USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 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 12 MET CE :methyl -126:sc= -0.462 (180deg=-1.78!) USER MOD Set 1.2: A 20 GLN : amide:sc= -0.214 K(o=-0.68,f=-0.16) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.059 (180deg=0) USER MOD Single : A 2 SER OG : rot 9:sc= 0.997 USER MOD Single : A 3 SER OG : rot 26:sc= 0.667 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.062) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-5.9!) USER MOD Single : A 25 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.34) USER MOD Single : A 30 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.052) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -0.0903 (180deg=-0.431) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -171:sc= 0.0366 USER MOD Single : A 39 THR OG1 : rot 82:sc= 0.0982 USER MOD Single : A 41 GLN : amide:sc= -5.5! C(o=-5.5!,f=-4.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -5:sc= 0.291 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= 0.219 (180deg=0.119) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.024 (180deg=-0.267) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 28:sc= 1.45 USER MOD Single : A 69 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.2!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -54:sc= 0.0923 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.277 4.775 -24.149 1.00 0.00 N ATOM 2 CA GLY A 1 -1.923 4.506 -22.877 1.00 0.00 C ATOM 3 C GLY A 1 -2.471 3.096 -22.792 1.00 0.00 C ATOM 4 O GLY A 1 -2.044 2.211 -23.533 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.446 5.381 -23.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.976 3.879 -24.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.945 5.258 -24.783 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.208 4.664 -22.069 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.735 5.218 -22.728 1.00 0.00 H new ATOM 8 N SER A 2 -3.419 2.884 -21.884 1.00 0.00 N ATOM 9 CA SER A 2 -4.022 1.570 -21.700 1.00 0.00 C ATOM 10 C SER A 2 -5.408 1.690 -21.075 1.00 0.00 C ATOM 11 O SER A 2 -5.544 2.041 -19.903 1.00 0.00 O ATOM 12 CB SER A 2 -3.128 0.693 -20.821 1.00 0.00 C ATOM 13 OG SER A 2 -3.130 1.148 -19.479 1.00 0.00 O ATOM 0 H SER A 2 -3.786 3.606 -21.264 1.00 0.00 H new ATOM 0 HA SER A 2 -4.124 1.105 -22.680 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.475 -0.339 -20.859 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.110 0.701 -21.210 1.00 0.00 H new ATOM 0 HG SER A 2 -3.814 1.841 -19.370 1.00 0.00 H new ATOM 19 N SER A 3 -6.435 1.397 -21.867 1.00 0.00 N ATOM 20 CA SER A 3 -7.812 1.476 -21.394 1.00 0.00 C ATOM 21 C SER A 3 -7.981 0.713 -20.083 1.00 0.00 C ATOM 22 O SER A 3 -7.869 -0.511 -20.046 1.00 0.00 O ATOM 23 CB SER A 3 -8.769 0.919 -22.449 1.00 0.00 C ATOM 24 OG SER A 3 -8.523 -0.457 -22.685 1.00 0.00 O ATOM 0 H SER A 3 -6.339 1.103 -22.839 1.00 0.00 H new ATOM 0 HA SER A 3 -8.049 2.525 -21.217 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.799 1.056 -22.119 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.655 1.477 -23.379 1.00 0.00 H new ATOM 0 HG SER A 3 -8.120 -0.859 -21.887 1.00 0.00 H new ATOM 30 N GLY A 4 -8.251 1.448 -19.008 1.00 0.00 N ATOM 31 CA GLY A 4 -8.431 0.824 -17.710 1.00 0.00 C ATOM 32 C GLY A 4 -7.384 -0.234 -17.425 1.00 0.00 C ATOM 33 O GLY A 4 -6.395 -0.349 -18.148 1.00 0.00 O ATOM 0 H GLY A 4 -8.348 2.463 -19.013 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.391 1.589 -16.934 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.422 0.372 -17.662 1.00 0.00 H new ATOM 37 N SER A 5 -7.600 -1.008 -16.366 1.00 0.00 N ATOM 38 CA SER A 5 -6.664 -2.059 -15.984 1.00 0.00 C ATOM 39 C SER A 5 -7.408 -3.290 -15.475 1.00 0.00 C ATOM 40 O SER A 5 -8.455 -3.177 -14.838 1.00 0.00 O ATOM 41 CB SER A 5 -5.704 -1.548 -14.908 1.00 0.00 C ATOM 42 OG SER A 5 -4.460 -2.224 -14.972 1.00 0.00 O ATOM 0 H SER A 5 -8.415 -0.927 -15.758 1.00 0.00 H new ATOM 0 HA SER A 5 -6.092 -2.342 -16.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.546 -0.477 -15.036 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.148 -1.690 -13.923 1.00 0.00 H new ATOM 0 HG SER A 5 -3.864 -1.878 -14.275 1.00 0.00 H new ATOM 48 N SER A 6 -6.858 -4.466 -15.762 1.00 0.00 N ATOM 49 CA SER A 6 -7.470 -5.719 -15.338 1.00 0.00 C ATOM 50 C SER A 6 -6.456 -6.602 -14.616 1.00 0.00 C ATOM 51 O SER A 6 -5.248 -6.447 -14.788 1.00 0.00 O ATOM 52 CB SER A 6 -8.044 -6.465 -16.544 1.00 0.00 C ATOM 53 OG SER A 6 -9.374 -6.053 -16.812 1.00 0.00 O ATOM 0 H SER A 6 -5.990 -4.577 -16.286 1.00 0.00 H new ATOM 0 HA SER A 6 -8.279 -5.483 -14.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.420 -6.283 -17.419 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.023 -7.538 -16.355 1.00 0.00 H new ATOM 0 HG SER A 6 -9.718 -6.543 -17.588 1.00 0.00 H new ATOM 59 N GLY A 7 -6.958 -7.530 -13.807 1.00 0.00 N ATOM 60 CA GLY A 7 -6.084 -8.424 -13.071 1.00 0.00 C ATOM 61 C GLY A 7 -5.330 -7.716 -11.963 1.00 0.00 C ATOM 62 O GLY A 7 -5.888 -7.442 -10.900 1.00 0.00 O ATOM 0 H GLY A 7 -7.955 -7.678 -13.648 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.675 -9.234 -12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.371 -8.878 -13.759 1.00 0.00 H new ATOM 66 N ILE A 8 -4.059 -7.420 -12.211 1.00 0.00 N ATOM 67 CA ILE A 8 -3.227 -6.740 -11.225 1.00 0.00 C ATOM 68 C ILE A 8 -3.435 -5.230 -11.280 1.00 0.00 C ATOM 69 O ILE A 8 -2.868 -4.544 -12.131 1.00 0.00 O ATOM 70 CB ILE A 8 -1.734 -7.049 -11.439 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.485 -8.556 -11.343 1.00 0.00 C ATOM 72 CG2 ILE A 8 -0.887 -6.301 -10.420 1.00 0.00 C ATOM 73 CD1 ILE A 8 -0.217 -9.004 -12.037 1.00 0.00 C ATOM 0 H ILE A 8 -3.583 -7.640 -13.086 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.529 -7.112 -10.246 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.448 -6.714 -12.436 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.435 -8.842 -10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.334 -9.085 -11.777 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.166 -6.530 -10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.047 -5.229 -10.531 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.172 -6.608 -9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.104 -10.083 -11.928 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.272 -8.750 -13.095 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.640 -8.503 -11.588 1.00 0.00 H new ATOM 85 N LYS A 9 -4.248 -4.717 -10.363 1.00 0.00 N ATOM 86 CA LYS A 9 -4.529 -3.287 -10.303 1.00 0.00 C ATOM 87 C LYS A 9 -3.366 -2.530 -9.670 1.00 0.00 C ATOM 88 O LYS A 9 -2.973 -2.809 -8.537 1.00 0.00 O ATOM 89 CB LYS A 9 -5.811 -3.031 -9.507 1.00 0.00 C ATOM 90 CG LYS A 9 -6.504 -1.730 -9.873 1.00 0.00 C ATOM 91 CD LYS A 9 -7.412 -1.902 -11.079 1.00 0.00 C ATOM 92 CE LYS A 9 -8.292 -0.680 -11.292 1.00 0.00 C ATOM 93 NZ LYS A 9 -9.387 -0.601 -10.286 1.00 0.00 N ATOM 0 H LYS A 9 -4.724 -5.270 -9.651 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.663 -2.926 -11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.501 -3.859 -9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.572 -3.019 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.089 -1.377 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.756 -0.966 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.808 -2.076 -11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.038 -2.783 -10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.681 0.221 -11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.721 -0.712 -12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.051 0.154 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.892 -1.509 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.984 -0.392 -9.350 1.00 0.00 H new ATOM 107 N LYS A 10 -2.819 -1.571 -10.409 1.00 0.00 N ATOM 108 CA LYS A 10 -1.702 -0.771 -9.919 1.00 0.00 C ATOM 109 C LYS A 10 -2.173 0.246 -8.885 1.00 0.00 C ATOM 110 O LYS A 10 -3.265 0.807 -8.983 1.00 0.00 O ATOM 111 CB LYS A 10 -1.015 -0.051 -11.082 1.00 0.00 C ATOM 112 CG LYS A 10 -1.903 0.966 -11.777 1.00 0.00 C ATOM 113 CD LYS A 10 -1.138 1.746 -12.833 1.00 0.00 C ATOM 114 CE LYS A 10 -2.076 2.379 -13.849 1.00 0.00 C ATOM 115 NZ LYS A 10 -1.336 2.948 -15.009 1.00 0.00 N ATOM 0 H LYS A 10 -3.131 -1.329 -11.349 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.988 -1.443 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.122 0.452 -10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.684 -0.790 -11.811 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.747 0.456 -12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.313 1.656 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.543 2.523 -12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.442 1.081 -13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.786 1.631 -14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.656 3.166 -13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.011 3.370 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.677 3.680 -14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.803 2.193 -15.485 1.00 0.00 H new ATOM 129 N PRO A 11 -1.331 0.493 -7.870 1.00 0.00 N ATOM 130 CA PRO A 11 -1.640 1.445 -6.799 1.00 0.00 C ATOM 131 C PRO A 11 -1.629 2.890 -7.288 1.00 0.00 C ATOM 132 O PRO A 11 -0.944 3.223 -8.254 1.00 0.00 O ATOM 133 CB PRO A 11 -0.517 1.215 -5.785 1.00 0.00 C ATOM 134 CG PRO A 11 0.613 0.671 -6.589 1.00 0.00 C ATOM 135 CD PRO A 11 -0.014 -0.139 -7.690 1.00 0.00 C ATOM 0 HA PRO A 11 -2.639 1.290 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.237 2.143 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.823 0.515 -5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.225 1.476 -6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.267 0.053 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.578 -0.101 -8.604 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.107 -1.189 -7.414 1.00 0.00 H new ATOM 143 N MET A 12 -2.393 3.743 -6.613 1.00 0.00 N ATOM 144 CA MET A 12 -2.469 5.153 -6.978 1.00 0.00 C ATOM 145 C MET A 12 -1.089 5.802 -6.932 1.00 0.00 C ATOM 146 O MET A 12 -0.441 5.829 -5.886 1.00 0.00 O ATOM 147 CB MET A 12 -3.426 5.894 -6.042 1.00 0.00 C ATOM 148 CG MET A 12 -3.008 5.841 -4.581 1.00 0.00 C ATOM 149 SD MET A 12 -4.366 6.220 -3.457 1.00 0.00 S ATOM 150 CE MET A 12 -4.798 7.874 -3.992 1.00 0.00 C ATOM 0 H MET A 12 -2.968 3.483 -5.811 1.00 0.00 H new ATOM 0 HA MET A 12 -2.848 5.218 -7.998 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.493 6.936 -6.355 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.423 5.466 -6.142 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.620 4.848 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.195 6.547 -4.414 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.780 8.549 -3.137 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.080 8.214 -4.738 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.797 7.866 -4.428 1.00 0.00 H new ATOM 160 N SER A 13 -0.647 6.324 -8.072 1.00 0.00 N ATOM 161 CA SER A 13 0.658 6.969 -8.161 