USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 733 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 11 CYS SG : rot 153:sc= 0.611 USER MOD Set 1.2: A 14 CYS SG : rot -54:sc= -0.128 USER MOD Set 1.3: A 54 CYS SG : rot 90:sc= 0.732 USER MOD Set 1.4: A 57 CYS SG : rot -53:sc= -0.642 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -2.16 X(o=-2.2,f=-1.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 73 LYS NZ :NH3+ 149:sc= 1 (180deg=0.449) USER MOD Single : A 79 ASN : amide:sc= 0.425 X(o=0.42,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.25) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 1.786 0.774 -0.506 1.00 1.00 N ATOM 2 CA MET A 8 2.573 0.552 -1.744 1.00 1.00 C ATOM 3 C MET A 8 2.830 -0.938 -1.966 1.00 1.00 C ATOM 4 O MET A 8 3.150 -1.670 -1.006 1.00 1.00 O ATOM 5 CB MET A 8 3.911 1.301 -1.666 1.00 1.00 C ATOM 6 CG MET A 8 4.221 2.141 -2.904 1.00 1.00 C ATOM 7 SD MET A 8 3.227 3.642 -2.983 1.00 1.00 S ATOM 8 CE MET A 8 4.424 4.862 -2.446 1.00 1.00 C ATOM 0 HA MET A 8 1.995 0.935 -2.585 1.00 1.00 H new ATOM 0 HB2 MET A 8 3.903 1.950 -0.791 1.00 1.00 H new ATOM 0 HB3 MET A 8 4.713 0.578 -1.519 1.00 1.00 H new ATOM 0 HG2 MET A 8 5.278 2.408 -2.903 1.00 1.00 H new ATOM 0 HG3 MET A 8 4.044 1.544 -3.798 1.00 1.00 H new ATOM 0 HE1 MET A 8 3.961 5.849 -2.441 1.00 1.00 H new ATOM 0 HE2 MET A 8 4.767 4.617 -1.441 1.00 1.00 H new ATOM 0 HE3 MET A 8 5.273 4.864 -3.129 1.00 1.00 H new ATOM 18 N ALA A 9 2.671 -1.351 -3.245 1.00 1.00 N ATOM 19 CA ALA A 9 2.881 -2.736 -3.702 1.00 1.00 C ATOM 20 C ALA A 9 4.101 -2.819 -4.614 1.00 1.00 C ATOM 21 O ALA A 9 4.313 -1.924 -5.449 1.00 1.00 O ATOM 22 CB ALA A 9 1.641 -3.255 -4.418 1.00 1.00 C ATOM 0 H ALA A 9 2.389 -0.720 -3.995 1.00 1.00 H new ATOM 0 HA ALA A 9 3.062 -3.363 -2.829 1.00 1.00 H new ATOM 0 HB1 ALA A 9 1.814 -4.279 -4.749 1.00 1.00 H new ATOM 0 HB2 ALA A 9 0.791 -3.232 -3.736 1.00 1.00 H new ATOM 0 HB3 ALA A 9 1.430 -2.625 -5.282 1.00 1.00 H new ATOM 28 N LYS A 10 4.881 -3.904 -4.431 1.00 1.00 N ATOM 29 CA LYS A 10 6.104 -4.179 -5.200 1.00 1.00 C ATOM 30 C LYS A 10 5.940 -5.434 -6.040 1.00 1.00 C ATOM 31 O LYS A 10 5.365 -6.435 -5.564 1.00 1.00 O ATOM 32 CB LYS A 10 7.316 -4.338 -4.276 1.00 1.00 C ATOM 33 CG LYS A 10 8.006 -3.029 -3.932 1.00 1.00 C ATOM 34 CD LYS A 10 9.165 -3.252 -2.974 1.00 1.00 C ATOM 35 CE LYS A 10 9.913 -1.960 -2.696 1.00 1.00 C ATOM 36 NZ LYS A 10 11.057 -2.173 -1.766 1.00 1.00 N ATOM 0 H LYS A 10 4.673 -4.621 -3.735 1.00 1.00 H new ATOM 0 HA LYS A 10 6.275 -3.326 -5.857 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.996 -4.822 -3.353 1.00 1.00 H new ATOM 0 HB3 LYS A 10 8.037 -5.003 -4.751 1.00 1.00 H new ATOM 0 HG2 LYS A 10 8.371 -2.557 -4.844 1.00 1.00 H new ATOM 0 HG3 LYS A 10 7.287 -2.343 -3.484 1.00 1.00 H new ATOM 0 HD2 LYS A 10 8.790 -3.665 -2.038 1.00 1.00 H new ATOM 0 HD3 LYS A 10 9.851 -3.987 -3.395 1.00 1.00 H new ATOM 0 HE2 LYS A 10 10.280 -1.543 -3.634 1.00 1.00 H new ATOM 0 HE3 LYS A 10 9.228 -1.228 -2.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 11.543 -1.268 -1.600 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 10.704 -2.547 -0.862 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 11.724 -2.852 -2.185 1.00 1.00 H new ATOM 50 N CYS A 11 6.457 -5.358 -7.304 1.00 1.00 N ATOM 51 CA CYS A 11 6.435 -6.479 -8.289 1.00 1.00 C ATOM 52 C CYS A 11 7.495 -7.594 -7.933 1.00 1.00 C ATOM 53 O CYS A 11 8.688 -7.237 -7.825 1.00 1.00 O ATOM 54 CB CYS A 11 6.710 -5.980 -9.730 1.00 1.00 C ATOM 55 SG CYS A 11 6.247 -7.188 -11.023 1.00 1.00 S ATOM 0 H CYS A 11 6.901 -4.514 -7.666 1.00 1.00 H new ATOM 0 HA CYS A 11 5.433 -6.905 -8.237 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.160 -5.054 -9.896 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.770 -5.744 -9.828 1.00 1.00 H new ATOM 0 HG CYS A 11 5.955 -6.557 -12.121 1.00 1.00 H new ATOM 60 N PRO A 12 7.116 -8.954 -7.656 1.00 1.00 N ATOM 61 CA PRO A 12 8.139 -10.042 -7.386 1.00 1.00 C ATOM 62 C PRO A 12 9.034 -10.382 -8.615 1.00 1.00 C ATOM 63 O PRO A 12 10.162 -10.872 -8.444 1.00 1.00 O ATOM 64 CB PRO A 12 7.285 -11.272 -7.017 1.00 1.00 C ATOM 65 CG PRO A 12 5.973 -10.707 -6.590 1.00 1.00 C ATOM 66 CD PRO