00 6.01 C ATOM 341 C THR A 22 3.960 3.691 -5.704 1.00 8.01 C ATOM 342 O THR A 22 3.548 2.571 -6.006 1.00 8.11 O ATOM 343 CB THR A 22 4.524 5.463 -7.346 1.00 8.92 C ATOM 344 OG1 THR A 22 3.762 4.902 -8.406 1.00 10.22 O ATOM 345 CG2 THR A 22 5.602 6.282 -8.043 1.00 9.65 C ATOM 0 H THR A 22 5.620 3.212 -8.065 1.00 5.37 H new ATOM 0 HA THR A 22 5.838 4.844 -5.761 1.00 6.01 H new ATOM 0 HB THR A 22 3.915 6.073 -6.679 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.389 5.621 -8.957 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.134 7.043 -8.668 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.233 6.764 -7.296 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.212 5.627 -8.665 1.00 9.65 H new ATOM 353 N ILE A 23 3.428 4.357 -4.694 1.00 8.32 N ATOM 354 CA ILE A 23 2.391 3.883 -3.829 1.00 9.92 C ATOM 355 C ILE A 23 1.127 3.637 -4.661 1.00 10.01 C ATOM 356 O ILE A 23 0.405 2.680 -4.429 1.00 8.71 O ATOM 357 CB ILE A 23 2.173 4.850 -2.651 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.522 5.242 -1.989 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.317 4.131 -1.641 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.387 4.100 -1.379 1.00 12.30 C ATOM 0 H ILE A 23 3.735 5.299 -4.451 1.00 8.32 H new ATOM 0 HA ILE A 23 2.678 2.934 -3.375 1.00 9.92 H new ATOM 0 HB ILE A 23 1.699 5.765 -3.007 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.125 5.757 -2.736 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.311 5.962 -1.198 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.137 4.783 -0.786 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.365 3.861 -2.098 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.829 3.228 -1.307 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.298 4.521 -0.953 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.821 3.593 -0.597 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.648 3.385 -2.159 1.00 12.30 H new ATOM 372 N GLU A 24 0.829 4.520 -5.655 1.00 9.54 N ATOM 373 CA GLU A 24 -0.164 4.247 -6.711 1.00 11.81 C ATOM 374 C GLU A 24 0.007 2.926 -7.441 1.00 11.14 C ATOM 375 O GLU A 24 -0.936 2.211 -7.716 1.00 10.62 O ATOM 376 CB GLU A 24 -0.133 5.435 -7.751 1.00 19.24 C ATOM 377 CG GLU A 24 -1.055 5.379 -8.994 1.00 27.76 C ATOM 378 CD GLU A 24 -1.122 6.645 -9.741 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.077 7.150 -10.207 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.243 7.180 -9.899 1.00 36.51 O ATOM 0 H GLU A 24 1.273 5.434 -5.739 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.126 4.166 -6.205 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.369 6.351 -7.209 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.892 5.531 -8.108 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.702 4.592 -9.661 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.060 5.101 -8.677 1.00 27.76 H new ATOM 387 N ASN A 25 1.225 2.545 -7.830 1.00 9.43 N ATOM 388 CA ASN A 25 1.488 1.236 -8.420 1.00 10.96 C ATOM 389 C ASN A 25 1.166 0.107 -7.386 1.00 9.68 C ATOM 390 O ASN A 25 0.625 -0.918 -7.769 1.00 9.33 O ATOM 391 CB ASN A 25 2.954 1.233 -8.832 1.00 16.78 C ATOM 392 CG ASN A 25 3.268 0.286 -9.974 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.111 -0.597 -9.854 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.655 0.461 -11.149 1.00 24.70 N ATOM 0 H ASN A 25 2.053 3.135 -7.744 1.00 9.43 H new ATOM 0 HA ASN A 25 0.857 1.047 -9.289 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.242 2.244 -9.121 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.563 0.962 -7.970 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.889 -0.138 -11.941 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.953 1.194 -11.254 1.00 24.70 H new ATOM 401 N VAL A 26 1.542 0.309 -6.106 1.00 6.52 N ATOM 402 CA VAL A 26 1.238 -0.714 -5.082 1.00 5.53 C ATOM 403 C VAL A 26 -0.252 -0.999 -4.938 1.00 4.42 C ATOM 404 O VAL A 26 -0.689 -2.116 -4.946 1.00 3.40 O ATOM 405 CB VAL A 26 1.926 -0.407 -3.760 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.471 -1.458 -2.763 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.484 -0.405 -3.980 1.00 8.12 C ATOM 0 H VAL A 26 2.036 1.134 -5.765 1.00 6.52 H new ATOM 0 HA VAL A 26 1.663 -1.651 -5.442 1.00 5.53 H new ATOM 0 HB VAL A 26 1.663 0.577 -3.372 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.943 -1.273 -1.798 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.388 -1.409 -2.652 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.755 -2.447 -3.122 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.984 -0.186 -3.037 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.802 -1.383 -4.340 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.747 0.355 -4.715 1.00 8.12 H new ATOM 417 N LYS A 27 -1.110 0.017 -4.800 1.00 2.64 N ATOM 418 CA LYS A 27 -2.602 -0.104 -4.743 1.00 4.14 C ATOM 419 C LYS A 27 -3.186 -0.799 -6.002 1.00 5.58 C ATOM 420 O LYS A 27 -4.069 -1.584 -5.947 1.00 4.11 O ATOM 421 CB LYS A 27 -3.270 1.356 -4.496 1.00 3.97 C ATOM 422 CG LYS A 27 -2.839 1.992 -3.190 1.00 7.45 C ATOM 423 CD LYS A 27 -3.537 3.356 -3.062 1.00 9.02 C ATOM 424 CE LYS A 27 -2.903 4.108 -1.911 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.504 5.401 -1.779 1.00 15.47 N ATOM 0 H LYS A 27 -0.793 0.983 -4.721 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.854 -0.747 -3.900 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.002 2.016 -5.321 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.356 1.259 -4.505 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.104 1.350 -2.350 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.756 2.116 -3.168 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.436 3.923 -3.988 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.604 3.221 -2.886 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.026 3.545 -0.986 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.831 4.212 -2.080 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.039 5.923 -1.009 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.394 5.927 -2.669 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.516 5.293 -1.563 1.00 15.47 H new ATOM 439 N ALA A 28 -2.621 -0.478 -7.206 1.00 6.61 N ATOM 440 CA ALA A 28 -2.873 -1.206 -8.429 1.00 7.74 C ATOM 441 C ALA A 28 -2.552 -2.681 -8.334 1.00 9.17 C ATOM 442 O ALA A 28 -3.276 -3.536 -8.883 1.00 11.45 O