1.00 0.00 C ATOM 162 C SER A 13 0.615 8.367 -7.552 1.00 0.00 C ATOM 163 O SER A 13 -0.458 8.908 -7.287 1.00 0.00 O ATOM 164 CB SER A 13 1.111 7.049 -9.620 1.00 0.00 C ATOM 165 OG SER A 13 1.331 5.757 -10.158 1.00 0.00 O ATOM 0 H SER A 13 -1.173 6.313 -8.946 1.00 0.00 H new ATOM 0 HA SER A 13 1.373 6.369 -7.598 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.356 7.568 -10.210 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.027 7.635 -9.688 1.00 0.00 H new ATOM 0 HG SER A 13 1.618 5.836 -11.092 1.00 0.00 H new ATOM 171 N ALA A 14 1.791 8.946 -7.334 1.00 0.00 N ATOM 172 CA ALA A 14 1.890 10.282 -6.758 1.00 0.00 C ATOM 173 C ALA A 14 0.923 11.245 -7.438 1.00 0.00 C ATOM 174 O ALA A 14 0.312 12.091 -6.785 1.00 0.00 O ATOM 175 CB ALA A 14 3.316 10.799 -6.866 1.00 0.00 C ATOM 0 H ALA A 14 2.689 8.511 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 14 1.618 10.218 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.375 11.797 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.987 10.129 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.609 10.841 -7.915 1.00 0.00 H new ATOM 181 N SER A 15 0.789 11.112 -8.754 1.00 0.00 N ATOM 182 CA SER A 15 -0.100 11.974 -9.523 1.00 0.00 C ATOM 183 C SER A 15 -1.474 12.062 -8.866 1.00 0.00 C ATOM 184 O SER A 15 -2.134 13.099 -8.919 1.00 0.00 O ATOM 185 CB SER A 15 -0.240 11.451 -10.954 1.00 0.00 C ATOM 186 OG SER A 15 -1.170 12.225 -11.692 1.00 0.00 O ATOM 0 H SER A 15 1.285 10.415 -9.310 1.00 0.00 H new ATOM 0 HA SER A 15 0.336 12.973 -9.549 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.731 11.474 -11.449 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.563 10.410 -10.934 1.00 0.00 H new ATOM 0 HG SER A 15 -1.240 11.871 -12.603 1.00 0.00 H new ATOM 192 N ALA A 16 -1.898 10.965 -8.247 1.00 0.00 N ATOM 193 CA ALA A 16 -3.192 10.918 -7.577 1.00 0.00 C ATOM 194 C ALA A 16 -3.072 11.350 -6.119 1.00 0.00 C ATOM 195 O ALA A 16 -3.947 12.037 -5.590 1.00 0.00 O ATOM 196 CB ALA A 16 -3.782 9.519 -7.667 1.00 0.00 C ATOM 0 H ALA A 16 -1.364 10.097 -8.196 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.860 11.616 -8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.748 9.498 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.913 9.246 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.108 8.808 -7.189 1.00 0.00 H new ATOM 202 N LEU A 17 -1.984 10.943 -5.474 1.00 0.00 N ATOM 203 CA LEU A 17 -1.749 11.288 -4.076 1.00 0.00 C ATOM 204 C LEU A 17 -1.809 12.798 -3.871 1.00 0.00 C ATOM 205 O LEU A 17 -2.704 13.309 -3.197 1.00 0.00 O ATOM 206 CB LEU A 17 -0.391 10.753 -3.620 1.00 0.00 C ATOM 207 CG LEU A 17 -0.303 9.242 -3.404 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.056 8.861 -2.838 1.00 0.00 C ATOM 209 CD2 LEU A 17 -1.418 8.768 -2.483 1.00 0.00 C ATOM 0 H LEU A 17 -1.251 10.374 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.534 10.827 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.357 11.038 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.122 11.249 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.422 8.750 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.099 7.782 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.838 9.164 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.206 9.363 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.339 7.690 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.331 9.268 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.384 9.005 -2.929 1.00 0.00 H new ATOM 221 N PHE A 18 -0.851 13.508 -4.457 1.00 0.00 N ATOM 222 CA PHE A 18 -0.795 14.961 -4.339 1.00 0.00 C ATOM 223 C PHE A 18 -2.198 15.560 -4.332 1.00 0.00 C ATOM 224 O PHE A 18 -2.479 16.502 -3.590 1.00 0.00 O ATOM 225 CB PHE A 18 0.020 15.556 -5.490 1.00 0.00 C ATOM 226 CG PHE A 18 -0.143 17.042 -5.633 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.216 17.571 -6.331 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.779 17.911 -5.070 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.369 18.938 -6.465 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.631 19.279 -5.200 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.443 19.793 -5.899 1.00 0.00 C ATOM 0 H PHE A 18 -0.103 13.101 -5.018 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.310 15.206 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.074 15.327 -5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.277 15.074 -6.422 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.942 16.907 -6.776 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.622 17.515 -4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.211 19.337 -7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.355 19.946 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.559 20.862 -6.003 1.00 0.00 H new ATOM 241 N VAL A 19 -3.076 15.008 -5.164 1.00 0.00 N ATOM 242 CA VAL A 19 -4.450 15.487 -5.253 1.00 0.00 C ATOM 243 C VAL A 19 -5.200 15.251 -3.947 1.00 0.00 C ATOM 244 O VAL A 19 -5.686 16.193 -3.321 1.00 0.00 O ATOM 245 CB VAL A 19 -5.211 14.798 -6.401 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.614 15.370 -6.532 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.444 14.939 -7.708 1.00 0.00 C ATOM 0 H VAL A 19 -2.860 14.229 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.400 16.558 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.299 13.736 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.136 14.871 -7.348 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.160 15.212 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.553 16.438 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.996 14.446 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.324 15.996 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.463 14.476 -7.606 1.00 0.00 H new ATOM 257 N GLN A 20 -5.291 13.988 -3.543 1.00 0.00 N ATOM 258 CA GLN A 20 -5.983 13.629 -2.311 1.00 0.00 C ATOM 259 C GLN A 20 -5.582 14.559 -1.171 1.00 0.00 C ATOM 260 O GLN A 20 -6.323 14.722 -0.201 1.00 0.00 O ATOM 261 CB GLN A 20 -5.676 12.178 -1.934 1.00 0.00 C ATOM 262 CG GLN A 20 -6.738 11.542 -1.052 1.00 0.00 C ATOM 263 CD GLN A 20 -7.836 10.870 -1.853 1.00 0.00 C ATOM 264 OE1 GLN A 20 -9.004 11.249 -1.766 1.00 0.00 O ATOM 265 NE2 GLN A 20 -7.465 9.865 -2.639 1.00 0.00 N ATOM 0 H GLN A 20 -4.895 13.197 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.055 13.734 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.571 11.589 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.717 12.140 -1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.269 10.807 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.177 12.306 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.485 9.584 -2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.160 9.374 -3.201 1.00 0.00 H new ATOM 274 N ASP A 21 -4.407 15.165 -1.293 1.00 0.00 N ATOM 275 CA ASP A 21 -3.908 16.080 -0.273 1.00 0.00 C ATOM 276 C ASP A 21 -4.574 17.447 -0.396 1.00 0.00 C ATOM 277 O ASP A 21 -5.223 17.919 0.538 1.00 0.00 O ATOM 278 CB ASP A 21 -2.390 16.227 -0.387 1.00 0.00 C ATOM 279 CG ASP A 21 -1.665 14.909 -0.193 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.685 14.077 -1.124 1.00 0.00 O ATOM 281 OD2 ASP A 21 -1.076 14.711 0.890 1.00 0.00 O ATOM 0 H ASP A 21 -3.781 15.039 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.152 15.663 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.140 16.635 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.040 16.944 0.356 1.00 0.00 H new ATOM 286 N HIS A 22 -4.408 18.078 -1.554 1.00 0.00 N ATOM 287 CA HIS A 22 -4.993 19.392 -1.799 1.00 0.00 C ATOM 288 C HIS A 22 -6.447 19.264 -2.245 1.00 0.00 C ATOM 289 O HIS A 22 -7.102 20.261 -2.549 1.00 0.00 O ATOM 290 CB HIS A 22 -4.186 20.143 -2.858 1.00 0.00 C ATOM 291 CG HIS A 22 -2.707 20.096 -2.629 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.076 20.811 -1.632 1.00 0.00 N ATOM 293 CD2 HIS A 22 -1.733 19.412 -3.274 1.00 0.00 C ATOM 294 CE1 HIS A 22 -0.778 20.570 -1.675 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.543 19.724 -2.662 1.00 0.00 N ATOM 0 H HIS A 22 -3.874 17.701 -2.337 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.966 19.955 -0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.407 19.721 -3.838 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.509 21.184 -2.879 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.866 18.745 -4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.035 20.993 -1.015 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.373 19.361 -2.927 1.00 0.00 H new ATOM 304 N ARG A 23 -6.943 18.032 -2.284 1.00 0.00 N ATOM 305 CA ARG A 23 -8.318 17.775 -2.695 1.00 0.00 C ATOM 306 C ARG A 23 -9.305 18.393 -1.709 1.00 0.00 C ATOM 307 O ARG A 23 -10.142 19.221 -2.068 1.00 0.00 O ATOM 308 CB ARG A 23 -8.566 16.270 -2.806 1.00 0.00 C ATOM 309 CG ARG A 23 -9.995 15.862 -2.483 1.00 0.00 C ATOM 310 CD ARG A 23 -10.409 14.621 -3.257 1.00 0.00 C ATOM 311 NE ARG A 23 -11.749 14.170 -2.893 1.00 0.00 N ATOM 312 CZ ARG A 23 -12.220 12.961 -3.175 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.463 12.085 -3.822 1.00 0.00 N ATOM 314 NH2 ARG A 23 -13.451 12.625 -2.810 1.00 0.00 N ATOM 0 H ARG A 23 -6.413 17.196 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.471 18.235 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.324 15.944 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.887 15.748 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.087 15.673 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.671 16.683 -2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.376 14.833 -4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.694 13.821 -3.068 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.357 14.820 -2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.516 12.339 -4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.827 11.157 -4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.036 13.296 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.812 11.696 -3.027 1.00 0.00 H new ATOM 328 N PRO A 24 -9.207 17.981 -0.436 1.00 0.00 N ATOM 329 CA PRO A 24 -10.083 18.481 0.627 1.00 0.00 C ATOM 330 C PRO A 24 -9.800 19.938 0.975 1.00 0.00 C ATOM 331 O PRO A 24 -10.715 20.759 1.039 1.00 0.00 O ATOM 332 CB PRO A 24 -9.752 17.574 1.815 1.00 0.00 C ATOM 333 CG PRO A 24 -8.362 17.104 1.557 1.00 0.00 C ATOM 334 CD PRO A 24 -8.233 16.996 0.063 1.00 0.00 C ATOM 0 HA PRO A 24 -11.133 18.458 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.818 18.117 2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.447 16.737 1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.632 17.804 1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.180 16.141 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.221 17.227 -0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.463 15.990 -0.288 1.00 0.00 H new ATOM 342 N GLN A 25 -8.527 20.253 1.196 1.00 0.00 N ATOM 343 CA GLN A 25 -8.125 21.612 1.537 1.00 0.00 C ATOM 344 C GLN A 25 -8.731 22.619 0.565 1.00 0.00 C ATOM 345 O GLN A 25 -9.011 23.760 0.931 1.00 0.00 O ATOM 346 CB GLN A 25 -6.600 21.732 1.530 1.00 0.00 C ATOM 347 CG GLN A 