A 12 5.735 -9.553 -7.522 1.00 1.00 C ATOM 0 HA PRO A 12 8.835 -9.723 -6.610 1.00 1.00 H new ATOM 0 HB2 PRO A 12 7.169 -11.943 -7.868 1.00 1.00 H new ATOM 0 HB3 PRO A 12 7.747 -11.849 -6.216 1.00 1.00 H new ATOM 0 HG2 PRO A 12 5.178 -11.449 -6.667 1.00 1.00 H new ATOM 0 HG3 PRO A 12 6.002 -10.378 -5.551 1.00 1.00 H new ATOM 0 HD2 PRO A 12 5.340 -9.882 -8.483 1.00 1.00 H new ATOM 0 HD3 PRO A 12 5.021 -8.839 -7.111 1.00 1.00 H new ATOM 74 N ILE A 13 8.479 -10.103 -9.848 1.00 1.00 N ATOM 75 CA ILE A 13 9.120 -10.341 -11.190 1.00 1.00 C ATOM 76 C ILE A 13 10.289 -9.334 -11.495 1.00 1.00 C ATOM 77 O ILE A 13 11.402 -9.811 -11.794 1.00 1.00 O ATOM 78 CB ILE A 13 8.023 -10.324 -12.384 1.00 1.00 C ATOM 79 CG1 ILE A 13 6.782 -11.203 -12.067 1.00 1.00 C ATOM 80 CG2 ILE A 13 8.577 -10.848 -13.745 1.00 1.00 C ATOM 81 CD1 ILE A 13 5.499 -10.419 -11.889 1.00 1.00 C ATOM 0 H ILE A 13 7.548 -9.695 -9.933 1.00 1.00 H new ATOM 0 HA ILE A 13 9.562 -11.336 -11.142 1.00 1.00 H new ATOM 0 HB ILE A 13 7.754 -9.271 -12.463 1.00 1.00 H new ATOM 0 HG12 ILE A 13 6.646 -11.924 -12.873 1.00 1.00 H new ATOM 0 HG13 ILE A 13 6.976 -11.773 -11.158 1.00 1.00 H new ATOM 0 HG21 ILE A 13 7.790 -10.808 -14.498 1.00 1.00 H new ATOM 0 HG22 ILE A 13 9.413 -10.225 -14.062 1.00 1.00 H new ATOM 0 HG23 ILE A 13 8.916 -11.877 -13.628 1.00 1.00 H new ATOM 0 HD11 ILE A 13 4.681 -11.105 -11.671 1.00 1.00 H new ATOM 0 HD12 ILE A 13 5.614 -9.716 -11.064 1.00 1.00 H new ATOM 0 HD13 ILE A 13 5.278 -9.870 -12.805 1.00 1.00 H new ATOM 93 N CYS A 14 10.025 -7.993 -11.408 1.00 1.00 N ATOM 94 CA CYS A 14 11.045 -6.963 -11.715 1.00 1.00 C ATOM 95 C CYS A 14 11.541 -6.234 -10.450 1.00 1.00 C ATOM 96 O CYS A 14 12.763 -6.034 -10.312 1.00 1.00 O ATOM 97 CB CYS A 14 10.510 -5.970 -12.770 1.00 1.00 C ATOM 98 SG CYS A 14 8.988 -5.085 -12.302 1.00 1.00 S ATOM 0 H CYS A 14 9.120 -7.613 -11.130 1.00 1.00 H new ATOM 0 HA CYS A 14 11.912 -7.474 -12.134 1.00 1.00 H new ATOM 0 HB2 CYS A 14 11.287 -5.236 -12.982 1.00 1.00 H new ATOM 0 HB3 CYS A 14 10.325 -6.514 -13.696 1.00 1.00 H new ATOM 0 HG CYS A 14 8.070 -5.945 -11.972 1.00 1.00 H new ATOM 103 N GLY A 15 10.583 -5.849 -9.554 1.00 1.00 N ATOM 104 CA GLY A 15 10.884 -5.147 -8.290 1.00 1.00 C ATOM 105 C GLY A 15 10.680 -3.636 -8.363 1.00 1.00 C ATOM 106 O GLY A 15 11.401 -2.897 -7.668 1.00 1.00 O ATOM 0 H GLY A 15 9.588 -6.021 -9.697 1.00 1.00 H new ATOM 0 HA2 GLY A 15 10.251 -5.552 -7.500 1.00 1.00 H new ATOM 0 HA3 GLY A 15 11.917 -5.352 -8.008 1.00 1.00 H new ATOM 110 N SER A 16 9.692 -3.197 -9.203 1.00 1.00 N ATOM 111 CA SER A 16 9.357 -1.775 -9.409 1.00 1.00 C ATOM 112 C SER A 16 8.171 -1.305 -8.509 1.00 1.00 C ATOM 113 O SER A 16 7.271 -2.136 -8.275 1.00 1.00 O ATOM 114 CB SER A 16 8.989 -1.533 -10.866 1.00 1.00 C ATOM 115 OG SER A 16 9.669 -0.404 -11.386 1.00 1.00 O ATOM 0 H SER A 16 9.112 -3.832 -9.752 1.00 1.00 H new ATOM 0 HA SER A 16 10.241 -1.200 -9.134 1.00 1.00 H new ATOM 0 HB2 SER A 16 9.237 -2.414 -11.458 1.00 1.00 H new ATOM 0 HB3 SER A 16 7.913 -1.384 -10.952 1.00 1.00 H new ATOM 0 HG SER A 16 9.416 -0.273 -12.324 1.00 1.00 H new ATOM 121 N PRO A 17 8.095 0.041 -7.977 1.00 1.00 N ATOM 122 CA PRO A 17 6.939 0.521 -7.133 1.00 1.00 C ATOM 123 C PRO A 17 5.614 0.663 -7.912 1.00 1.00 C ATOM 124 O PRO A 17 5.616 1.113 -9.076 1.00 1.00 O ATOM 125 CB PRO A 17 7.386 1.912 -6.619 1.00 1.00 C ATOM 126 CG PRO A 17 8.863 1.937 -6.821 1.00 1.00 C ATOM 127 CD PRO A 17 9.085 1.177 -8.096 1.00 1.00 C ATOM 0 HA PRO A 17 6.728 -0.202 -6.345 1.00 1.00 H new ATOM 0 HB2 PRO A 17 6.898 2.714 -7.173 1.00 1.00 H new ATOM 0 HB3 PRO A 17 7.128 2.047 -5.569 1.00 1.00 H new ATOM 0 HG2 PRO A 17 9.235 2.959 -6.899 1.00 1.00 H new ATOM 0 HG3 PRO A 17 9.385 1.470 -5.986 1.00 1.00 H new ATOM 0 HD2 PRO A 17 8.892 1.793 -8.974 1.00 1.00 H new ATOM 0 HD3 PRO A 17 10.110 0.815 -8.179 1.00 1.00 H new ATOM 135 N LEU A 18 4.523 0.243 -7.240 1.00 1.00 N ATOM 136 CA LEU A 18 3.149 0.292 -7.770 1.00 1.00 C ATOM 137 C LEU A 18 2.263 1.124 -6.855 1.00 1.00 C ATOM 138 O LEU A 18 2.415 1.072 -5.615 1.00 1.00 O ATOM 139 CB LEU A 18 2.547 -1.118 -7.914 1.00 1.00 C ATOM 140 CG LEU A 18 3.066 -1.950 -9.094 1.00 1.00 C ATOM 141 CD1 LEU A 18 3.437 -3.351 -8.634 1.00 1.00 C ATOM 142 CD2 LEU A 18 2.023 -2.013 -10.203 1.00 1.00 C ATOM 0 H LEU A 18 4.575 -0.146 -6.298 1.00 1.00 H new ATOM 0 HA LEU A 18 3.196 0.750 -8.758 1.00 1.00 H new ATOM 0 HB2 LEU A 18 2.738 -1.670 -6.993 1.00 1.00 H new ATOM 0 HB3 LEU A 18 1.465 -1.022 -8.010 1.00 1.00 H new ATOM 0 HG LEU A 18 3.960 -1.467 -9.489 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.803 -3.928 -9.483 1.00 1.00 H new ATOM 0 HD12 LEU A 18 4.216 -3.290 -7.874 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.558 -3.841 -8.215 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.408 -2.607 -11.032 1.00 1.00 H new ATOM 0 HD22 LEU A 18 1.112 -2.473 -9.820 1.00 1.00 H new ATOM 0 HD23 LEU A 18 1.802 -1.004 -10.552 1.00 1.00 H new ATOM 154 N LYS A 19 1.328 1.873 -7.491 1.00 1.00 N ATOM 155 CA LYS A 19 0.362 2.748 -6.801 1.00 1.00 C ATOM 156 C LYS A 19 -0.982 2.040 -6.612 1.00 1.00 C ATOM 157 O LYS A 19 -1.482 1.387 -7.550 1.00 1.00 O ATOM 158 CB LYS A 19 0.163 4.047 -7.598 1.00 1.00 C ATOM 159 CG LYS A 19 1.193 5.125 -7.296 1.00 1.00 C ATOM 160 CD LYS A 19 1.020 6.328 -8.205 1.00 1.00 C ATOM 161 CE LYS A 19 2.038 7.410 -7.888 1.00 1.00 C ATOM 162 NZ LYS A 19 1.896 8.587 -8.788 1.00 1.00 N ATOM 0 H LYS A 19 1.227 1.883 -8.506 1.00 1.00 H new ATOM 0 HA LYS A 19 0.764 2.988 -5.817 1.00 1.00 H new ATOM 0 HB2 LYS A 19 0.196 3.816 -8.663 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -0.831 4.441 -7.388 1.00 1.00 H new ATOM 0 HG2 LYS A 19 1.101 5.437 -6.256 1.00 1.00 H new ATOM 0 HG3 LYS A 19 2.196 4.716 -7.418 1.00 1.00 H new ATOM 0 HD2 LYS A 19 1.126 6.019 -9.245 1.00 1.00 H new ATOM 0 HD3 LYS A 19 0.013 6.729 -8.093 1.00 1.00 H new ATOM 0 HE2 LYS A 19 1.919 7.728 -6.852 1.00 1.00 H new ATOM 0 HE3 LYS A 19 3.044 7.001 -7.982 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 2.609 9.302 -8.539 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 2.035 8.288 -9.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 0.945 8.994 -8.680 1.00 1.00 H new ATOM 176 N TRP A 20 -1.540 2.167 -5.367 1.00 1.00 N ATOM 177 CA TRP A 20 -2.874 1.597 -4.956 1.00 1.00 C ATOM 178 C TRP A 20 -4.072 2.297 -5.657 1.00 1.00 C ATOM 179 O TRP A 20 -5.138 1.688 -5.832 1.00 1.00 O ATOM 180 CB TRP A 20 -3.029 1.654 -3.433 1.00 1.00 C ATOM 181 CG TRP A 20 -2.447 0.441 -2.734 1.00 1.00 C ATOM 182 CD1 TRP A 20 -1.217 0.369 -2.142 1.00 1.00 C ATOM 183 CD2 TRP A 20 -3.054 -0.871 -2.550 1.00 1.00 C ATOM 184 NE1 TRP A 20 -1.012 -0.884 -1.617 1.00 1.00 N ATOM 185 CE2 TRP A 20 -2.116 -1.657 -1.851 1.00 1.00 C ATOM 186 CE3 TRP A 20 -4.287 -1.465 -2.904 1.00 1.00 C ATOM 187 CZ2 TRP A 20 -2.362 -2.981 -1.504 1.00 1.00 C ATOM 188 CZ3 TRP A 20 -4.521 -2.781 -2.555 1.00 1.00 C ATOM 189 CH2 TRP A 20 -3.563 -3.525 -1.861 1.00 1.00 C ATOM 0 H TRP A 20 -1.076 2.671 -4.612 1.00 1.00 H new ATOM 0 HA TRP A 20 -2.890 0.557 -5.281 1.00 1.00 H new ATOM 0 HB2 TRP A 20 -2.541 2.553 -3.057 1.00 1.00 H new ATOM 0 HB3 TRP A 20 -4.087 1.738 -3.184 1.00 1.00 H new ATOM 0 HD1 TRP A 20 -0.507 1.182 -2.094 1.00 1.00 H new ATOM 0 HE1 TRP A 20 -0.170 -1.190 -1.130 1.00 1.00 H new ATOM 0 HE3 TRP A 20 -5.035 -0.899 -3.439 1.00 1.00 H new ATOM 0 HZ2 TRP A 20 -1.626 -3.562 -0.968 1.00 1.00 H new ATOM 0 HZ3 TRP A 20 -5.460 -3.243 -2.823 1.00 1.00 H new ATOM 0 HH2 TRP A 20 -3.777 -4.551 -1.602 1.00 1.00 H new ATOM 200 N GLU A 21 -3.842 3.598 -6.034 1.00 1.00 N ATOM 201 CA GLU A 21 -4.791 4.489 -6.788 1.00 1.00 C ATOM 202 C GLU A 21 -4.944 4.073 -8.293 1.00 1.00 C ATOM 203 O GLU A 21 -6.029 4.243 -8.869 1.00 1.00 O ATOM 204 CB GLU A 21 -4.402 6.017 -6.659 1.00 1.00 C ATOM 205 CG GLU A 21 -2.924 6.424 -6.918 1.00 1.00 C ATOM 206 CD GLU A 21 -2.709 7.924 -6.859 1.00 1.00 C ATOM 207 OE1 GLU A 21 -2.947 8.596 -7.883 1.00 1.00 O ATOM 208 OE2 GLU A 21 -2.289 8.422 -5.793 1.00 1.00 O ATOM 0 H GLU A 21 -2.964 4.069 -5.815 1.00 1.00 H new ATOM 0 HA GLU A 21 -5.765 4.354 -6.317 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -5.028 6.579 -7.351 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.666 6.344 -5.653 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -2.284 5.940 -6.180 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -2.617 6.056 -7.897 