ATOM 443 CB ALA A 28 -2.105 -0.640 -9.655 1.00 7.68 C ATOM 0 H ALA A 28 -1.977 0.304 -7.325 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.945 -1.076 -8.575 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.341 -1.234 -10.538 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.402 0.395 -9.824 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.033 -0.683 -9.464 1.00 7.68 H new ATOM 449 N LYS A 29 -1.458 -3.120 -7.650 1.00 8.96 N ATOM 450 CA LYS A 29 -1.131 -4.479 -7.370 1.00 7.90 C ATOM 451 C LYS A 29 -2.201 -5.097 -6.520 1.00 6.92 C ATOM 452 O LYS A 29 -2.675 -6.134 -6.840 1.00 6.87 O ATOM 453 CB LYS A 29 0.318 -4.667 -6.873 1.00 10.28 C ATOM 454 CG LYS A 29 1.342 -4.114 -7.851 1.00 14.94 C ATOM 455 CD LYS A 29 2.767 -4.149 -7.375 1.00 19.69 C ATOM 456 CE LYS A 29 3.656 -3.078 -8.035 1.00 22.63 C ATOM 457 NZ LYS A 29 3.694 -3.313 -9.506 1.00 24.98 N ATOM 0 H LYS A 29 -0.766 -2.471 -7.275 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.126 -5.044 -8.302 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.436 -4.172 -5.909 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.509 -5.728 -6.712 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.273 -4.677 -8.782 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.079 -3.082 -8.083 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.785 -4.011 -6.294 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.186 -5.135 -7.577 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.265 -2.083 -7.823 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.664 -3.119 -7.622 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.857 -2.411 -9.998 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.464 -3.974 -9.732 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.788 -3.718 -9.816 1.00 24.98 H new ATOM 471 N ILE A 30 -2.696 -4.384 -5.423 1.00 4.57 N ATOM 472 CA ILE A 30 -3.902 -4.707 -4.625 1.00 5.58 C ATOM 473 C ILE A 30 -5.095 -4.887 -5.467 1.00 7.26 C ATOM 474 O ILE A 30 -5.856 -5.815 -5.379 1.00 9.46 O ATOM 475 CB ILE A 30 -4.010 -3.780 -3.423 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.853 -3.881 -2.459 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.312 -4.097 -2.746 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.799 -2.785 -1.402 1.00 2.00 C ATOM 0 H ILE A 30 -2.228 -3.544 -5.083 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.807 -5.695 -4.175 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.975 -2.748 -3.772 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.901 -4.847 -1.957 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.923 -3.863 -3.027 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.435 -3.455 -1.874 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.134 -3.927 -3.441 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.314 -5.140 -2.431 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.934 -2.943 -0.758 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.716 -1.813 -1.889 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.709 -2.813 -0.802 1.00 2.00 H new ATOM 490 N GLN A 31 -5.437 -3.883 -6.341 1.00 7.06 N ATOM 491 CA GLN A 31 -6.573 -3.899 -7.278 1.00 8.67 C ATOM 492 C GLN A 31 -6.520 -5.123 -8.133 1.00 10.90 C ATOM 493 O GLN A 31 -7.571 -5.744 -8.336 1.00 9.63 O ATOM 494 CB GLN A 31 -6.610 -2.636 -8.088 1.00 9.12 C ATOM 495 CG GLN A 31 -7.776 -2.410 -9.054 1.00 10.76 C ATOM 496 CD GLN A 31 -7.700 -1.020 -9.669 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.662 -0.393 -9.800 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.867 -0.423 -9.957 1.00 14.76 N ATOM 0 H GLN A 31 -4.899 -3.018 -6.400 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.504 -3.938 -6.712 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.592 -1.797 -7.392 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.688 -2.589 -8.668 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.754 -3.164 -9.841 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.722 -2.528 -8.525 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.742 -0.936 -9.852 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.879 0.544 -10.281 1.00 14.76 H new ATOM 507 N ASP A 32 -5.318 -5.434 -8.535 1.00 10.93 N ATOM 508 CA ASP A 32 -5.217 -6.670 -9.328 1.00 14.01 C ATOM 509 C ASP A 32 -5.475 -7.928 -8.428 1.00 14.04 C ATOM 510 O ASP A 32 -6.184 -8.820 -8.887 1.00 13.39 O ATOM 511 CB ASP A 32 -3.744 -6.812 -9.877 1.00 18.01 C ATOM 512 CG ASP A 32 -3.688 -7.814 -11.042 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.661 -7.780 -11.867 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.725 -8.580 -11.103 1.00 26.29 O ATOM 0 H ASP A 32 -4.456 -4.917 -8.359 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.952 -6.615 -10.131 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.380 -5.840 -10.210 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.083 -7.142 -9.076 1.00 18.01 H new ATOM 519 N LYS A 33 -4.975 -8.007 -7.162 1.00 14.22 N ATOM 520 CA LYS A 33 -5.030 -9.246 -6.407 1.00 14.00 C ATOM 521 C LYS A 33 -6.406 -9.407 -5.741 1.00 12.37 C ATOM 522 O LYS A 33 -7.052 -10.467 -5.766 1.00 12.17 O ATOM 523 CB LYS A 33 -3.933 -9.215 -5.395 1.00 18.62 C ATOM 524 CG LYS A 33 -3.927 -10.480 -4.530 1.00 24.00 C ATOM 525 CD LYS A 33 -2.928 -10.526 -3.433 1.00 27.61 C ATOM 526 CE LYS A 33 -1.435 -10.480 -3.792 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.925 -11.665 -4.564 1.00 30.06 N ATOM 0 H LYS A 33 -4.540 -7.228 -6.668 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.894 -10.104 -7.066 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.973 -9.115 -5.901 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.050 -8.338 -4.758 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.919 -10.600 -4.094 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.759 -11.338 -5.181 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.133 -9.690 -2.764 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.103 -11.439 -2.865 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.245 -9.578 -4.374 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.859 -10.391 -2.871 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.089 -11.542 -4.758 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.068 -12.531 -4.006 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.443 -11.743 -5.463 