25 -5.931 21.057 2.716 1.00 0.00 C ATOM 348 CD GLN A 25 -6.577 21.425 4.037 1.00 0.00 C ATOM 349 OE1 GLN A 25 -6.950 20.553 4.823 1.00 0.00 O ATOM 350 NE2 GLN A 25 -6.712 22.722 4.290 1.00 0.00 N ATOM 0 H GLN A 25 -7.757 19.586 1.145 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.495 21.833 2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.214 21.296 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.327 22.787 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.972 19.976 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.877 21.335 2.741 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.389 23.411 3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.139 23.029 5.164 1.00 0.00 H new ATOM 359 N PHE A 26 -8.930 22.189 -0.677 1.00 0.00 N ATOM 360 CA PHE A 26 -9.502 23.053 -1.703 1.00 0.00 C ATOM 361 C PHE A 26 -11.007 23.208 -1.507 1.00 0.00 C ATOM 362 O PHE A 26 -11.508 24.314 -1.302 1.00 0.00 O ATOM 363 CB PHE A 26 -9.213 22.488 -3.095 1.00 0.00 C ATOM 364 CG PHE A 26 -9.429 23.480 -4.202 1.00 0.00 C ATOM 365 CD1 PHE A 26 -8.482 24.454 -4.472 1.00 0.00 C ATOM 366 CD2 PHE A 26 -10.581 23.439 -4.971 1.00 0.00 C ATOM 367 CE1 PHE A 26 -8.678 25.369 -5.490 1.00 0.00 C ATOM 368 CE2 PHE A 26 -10.783 24.351 -5.990 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.830 25.317 -6.249 1.00 0.00 C ATOM 0 H PHE A 26 -8.704 21.247 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.039 24.036 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.182 22.137 -3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.851 21.621 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.580 24.499 -3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.329 22.686 -4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.931 26.123 -5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.685 24.308 -6.583 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.986 26.031 -7.044 1.00 0.00 H new ATOM 379 N LEU A 27 -11.724 22.091 -1.573 1.00 0.00 N ATOM 380 CA LEU A 27 -13.173 22.101 -1.404 1.00 0.00 C ATOM 381 C LEU A 27 -13.569 22.860 -0.141 1.00 0.00 C ATOM 382 O LEU A 27 -14.547 23.607 -0.136 1.00 0.00 O ATOM 383 CB LEU A 27 -13.708 20.669 -1.341 1.00 0.00 C ATOM 384 CG LEU A 27 -13.864 19.951 -2.682 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.933 18.446 -2.477 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.103 20.449 -3.412 1.00 0.00 C ATOM 0 H LEU A 27 -11.326 21.167 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.611 22.609 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.040 20.080 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.679 20.687 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.991 20.174 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.044 17.952 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.017 18.102 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.787 18.204 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.198 19.927 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.986 20.257 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.013 21.520 -3.593 1.00 0.00 H new ATOM 398 N ILE A 28 -12.801 22.664 0.925 1.00 0.00 N ATOM 399 CA ILE A 28 -13.070 23.333 2.192 1.00 0.00 C ATOM 400 C ILE A 28 -13.049 24.849 2.029 1.00 0.00 C ATOM 401 O ILE A 28 -14.021 25.531 2.353 1.00 0.00 O ATOM 402 CB ILE A 28 -12.046 22.931 3.270 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.271 21.480 3.702 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.140 23.866 4.466 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.071 20.859 4.381 1.00 0.00 C ATOM 0 H ILE A 28 -11.988 22.048 0.937 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.064 23.017 2.510 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.045 23.014 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.123 21.439 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.531 20.885 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.410 23.568 5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.935 24.888 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.142 23.813 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.302 19.831 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.222 20.867 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.823 21.430 5.275 1.00 0.00 H new ATOM 417 N GLU A 29 -11.936 25.369 1.521 1.00 0.00 N ATOM 418 CA GLU A 29 -11.790 26.805 1.314 1.00 0.00 C ATOM 419 C GLU A 29 -12.819 27.317 0.309 1.00 0.00 C ATOM 420 O GLU A 29 -13.377 28.401 0.474 1.00 0.00 O ATOM 421 CB GLU A 29 -10.378 27.132 0.825 1.00 0.00 C ATOM 422 CG GLU A 29 -9.348 27.199 1.940 1.00 0.00 C ATOM 423 CD GLU A 29 -8.075 27.906 1.517 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.292 27.309 0.748 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.861 29.056 1.955 1.00 0.00 O ATOM 0 H GLU A 29 -11.123 24.818 1.246 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.960 27.303 2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.069 26.377 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.396 28.088 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.779 27.717 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.106 26.188 2.267 1.00 0.00 H new ATOM 432 N ASN A 30 -13.063 26.529 -0.733 1.00 0.00 N ATOM 433 CA ASN A 30 -14.023 26.902 -1.765 1.00 0.00 C ATOM 434 C ASN A 30 -15.016 25.771 -2.019 1.00 0.00 C ATOM 435 O ASN A 30 -14.884 24.997 -2.967 1.00 0.00 O ATOM 436 CB ASN A 30 -13.295 27.257 -3.063 1.00 0.00 C ATOM 437 CG ASN A 30 -12.018 28.037 -2.816 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.000 29.265 -2.909 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.943 27.326 -2.498 1.00 0.00 N ATOM 0 H ASN A 30 -12.609 25.628 -0.885 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.575 27.774 -1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.059 26.342 -3.606 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.958 27.843 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.055 27.796 -2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.005 26.310 -2.432 1.00 0.00 H new ATOM 446 N PRO A 31 -16.034 25.673 -1.152 1.00 0.00 N ATOM 447 CA PRO A 31 -17.070 24.642 -1.261 1.00 0.00 C ATOM 448 C PRO A 31 -17.985 24.864 -2.461 1.00 0.00 C ATOM 449 O PRO A 31 -18.653 23.939 -2.925 1.00 0.00 O ATOM 450 CB PRO A 31 -17.856 24.789 0.044 1.00 0.00 C ATOM 451 CG PRO A 31 -17.640 26.203 0.459 1.00 0.00 C ATOM 452 CD PRO A 31 -16.254 26.562 0.002 1.00 0.00 C ATOM 0 HA PRO A 31 -16.643 23.650 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.915 24.578 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.496 24.094 0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.382 26.860 0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.735 26.311 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.184 27.612 -0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.516 26.393 0.786 1.00 0.00 H new ATOM 460 N LYS A 32 -18.010 26.095 -2.960 1.00 0.00 N ATOM 461 CA LYS A 32 -18.841 26.438 -4.108 1.00 0.00 C ATOM 462 C LYS A 32 -18.472 25.590 -5.321 1.00 0.00 C ATOM 463 O LYS A 32 -19.239 25.489 -6.279 1.00 0.00 O ATOM 464 CB LYS A 32 -18.689 27.923 -4.447 1.00 0.00 C ATOM 465 CG LYS A 32 -17.256 28.340 -4.729 1.00 0.00 C ATOM 466 CD LYS A 32 -17.198 29.639 -5.514 1.00 0.00 C ATOM 467 CE LYS A 32 -17.166 30.848 -4.591 1.00 0.00 C ATOM 468 NZ LYS A 32 -15.901 30.914 -3.807 1.00 0.00 N ATOM 0 H LYS A 32 -17.464 26.872 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.879 26.234 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -19.303 28.153 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.075 28.517 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.719 28.458 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.750 27.553 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.313 29.642 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.064 29.706 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.276 31.758 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.015 30.806 -3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.723 31.897 -3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.985 30.314 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.111 30.577 -4.394 1.00 0.00 H new ATOM 482 N THR A 33 -17.292 24.978 -5.273 1.00 0.00 N ATOM 483 CA THR A 33 -16.822 24.137 -6.367 1.00 0.00 C ATOM 484 C THR A 33 -17.248 22.687 -6.168 1.00 0.00 C ATOM 485 O THR A 33 -17.308 22.197 -5.040 1.00 0.00 O ATOM 486 CB THR A 33 -15.289 24.196 -6.501 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.885 25.498 -6.940 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.791 23.148 -7.484 1.00 0.00 C ATOM 0 H THR A 33 -16.645 25.049 -4.488 1.00 0.00 H new ATOM 0 HA THR A 33 -17.275 24.523 -7.280 1.00 0.00 H new ATOM 0 HB THR A 33 -14.853 23.991 -5.523 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.909 25.528 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.706 23.209 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.074 22.156 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.236 23.327 -8.463 1.00 0.00 H new ATOM 496 N SER A 34 -17.542 22.005 -7.270 1.00 0.00 N ATOM 497 CA SER A 34 -17.965 20.611 -7.216 1.00 0.00 C ATOM 498 C SER A 34 -16.848 19.725 -6.674 1.00 0.00 C ATOM 499 O SER A 34 -15.793 20.214 -6.268 1.00 0.00 O ATOM 500 CB SER A 34 -18.384 20.129 -8.607 1.00 0.00 C ATOM 501 OG SER A 34 -17.275 19.616 -9.324 1.00 0.00 O ATOM 0 H SER A 34 -17.495 22.395 -8.211 1.00 0.00 H new ATOM 0 HA SER A 34 -18.819 20.542 -6.542 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.149 19.358 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.830 20.954 -9.162 1.00 0.00 H new ATOM 0 HG SER A 34 -17.537 19.445 -10.253 1.00 0.00 H new ATOM 507 N LEU A 35 -17.088 18.418 -6.670 1.00 0.00 N ATOM 508 CA LEU A 35 -16.103 17.461 -6.177 1.00 0.00 C ATOM 509 C LEU A 35 -15.064 17.149 -7.249 1.00 0.00 C ATOM 510 O LEU A 35 -13.864 17.314 -7.031 1.00 0.00 O ATOM 511 CB LEU A 35 -16.795 16.172 -5.730 1.00 0.00 C ATOM 512 CG LEU A 35 -16.003 15.284 -4.769 1.00 0.00 C ATOM 513 CD1 LEU A 35 -14.537 15.236 -5.171 1.00 0.00 C ATOM 514 CD2 LEU A 35 -16.150 15.783 -3.339 1.00 0.00 C ATOM 0 H LEU A 35 -17.956 17.997 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.594 17.908 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.739 16.436 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.038 15.587 -6.617 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.406 14.273 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.990 14.600 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.449 14.831 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.120 16.243 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.580 15.140 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.774 16.804 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.202 15.764 -3.053 1.00 0.00 H new ATOM 526 N GLU A 36 -15.534 16.698 -8.408 1.00 0.00 N ATOM 527 CA GLU A 36 -14.644 16.364 -9.514 1.00 0.00 C ATOM 528 C GLU A 36 -13.899 17.602 -10.006 1.00 0.00 C ATOM 529 O