1.00 1.00 H new ATOM 215 N GLU A 22 -3.819 3.521 -8.884 1.00 1.00 N ATOM 216 CA GLU A 22 -3.734 3.024 -10.295 1.00 1.00 C ATOM 217 C GLU A 22 -4.489 1.686 -10.512 1.00 1.00 C ATOM 218 O GLU A 22 -5.041 1.469 -11.597 1.00 1.00 O ATOM 219 CB GLU A 22 -2.262 2.865 -10.705 1.00 1.00 C ATOM 220 CG GLU A 22 -1.623 4.150 -11.257 1.00 1.00 C ATOM 221 CD GLU A 22 -1.718 4.256 -12.772 1.00 1.00 C ATOM 222 OE1 GLU A 22 -0.860 3.670 -13.464 1.00 1.00 O ATOM 223 OE2 GLU A 22 -2.655 4.922 -13.264 1.00 1.00 O ATOM 0 H GLU A 22 -2.941 3.413 -8.377 1.00 1.00 H new ATOM 0 HA GLU A 22 -4.221 3.769 -10.924 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -1.689 2.529 -9.841 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -2.188 2.082 -11.460 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -2.110 5.015 -10.806 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -0.575 4.185 -10.961 1.00 1.00 H new ATOM 230 N LEU A 23 -4.479 0.801 -9.450 1.00 1.00 N ATOM 231 CA LEU A 23 -5.183 -0.522 -9.408 1.00 1.00 C ATOM 232 C LEU A 23 -6.731 -0.396 -9.392 1.00 1.00 C ATOM 233 O LEU A 23 -7.402 -1.187 -10.054 1.00 1.00 O ATOM 234 CB LEU A 23 -4.728 -1.329 -8.177 1.00 1.00 C ATOM 235 CG LEU A 23 -3.414 -2.091 -8.328 1.00 1.00 C ATOM 236 CD1 LEU A 23 -2.525 -1.851 -7.117 1.00 1.00 C ATOM 237 CD2 LEU A 23 -3.682 -3.582 -8.502 1.00 1.00 C ATOM 0 H LEU A 23 -3.970 0.999 -8.589 1.00 1.00 H new ATOM 0 HA LEU A 23 -4.910 -1.040 -10.328 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -4.634 -0.646 -7.333 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -5.512 -2.042 -7.924 1.00 1.00 H new ATOM 0 HG LEU A 23 -2.899 -1.726 -9.217 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -1.591 -2.400 -7.237 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -2.311 -0.786 -7.028 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -3.035 -2.195 -6.217 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -2.735 -4.112 -8.608 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -4.214 -3.960 -7.629 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -4.289 -3.741 -9.393 1.00 1.00 H new ATOM 249 N ILE A 24 -7.253 0.619 -8.617 1.00 1.00 N ATOM 250 CA ILE A 24 -8.717 0.934 -8.458 1.00 1.00 C ATOM 251 C ILE A 24 -9.250 1.737 -9.707 1.00 1.00 C ATOM 252 O ILE A 24 -10.371 1.463 -10.165 1.00 1.00 O ATOM 253 CB ILE A 24 -9.041 1.709 -7.064 1.00 1.00 C ATOM 254 CG1 ILE A 24 -8.268 1.170 -5.755 1.00 1.00 C ATOM 255 CG2 ILE A 24 -10.574 1.814 -6.760 1.00 1.00 C ATOM 256 CD1 ILE A 24 -8.287 -0.346 -5.389 1.00 1.00 C ATOM 0 H ILE A 24 -6.657 1.248 -8.079 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.250 -0.016 -8.408 1.00 1.00 H new ATOM 0 HB ILE A 24 -8.640 2.703 -7.263 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -7.223 1.463 -5.856 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -8.670 1.712 -4.899 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -10.723 2.341 -5.818 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -11.068 2.361 -7.563 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -11.000 0.813 -6.687 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -7.712 -0.507 -4.477 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -9.316 -0.669 -5.231 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -7.847 -0.922 -6.203 1.00 1.00 H new ATOM 268 N GLU A 25 -8.421 2.723 -10.219 1.00 1.00 N ATOM 269 CA GLU A 25 -8.738 3.589 -11.401 1.00 1.00 C ATOM 270 C GLU A 25 -8.808 2.799 -12.747 1.00 1.00 C ATOM 271 O GLU A 25 -9.668 3.108 -13.591 1.00 1.00 O ATOM 272 CB GLU A 25 -7.718 4.731 -11.494 1.00 1.00 C ATOM 273 CG GLU A 25 -8.366 6.102 -11.645 1.00 1.00 C ATOM 274 CD GLU A 25 -7.358 7.233 -11.743 1.00 1.00 C ATOM 275 OE1 GLU A 25 -6.813 7.640 -10.694 1.00 1.00 O ATOM 276 OE2 GLU A 25 -7.116 7.714 -12.870 1.00 1.00 O ATOM 0 H GLU A 25 -7.510 2.931 -9.811 1.00 1.00 H new ATOM 0 HA GLU A 25 -9.736 3.996 -11.240 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.095 4.727 -10.600 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -7.058 4.552 -12.343 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -8.993 6.104 -12.537 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -9.023 6.282 -10.794 