1.00 30.06 H new ATOM 541 N GLU A 34 -6.891 -8.353 -5.075 1.00 10.11 N ATOM 542 CA GLU A 34 -8.022 -8.428 -4.124 1.00 10.07 C ATOM 543 C GLU A 34 -9.252 -7.670 -4.639 1.00 9.32 C ATOM 544 O GLU A 34 -10.259 -7.613 -3.975 1.00 11.61 O ATOM 545 CB GLU A 34 -7.564 -7.817 -2.766 1.00 14.77 C ATOM 546 CG GLU A 34 -6.530 -8.636 -1.970 1.00 18.75 C ATOM 547 CD GLU A 34 -7.164 -9.866 -1.416 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.102 -9.795 -0.541 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.832 -10.990 -1.869 1.00 25.19 O ATOM 0 H GLU A 34 -6.511 -7.412 -5.177 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.308 -9.473 -4.005 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.145 -6.829 -2.958 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.444 -7.674 -2.140 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.695 -8.908 -2.616 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.122 -8.032 -1.160 1.00 18.75 H new ATOM 556 N GLY A 35 -9.184 -7.023 -5.831 1.00 7.22 N ATOM 557 CA GLY A 35 -10.249 -6.265 -6.535 1.00 6.29 C ATOM 558 C GLY A 35 -10.476 -4.818 -6.109 1.00 6.93 C ATOM 559 O GLY A 35 -11.301 -4.149 -6.630 1.00 7.41 O ATOM 0 H GLY A 35 -8.315 -7.018 -6.366 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.019 -6.271 -7.600 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.187 -6.805 -6.408 1.00 6.29 H new ATOM 563 N ILE A 36 -9.681 -4.305 -5.167 1.00 5.86 N ATOM 564 CA ILE A 36 -10.204 -3.099 -4.538 1.00 6.07 C ATOM 565 C ILE A 36 -9.871 -1.828 -5.446 1.00 6.36 C ATOM 566 O ILE A 36 -8.702 -1.766 -5.842 1.00 6.18 O ATOM 567 CB ILE A 36 -9.564 -3.017 -3.180 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.724 -4.311 -2.322 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.191 -1.876 -2.419 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.654 -4.415 -1.314 1.00 9.49 C ATOM 0 H ILE A 36 -8.777 -4.656 -4.852 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.289 -3.124 -4.432 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.497 -2.873 -3.351 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.695 -4.305 -1.827 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.703 -5.186 -2.971 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.736 -1.804 -1.431 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.029 -0.944 -2.961 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.261 -2.053 -2.314 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.791 -5.326 -0.731 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.686 -4.446 -1.813 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.693 -3.551 -0.651 1.00 9.49 H new ATOM 582 N PRO A 37 -10.813 -0.920 -5.796 1.00 8.65 N ATOM 583 CA PRO A 37 -10.412 0.327 -6.445 1.00 9.18 C ATOM 584 C PRO A 37 -9.330 1.097 -5.628 1.00 9.85 C ATOM 585 O PRO A 37 -9.441 1.120 -4.425 1.00 8.51 O ATOM 586 CB PRO A 37 -11.744 1.125 -6.495 1.00 11.42 C ATOM 587 CG PRO A 37 -12.863 0.086 -6.618 1.00 9.27 C ATOM 588 CD PRO A 37 -12.286 -1.069 -5.810 1.00 8.33 C ATOM 0 HA PRO A 37 -9.955 0.166 -7.421 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.870 1.728 -5.596 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.755 1.811 -7.342 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.806 0.446 -6.206 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.054 -0.192 -7.654 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.681 -1.059 -4.794 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.569 -2.024 -6.253 1.00 8.33 H new ATOM 596 N PRO A 38 -8.284 1.731 -6.243 1.00 8.71 N ATOM 597 CA PRO A 38 -7.240 2.584 -5.536 1.00 9.08 C ATOM 598 C PRO A 38 -7.780 3.791 -4.787 1.00 9.28 C ATOM 599 O PRO A 38 -7.214 4.154 -3.798 1.00 6.50 O ATOM 600 CB PRO A 38 -6.335 3.039 -6.699 1.00 10.31 C ATOM 601 CG PRO A 38 -7.313 3.218 -7.838 1.00 10.81 C ATOM 602 CD PRO A 38 -8.243 2.000 -7.677 1.00 12.00 C ATOM 0 HA PRO A 38 -6.748 2.011 -4.750 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.813 3.967 -6.465 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.574 2.295 -6.933 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.859 4.158 -7.759 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.812 3.220 -8.806 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.239 2.212 -8.066 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.863 1.140 -8.227 1.00 12.00 H new ATOM 610 N ASP A 39 -8.959 4.369 -5.139 1.00 11.20 N ATOM 611 CA ASP A 39 -9.511 5.499 -4.377 1.00 14.96 C ATOM 612 C ASP A 39 -10.151 5.021 -3.086 1.00 13.99 C ATOM 613 O ASP A 39 -10.356 5.769 -2.129 1.00 13.75 O ATOM 614 CB ASP A 39 -10.530 6.247 -5.216 1.00 24.16 C ATOM 615 CG ASP A 39 -9.713 7.062 -6.185 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.004 8.007 -5.722 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.815 6.849 -7.403 1.00 35.55 O ATOM 0 H ASP A 39 -9.529 4.072 -5.931 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.692 6.173 -4.125 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.192 5.558 -5.740 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.160 6.885 -4.596 1.00 24.16 H new ATOM 622 N GLN A 40 -10.476 3.765 -2.959 1.00 11.60 N ATOM 623 CA GLN A 40 -10.913 3.209 -1.739 1.00 10.76 C ATOM 624 C GLN A 40 -9.822 2.764 -0.800 1.00 8.01 C ATOM 625 O GLN A 40 -10.083 2.193 0.258 1.00 8.96 O ATOM 626 CB GLN A 40 -11.871 2.023 -2.072 1.00 11.14 C ATOM 627 CG GLN A 40 -13.164 2.618 -2.709 1.00 14.85 C ATOM 628 CD GLN A 40 -14.193 1.544 -3.042 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.063 0.391 -2.616 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.215 1.902 -3.769 1.00 18.16 N ATOM 0 H GLN A 40 -10.439 3.096 -3.728 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.418 4.004 -1.191 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.392 1.327 -2.760 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.113 1.463 -1.169 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.605 3.340 -2.022 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.902 3.161 -3.617 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.291 2.862 -4.104 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.938 1.222 -4.002 1.00 18.16 H new ATOM 639 N GLN A 41 -8.512 2.937 -1.157 1.00 6.52 N ATOM 640 CA GLN A 41 -7.450 2.417 -0.342 1.00 3.87 C ATOM 641 C GLN A 41 -6.483 3.493 0.237 1.00 4.79 C