GLU A 36 -12.679 17.581 -10.169 1.00 0.00 O ATOM 530 CB GLU A 36 -15.437 15.743 -10.666 1.00 0.00 C ATOM 531 CG GLU A 36 -16.597 16.603 -11.141 1.00 0.00 C ATOM 532 CD GLU A 36 -16.167 17.664 -12.135 1.00 0.00 C ATOM 533 OE1 GLU A 36 -15.552 17.302 -13.160 1.00 0.00 O ATOM 534 OE2 GLU A 36 -16.445 18.856 -11.889 1.00 0.00 O ATOM 0 H GLU A 36 -16.525 16.556 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.913 15.640 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.763 15.562 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.821 14.773 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.353 15.966 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.064 17.084 -10.281 1.00 0.00 H new ATOM 541 N ASP A 37 -14.641 18.679 -10.239 1.00 0.00 N ATOM 542 CA ASP A 37 -14.052 19.926 -10.711 1.00 0.00 C ATOM 543 C ASP A 37 -12.741 20.216 -9.987 1.00 0.00 C ATOM 544 O ASP A 37 -11.675 20.247 -10.602 1.00 0.00 O ATOM 545 CB ASP A 37 -15.028 21.086 -10.507 1.00 0.00 C ATOM 546 CG ASP A 37 -14.593 22.344 -11.232 1.00 0.00 C ATOM 547 OD1 ASP A 37 -14.051 22.226 -12.351 1.00 0.00 O ATOM 548 OD2 ASP A 37 -14.794 23.446 -10.681 1.00 0.00 O ATOM 0 H ASP A 37 -15.652 18.713 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.843 19.820 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.017 20.791 -10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.119 21.297 -9.442 1.00 0.00 H new ATOM 553 N ALA A 38 -12.827 20.427 -8.678 1.00 0.00 N ATOM 554 CA ALA A 38 -11.648 20.713 -7.870 1.00 0.00 C ATOM 555 C ALA A 38 -10.490 19.795 -8.246 1.00 0.00 C ATOM 556 O ALA A 38 -9.332 20.214 -8.263 1.00 0.00 O ATOM 557 CB ALA A 38 -11.975 20.575 -6.391 1.00 0.00 C ATOM 0 H ALA A 38 -13.702 20.405 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.342 21.740 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.085 20.791 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.766 21.277 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.308 19.558 -6.185 1.00 0.00 H new ATOM 563 N THR A 39 -10.809 18.540 -8.545 1.00 0.00 N ATOM 564 CA THR A 39 -9.795 17.562 -8.919 1.00 0.00 C ATOM 565 C THR A 39 -9.243 17.846 -10.311 1.00 0.00 C ATOM 566 O THR A 39 -8.034 17.784 -10.536 1.00 0.00 O ATOM 567 CB THR A 39 -10.357 16.128 -8.884 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.219 15.968 -7.752 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.231 15.107 -8.820 1.00 0.00 C ATOM 0 H THR A 39 -11.762 18.177 -8.535 1.00 0.00 H new ATOM 0 HA THR A 39 -8.990 17.647 -8.189 1.00 0.00 H new ATOM 0 HB THR A 39 -10.925 15.961 -9.799 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.106 16.328 -7.962 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.652 14.102 -8.796 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.594 15.213 -9.698 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.639 15.274 -7.920 1.00 0.00 H new ATOM 577 N LEU A 40 -10.137 18.158 -11.244 1.00 0.00 N ATOM 578 CA LEU A 40 -9.739 18.452 -12.616 1.00 0.00 C ATOM 579 C LEU A 40 -8.695 19.564 -12.654 1.00 0.00 C ATOM 580 O LEU A 40 -7.739 19.504 -13.427 1.00 0.00 O ATOM 581 CB LEU A 40 -10.959 18.855 -13.446 1.00 0.00 C ATOM 582 CG LEU A 40 -11.763 17.707 -14.058 1.00 0.00 C ATOM 583 CD1 LEU A 40 -12.939 18.246 -14.859 1.00 0.00 C ATOM 584 CD2 LEU A 40 -10.872 16.839 -14.934 1.00 0.00 C ATOM 0 H LEU A 40 -11.141 18.214 -11.075 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.299 17.550 -13.042 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.625 19.442 -12.814 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.625 19.509 -14.252 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.153 17.091 -13.248 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.499 17.415 -15.287 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.591 18.824 -14.204 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.570 18.886 -15.661 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.461 16.027 -15.361 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.452 17.444 -15.737 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.064 16.423 -14.332 1.00 0.00 H new ATOM 596 N GLN A 41 -8.884 20.575 -11.812 1.00 0.00 N ATOM 597 CA GLN A 41 -7.957 21.699 -11.749 1.00 0.00 C ATOM 598 C GLN A 41 -6.707 21.329 -10.958 1.00 0.00 C ATOM 599 O GLN A 41 -5.598 21.738 -11.304 1.00 0.00 O ATOM 600 CB GLN A 41 -8.637 22.913 -11.113 1.00 0.00 C ATOM 601 CG GLN A 41 -8.883 22.760 -9.621 1.00 0.00 C ATOM 602 CD GLN A 41 -9.312 24.058 -8.965 1.00 0.00 C ATOM 603 OE1 GLN A 41 -8.478 24.859 -8.541 1.00 0.00 O ATOM 604 NE2 GLN A 41 -10.620 24.272 -8.877 1.00 0.00 N ATOM 0 H GLN A 41 -9.670 20.639 -11.165 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.660 21.950 -12.767 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.019 23.795 -11.282 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.589 23.089 -11.614 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.651 22.004 -9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.973 22.398 -9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.276 23.581 -9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.969 25.127 -8.445 1.00 0.00 H new ATOM 613 N ILE A 42 -6.893 20.555 -9.894 1.00 0.00 N ATOM 614 CA ILE A 42 -5.779 20.130 -9.055 1.00 0.00 C ATOM 615 C ILE A 42 -4.794 19.272 -9.841 1.00 0.00 C ATOM 616 O ILE A 42 -3.586 19.335 -9.618 1.00 0.00 O ATOM 617 CB ILE A 42 -6.269 19.337 -7.829 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.913 20.279 -6.809 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.116 18.573 -7.197 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.860 19.582 -5.857 1.00 0.00 C ATOM 0 H ILE A 42 -7.804 20.210 -9.593 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.277 21.036 -8.715 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.020 18.618 -8.157 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.128 20.770 -6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.455 21.061 -7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.478 18.018 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.698 17.878 -7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.345 19.275 -6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.279 20.310 -5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.666 19.114 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.318 18.819 -5.299 1.00 0.00 H new ATOM 632 N GLU A 43 -5.320 18.471 -10.763 1.00 0.00 N ATOM 633 CA GLU A 43 -4.486 17.601 -11.583 1.00 0.00 C ATOM 634 C GLU A 43 -3.517 18.418 -12.433 1.00 0.00 C ATOM 635 O GLU A 43 -2.301 18.312 -12.280 1.00 0.00 O ATOM 636 CB GLU A 43 -5.357 16.724 -12.485 1.00 0.00 C ATOM 637 CG GLU A 43 -5.826 15.442 -11.819 1.00 0.00 C ATOM 638 CD GLU A 43 -6.706 14.602 -12.724 1.00 0.00 C ATOM 639 OE1 GLU A 43 -7.901 14.938 -12.867 1.00 0.00 O ATOM 640 OE2 GLU A 43 -6.202 13.609 -13.289 1.00 0.00 O ATOM 0 H GLU A 43 -6.319 18.407 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.907 16.962 -10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.228 17.297 -12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.795 16.472 -13.384 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.958 14.856 -11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.376 15.689 -10.911 1.00 0.00 H new ATOM 647 N GLU A 44 -4.066 19.234 -13.328 1.00 0.00 N ATOM 648 CA GLU A 44 -3.250 20.068 -14.202 1.00 0.00 C ATOM 649 C GLU A 44 -2.283 20.925 -13.390 1.00 0.00 C ATOM 650 O GLU A 44 -1.259 21.380 -13.901 1.00 0.00 O ATOM 651 CB GLU A 44 -4.141 20.964 -15.065 1.00 0.00 C ATOM 652 CG GLU A 44 -4.883 22.028 -14.274 1.00 0.00 C ATOM 653 CD GLU A 44 -3.949 23.038 -13.636 1.00 0.00 C ATOM 654 OE1 GLU A 44 -3.056 23.550 -14.344 1.00 0.00 O ATOM 655 OE2 GLU A 44 -4.110 23.316 -12.430 1.00 0.00 O ATOM 0 H GLU A 44 -5.072 19.335 -13.466 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.670 19.411 -14.850 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.527 21.449 -15.824 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.866 20.343 -15.591 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.578 22.547 -14.934 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.479 21.549 -13.497 1.00 0.00 H new ATOM 662 N LEU A 45 -2.616 21.141 -12.122 1.00 0.00 N ATOM 663 CA LEU A 45 -1.778 21.943 -11.237 1.00 0.00 C ATOM 664 C LEU A 45 -0.556 21.153 -10.780 1.00 0.00 C ATOM 665 O LEU A 45 0.485 21.730 -10.464 1.00 0.00 O ATOM 666 CB LEU A 45 -2.583 22.408 -10.023 1.00 0.00 C ATOM 667 CG LEU A 45 -1.789 22.624 -8.734 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.874 23.831 -8.867 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.730 22.795 -7.550 1.00 0.00 C ATOM 0 H LEU A 45 -3.460 20.772 -11.684 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.436 22.815 -11.793 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.082 23.342 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.364 21.673 -9.826 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.172 21.743 -8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.317 23.969 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.177 23.670 -9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.472 24.720 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.148 22.948 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.373 23.659 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.344 21.901 -7.441 1.00 0.00 H new ATOM 681 N TRP A 46 -0.690 19.833 -10.750 1.00 0.00 N ATOM 682 CA TRP A 46 0.405 18.963 -10.333 1.00 0.00 C ATOM 683 C TRP A 46 1.398 18.755 -11.471 1.00 0.00 C ATOM 684 O TRP A 46 2.574 18.472 -11.238 1.00 0.00 O ATOM 685 CB TRP A 46 -0.140 17.614 -9.861 1.00 0.00 C ATOM 686 CG TRP A 46 0.863 16.504 -9.952 1.00 0.00 C ATOM 687 CD1 TRP A 46 1.001 15.605 -10.971 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.867 16.175 -8.986 1.00 0.00 C ATOM 689 NE1 TRP A 46 2.030 14.737 -10.696 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.578 15.066 -9.485 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.235 16.710 -7.749 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.633 14.484 -8.788 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.283 16.131 -7.058 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.973 15.028 -7.579 1.00 0.00 C ATOM 0 H TRP A 46 -1.545 19.341 -11.009 1.00 0.00 H new ATOM 0 HA TRP A 46 0.925 19.446 -9.506 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.476 17.707 -8.828 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.014 17.354 -10.458 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.391 15.580 -11.862 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.336 13.972 -11.297 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.710 17.561 -7.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.165 13.633 -9.