1.00 1.00 H new ATOM 283 N GLU A 26 -7.884 1.789 -12.909 1.00 1.00 N ATOM 284 CA GLU A 26 -7.812 0.859 -14.076 1.00 1.00 C ATOM 285 C GLU A 26 -8.872 -0.281 -14.010 1.00 1.00 C ATOM 286 O GLU A 26 -9.208 -0.863 -15.061 1.00 1.00 O ATOM 287 CB GLU A 26 -6.420 0.224 -14.139 1.00 1.00 C ATOM 288 CG GLU A 26 -5.322 1.132 -14.708 1.00 1.00 C ATOM 289 CD GLU A 26 -3.960 0.464 -14.742 1.00 1.00 C ATOM 290 OE1 GLU A 26 -3.240 0.535 -13.725 1.00 1.00 O ATOM 291 OE2 GLU A 26 -3.614 -0.127 -15.787 1.00 1.00 O ATOM 0 H GLU A 26 -7.160 1.603 -12.215 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.017 1.455 -14.966 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.132 -0.085 -13.134 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.476 -0.679 -14.747 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -5.597 1.436 -15.718 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.261 2.039 -14.107 1.00 1.00 H new ATOM 298 N MET A 27 -9.385 -0.550 -12.769 1.00 1.00 N ATOM 299 CA MET A 27 -10.379 -1.603 -12.496 1.00 1.00 C ATOM 300 C MET A 27 -11.814 -1.008 -12.225 1.00 1.00 C ATOM 301 O MET A 27 -12.726 -1.733 -11.770 1.00 1.00 O ATOM 302 CB MET A 27 -9.891 -2.488 -11.324 1.00 1.00 C ATOM 303 CG MET A 27 -8.936 -3.608 -11.733 1.00 1.00 C ATOM 304 SD MET A 27 -9.759 -4.922 -12.655 1.00 1.00 S ATOM 305 CE MET A 27 -9.255 -6.364 -11.717 1.00 1.00 C ATOM 0 H MET A 27 -9.109 -0.031 -11.935 1.00 1.00 H new ATOM 0 HA MET A 27 -10.475 -2.225 -13.386 1.00 1.00 H new ATOM 0 HB2 MET A 27 -9.395 -1.855 -10.589 1.00 1.00 H new ATOM 0 HB3 MET A 27 -10.758 -2.928 -10.832 1.00 1.00 H new ATOM 0 HG2 MET A 27 -8.133 -3.191 -12.341 1.00 1.00 H new ATOM 0 HG3 MET A 27 -8.474 -4.030 -10.841 1.00 1.00 H new ATOM 0 HE1 MET A 27 -9.686 -7.259 -12.166 1.00 1.00 H new ATOM 0 HE2 MET A 27 -8.168 -6.442 -11.725 1.00 1.00 H new ATOM 0 HE3 MET A 27 -9.604 -6.269 -10.689 1.00 1.00 H new ATOM 315 N LEU A 28 -12.003 0.317 -12.528 1.00 1.00 N ATOM 316 CA LEU A 28 -13.296 1.029 -12.337 1.00 1.00 C ATOM 317 C LEU A 28 -14.193 1.039 -13.636 1.00 1.00 C ATOM 318 O LEU A 28 -15.169 1.823 -13.746 1.00 1.00 O ATOM 319 CB LEU A 28 -13.008 2.448 -11.779 1.00 1.00 C ATOM 320 CG LEU A 28 -13.940 2.918 -10.648 1.00 1.00 C ATOM 321 CD1 LEU A 28 -13.256 2.795 -9.289 1.00 1.00 C ATOM 322 CD2 LEU A 28 -14.396 4.345 -10.897 1.00 1.00 C ATOM 0 H LEU A 28 -11.265 0.910 -12.908 1.00 1.00 H new ATOM 0 HA LEU A 28 -13.895 0.484 -11.608 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -11.981 2.474 -11.414 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -13.073 3.162 -12.600 1.00 1.00 H new ATOM 0 HG LEU A 28 -14.818 2.273 -10.638 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -13.936 3.134 -8.507 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -12.987 1.754 -9.110 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -12.356 3.409 -9.278 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -15.054 4.663 -10.089 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -13.528 5.003 -10.938 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -14.934 4.395 -11.844 1.00 1.00 H new ATOM 334 N ILE A 29 -13.863 0.111 -14.579 1.00 1.00 N ATOM 335 CA ILE A 29 -14.569 -0.096 -15.886 1.00 1.00 C ATOM 336 C ILE A 29 -15.718 -1.176 -15.790 1.00 1.00 C ATOM 337 O ILE A 29 -16.310 -1.573 -16.823 1.00 1.00 O ATOM 338 CB ILE A 29 -13.564 -0.450 -17.080 1.00 1.00 C ATOM 339 CG1 ILE A 29 -12.449 -1.500 -16.743 1.00 1.00 C ATOM 340 CG2 ILE A 29 -12.917 0.824 -17.605 1.00 1.00 C ATOM 341 CD1 ILE A 29 -12.509 -2.748 -17.600 1.00 1.00 C ATOM 0 H ILE A 29 -13.081 -0.531 -14.452 1.00 1.00 H new ATOM 0 HA ILE A 29 -15.033 0.862 -16.119 1.00 1.00 H new ATOM 0 HB ILE A 29 -14.188 -0.927 -17.836 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -11.472 -1.032 -16.866 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -12.536 -1.785 -15.695 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -12.234 0.577 -18.418 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -13.689 1.499 -17.973 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -12.364 1.309 -16.801 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -11.708 -3.428 -17.310 