ATOM 642 O GLN A 41 -5.832 4.268 -0.439 1.00 6.34 O ATOM 643 CB GLN A 41 -6.513 1.579 -1.311 1.00 4.20 C ATOM 644 CG GLN A 41 -7.176 0.264 -1.924 1.00 3.20 C ATOM 645 CD GLN A 41 -6.188 -0.439 -2.834 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.048 -0.682 -2.413 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.521 -0.776 -4.099 1.00 7.13 N ATOM 0 H GLN A 41 -8.205 3.429 -1.996 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.930 1.883 0.478 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.196 2.223 -2.131 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.614 1.293 -0.764 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.484 -0.406 -1.121 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.074 0.526 -2.483 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.458 -0.578 -4.450 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.835 -1.229 -4.704 1.00 7.13 H new ATOM 656 N ARG A 42 -6.375 3.614 1.572 1.00 5.73 N ATOM 657 CA ARG A 42 -5.307 4.361 2.183 1.00 6.97 C ATOM 658 C ARG A 42 -4.172 3.357 2.450 1.00 7.15 C ATOM 659 O ARG A 42 -4.450 2.297 2.989 1.00 7.33 O ATOM 660 CB ARG A 42 -5.666 4.914 3.542 1.00 13.23 C ATOM 661 CG ARG A 42 -6.730 5.966 3.540 1.00 21.27 C ATOM 662 CD ARG A 42 -6.931 6.621 4.880 1.00 26.14 C ATOM 663 NE ARG A 42 -8.004 7.621 4.697 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.790 8.957 4.455 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.595 9.401 4.078 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.816 9.840 4.530 1.00 36.39 N ATOM 0 H ARG A 42 -7.027 3.195 2.235 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.059 5.188 1.517 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.993 4.091 4.177 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.767 5.330 3.997 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.473 6.730 2.806 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.671 5.519 3.218 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.210 5.885 5.634 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.012 7.096 5.222 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.970 7.297 4.754 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.821 8.747 3.964 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.453 10.396 3.902 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.753 9.514 4.767 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.651 10.830 4.349 1.00 36.39 H new ATOM 680 N LEU A 43 -2.891 3.649 2.036 1.00 4.65 N ATOM 681 CA LEU A 43 -1.712 2.791 2.515 1.00 3.51 C ATOM 682 C LEU A 43 -1.042 3.463 3.643 1.00 5.56 C ATOM 683 O LEU A 43 -0.952 4.677 3.662 1.00 4.19 O ATOM 684 CB LEU A 43 -0.714 2.290 1.399 1.00 3.74 C ATOM 685 CG LEU A 43 -1.426 1.274 0.443 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.458 0.722 -0.652 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.110 0.110 1.196 1.00 6.41 C ATOM 0 H LEU A 43 -2.643 4.417 1.413 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.142 1.850 2.857 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.344 3.140 0.826 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.152 1.817 1.863 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.213 1.844 -0.051 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.994 0.021 -1.292 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.081 1.548 -1.255 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.378 0.211 -0.174 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.585 -0.559 0.478 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.364 -0.442 1.767 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.864 0.509 1.874 1.00 6.41 H new ATOM 699 N ILE A 44 -0.626 2.638 4.608 1.00 4.58 N ATOM 700 CA ILE A 44 -0.043 3.081 5.863 1.00 5.55 C ATOM 701 C ILE A 44 1.182 2.265 6.183 1.00 5.46 C ATOM 702 O ILE A 44 1.197 1.067 5.996 1.00 6.04 O ATOM 703 CB ILE A 44 -0.955 2.939 7.108 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.392 3.522 6.786 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.340 3.637 8.354 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.517 5.007 6.647 1.00 13.90 C ATOM 0 H ILE A 44 -0.690 1.623 4.530 1.00 4.58 H new ATOM 0 HA ILE A 44 0.156 4.139 5.692 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.044 1.879 7.347 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.741 3.066 5.859 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.071 3.199 7.575 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.009 3.515 9.206 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.626 3.187 8.583 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.206 4.699 8.147 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.553 5.266 6.427 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.213 5.486 7.577 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.877 5.352 5.835 1.00 13.90 H new ATOM 718 N PHE A 45 2.269 2.784 6.708 1.00 6.75 N ATOM 719 CA PHE A 45 3.433 2.036 7.157 1.00 4.70 C ATOM 720 C PHE A 45 3.697 2.400 8.644 1.00 6.34 C ATOM 721 O PHE A 45 4.315 3.371 8.981 1.00 5.45 O ATOM 722 CB PHE A 45 4.647 2.445 6.309 1.00 5.51 C ATOM 723 CG PHE A 45 5.926 1.669 6.581 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.009 0.307 6.815 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.130 2.375 6.472 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.222 -0.308 7.122 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.375 1.753 6.671 1.00 6.64 C ATOM 728 CZ PHE A 45 8.397 0.421 7.121 1.00 6.84 C ATOM 0 H PHE A 45 2.375 3.790 6.842 1.00 6.75 H new ATOM 0 HA PHE A 45 3.264 0.964 7.055 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.389 2.329 5.256 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.843 3.504 6.474 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.113 -0.293 6.758 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.102 3.427 6.228 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.244 -1.361 7.362 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.295 2.287 6.482 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.319 -0.027 7.461 1.00 6.84 H new ATOM 738 N ALA A 46 3.360 1.520 9.661 1.00 6.53 N ATOM 739 CA ALA A 46 3.583 1.629 11.101 1.00 7.15 C ATOM 740 C ALA A 46 3.071 2.927 11.681 1.00 9.00 C ATOM 741 O ALA A 46 3.774 3.604 12.417 1.00 11.15 O ATOM 742 CB ALA A 46 5.064 1.340 