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.575 16.536 -6.100 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.789 14.599 -7.016 1.00 0.00 H new ATOM 705 N LYS A 47 0.919 18.897 -12.702 1.00 0.00 N ATOM 706 CA LYS A 47 1.765 18.726 -13.877 1.00 0.00 C ATOM 707 C LYS A 47 2.516 20.014 -14.199 1.00 0.00 C ATOM 708 O LYS A 47 3.185 20.115 -15.228 1.00 0.00 O ATOM 709 CB LYS A 47 0.921 18.301 -15.081 1.00 0.00 C ATOM 710 CG LYS A 47 0.276 16.936 -14.919 1.00 0.00 C ATOM 711 CD LYS A 47 -0.845 16.727 -15.924 1.00 0.00 C ATOM 712 CE LYS A 47 -0.311 16.643 -17.346 1.00 0.00 C ATOM 713 NZ LYS A 47 0.067 15.251 -17.715 1.00 0.00 N ATOM 0 H LYS A 47 -0.052 19.130 -12.912 1.00 0.00 H new ATOM 0 HA LYS A 47 2.494 17.946 -13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.142 19.044 -15.249 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.550 18.293 -15.971 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.030 16.159 -15.046 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.117 16.836 -13.907 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.385 15.812 -15.683 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.559 17.547 -15.850 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.067 17.010 -18.040 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.557 17.294 -17.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.426 15.236 -18.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.807 14.909 -17.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.767 14.634 -17.644 1.00 0.00 H new ATOM 727 N THR A 48 2.402 20.998 -13.311 1.00 0.00 N ATOM 728 CA THR A 48 3.070 22.279 -13.501 1.00 0.00 C ATOM 729 C THR A 48 3.902 22.651 -12.279 1.00 0.00 C ATOM 730 O THR A 48 4.620 23.652 -12.285 1.00 0.00 O ATOM 731 CB THR A 48 2.057 23.405 -13.780 1.00 0.00 C ATOM 732 OG1 THR A 48 1.102 23.480 -12.716 1.00 0.00 O ATOM 733 CG2 THR A 48 1.337 23.170 -15.099 1.00 0.00 C ATOM 0 H THR A 48 1.853 20.931 -12.454 1.00 0.00 H new ATOM 0 HA THR A 48 3.726 22.169 -14.364 1.00 0.00 H new ATOM 0 HB THR A 48 2.602 24.347 -13.845 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.255 22.744 -12.087 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.627 23.978 -15.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.064 23.143 -15.911 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.804 22.220 -15.058 1.00 0.00 H new ATOM 741 N LEU A 49 3.803 21.840 -11.232 1.00 0.00 N ATOM 742 CA LEU A 49 4.547 22.083 -10.001 1.00 0.00 C ATOM 743 C LEU A 49 6.048 22.118 -10.271 1.00 0.00 C ATOM 744 O LEU A 49 6.488 21.963 -11.410 1.00 0.00 O ATOM 745 CB LEU A 49 4.229 21.003 -8.966 1.00 0.00 C ATOM 746 CG LEU A 49 2.908 21.165 -8.212 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.496 19.850 -7.570 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.024 22.260 -7.162 1.00 0.00 C ATOM 0 H LEU A 49 3.214 21.007 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 49 4.243 23.053 -9.608 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.221 20.036 -9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.039 20.976 -8.237 1.00 0.00 H new ATOM 0 HG LEU A 49 2.137 21.455 -8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.554 19.984 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.371 19.091 -8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.267 19.530 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.075 22.361 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.808 22.000 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.273 23.204 -7.647 1.00 0.00 H new ATOM 760 N SER A 50 6.830 22.320 -9.215 1.00 0.00 N ATOM 761 CA SER A 50 8.282 22.376 -9.338 1.00 0.00 C ATOM 762 C SER A 50 8.889 20.980 -9.243 1.00 0.00 C ATOM 763 O SER A 50 8.294 20.071 -8.666 1.00 0.00 O ATOM 764 CB SER A 50 8.872 23.276 -8.251 1.00 0.00 C ATOM 765 OG SER A 50 8.215 24.531 -8.215 1.00 0.00 O ATOM 0 H SER A 50 6.482 22.448 -8.265 1.00 0.00 H new ATOM 0 HA SER A 50 8.524 22.793 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.782 22.787 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.936 23.424 -8.435 1.00 0.00 H new ATOM 0 HG SER A 50 8.610 25.087 -7.511 1.00 0.00 H new ATOM 771 N GLU A 51 10.079 20.819 -9.815 1.00 0.00 N ATOM 772 CA GLU A 51 10.767 19.534 -9.796 1.00 0.00 C ATOM 773 C GLU A 51 10.766 18.937 -8.391 1.00 0.00 C ATOM 774 O GLU A 51 10.178 17.882 -8.155 1.00 0.00 O ATOM 775 CB GLU A 51 12.205 19.693 -10.293 1.00 0.00 C ATOM 776 CG GLU A 51 12.801 18.412 -10.852 1.00 0.00 C ATOM 777 CD GLU A 51 14.175 18.623 -11.459 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.116 18.938 -10.702 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.307 18.474 -12.692 1.00 0.00 O ATOM 0 H GLU A 51 10.585 21.562 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 51 10.233 18.855 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.231 20.463 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.828 20.045 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.870 17.670 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.132 18.005 -11.610 1.00 0.00 H new ATOM 786 N GLU A 52 11.430 19.620 -7.464 1.00 0.00 N ATOM 787 CA GLU A 52 11.507 19.156 -6.083 1.00 0.00 C ATOM 788 C GLU A 52 10.126 18.769 -5.562 1.00 0.00 C ATOM 789 O GLU A 52 9.922 17.652 -5.087 1.00 0.00 O ATOM 790 CB GLU A 52 12.115 20.240 -5.191 1.00 0.00 C ATOM 791 CG GLU A 52 12.569 19.728 -3.834 1.00 0.00 C ATOM 792 CD GLU A 52 13.222 20.807 -2.992 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.487 21.645 -2.429 1.00 0.00 O ATOM 794 OE2 GLU A 52 14.467 20.813 -2.896 1.00 0.00 O ATOM 0 H GLU A 52 11.922 20.495 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 52 12.147 18.274 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.966 20.686 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.381 21.032 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.711 19.323 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.273 18.908 -3.976 1.00 0.00 H new ATOM 801 N GLU A 53 9.182 19.701 -5.654 1.00 0.00 N ATOM 802 CA GLU A 53 7.821 19.457 -5.190 1.00 0.00 C ATOM 803 C GLU A 53 7.378 18.036 -5.526 1.00 0.00 C ATOM 804 O GLU A 53 7.050 17.249 -4.638 1.00 0.00 O ATOM 805 CB GLU A 53 6.857 20.465 -5.818 1.00 0.00 C ATOM 806 CG GLU A 53 5.646 20.769 -4.952 1.00 0.00 C ATOM 807 CD GLU A 53 6.026 21.252 -3.566 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.035 21.979 -3.446 1.00 0.00 O ATOM 809 OE2 GLU A 53 5.315 20.903 -2.600 1.00 0.00 O ATOM 0 H GLU A 53 9.335 20.631 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 53 7.807 19.577 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.393 21.393 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.518 20.080 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.035 21.527 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.032 19.872 -4.865 1.00 0.00 H new ATOM 816 N LYS A 54 7.372 17.713 -6.815 1.00 0.00 N ATOM 817 CA LYS A 54 6.970 16.388 -7.271 1.00 0.00 C ATOM 818 C LYS A 54 7.770 15.302 -6.558 1.00 0.00 C ATOM 819 O LYS A 54 7.200 14.385 -5.965 1.00 0.00 O ATOM 820 CB LYS A 54 7.162 16.267 -8.784 1.00 0.00 C ATOM 821 CG LYS A 54 6.068 16.943 -9.592 1.00 0.00 C ATOM 822 CD LYS A 54 6.135 16.553 -11.059 1.00 0.00 C ATOM 823 CE LYS A 54 4.790 16.733 -11.746 1.00 0.00 C ATOM 824 NZ LYS A 54 4.707 15.958 -13.015 1.00 0.00 N ATOM 0 H LYS A 54 7.641 18.352 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 54 5.915 16.253 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.124 16.702 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.202 15.212 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.094 16.670 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.161 18.025 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.887 17.160 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.453 15.514 -11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.993 16.415 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.628 17.790 -11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.775 16.107 -13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.451 16.279 -13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.836 14.946 -12.813 1.00 0.00 H new ATOM 838 N LEU A 55 9.093 15.412 -6.618 1.00 0.00 N ATOM 839 CA LEU A 55 9.971 14.440 -5.977 1.00 0.00 C ATOM 840 C LEU A 55 9.458 14.075 -4.588 1.00 0.00 C ATOM 841 O LEU A 55 9.285 12.899 -4.267 1.00 0.00 O ATOM 842 CB LEU A 55 11.393 14.996 -5.877 1.00 0.00 C ATOM 843 CG LEU A 55 12.309 14.713 -7.068 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.953 13.342 -6.933 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.533 14.814 -8.374 1.00 0.00 C ATOM 0 H LEU A 55 9.581 16.165 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 55 9.981 13.538 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.331 16.076 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.859 14.588 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 55 13.100 15.463 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.601 13.159 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.543 13.306 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.177 12.578 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.201 14.610 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.721 14.087 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.121 15.818 -8.476 1.00 0.00 H new ATOM 857 N LYS A 56 9.213 15.091 -3.767 1.00 0.00 N ATOM 858 CA LYS A 56 8.715 14.879 -2.413 1.00 0.00 C ATOM 859 C LYS A 56 7.651 13.787 -2.390 1.00 0.00 C ATOM 860 O LYS A 56 7.740 12.836 -1.612 1.00 0.00 O ATOM 861 CB LYS A 56 8.139 16.180 -1.850 1.00 0.00 C ATOM 862 CG LYS A 56 9.152 17.309 -1.767 1.00 0.00 C ATOM 863 CD LYS A 56 8.722 18.372 -0.770 1.00 0.00 C ATOM 864 CE LYS A 56 7.827 19.416 -1.420 1.00 0.00 C ATOM 865 NZ LYS A 56 7.334 20.416 -0.432 1.00 0.00 N ATOM 0 H LYS A 56 9.351 16.070 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 56 9.551 14.560 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.304 16.498 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.738 15.989 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.123 16.907 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.276 17.761 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.192 17.902 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.604 18.857 -0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.379 19.927 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.978 18.923 -1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.520 20.926 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.044 19.929 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.093 21.093 -0.214 1.00 0.00 H new ATOM 879 N TYR A 57 6.646 13.928 -3.247 1.00 0.00 N ATOM 880 CA TYR A 57 5.564 12.954 -3.323 1.00 0.00 C ATOM 881 C TYR A 57 6.046 11.653 -3.957 1.00 0.00 C ATOM 882 O TYR A 57 5.836 10.570 -3.413 1.00 0.00 O ATOM 883 CB TYR A 57 4.393 13.522 -4.127 1.00 0.00 C ATOM 884 CG TYR A 57 3.418 14.322 -3.293 1.00 0.00 C ATOM 885 CD1 TYR A 57 2.451 13.689 -2.522 1.00 0.00 C ATOM 886 CD2 TYR A 57 3.464 15.710 -3.275 1.00 0.00 C ATOM 887 CE1 TYR A 57 1.557 14.415 -1.759 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.575 16.445 -2.514 1.00 0.00 C ATOM 889 CZ TYR A 57 1.623 15.793 -1.758 1.00 0.00 C ATOM 890 OH TYR A 57 0.736 16.520 -0.999 1.00 0.00 O ATOM 0 H TYR A 57 6.558 14.708 -3.899 1.00 0.00 H