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -13.471 -3.240 -17.459 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -12.391 -2.475 -18.649 1.00 1.00 H new ATOM 353 N ILE A 30 -16.046 -1.569 -14.531 1.00 1.00 N ATOM 354 CA ILE A 30 -17.061 -2.612 -14.201 1.00 1.00 C ATOM 355 C ILE A 30 -18.234 -1.948 -13.436 1.00 1.00 C ATOM 356 O ILE A 30 -18.014 -1.093 -12.557 1.00 1.00 O ATOM 357 CB ILE A 30 -16.470 -3.864 -13.355 1.00 1.00 C ATOM 358 CG1 ILE A 30 -15.064 -4.333 -13.841 1.00 1.00 C ATOM 359 CG2 ILE A 30 -17.400 -5.118 -13.421 1.00 1.00 C ATOM 360 CD1 ILE A 30 -13.996 -4.364 -12.761 1.00 1.00 C ATOM 0 H ILE A 30 -15.608 -1.166 -13.703 1.00 1.00 H new ATOM 0 HA ILE A 30 -17.403 -3.035 -15.145 1.00 1.00 H new ATOM 0 HB ILE A 30 -16.403 -3.479 -12.338 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -15.157 -5.331 -14.269 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -14.732 -3.672 -14.642 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -16.960 -5.928 -12.839 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -18.379 -4.867 -13.012 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -17.511 -5.435 -14.458 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -13.053 -4.702 -13.191 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -13.868 -3.364 -12.347 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -14.299 -5.049 -11.969 1.00 1.00 H new ATOM 372 N GLU A 31 -19.468 -2.382 -13.816 1.00 1.00 N ATOM 373 CA GLU A 31 -20.761 -1.940 -13.200 1.00 1.00 C ATOM 374 C GLU A 31 -21.134 -2.775 -11.931 1.00 1.00 C ATOM 375 O GLU A 31 -21.967 -2.324 -11.120 1.00 1.00 O ATOM 376 CB GLU A 31 -21.902 -2.013 -14.236 1.00 1.00 C ATOM 377 CG GLU A 31 -21.941 -0.843 -15.218 1.00 1.00 C ATOM 378 CD GLU A 31 -23.102 -0.934 -16.191 1.00 1.00 C ATOM 379 OE1 GLU A 31 -22.945 -1.584 -17.245 1.00 1.00 O ATOM 380 OE2 GLU A 31 -24.168 -0.352 -15.899 1.00 1.00 O ATOM 0 H GLU A 31 -19.599 -3.058 -14.569 1.00 1.00 H new ATOM 0 HA GLU A 31 -20.625 -0.907 -12.880 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -21.805 -2.941 -14.800 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -22.854 -2.059 -13.707 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -22.011 0.091 -14.661 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -21.006 -0.811 -15.777 1.00 1.00 H new ATOM 387 N ASN A 32 -20.486 -3.977 -11.786 1.00 1.00 N ATOM 388 CA ASN A 32 -20.656 -4.915 -10.638 1.00 1.00 C ATOM 389 C ASN A 32 -19.604 -4.642 -9.500 1.00 1.00 C ATOM 390 O ASN A 32 -19.482 -5.433 -8.535 1.00 1.00 O ATOM 391 CB ASN A 32 -20.574 -6.373 -11.158 1.00 1.00 C ATOM 392 CG ASN A 32 -21.866 -6.845 -11.804 1.00 1.00 C ATOM 393 OD1 ASN A 32 -22.881 -7.029 -11.132 1.00 1.00 O ATOM 394 ND2 ASN A 32 -21.831 -7.038 -13.116 1.00 1.00 N ATOM 0 H ASN A 32 -19.821 -4.321 -12.479 1.00 1.00 H new ATOM 0 HA ASN A 32 -21.636 -4.752 -10.190 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -19.763 -6.450 -11.882 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -20.325 -7.035 -10.329 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -22.668 -7.351 -13.608 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -20.967 -6.873 -13.633 1.00 1.00 H new ATOM 401 N PHE A 33 -18.928 -3.438 -9.583 1.00 1.00 N ATOM 402 CA PHE A 33 -17.873 -2.966 -8.626 1.00 1.00 C ATOM 403 C PHE A 33 -18.488 -2.468 -7.289 1.00 1.00 C ATOM 404 O PHE A 33 -17.885 -2.659 -6.229 1.00 1.00 O ATOM 405 CB PHE A 33 -16.964 -1.894 -9.272 1.00 1.00 C ATOM 406 CG PHE A 33 -15.508 -1.927 -8.794 1.00 1.00 C ATOM 407 CD1 PHE A 33 -14.571 -2.772 -9.392 1.00 1.00 C ATOM 408 CD2 PHE A 33 -15.091 -1.131 -7.732 1.00 1.00 C ATOM 409 CE1 PHE A 33 -13.267 -2.818 -8.939 1.00 1.00 C ATOM 410 CE2 PHE A 33 -13.783 -1.175 -7.283 1.00 1.00 C ATOM 411 CZ PHE A 33 -12.873 -2.020 -7.885 1.00 1.00 C ATOM 0 H PHE A 33 -19.110 -2.766 -10.329 1.00 1.00 H new ATOM 0 HA PHE A 33 -17.245 -3.824 -8.387 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -16.981 -2.024 -10.354 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -17.380 -0.908 -9.063 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -14.870 -3.398 -10.220 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -15.797 -0.470 -7.252 