11.546 1.00 8.99 C ATOM 0 H ALA A 46 2.883 0.647 9.438 1.00 6.53 H new ATOM 0 HA ALA A 46 2.982 0.826 11.527 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.145 1.442 12.628 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.340 0.326 11.255 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.734 2.051 11.063 1.00 8.99 H new ATOM 748 N GLY A 47 1.812 3.246 11.307 1.00 9.35 N ATOM 749 CA GLY A 47 0.980 4.379 11.782 1.00 11.68 C ATOM 750 C GLY A 47 1.052 5.597 10.838 1.00 11.14 C ATOM 751 O GLY A 47 0.247 6.519 10.953 1.00 13.93 O ATOM 0 H GLY A 47 1.314 2.682 10.618 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.056 4.053 11.872 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.308 4.675 12.778 1.00 11.68 H new ATOM 755 N LYS A 48 2.011 5.532 9.860 1.00 10.47 N ATOM 756 CA LYS A 48 2.257 6.672 8.947 1.00 8.82 C ATOM 757 C LYS A 48 1.689 6.494 7.563 1.00 7.68 C ATOM 758 O LYS A 48 1.913 5.478 6.954 1.00 6.47 O ATOM 759 CB LYS A 48 3.760 6.976 8.764 1.00 9.74 C ATOM 760 CG LYS A 48 4.131 8.132 7.815 1.00 14.14 C ATOM 761 CD LYS A 48 5.599 8.546 8.037 1.00 16.32 C ATOM 762 CE LYS A 48 5.922 9.726 7.084 1.00 20.04 C ATOM 763 NZ LYS A 48 7.308 10.178 7.335 1.00 23.92 N ATOM 0 H LYS A 48 2.606 4.720 9.695 1.00 10.47 H new ATOM 0 HA LYS A 48 1.745 7.494 9.447 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.183 7.194 9.745 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.247 6.071 8.401 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.984 7.825 6.780 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.474 8.983 7.991 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.757 8.841 9.074 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.264 7.706 7.840 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.809 9.414 6.046 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.222 10.546 7.248 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.535 10.970 6.700 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.398 10.489 8.323 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.967 9.393 7.158 1.00 23.92 H new ATOM 777 N GLN A 49 0.886 7.410 7.066 1.00 8.89 N ATOM 778 CA GLN A 49 0.207 7.290 5.786 1.00 7.18 C ATOM 779 C GLN A 49 1.135 7.687 4.605 1.00 8.23 C ATOM 780 O GLN A 49 1.917 8.577 4.818 1.00 9.70 O ATOM 781 CB GLN A 49 -0.916 8.341 5.932 1.00 11.67 C ATOM 782 CG GLN A 49 -1.882 8.232 4.791 1.00 15.82 C ATOM 783 CD GLN A 49 -3.118 9.145 4.849 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.222 8.846 5.288 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.902 10.407 4.450 1.00 20.67 N ATOM 0 H GLN A 49 0.679 8.283 7.551 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.129 6.275 5.572 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.440 8.194 6.876 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.485 9.342 5.959 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.344 8.444 3.867 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.224 7.199 4.731 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.990 10.676 4.082 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.650 11.098 4.515 1.00 20.67 H new ATOM 794 N LEU A 50 1.051 7.074 3.422 1.00 6.51 N ATOM 795 CA LEU A 50 1.978 7.340 2.425 1.00 7.41 C ATOM 796 C LEU A 50 1.221 7.909 1.237 1.00 8.27 C ATOM 797 O LEU A 50 0.194 7.401 0.960 1.00 8.34 O ATOM 798 CB LEU A 50 2.588 6.015 1.922 1.00 7.13 C ATOM 799 CG LEU A 50 3.135 5.119 2.999 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.647 3.767 2.375 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.215 5.707 3.851 1.00 9.11 C ATOM 0 H LEU A 50 0.332 6.395 3.172 1.00 6.51 H new ATOM 0 HA LEU A 50 2.744 8.012 2.812 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.825 5.468 1.368 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.389 6.245 1.219 1.00 7.13 H new ATOM 0 HG LEU A 50 2.291 4.958 3.670 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.040 3.128 3.165 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.821 3.261 1.876 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.435 3.976 1.651 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.533 4.974 4.592 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.064 5.982 3.225 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.836 6.594 4.358 1.00 9.11 H new ATOM 813 N GLU A 51 1.730 8.917 0.499 1.00 9.43 N ATOM 814 CA GLU A 51 1.071 9.544 -0.614 1.00 11.90 C ATOM 815 C GLU A 51 1.341 8.908 -1.995 1.00 11.49 C ATOM 816 O GLU A 51 2.439 8.415 -2.250 1.00 9.88 O ATOM 817 CB GLU A 51 1.274 11.045 -0.611 1.00 16.56 C ATOM 818 CG GLU A 51 0.406 11.598 0.599 1.00 26.06 C ATOM 819 CD GLU A 51 0.542 13.123 0.769 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.496 13.856 -0.235 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.573 13.584 1.944 1.00 33.44 O ATOM 0 H GLU A 51 2.649 9.316 0.688 1.00 9.43 H new ATOM 0 HA GLU A 51 0.011 9.347 -0.451 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.327 11.297 -0.484 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.953 11.485 -1.555 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.642 11.345 0.437 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.714 11.103 1.520 1.00 26.06 H new ATOM 828 N ASP A 52 0.348 8.902 -2.882 1.00 12.71 N ATOM 829 CA ASP A 52 0.302 7.974 -3.988 1.00 16.56 C ATOM 830 C ASP A 52 1.499 8.048 -4.993 1.00 15.83 C ATOM 831 O ASP A 52 1.964 7.004 -5.414 1.00 17.21 O ATOM 832 CB ASP A 52 -1.001 8.259 -4.804 1.00 21.05 C ATOM 833 CG ASP A 52 -2.187 8.280 -3.828 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.762 7.219 -3.531 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.375 9.332 -3.179 1.00 25.82 O ATOM 0 H ASP A 52 -0.443 9.544 -2.846 1.00 12.71 H new ATOM 0 HA ASP A 52 0.343 6.983 -3.535 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.921 9.213 -5.325 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.148 7.492 -5.564 1.00 21.05 H new ATOM 840 N GLY A 53 1.975 9.285 -5.288 1.00 15.00 N ATOM 841 CA GLY A 53 2.997 9.497 -6.266 1.00 11.77 C ATOM 842 C GLY A 53 4.453 9.579 -5.742 1.00 11.10 C ATOM 843 O GLY A 53 5.350 9.925 -6.511 1.00 11.25 O ATOM 0 H GLY A 53 1.643 10.139 -4.840 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.943 8.689 -6.996 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.774 10.422 -6.797 1.00 11.77 H new