new ATOM 0 HA TYR A 57 5.230 12.741 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.783 14.156 -4.923 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.860 12.701 -4.606 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.397 12.610 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.208 16.224 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.811 13.907 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 57 2.625 17.524 -2.511 1.00 0.00 H new ATOM 0 HH TYR A 57 0.918 17.477 -1.109 1.00 0.00 H new ATOM 900 N GLU A 58 6.695 11.770 -5.112 1.00 0.00 N ATOM 901 CA GLU A 58 7.208 10.603 -5.821 1.00 0.00 C ATOM 902 C GLU A 58 7.743 9.562 -4.841 1.00 0.00 C ATOM 903 O GLU A 58 7.360 8.394 -4.891 1.00 0.00 O ATOM 904 CB GLU A 58 8.312 11.016 -6.796 1.00 0.00 C ATOM 905 CG GLU A 58 7.796 11.739 -8.028 1.00 0.00 C ATOM 906 CD GLU A 58 7.127 10.804 -9.017 1.00 0.00 C ATOM 907 OE1 GLU A 58 6.154 10.126 -8.626 1.00 0.00 O ATOM 908 OE2 GLU A 58 7.577 10.750 -10.181 1.00 0.00 O ATOM 0 H GLU A 58 6.878 12.660 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 58 6.385 10.160 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.021 11.661 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.860 10.127 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.086 12.507 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.625 12.249 -8.519 1.00 0.00 H new ATOM 915 N GLU A 59 8.630 9.997 -3.951 1.00 0.00 N ATOM 916 CA GLU A 59 9.218 9.103 -2.961 1.00 0.00 C ATOM 917 C GLU A 59 8.139 8.281 -2.260 1.00 0.00 C ATOM 918 O GLU A 59 8.313 7.087 -2.015 1.00 0.00 O ATOM 919 CB GLU A 59 10.016 9.903 -1.929 1.00 0.00 C ATOM 920 CG GLU A 59 11.350 10.410 -2.451 1.00 0.00 C ATOM 921 CD GLU A 59 11.871 11.597 -1.664 1.00 0.00 C ATOM 922 OE1 GLU A 59 11.353 12.715 -1.867 1.00 0.00 O ATOM 923 OE2 GLU A 59 12.796 11.408 -0.847 1.00 0.00 O ATOM 0 H GLU A 59 8.956 10.962 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 59 9.890 8.420 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.418 10.752 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.192 9.278 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.082 9.603 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.243 10.692 -3.498 1.00 0.00 H new ATOM 930 N LYS A 60 7.025 8.930 -1.940 1.00 0.00 N ATOM 931 CA LYS A 60 5.916 8.262 -1.268 1.00 0.00 C ATOM 932 C LYS A 60 5.290 7.205 -2.172 1.00 0.00 C ATOM 933 O LYS A 60 4.719 6.226 -1.694 1.00 0.00 O ATOM 934 CB LYS A 60 4.856 9.284 -0.851 1.00 0.00 C ATOM 935 CG LYS A 60 5.330 10.247 0.224 1.00 0.00 C ATOM 936 CD LYS A 60 4.334 11.373 0.442 1.00 0.00 C ATOM 937 CE LYS A 60 3.116 10.899 1.221 1.00 0.00 C ATOM 938 NZ LYS A 60 3.458 10.555 2.629 1.00 0.00 N ATOM 0 H LYS A 60 6.866 9.918 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 60 6.307 7.769 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.548 9.854 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.975 8.754 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.479 9.706 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.296 10.664 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.817 12.188 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.018 11.772 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.354 11.678 1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.686 10.027 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.592 10.550 3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.899 9.614 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.122 11.261 3.007 1.00 0.00 H new ATOM 952 N ALA A 61 5.403 7.409 -3.480 1.00 0.00 N ATOM 953 CA ALA A 61 4.852 6.471 -4.450 1.00 0.00 C ATOM 954 C ALA A 61 5.780 5.278 -4.651 1.00 0.00 C ATOM 955 O ALA A 61 5.410 4.137 -4.375 1.00 0.00 O ATOM 956 CB ALA A 61 4.597 7.173 -5.776 1.00 0.00 C ATOM 0 H ALA A 61 5.871 8.216 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 61 3.905 6.098 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.186 6.461 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.888 7.987 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.534 7.574 -6.162 1.00 0.00 H new ATOM 962 N THR A 62 6.989 5.550 -5.133 1.00 0.00 N ATOM 963 CA THR A 62 7.970 4.499 -5.372 1.00 0.00 C ATOM 964 C THR A 62 8.060 3.550 -4.182 1.00 0.00 C ATOM 965 O THR A 62 8.112 2.331 -4.349 1.00 0.00 O ATOM 966 CB THR A 62 9.366 5.086 -5.653 1.00 0.00 C ATOM 967 OG1 THR A 62 10.278 4.038 -6.000 1.00 0.00 O ATOM 968 CG2 THR A 62 9.890 5.840 -4.439 1.00 0.00 C ATOM 0 H THR A 62 7.312 6.489 -5.365 1.00 0.00 H new ATOM 0 HA THR A 62 7.634 3.947 -6.249 1.00 0.00 H new ATOM 0 HB THR A 62 9.282 5.784 -6.486 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.163 4.420 -6.179 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.877 6.246 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.209 6.655 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.960 5.160 -3.590 1.00 0.00 H new ATOM 976 N LYS A 63 8.077 4.116 -2.980 1.00 0.00 N ATOM 977 CA LYS A 63 8.159 3.321 -1.761 1.00 0.00 C ATOM 978 C LYS A 63 7.051 2.274 -1.719 1.00 0.00 C ATOM 979 O LYS A 63 7.275 1.135 -1.307 1.00 0.00 O ATOM 980 CB LYS A 63 8.068 4.226 -0.530 1.00 0.00 C ATOM 981 CG LYS A 63 9.389 4.873 -0.151 1.00 0.00 C ATOM 982 CD LYS A 63 9.328 5.494 1.234 1.00 0.00 C ATOM 983 CE LYS A 63 9.347 4.433 2.323 1.00 0.00 C ATOM 984 NZ LYS A 63 9.183 5.026 3.679 1.00 0.00 N ATOM 0 H LYS A 63 8.035 5.123 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 63 9.120 2.807 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.331 5.007 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.704 3.641 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.183 4.127 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.643 5.639 -0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.173 6.170 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.423 6.094 1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.549 3.713 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.287 3.884 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.201 4.270 4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.959 5.694 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.274 5.529 3.730 1.00 0.00 H new ATOM 998 N ASP A 64 5.856 2.666 -2.148 1.00 0.00 N ATOM 999 CA ASP A 64 4.713 1.760 -2.161 1.00 0.00 C ATOM 1000 C ASP A 64 4.700 0.921 -3.435 1.00 0.00 C ATOM 1001 O ASP A 64 4.113 -0.161 -3.472 1.00 0.00 O ATOM 1002 CB ASP A 64 3.409 2.550 -2.042 1.00 0.00 C ATOM 1003 CG ASP A 64 2.275 1.712 -1.484 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.322 0.473 -1.635 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.340 2.295 -0.897 1.00 0.00 O ATOM 0 H ASP A 64 5.654 3.605 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 64 4.802 1.089 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.569 3.415 -1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.127 2.931 -3.024 1.00 0.00 H new ATOM 1010 N LEU A 65 5.349 1.428 -4.478 1.00 0.00 N ATOM 1011 CA LEU A 65 5.411 0.726 -5.755 1.00 0.00 C ATOM 1012 C LEU A 65 6.105 -0.624 -5.601 1.00 0.00 C ATOM 1013 O LEU A 65 5.670 -1.624 -6.172 1.00 0.00 O ATOM 1014 CB LEU A 65 6.149 1.576 -6.791 1.00 0.00 C ATOM 1015 CG LEU A 65 6.578 0.853 -8.069 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.411 0.745 -9.038 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.750 1.573 -8.720 1.00 0.00 C ATOM 0 H LEU A 65 5.839 2.322 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 65 4.390 0.553 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.508 2.413 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.037 1.997 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 65 6.898 -0.155 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.735 0.228 -9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.600 0.186 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.060 1.744 -9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.042 1.045 -9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.457 2.592 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.592 1.598 -8.028 1.00 0.00 H new ATOM 1029 N GLU A 66 7.183 -0.645 -4.824 1.00 0.00 N ATOM 1030 CA GLU A 66 7.935 -1.873 -4.595 1.00 0.00 C ATOM 1031 C GLU A 66 7.000 -3.076 -4.513 1.00 0.00 C ATOM 1032 O GLU A 66 7.247 -4.110 -5.134 1.00 0.00 O ATOM 1033 CB GLU A 66 8.755 -1.762 -3.307 1.00 0.00 C ATOM 1034 CG GLU A 66 7.918 -1.451 -2.078 1.00 0.00 C ATOM 1035 CD GLU A 66 7.358 -2.699 -1.423 1.00 0.00 C ATOM 1036 OE1 GLU A 66 8.017 -3.757 -1.502 1.00 0.00 O ATOM 1037 OE2 GLU A 66 6.260 -2.618 -0.833 1.00 0.00 O ATOM 0 H GLU A 66 7.555 0.174 -4.343 1.00 0.00 H new ATOM 0 HA GLU A 66 8.612 -2.017 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.290 -2.698 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.507 -0.983 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.528 -0.908 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.096 -0.793 -2.360 1.00 0.00 H new ATOM 1044 N ARG A 67 5.927 -2.933 -3.742 1.00 0.00 N ATOM 1045 CA ARG A 67 4.956 -4.008 -3.577 1.00 0.00 C ATOM 1046 C ARG A 67 4.376 -4.428 -4.925 1.00 0.00 C ATOM 1047 O ARG A 67 4.491 -5.585 -5.328 1.00 0.00 O ATOM 1048 CB ARG A 67 3.830 -3.568 -2.640 1.00 0.00 C ATOM 1049 CG ARG A 67 2.878 -4.690 -2.263 1.00 0.00 C ATOM 1050 CD ARG A 67 1.648 -4.159 -1.543 1.00 0.00 C ATOM 1051 NE ARG A 67 1.926 -3.845 -0.144 1.00 0.00 N ATOM 1052 CZ ARG A 67 2.193 -4.765 0.777 1.00 0.00 C ATOM 1053 NH1 ARG A 67 2.217 -6.050 0.448 1.00 0.00 N ATOM 1054 NH2 ARG A 67 2.436 -4.401 2.029 1.00 0.00 N ATOM 0 H ARG A 67 5.708 -2.083 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 67 5.470 -4.864 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.266 -3.153 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.264 -2.768 -3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.572 -5.226 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.394 -5.407 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.289 -3.264 -2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.849 -4.898 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 67 1.915 -2.866 0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.030 -6.334 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.422 -6.754 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.418 -3.414 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.641 -5.108 2.735 1.00 0.00 H new ATOM 1068 N TYR A 68 3.753 -3.480 -5.616 1.00 0.00 N ATOM 1069 CA TYR A 68 3.152 -3.752 -6.916 1.00 0.00 C ATOM 1070 C TYR A 68 4.123 -4.508 -7.818 1.00 0.00 C ATOM 1071 O TYR A 68 3.754 -5.488 -8.462 1.00 0.00 O ATOM 1072 CB TYR A 68 2.726 -2.445 -7.588 1.00 0.00 C ATOM 1073 CG TYR A 68 2.282 -2.619 -9.023 1.00 0.00 C ATOM 1074 CD1 TYR A 68 3.195 -2.546 -10.067 1.00 0.00 C ATOM 1075 CD2 TYR A 68 0.949 -2.856 -9.334 1.00 0.00 C ATOM 1076 CE1 TYR A 68 2.794 -2.703 -11.379 1.00 0.00 C ATOM 1077 CE2 TYR A 68 0.539 -3.016 -10.643 1.00 0.00 C ATOM 1078 CZ TYR A 68 1.465 -2.938 -11.662 1.00 0.00 C ATOM 1079 OH TYR A 68 1.061 -3.097 -12.968 1.00 0.00 O ATOM 0 H TYR A 68 3.651 -2.516 -5.297 