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -12.555 -3.479 -9.410 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -13.474 -0.547 -6.460 1.00 1.00 H new ATOM 0 HZ PHE A 33 -11.853 -2.056 -7.531 1.00 1.00 H new ATOM 421 N GLU A 34 -19.698 -1.808 -7.396 1.00 1.00 N ATOM 422 CA GLU A 34 -20.525 -1.268 -6.244 1.00 1.00 C ATOM 423 C GLU A 34 -20.937 -2.345 -5.185 1.00 1.00 C ATOM 424 O GLU A 34 -21.208 -1.992 -4.026 1.00 1.00 O ATOM 425 CB GLU A 34 -21.793 -0.580 -6.772 1.00 1.00 C ATOM 426 CG GLU A 34 -21.570 0.844 -7.269 1.00 1.00 C ATOM 427 CD GLU A 34 -22.858 1.518 -7.701 1.00 1.00 C ATOM 428 OE1 GLU A 34 -23.259 1.339 -8.869 1.00 1.00 O ATOM 429 OE2 GLU A 34 -23.467 2.223 -6.869 1.00 1.00 O ATOM 0 H GLU A 34 -20.134 -1.633 -8.301 1.00 1.00 H new ATOM 0 HA GLU A 34 -19.876 -0.556 -5.735 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -22.205 -1.177 -7.586 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -22.541 -0.563 -5.979 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -21.104 1.432 -6.479 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -20.874 0.828 -8.107 1.00 1.00 H new ATOM 436 N GLU A 35 -20.970 -3.646 -5.636 1.00 1.00 N ATOM 437 CA GLU A 35 -21.284 -4.845 -4.798 1.00 1.00 C ATOM 438 C GLU A 35 -20.024 -5.361 -4.044 1.00 1.00 C ATOM 439 O GLU A 35 -20.119 -5.689 -2.851 1.00 1.00 O ATOM 440 CB GLU A 35 -21.877 -5.985 -5.664 1.00 1.00 C ATOM 441 CG GLU A 35 -23.343 -5.813 -6.046 1.00 1.00 C ATOM 442 CD GLU A 35 -23.857 -6.971 -6.882 1.00 1.00 C ATOM 443 OE1 GLU A 35 -23.700 -6.926 -8.120 1.00 1.00 O ATOM 444 OE2 GLU A 35 -24.409 -7.927 -6.297 1.00 1.00 O ATOM 0 H GLU A 35 -20.775 -3.887 -6.608 1.00 1.00 H new ATOM 0 HA GLU A 35 -22.024 -4.536 -4.060 1.00 1.00 H new ATOM 0 HB2 GLU A 35 -21.288 -6.071 -6.577 1.00 1.00 H new ATOM 0 HB3 GLU A 35 -21.766 -6.925 -5.124 1.00 1.00 H new ATOM 0 HG2 GLU A 35 -23.945 -5.725 -5.141 1.00 1.00 H new ATOM 0 HG3 GLU A 35 -23.465 -4.883 -6.602 1.00 1.00 H new ATOM 451 N ILE A 36 -18.845 -5.421 -4.776 1.00 1.00 N ATOM 452 CA ILE A 36 -17.499 -5.867 -4.244 1.00 1.00 C ATOM 453 C ILE A 36 -16.883 -4.769 -3.273 1.00 1.00 C ATOM 454 O ILE A 36 -16.326 -5.128 -2.223 1.00 1.00 O ATOM 455 CB ILE A 36 -16.456 -6.294 -5.409 1.00 1.00 C ATOM 456 CG1 ILE A 36 -17.066 -7.313 -6.422 1.00 1.00 C ATOM 457 CG2 ILE A 36 -15.190 -6.979 -4.814 1.00 1.00 C ATOM 458 CD1 ILE A 36 -16.830 -6.981 -7.896 1.00 1.00 C ATOM 0 H ILE A 36 -18.808 -5.157 -5.761 1.00 1.00 H new ATOM 0 HA ILE A 36 -17.678 -6.774 -3.667 1.00 1.00 H new ATOM 0 HB ILE A 36 -16.207 -5.362 -5.917 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -16.650 -8.299 -6.216 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -18.140 -7.377 -6.247 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -14.511 -7.253 -5.622 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -14.688 -6.289 -4.136 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -15.484 -7.875 -4.268 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -17.291 -7.747 -8.520 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -17.272 -6.011 -8.126 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -15.759 -6.948 -8.095 1.00 1.00 H new ATOM 470 N VAL A 37 -17.002 -3.458 -3.678 1.00 1.00 N ATOM 471 CA VAL A 37 -16.484 -2.265 -2.924 1.00 1.00 C ATOM 472 C VAL A 37 -17.242 -1.981 -1.540 1.00 1.00 C ATOM 473 O VAL A 37 -16.776 -1.143 -0.748 1.00 1.00 O ATOM 474 CB VAL A 37 -16.378 -1.008 -3.923 1.00 1.00 C ATOM 475 CG1 VAL A 37 -17.683 -0.186 -4.134 1.00 1.00 C ATOM 476 CG2 VAL A 37 -15.219 -0.076 -3.538 1.00 1.00 C ATOM 0 H VAL A 37 -17.467 -3.201 -4.549 1.00 1.00 H new ATOM 0 HA VAL A 37 -15.475 -2.486 -2.576 1.00 1.00 H new ATOM 0 HB VAL A 37 -16.181 -1.472 -4.889 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -17.489 0.634 -4.826 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -18.458 -0.833 -4.546 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -18.018 0.217 -3.178 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -15.179 0.761 -4.235 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -15.375 0.300 -2.527 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -14.280 -0.628 -3.579 1.00 1.00 