ATOM 847 N ARG A 54 4.665 9.263 -4.436 1.00 8.53 N ATOM 848 CA ARG A 54 5.983 9.112 -3.876 1.00 9.05 C ATOM 849 C ARG A 54 6.344 7.616 -4.014 1.00 8.96 C ATOM 850 O ARG A 54 5.492 6.788 -4.361 1.00 11.60 O ATOM 851 CB ARG A 54 6.010 9.414 -2.373 1.00 7.97 C ATOM 852 CG ARG A 54 5.588 10.799 -1.861 1.00 9.62 C ATOM 853 CD ARG A 54 6.355 11.988 -2.567 1.00 12.20 C ATOM 854 NE ARG A 54 5.960 13.354 -2.010 1.00 18.23 N ATOM 855 CZ ARG A 54 6.171 14.501 -2.624 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.882 14.584 -3.754 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.768 15.646 -2.009 1.00 23.38 N ATOM 0 H ARG A 54 3.911 9.112 -3.766 1.00 8.53 H new ATOM 0 HA ARG A 54 6.662 9.793 -4.389 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.372 8.679 -1.883 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.027 9.236 -2.025 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.516 10.925 -2.016 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.763 10.850 -0.786 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.429 11.846 -2.445 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.150 11.963 -3.637 1.00 12.20 H new ATOM 0 HE ARG A 54 5.501 13.381 -1.100 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.281 13.742 -4.168 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.025 15.489 -4.201 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.315 15.602 -1.096 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.919 16.548 -2.461 1.00 23.38 H new ATOM 871 N THR A 55 7.622 7.241 -3.808 1.00 9.05 N ATOM 872 CA THR A 55 8.097 5.906 -4.004 1.00 9.03 C ATOM 873 C THR A 55 8.428 5.159 -2.722 1.00 8.15 C ATOM 874 O THR A 55 8.481 5.724 -1.638 1.00 5.91 O ATOM 875 CB THR A 55 9.278 5.925 -4.896 1.00 11.15 C ATOM 876 OG1 THR A 55 10.442 6.476 -4.305 1.00 11.95 O ATOM 877 CG2 THR A 55 8.965 6.661 -6.216 1.00 11.71 C ATOM 0 H THR A 55 8.346 7.888 -3.495 1.00 9.05 H new ATOM 0 HA THR A 55 7.273 5.358 -4.460 1.00 9.03 H new ATOM 0 HB THR A 55 9.498 4.877 -5.098 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.367 7.453 -4.284 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.850 6.660 -6.852 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.148 6.155 -6.730 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.675 7.689 -5.999 1.00 11.71 H new ATOM 885 N LEU A 56 8.618 3.800 -2.791 1.00 6.91 N ATOM 886 CA LEU A 56 8.928 3.018 -1.598 1.00 8.29 C ATOM 887 C LEU A 56 10.299 3.410 -0.992 1.00 8.05 C ATOM 888 O LEU A 56 10.479 3.397 0.220 1.00 10.17 O ATOM 889 CB LEU A 56 8.998 1.477 -1.867 1.00 6.60 C ATOM 890 CG LEU A 56 7.609 0.777 -1.811 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.630 0.926 -3.008 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.690 -0.727 -1.473 1.00 8.64 C ATOM 0 H LEU A 56 8.558 3.256 -3.652 1.00 6.91 H new ATOM 0 HA LEU A 56 8.109 3.241 -0.915 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.443 1.306 -2.847 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.659 1.017 -1.132 1.00 6.60 H new ATOM 0 HG LEU A 56 7.176 1.367 -1.003 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.713 0.375 -2.799 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.394 1.980 -3.156 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.095 0.528 -3.910 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.685 -1.150 -1.451 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.282 -1.239 -2.231 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.159 -0.856 -0.498 1.00 8.64 H new ATOM 904 N SER A 57 11.244 3.886 -1.862 1.00 8.92 N ATOM 905 CA SER A 57 12.560 4.340 -1.446 1.00 9.00 C ATOM 906 C SER A 57 12.475 5.581 -0.599 1.00 9.44 C ATOM 907 O SER A 57 13.114 5.660 0.470 1.00 10.91 O ATOM 908 CB SER A 57 13.548 4.637 -2.620 1.00 10.32 C ATOM 909 OG SER A 57 14.891 4.915 -2.237 1.00 13.59 O ATOM 0 H SER A 57 11.088 3.955 -2.868 1.00 8.92 H new ATOM 0 HA SER A 57 12.956 3.499 -0.877 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.551 3.781 -3.294 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.167 5.487 -3.186 1.00 10.32 H new ATOM 0 HG SER A 57 15.431 5.086 -3.037 1.00 13.59 H new ATOM 915 N ASP A 58 11.565 6.519 -0.944 1.00 9.11 N ATOM 916 CA ASP A 58 11.344 7.778 -0.268 1.00 7.91 C ATOM 917 C ASP A 58 10.856 7.677 1.178 1.00 9.12 C ATOM 918 O ASP A 58 11.046 8.617 1.891 1.00 8.61 O ATOM 919 CB ASP A 58 10.228 8.637 -1.036 1.00 8.41 C ATOM 920 CG ASP A 58 10.750 9.145 -2.388 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.896 9.700 -2.486 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.031 8.788 -3.347 1.00 11.70 O ATOM 0 H ASP A 58 10.944 6.394 -1.743 1.00 9.11 H new ATOM 0 HA ASP A 58 12.332 8.238 -0.267 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.339 8.026 -1.193 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.928 9.483 -0.418 1.00 8.41 H new ATOM 927 N TYR A 59 10.149 6.537 1.539 1.00 7.97 N ATOM 928 CA TYR A 59 9.738 6.361 2.958 1.00 8.45 C ATOM 929 C TYR A 59 10.547 5.283 3.677 1.00 10.98 C ATOM 930 O TYR A 59 10.244 4.915 4.819 1.00 12.95 O ATOM 931 CB TYR A 59 8.251 5.926 2.989 1.00 7.94 C ATOM 932 CG TYR A 59 7.348 7.000 2.531 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.189 8.240 3.274 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.632 6.869 1.331 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.345 9.220 2.817 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.662 7.813 0.941 1.00 6.52 C ATOM 937 CZ TYR A 59 5.508 8.981 1.728 1.00 6.76 C ATOM 938 OH TYR A 59 4.539 9.929 1.332 1.00 7.63 O ATOM 0 H TYR A 59 9.877 5.787 0.904 1.00 7.97 H new ATOM 0 HA TYR A 59 9.906 7.311 3.465 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.118 5.047 2.358 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.980 5.634 4.004 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.739 8.390 4.191 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.830 6.023 0.690 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.329 10.184 3.304 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.052 7.651 0.065 1.00 6.52 H new ATOM 0 HH TYR A 59 4.853 10.830 1.555 1.00 7.63 H new ATOM 948 N ASN A 60 11.587 4.748 2.960 1.00 12.38 N ATOM 949 CA ASN A 60 12.580 3.825 3.436 1.00 13.94 C ATOM 950 C ASN A 60 12.107 2.398 3.699 1.00 14.16 C ATOM 951 O ASN A 60 12.542 1.764 4.666 1.00 14.26 O