1.00 0.00 H new ATOM 0 HA TYR A 68 2.272 -4.375 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.912 -2.001 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.558 -1.742 -7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.237 -2.363 -9.849 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.221 -2.916 -8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.517 -2.642 -12.179 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.501 -3.201 -10.867 1.00 0.00 H new ATOM 0 HH TYR A 68 1.803 -3.455 -13.499 1.00 0.00 H new ATOM 1089 N ASN A 69 5.368 -4.043 -7.856 1.00 0.00 N ATOM 1090 CA ASN A 69 6.394 -4.674 -8.678 1.00 0.00 C ATOM 1091 C ASN A 69 6.447 -6.177 -8.423 1.00 0.00 C ATOM 1092 O ASN A 69 6.362 -6.979 -9.353 1.00 0.00 O ATOM 1093 CB ASN A 69 7.761 -4.048 -8.394 1.00 0.00 C ATOM 1094 CG ASN A 69 7.910 -2.676 -9.022 1.00 0.00 C ATOM 1095 OD1 ASN A 69 7.275 -2.371 -10.032 1.00 0.00 O ATOM 1096 ND2 ASN A 69 8.753 -1.841 -8.426 1.00 0.00 N ATOM 0 H ASN A 69 5.690 -3.232 -7.328 1.00 0.00 H new ATOM 0 HA ASN A 69 6.138 -4.510 -9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.905 -3.969 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.544 -4.705 -8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.895 -0.904 -8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.258 -2.136 -7.591 1.00 0.00 H new ATOM 1103 N SER A 70 6.588 -6.552 -7.156 1.00 0.00 N ATOM 1104 CA SER A 70 6.655 -7.959 -6.777 1.00 0.00 C ATOM 1105 C SER A 70 5.448 -8.723 -7.311 1.00 0.00 C ATOM 1106 O SER A 70 5.577 -9.849 -7.791 1.00 0.00 O ATOM 1107 CB SER A 70 6.728 -8.096 -5.255 1.00 0.00 C ATOM 1108 OG SER A 70 8.056 -7.923 -4.791 1.00 0.00 O ATOM 0 H SER A 70 6.658 -5.901 -6.374 1.00 0.00 H new ATOM 0 HA SER A 70 7.557 -8.386 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.077 -7.357 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.360 -9.078 -4.957 1.00 0.00 H new ATOM 0 HG SER A 70 8.076 -8.013 -3.815 1.00 0.00 H new ATOM 1114 N GLN A 71 4.276 -8.102 -7.224 1.00 0.00 N ATOM 1115 CA GLN A 71 3.046 -8.725 -7.697 1.00 0.00 C ATOM 1116 C GLN A 71 3.078 -8.913 -9.211 1.00 0.00 C ATOM 1117 O GLN A 71 2.319 -9.709 -9.763 1.00 0.00 O ATOM 1118 CB GLN A 71 1.836 -7.876 -7.303 1.00 0.00 C ATOM 1119 CG GLN A 71 1.447 -8.013 -5.840 1.00 0.00 C ATOM 1120 CD GLN A 71 -0.038 -7.811 -5.609 1.00 0.00 C ATOM 1121 OE1 GLN A 71 -0.806 -7.629 -6.554 1.00 0.00 O ATOM 1122 NE2 GLN A 71 -0.450 -7.843 -4.347 1.00 0.00 N ATOM 0 H GLN A 71 4.153 -7.169 -6.831 1.00 0.00 H new ATOM 0 HA GLN A 71 2.962 -9.706 -7.229 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.052 -6.829 -7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.986 -8.159 -7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.735 -9.002 -5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.005 -7.286 -5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.222 -7.997 -3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.438 -7.714 -4.130 1.00 0.00 H new ATOM 1131 N MET A 72 3.961 -8.175 -9.875 1.00 0.00 N ATOM 1132 CA MET A 72 4.092 -8.262 -11.325 1.00 0.00 C ATOM 1133 C MET A 72 5.196 -9.240 -11.713 1.00 0.00 C ATOM 1134 O MET A 72 5.100 -9.928 -12.730 1.00 0.00 O ATOM 1135 CB MET A 72 4.388 -6.882 -11.915 1.00 0.00 C ATOM 1136 CG MET A 72 3.138 -6.089 -12.261 1.00 0.00 C ATOM 1137 SD MET A 72 3.424 -4.873 -13.562 1.00 0.00 S ATOM 1138 CE MET A 72 3.013 -5.832 -15.018 1.00 0.00 C ATOM 0 H MET A 72 4.596 -7.510 -9.433 1.00 0.00 H new ATOM 0 HA MET A 72 3.148 -8.628 -11.729 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.985 -6.312 -11.203 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.993 -7.002 -12.814 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.353 -6.776 -12.577 1.00 0.00 H new ATOM 0 HG3 MET A 72 2.776 -5.581 -11.367 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.141 -5.215 -15.908 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.670 -6.699 -15.080 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.977 -6.166 -14.954 1.00 0.00 H new ATOM 1148 N LYS A 73 6.243 -9.298 -10.898 1.00 0.00 N ATOM 1149 CA LYS A 73 7.365 -10.193 -11.155 1.00 0.00 C ATOM 1150 C LYS A 73 6.883 -11.625 -11.361 1.00 0.00 C ATOM 1151 O LYS A 73 7.281 -12.293 -12.315 1.00 0.00 O ATOM 1152 CB LYS A 73 8.361 -10.141 -9.994 1.00 0.00 C ATOM 1153 CG LYS A 73 9.562 -11.053 -10.182 1.00 0.00 C ATOM 1154 CD LYS A 73 10.294 -11.288 -8.871 1.00 0.00 C ATOM 1155 CE LYS A 73 11.158 -12.538 -8.932 1.00 0.00 C ATOM 1156 NZ LYS A 73 11.840 -12.804 -7.635 1.00 0.00 N ATOM 0 H LYS A 73 6.338 -8.735 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 73 7.861 -9.861 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.710 -9.116 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.847 -10.416 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.234 -12.008 -10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.245 -10.611 -10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.918 -10.424 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.571 -11.383 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.539 -13.395 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.904 -12.426 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.419 -13.664 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.450 -11.998 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.128 -12.936 -6.889 1.00 0.00 H new ATOM 1170 N ARG A 74 6.022 -12.090 -10.461 1.00 0.00 N ATOM 1171 CA ARG A 74 5.486 -13.443 -10.545 1.00 0.00 C ATOM 1172 C ARG A 74 4.513 -13.570 -11.714 1.00 0.00 C ATOM 1173 O ARG A 74 4.104 -14.673 -12.077 1.00 0.00 O ATOM 1174 CB ARG A 74 4.782 -13.818 -9.239 1.00 0.00 C ATOM 1175 CG ARG A 74 3.693 -12.839 -8.832 1.00 0.00 C ATOM 1176 CD ARG A 74 3.538 -12.775 -7.321 1.00 0.00 C ATOM 1177 NE ARG A 74 2.939 -13.992 -6.779 1.00 0.00 N ATOM 1178 CZ ARG A 74 2.962 -14.312 -5.490 1.00 0.00 C ATOM 1179 NH1 ARG A 74 3.551 -13.509 -4.615 1.00 0.00 N ATOM 1180 NH2 ARG A 74 2.395 -15.437 -5.074 1.00 0.00 N ATOM 0 H ARG A 74 5.681 -11.550 -9.666 1.00 0.00 H new ATOM 0 HA ARG A 74 6.318 -14.127 -10.710 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.345 -14.811 -9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.522 -13.878 -8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.931 -11.847 -9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.747 -13.137 -9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.514 -12.617 -6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.919 -11.918 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 74 2.478 -14.631 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.988 -12.643 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.567 -13.757 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.941 -16.057 -5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.413 -15.682 -4.084 1.00 0.00 H new ATOM 1194 N ALA A 75 4.146 -12.435 -12.298 1.00 0.00 N ATOM 1195 CA ALA A 75 3.223 -12.419 -13.426 1.00 0.00 C ATOM 1196 C ALA A 75 3.977 -12.394 -14.752 1.00 0.00 C ATOM 1197 O ALA A 75 3.479 -12.877 -15.769 1.00 0.00 O ATOM 1198 CB ALA A 75 2.288 -11.223 -13.326 1.00 0.00 C ATOM 0 H ALA A 75 4.474 -11.514 -12.009 1.00 0.00 H new ATOM 0 HA ALA A 75 2.631 -13.333 -13.392 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.604 -11.224 -14.175 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.717 -11.284 -12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.872 -10.303 -13.332 1.00 0.00 H new ATOM 1204 N ILE A 76 5.179 -11.828 -14.733 1.00 0.00 N ATOM 1205 CA ILE A 76 6.000 -11.740 -15.934 1.00 0.00 C ATOM 1206 C ILE A 76 5.999 -13.060 -16.698 1.00 0.00 C ATOM 1207 O ILE A 76 6.270 -13.094 -17.898 1.00 0.00 O ATOM 1208 CB ILE A 76 7.453 -11.357 -15.595 1.00 0.00 C ATOM 1209 CG1 ILE A 76 7.516 -9.920 -15.075 1.00 0.00 C ATOM 1210 CG2 ILE A 76 8.343 -11.523 -16.818 1.00 0.00 C ATOM 1211 CD1 ILE A 76 7.092 -8.888 -16.096 1.00 0.00 C ATOM 0 H ILE A 76 5.606 -11.424 -13.899 1.00 0.00 H new ATOM 0 HA ILE A 76 5.564 -10.961 -16.559 1.00 0.00 H new ATOM 0 HB ILE A 76 7.816 -12.023 -14.812 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.878 -9.832 -14.196 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.535 -9.703 -14.753 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.367 -11.249 -16.563 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.317 -12.561 -17.148 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.984 -10.878 -17.620 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.162 -7.892 -15.658 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.745 -8.948 -16.967 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.063 -9.079 -16.401 1.00 0.00 H new ATOM 1223 N GLU A 77 5.691 -14.145 -15.994 1.00 0.00 N ATOM 1224 CA GLU A 77 5.654 -15.468 -16.607 1.00 0.00 C ATOM 1225 C GLU A 77 4.227 -15.849 -16.992 1.00 0.00 C ATOM 1226 O GLU A 77 3.747 -16.927 -16.643 1.00 0.00 O ATOM 1227 CB GLU A 77 6.233 -16.513 -15.651 1.00 0.00 C ATOM 1228 CG GLU A 77 7.677 -16.249 -15.262 1.00 0.00 C ATOM 1229 CD GLU A 77 8.152 -17.148 -14.137 1.00 0.00 C ATOM 1230 OE1 GLU A 77 7.915 -18.372 -14.216 1.00 0.00 O ATOM 1231 OE2 GLU A 77 8.760 -16.629 -13.178 1.00 0.00 O ATOM 0 H GLU A 77 5.464 -14.134 -15.000 1.00 0.00 H new ATOM 0 HA GLU A 77 6.260 -15.439 -17.512 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.623 -16.545 -14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.165 -17.496 -16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.316 -16.394 -16.133 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.783 -15.207 -14.959 1.00 0.00 H new ATOM 1238 N GLN A 78 3.556 -14.956 -17.712 1.00 0.00 N ATOM 1239 CA GLN A 78 2.185 -15.198 -18.143 1.00 0.00 C ATOM 1240 C GLN A 78 1.416 -15.993 -17.093 1.00 0.00 C ATOM 1241 O GLN A 78 0.606 -16.857 -17.426 1.00 0.00 O ATOM 1242 CB GLN A 78 2.172 -15.946 -19.477 1.00 0.00 C ATOM 1243 CG GLN A 78 2.367 -15.043 -20.684 1.00 0.00 C ATOM 1244 CD GLN A 78 2.421 -15.814 -21.988 1.00 0.00 C ATOM 1245 OE1 GLN A 78 3.481 -16.285 -22.401 1.00 0.00 O ATOM 1246 NE2 GLN A 78 1.274 -15.947 -22.644 1.00 0.00 N ATOM 0 H GLN A 78 3.940 -14.059 -18.009 1.00 0.00 H new ATOM 0 HA GLN A 78 1.696 -14.233 -18.271 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.958 -16.701 -19.468 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.224 -16.474 -19.578 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.552 -14.320 -20.727 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.290 -14.476 -20.563 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.419 -15.540 -22.264 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.248 -16.456 -23.527 1.00 0.00 H new ATOM 1255 N GLU A 79 1.676 -15.694 -15.824 1.00 0.00 N ATOM 1256 CA GLU A 79 1.009 -16.382 -14.726 1.00 0.00 C ATOM 1257 C GLU A 79 -0.329 -15.723 -14.403 1.00 0.00 C ATOM 1258 O GLU A 79 -1.371 -16.378 -14.399 1.00 0.00 O ATOM 1259 CB GLU A 79 1.900 -16.389 -13.482 1.00 0.00 C ATOM 1260 CG GLU A 79 3.012 -17.424 -13.535 1.00 0.00 C ATOM 1261 CD GLU A 79 3.634 -17.682 -12.176 1.00 0.00 C ATOM 1262 OE1 GLU A 79 2.932 -17.498 -11.159 1.00 0.00 O ATOM 1263 OE2 GLU A 79 4.821 -18.066 -12.130 1.00 0.00 O ATOM 0 H GLU A 79 2.343 -14.980 -15.532 1.00 0.00 H new ATOM 0 HA GLU A 79 0.822 -17.410 -15.036 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.341 -15.400 -13.356 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.282 -16.577 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.615 -18.358 -13.932 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.785 -17.087 -14.226 1.00 0.00 H new ATOM 1270 N SER A 80 -0.291 -14.423 -14.132 1.00 0.00 N ATOM 1271 CA SER A 80 -1.499 -13.675 -13.803 1.00 0.00 C ATOM 1272 C SER A 80 -2.640 -14.044 -14.746 1.00 0.00 C ATOM 1273 O SER A 80 -3.691 -14.512 -14.310 1.00 0.00 O ATOM 1274 CB SER A 80 -1.228 -12.170 -13.876 1.00 0.00 C ATOM 1275 OG SER A 80 -2.311 -11.431 -13.338 1.00 0.00 O ATOM 0 H SER A 80 0.563 -13.865 -14.134 1.00 0.00 H new ATOM 0 HA SER A 80 -1.793 -13.935 -12.786 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.315 -11.935 -13.329 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.063 -11.877 -14.913 1.00 0.00 H new ATOM 0 HG SER A 80 -2.188 -10.479 -13.537 1.00 0.00 H new ATOM 1281 N GLN A 81 -2.423 -13.830 -16.039 1.00 0.00 N ATOM 1282 CA GLN A 81 -3.433 -14.139 -17.044 1.00 0.00 C ATOM 1283 C GLN A 81 -4.130 -15.458 -16.727 1.00 0.00 C ATOM 1284 O GLN A 81 -3.578 -16.311 -16.033 1.00 0.00 O ATOM 1285 CB GLN A 81 -2.797 -14.205 -18.434 1.00 0.00 C ATOM 1286 CG GLN A 81 -3.788 -13.991 -19.567 1.00 0.00 C ATOM 1287 CD GLN A 81 -3.107 -13.689 -20.888 1.00 0.00 C ATOM 1288 OE1 GLN A 81 -2.437 -14.546 -21.464 1.00 0.00 O ATOM 1289 NE2 GLN A 81 -3.277 -12.465 -21.375 1.00 0.00 N ATOM 0 H GLN A 81 -1.557 -13.444 -16.416 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.178 -13.343 -17.031 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.012 -13.452 -18.502 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.318 -15.176 -18.560 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.407 -14.882 -19.677 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.456 -13.169 -19.310 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.841 -11.786 -20.863 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.844 -12.204 -22.261 1.00 0.00 H new ATOM 1298 N MET A 82 -5.345 -15.619 -17.241 1.00 0.00 N ATOM 1299 CA MET A 82 -6.116 -16.835 -17.013 1.00 0.00 C ATOM 1300 C MET A 82 -6.337 -17.591 -18.320 1.00 0.00 C ATOM 1301 O MET A 82 -6.231 -17.020 -19.404 1.00 0.00 O ATOM 1302 CB MET A 82 -7.463 -16.497 -16.372 1.00 0.00 C ATOM 1303 CG MET A 82 -8.006 -17.603 -15.481 1.00 0.00 C ATOM 1304 SD MET A 82 -7.014 -17.849 -13.996 1.00 0.00 S ATOM 1305 CE MET A 82 -7.379 -19.563 -13.624 1.00 0.00 C ATOM 0 H MET A 82 -5.817 -14.923 -17.818 1.00 0.00 H new ATOM 0 HA MET A 82 -5.549 -17.474 -16.335 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.358 -15.586 -15.783 1.00 0.00 H new ATOM 0 HB3 MET A 82 -8.188 -16.286 -17.158 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.030 -17.363 -15.194 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.044 -18.534 -16.046 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.837 -19.864 -12.728 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.450 -19.679 -13.457 1.00 0.00 H new ATOM 0 HE3 MET A 82 -7.073 -20.190 -14.461 1.00 0.00 H new ATOM 1315 N SER A 83 -6.646 -18.879 -18.208 1.00 0.00 N ATOM 1316 CA SER A 83 -6.878 -19.715 -19.380 1.00 0.00 C ATOM 1317 C SER A 83 -5.701 -19.631 -20.348 1.00 0.00 C ATOM 1318 O SER A 83 -5.879 -19.369 -21.539 1.00 0.00 O ATOM 1319 CB SER A 83 -8.166 -19.291 -20.088 1.00 0.00 C ATOM 1320 OG SER A 83 -8.775 -20.391 -20.740 1.00 0.00 O ATOM 0 H SER A 83 -6.741 -19.366 -17.317 1.00 0.00 H new ATOM 0 HA SER A 83 -6.979 -20.748 -19.046 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.859 -18.864 -19.363 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.945 -18.510 -20.815 1.00 0.00 H new ATOM 0 HG SER A 83 -9.597 -20.094 -21.184 1.00 0.00 H new ATOM 1326 N LEU A 84 -4.499 -19.855 -19.829 1.00 0.00 N ATOM 1327 CA LEU A 84 -3.292 -19.805 -20.646 1.00 0.00 C ATOM 1328 C LEU A 84 -3.251 -20.971 -21.629 1.00 0.00 C ATOM 1329 O LEU A 84 -3.884 -22.004 -21.411 1.00 0.00 O ATOM 1330 CB LEU A 84 -2.048 -19.830 -19.755 1.00 0.00 C ATOM 1331 CG LEU A 84 -1.645 -18.495 -19.128 1.00 0.00 C ATOM 1332 CD1 LEU A 84 -1.337 -17.469 -20.207 1.00 0.00 C ATOM 1333 CD2 LEU A 84 -2.743 -17.988 -18.204 1.00 0.00 C ATOM 0 H LEU A 84 -4.334 -20.073 -18.846 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.306 -18.875 -21.214 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.214 -20.550 -18.953 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.210 -20.199 -20.346 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.743 -18.650 -18.537 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.052 -16.526 -19.741 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.517 -17.829 -20.828 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.221 -17.316 -20.826 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.440 -17.037 -17.766 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.662 -17.849 -18.773 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.915 -18.715 -17.410 1.00 0.00 H new ATOM 1345 N LYS A 85 -2.500 -20.799 -22.712 1.00 0.00 N ATOM 1346 CA LYS A 85 -2.372 -21.837 -23.727 1.00 0.00 C ATOM 1347 C LYS A 85 -1.489 -22.978 -23.232 1.00 0.00 C ATOM 1348 O LYS A 85 -0.895 -22.893 -22.156 1.00 0.00 O ATOM 1349 CB LYS A 85 -1.791 -21.250 -25.016 1.00 0.00 C ATOM 1350 CG LYS A 85 -0.377 -20.717 -24.857 1.00 0.00 C ATOM 1351 CD LYS A 85 0.198 -20.257 -26.186 1.00 0.00 C ATOM 1352 CE LYS A 85 -0.237 -18.838 -26.520 1.00 0.00 C ATOM 1353 NZ LYS A 85 0.588 -17.823 -25.807 1.00 0.00 N ATOM 0 H LYS A 85 -1.971 -19.950 -22.909 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.366 -22.234 -23.931 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.796 -22.018 -25.790 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.438 -20.444 -25.362 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.378 -19.885 -24.152 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.260 -21.493 -24.433 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.286 -20.306 -26.149 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.125 -20.934 -26.977 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.160 -18.678 -27.595 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.285 -18.707 -26.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.261 -16.869 -26.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.495 -17.959 -24.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.585 -17.931 -26.082 1.00 0.00 H new ATOM 1367 N ASP A 86 -1.406 -24.042 -24.023 1.00 0.00 N ATOM 1368 CA ASP A 86 -0.592 -25.198 -23.665 1.00 0.00 C ATOM 1369 C ASP A 86 0.624 -25.311 -24.579 1.00 0.00 C ATOM 1370 O ASP A 86 0.505 -25.693 -25.743 1.00 0.00 O ATOM 1371 CB ASP A 86 -1.426 -26.478 -23.744 1.00 0.00 C ATOM 1372 CG ASP A 86 -2.381 -26.475 -24.922 1.00 0.00 C ATOM 1373 OD1 ASP A 86 -2.081 -25.798 -25.927 1.00 0.00 O ATOM 1374 OD2 ASP A 86 -3.429 -27.150 -24.838 1.00 0.00 O ATOM 0 H ASP A 86 -1.892 -24.128 -24.916 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.242 -25.063 -22.641 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.760 -27.338 -23.822 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.993 -26.596 -22.821 1.00 0.00 H new ATOM 1379 N SER A 87 1.793 -24.974 -24.043 1.00 0.00 N ATOM 1380 CA SER A 87 3.031 -25.032 -24.812 1.00 0.00 C ATOM 1381 C SER A 87 3.323 -26.460 -25.264 1.00 0.00 C ATOM 1382 O SER A 87 2.623 -27.398 -24.886 1.00 0.00 O ATOM 1383 CB SER A 87 4.198 -24.500 -23.980 1.00 0.00 C ATOM 1384 OG SER A 87 4.070 -23.106 -23.754 1.00 0.00 O ATOM 0 H SER A 87 1.909 -24.658 -23.080 1.00 0.00 H new ATOM 0 HA SER A 87 2.910 -24.407 -25.697 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.237 -25.024 -23.025 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.138 -24.704 -24.494 1.00 0.00 H new ATOM 0 HG SER A 87 4.828 -22.791 -23.218 1.00 0.00 H new ATOM 1390 N GLY A 88 4.364 -26.616 -26.076 1.00 0.00 N ATOM 1391 CA GLY A 88 4.731 -27.931 -26.567 1.00 0.00 C ATOM 1392 C GLY A 88 6.186 -28.008 -26.987 1.00 0.00 C ATOM 1393 O GLY A 88 7.078 -28.247 -26.172 1.00 0.00 O ATOM 0 H GLY A 88 4.960 -25.855 -26.402 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.541 -28.672 -25.790 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.097 -28.189 -27.415 1.00 0.00 H new ATOM 1397 N PRO A 89 6.442 -27.803 -28.288 1.00 0.00 N ATOM 1398 CA PRO A 89 7.798 -27.847 -28.844 1.00 0.00 C ATOM 1399 C PRO A 89 8.648 -26.665 -28.390 1.00 0.00 C ATOM 1400 O PRO A 89 8.234 -25.511 -28.500 1.00 0.00 O ATOM 1401 CB PRO A 89 7.563 -27.787 -30.355 1.00 0.00 C ATOM 1402 CG PRO A 89 6.248 -27.104 -30.508 1.00 0.00 C ATOM 1403 CD PRO A 89 5.428 -27.514 -29.315 1.00 0.00 C ATOM 0 HA PRO A 89 8.344 -28.732 -28.518 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.357 -27.234 -30.857 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.544 -28.785 -30.792 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.372 -26.022 -30.543 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.760 -27.399 -31.437 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.752 -26.719 -29.000 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.814 -28.388 -29.531 1.00 0.00 H new ATOM 1411 N SER A 90 9.840 -26.961 -27.880 1.00 0.00 N ATOM 1412 CA SER A 90 10.748 -25.923 -27.406 1.00 0.00 C ATOM 1413 C SER A 90 12.200 -26.312 -27.665 1.00 0.00 C ATOM 1414 O SER A 90 12.529 -27.494 -27.764 1.00 0.00 O ATOM 1415 CB SER A 90 10.534 -25.672 -25.912 1.00 0.00 C ATOM 1416 OG SER A 90 11.018 -24.394 -25.535 1.00 0.00 O ATOM 0 H SER A 90 10.199 -27.911 -27.785 1.00 0.00 H new ATOM 0 HA SER A 90 10.532 -25.007 -27.956 1.00 0.00 H new ATOM 0 HB2 SER A 90 9.472 -25.746 -25.676 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.044 -26.443 -25.334 1.00 0.00 H new ATOM 0 HG SER A 90 10.868 -24.257 -24.576 1.00 0.00 H new ATOM 1422 N SER A 91 13.065 -25.308 -27.773 1.00 0.00 N ATOM 1423 CA SER A 91 14.482 -25.544 -28.024 1.00 0.00 C ATOM 1424 C SER A 91 14.683 -26.296 -29.336 1.00 0.00 C ATOM 1425 O SER A 91 15.497 -27.215 -29.419 1.00 0.00 O ATOM 1426 CB SER A 91 15.102 -26.333 -26.870 1.00 0.00 C ATOM 1427 OG SER A 91 16.516 -26.250 -26.896 1.00 0.00 O ATOM 0 H SER A 91 12.809 -24.324 -27.691 1.00 0.00 H new ATOM 0 HA SER A 91 14.978 -24.577 -28.100 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.730 -25.948 -25.921 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.795 -27.377 -26.933 1.00 0.00 H new ATOM 0 HG SER A 91 16.844 -26.527 -27.777 1.00 0.00 H new ATOM 1433 N GLY A 92 13.934 -25.899 -30.360 1.00 0.00 N ATOM 1434 CA GLY A 92 14.044 -26.546 -31.655 1.00 0.00 C ATOM 1435 C GLY A 92 13.507 -25.685 -32.781 1.00 0.00 C ATOM 1436 O GLY A 92 13.678 -26.010 -33.955 1.00 0.00 O ATOM 0 H GLY A 92 13.253 -25.141 -30.316 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.089 -26.784 -31.851 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.500 -27.491 -31.633 1.00 0.00 H new TER 1440 GLY A 92