ATOM 952 CB ASN A 60 13.453 4.367 4.581 1.00 19.23 C ATOM 953 CG ASN A 60 13.963 5.760 4.205 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.554 6.774 4.810 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.730 5.805 3.131 1.00 24.09 N ATOM 0 H ASN A 60 11.730 4.988 1.979 1.00 12.38 H new ATOM 0 HA ASN A 60 13.227 3.736 2.563 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.875 4.414 5.504 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.292 3.696 4.764 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.022 6.705 2.750 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.031 4.940 2.682 1.00 24.09 H new ATOM 962 N ILE A 61 11.228 1.909 2.787 1.00 11.08 N ATOM 963 CA ILE A 61 10.690 0.574 2.845 1.00 11.78 C ATOM 964 C ILE A 61 11.735 -0.440 2.330 1.00 13.74 C ATOM 965 O ILE A 61 12.523 -0.167 1.422 1.00 14.60 O ATOM 966 CB ILE A 61 9.275 0.543 2.214 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.484 1.650 2.811 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.586 -0.753 2.633 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.057 1.756 2.314 1.00 11.42 C ATOM 0 H ILE A 61 10.886 2.454 1.995 1.00 11.08 H new ATOM 0 HA ILE A 61 10.510 0.246 3.869 1.00 11.78 H new ATOM 0 HB ILE A 61 9.346 0.627 1.130 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.468 1.522 3.893 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.994 2.592 2.609 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.588 -0.792 2.197 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.168 -1.605 2.282 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.509 -0.789 3.720 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.561 2.592 2.807 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.058 1.919 1.236 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.523 0.833 2.541 1.00 11.42 H new ATOM 981 N GLN A 62 11.791 -1.570 3.103 1.00 13.97 N ATOM 982 CA GLN A 62 12.843 -2.607 2.969 1.00 15.52 C ATOM 983 C GLN A 62 12.151 -3.934 2.702 1.00 13.94 C ATOM 984 O GLN A 62 10.932 -4.069 2.804 1.00 12.15 O ATOM 985 CB GLN A 62 13.780 -2.736 4.199 1.00 19.53 C ATOM 986 CG GLN A 62 14.355 -1.374 4.678 1.00 26.38 C ATOM 987 CD GLN A 62 15.436 -0.742 3.824 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.137 -1.478 3.097 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.411 0.607 3.786 1.00 32.71 N ATOM 0 H GLN A 62 11.107 -1.778 3.830 1.00 13.97 H new ATOM 0 HA GLN A 62 13.494 -2.309 2.147 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.231 -3.199 5.019 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.605 -3.404 3.950 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.529 -0.667 4.756 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.754 -1.510 5.683 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.804 1.124 4.422 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.000 1.109 3.121 1.00 32.71 H new ATOM 998 N LYS A 63 12.955 -4.932 2.332 1.00 11.73 N ATOM 999 CA LYS A 63 12.373 -6.235 2.024 1.00 11.97 C ATOM 1000 C LYS A 63 11.592 -6.898 3.151 1.00 10.41 C ATOM 1001 O LYS A 63 11.897 -6.685 4.340 1.00 9.59 O ATOM 1002 CB LYS A 63 13.526 -7.044 1.449 1.00 13.73 C ATOM 1003 CG LYS A 63 14.580 -7.596 2.430 1.00 16.98 C ATOM 1004 CD LYS A 63 15.357 -8.828 1.993 1.00 20.19 C ATOM 1005 CE LYS A 63 16.259 -9.381 3.117 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.455 -10.231 4.104 1.00 25.97 N ATOM 0 H LYS A 63 13.969 -4.869 2.241 1.00 11.73 H new ATOM 0 HA LYS A 63 11.562 -6.141 1.302 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.103 -7.887 0.903 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.042 -6.419 0.720 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.296 -6.801 2.639 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.078 -7.828 3.369 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.658 -9.602 1.677 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.970 -8.580 1.127 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.058 -9.981 2.683 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.733 -8.554 3.647 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.038 -11.027 4.432 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.176 -9.647 4.918 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.603 -10.597 3.633 1.00 25.97 H new ATOM 1020 N GLU A 64 10.523 -7.731 2.814 1.00 10.04 N ATOM 1021 CA GLU A 64 9.670 -8.468 3.787 1.00 10.94 C ATOM 1022 C GLU A 64 8.992 -7.606 4.839 1.00 9.74 C ATOM 1023 O GLU A 64 8.750 -7.979 5.986 1.00 9.42 O ATOM 1024 CB GLU A 64 10.547 -9.551 4.456 1.00 18.31 C ATOM 1025 CG GLU A 64 11.133 -10.504 3.373 1.00 24.16 C ATOM 1026 CD GLU A 64 12.208 -11.433 3.927 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.927 -12.083 4.929 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.275 -11.577 3.262 1.00 31.72 O ATOM 0 H GLU A 64 10.247 -7.894 1.846 1.00 10.04 H new ATOM 0 HA GLU A 64 8.842 -8.899 3.224 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.356 -9.081 5.015 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.954 -10.121 5.171 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.327 -11.101 2.946 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.554 -9.910 2.562 1.00 24.16 H new ATOM 1035 N SER A 65 8.676 -6.370 4.509 1.00 6.85 N ATOM 1036 CA SER A 65 8.134 -5.324 5.401 1.00 6.90 C ATOM 1037 C SER A 65 6.646 -5.340 5.513 1.00 4.72 C ATOM 1038 O SER A 65 5.922 -5.506 4.520 1.00 3.91 O ATOM 1039 CB SER A 65 8.546 -3.912 4.876 1.00 7.28 C ATOM 1040 OG SER A 65 8.361 -2.926 5.883 1.00 10.56 O ATOM 0 H SER A 65 8.792 -6.032 3.554 1.00 6.85 H new ATOM 0 HA SER A 65 8.551 -5.535 6.386 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.590 -3.926 4.562 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.952 -3.658 3.998 1.00 7.28 H new ATOM 0 HG SER A 65 7.785 -2.211 5.539 1.00 10.56 H new ATOM 1046 N THR A 66 6.109 -5.056 6.722 1.00 4.48 N ATOM 1047 CA THR A 66 4.696 -5.081 7.129 1.00 3.80 C ATOM 1048 C THR A 66 4.216 -3.666 6.982 1.00 4.60 C ATOM 1049 O THR A 66 4.714 -2.768 7.594 1.00 5.33 O ATOM 1050 CB THR A 66 4.449 -5.519 8.532 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.105 -6.748 8.775 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.910 -5.589 8.907 1.00 3.40 C ATOM 0 H THR A 66 6.709 -4.781 7.500 1.00 4.48 H new ATOM 0 HA THR A 66 4.175 -5.810 6.508 1.00 3.80 H new ATOM 0 HB THR A 66 4.869 -4.757 9.188 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.940 -7.030 9.699 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.802 -5.914 9.942 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.461 -4.603 8.788 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.407 -6.298 8.249 1.00 3.40 H new ATOM 1060 N LEU A 67 3.184 -3.518 6.119 1.00 4.17 N ATOM 1061 CA LEU A 67 2.558 -2.332 5.626 1.00 3.85 C ATOM 1062 C LEU A 67 1.021 -2.656 6.015 1.00 3.80 C ATOM 1063 O LEU A 67 0.650 -3.770 6.370 1.00 5.54 O ATOM 1064 CB LEU A 67 2.701 -2.279 4.126 1.00 7.18 C ATOM 1065 CG LEU A 67 3.937 -1.521 3.487 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.815 -0.074 3.889 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.297 -2.160 3.874 1.00 11.66 C ATOM 0 H LEU A 67 2.739 -4.345 5.722 1.00 4.17 H new ATOM 0 HA LEU A 67 2.952 -1.392 6.013 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.725 -3.307 3.764 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.795 -1.822 3.727 1.00 7.18 H new ATOM 0 HG LEU A 67 3.919 -1.604 2.400 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.648 0.491 3.471 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.876 0.331 3.512 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.833 0.004 4.976 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.108 -1.600 3.408 1.00 11.66 H new ATOM 0 HD22 LEU A 67 5.415 -2.136 4.957 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.325 -3.193 3.529 1.00 11.66 H new ATOM 1079 N HIS A 68 0.207 -1.619 5.924 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.233 -1.704 6.298 1.00 4.17 C ATOM 1081 C HIS A 68 -2.072 -1.063 5.230 1.00 5.32 C ATOM 1082 O HIS A 68 -1.714 -0.006 4.683 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.486 -0.892 7.605 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.167 -1.687 8.861 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.025 -2.211 9.224 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.985 -1.838 9.957 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.107 -2.652 10.495 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.294 -2.458 10.998 1.00 16.30 N ATOM 0 H HIS A 68 0.499 -0.698 5.596 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.490 -2.755 6.428 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.879 0.013 7.589 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.529 -0.576 7.635 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.016 -1.521 10.005 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.696 -3.122 11.043 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.635 -2.701 11.928 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.220 -1.631 4.988 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.238 -1.044 4.129 1.00 3.97 C ATOM 1098 C LEU A 69 -5.456 -0.655 4.889 1.00 5.07 C ATOM 1099 O LEU A 69 -6.016 -1.414 5.679 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.710 -2.089 3.061 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.966 -1.859 2.227 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.140 -0.491 1.591 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.091 -2.884 1.163 1.00 9.96 C ATOM 0 H LEU A 69 -3.490 -2.531 5.384 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.781 -0.166 3.673 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.885 -2.223 2.362 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.844 -3.037 3.582 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.757 -1.933 2.973 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.073 -0.467 1.029 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.166 0.272 2.369 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.306 -0.294 0.918 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.995 -2.698 0.583 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.222 -2.835 0.507 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.149 -3.874 1.616 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.014 0.599 4.696 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.262 1.044 5.366 1.00 6.26 C ATOM 1117 C VAL A 70 -8.256 1.473 4.333 1.00 9.22 C ATOM 1118 O VAL A 70 -8.011 2.326 3.474 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.070 2.211 6.399 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.316 2.422 7.244 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.889 1.811 7.324 1.00 8.54 C ATOM 0 H VAL A 70 -5.606 1.303 4.081 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.614 0.184 5.936 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.874 3.141 5.866 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.145 3.237 7.947 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.157 2.671 6.597 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.541 1.509 7.795 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.721 2.597 8.060 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.128 0.879 7.837 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.988 1.675 6.726 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.408 0.847 4.347 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.520 1.194 3.473 1.00 16.06 C ATOM 1133 C LEU A 71 -11.103 2.598 3.679 1.00 18.09 C ATOM 1134 O LEU A 71 -11.063 3.158 4.756 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.640 0.104 3.582 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.152 -1.322 3.195 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.354 -2.364 3.174 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.281 -1.334 1.859 1.00 19.57 C ATOM 0 H LEU A 71 -9.610 0.068 4.974 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.105 1.218 2.465 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.021 0.085 4.603 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.473 0.383 2.936 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.471 -1.653 3.979 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.977 -3.349 2.900 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.811 -2.412 4.162 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.099 -2.045 2.445 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.968 -2.354 1.638 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.878 -0.950 1.032 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.401 -0.705 1.993 1.00 19.57 H new