H new ATOM 486 N LYS A 38 -18.421 -2.642 -1.362 1.00 1.00 N ATOM 487 CA LYS A 38 -19.259 -2.571 -0.133 1.00 1.00 C ATOM 488 C LYS A 38 -18.917 -3.693 0.883 1.00 1.00 C ATOM 489 O LYS A 38 -19.200 -3.531 2.088 1.00 1.00 O ATOM 490 CB LYS A 38 -20.748 -2.658 -0.504 1.00 1.00 C ATOM 491 CG LYS A 38 -21.360 -1.333 -0.937 1.00 1.00 C ATOM 492 CD LYS A 38 -22.810 -1.501 -1.353 1.00 1.00 C ATOM 493 CE LYS A 38 -23.422 -0.177 -1.776 1.00 1.00 C ATOM 494 NZ LYS A 38 -24.840 -0.333 -2.200 1.00 1.00 N ATOM 0 H LYS A 38 -18.820 -3.247 -2.080 1.00 1.00 H new ATOM 0 HA LYS A 38 -19.044 -1.614 0.343 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -20.869 -3.382 -1.310 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -21.303 -3.039 0.353 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -21.296 -0.616 -0.118 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -20.787 -0.920 -1.768 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -22.874 -2.213 -2.176 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -23.382 -1.920 -0.525 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -23.366 0.530 -0.948 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -22.842 0.246 -2.596 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -25.222 0.593 -2.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -24.891 -0.988 -3.006 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -25.399 -0.713 -1.409 1.00 1.00 H new ATOM 508 N ASP A 39 -18.304 -4.807 0.371 1.00 1.00 N ATOM 509 CA ASP A 39 -17.903 -5.972 1.163 1.00 1.00 C ATOM 510 C ASP A 39 -16.394 -6.260 1.012 1.00 1.00 C ATOM 511 O ASP A 39 -15.908 -6.699 -0.058 1.00 1.00 O ATOM 512 CB ASP A 39 -18.758 -7.202 0.780 1.00 1.00 C ATOM 513 CG ASP A 39 -20.027 -7.313 1.602 1.00 1.00 C ATOM 514 OD1 ASP A 39 -19.931 -7.638 2.804 1.00 1.00 O ATOM 515 OD2 ASP A 39 -21.119 -7.081 1.040 1.00 1.00 O ATOM 0 H ASP A 39 -18.080 -4.902 -0.620 1.00 1.00 H new ATOM 0 HA ASP A 39 -18.082 -5.750 2.215 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -19.019 -7.143 -0.277 1.00 1.00 H new ATOM 0 HB3 ASP A 39 -18.165 -8.107 0.912 1.00 1.00 H new ATOM 520 N ARG A 40 -15.648 -5.926 2.109 1.00 1.00 N ATOM 521 CA ARG A 40 -14.155 -6.165 2.277 1.00 1.00 C ATOM 522 C ARG A 40 -13.735 -7.665 2.147 1.00 1.00 C ATOM 523 O ARG A 40 -12.659 -7.965 1.605 1.00 1.00 O ATOM 524 CB ARG A 40 -13.628 -5.537 3.625 1.00 1.00 C ATOM 525 CG ARG A 40 -14.383 -5.912 4.941 1.00 1.00 C ATOM 526 CD ARG A 40 -14.760 -4.671 5.724 1.00 1.00 C ATOM 527 NE ARG A 40 -15.457 -5.007 6.989 1.00 1.00 N ATOM 528 CZ ARG A 40 -15.535 -4.244 8.120 1.00 1.00 C ATOM 529 NH1 ARG A 40 -14.974 -3.021 8.240 1.00 1.00 N ATOM 530 NH2 ARG A 40 -16.201 -4.732 9.156 1.00 1.00 N ATOM 0 H ARG A 40 -16.063 -5.474 2.924 1.00 1.00 H new ATOM 0 HA ARG A 40 -13.676 -5.654 1.442 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -12.583 -5.824 3.744 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -13.651 -4.452 3.522 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -15.281 -6.481 4.700 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -13.753 -6.556 5.555 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -13.862 -4.095 5.946 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -15.402 -4.037 5.113 1.00 1.00 H new ATOM 0 HE ARG A 40 -15.932 -5.909 7.018 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -14.457 -2.618 7.459 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -15.068 -2.500 9.112 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -16.637 -5.652 9.095 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -16.278 -4.188 10.015 1.00 1.00 H new ATOM 544 N GLU A 41 -14.658 -8.568 2.620 1.00 1.00 N ATOM 545 CA GLU A 41 -14.534 -10.057 2.563 1.00 1.00 C ATOM 546 C GLU A 41 -14.592 -10.601 1.104 1.00 1.00 C ATOM 547 O GLU A 41 -13.946 -11.616 0.803 1.00 1.00 O ATOM 548 CB GLU A 41 -15.648 -10.682 3.406 1.00 1.00 C ATOM 549 CG GLU A 41 -15.159 -11.729 4.392 1.00 1.00 C ATOM 550 CD GLU A 41 -16.292 -12.371 5.171 1.00 1.00 C ATOM 551 OE1 GLU A 41 -16.760 -11.761 6.156 1.00 1.00 O ATOM 552 OE2 GLU A 41 -16.716 -13.483 4.792 1.00 1.00 O ATOM 0 H GLU A 41 -15.527 -8.267 3.061 1.00 1.00 H new ATOM 0 HA GLU A 41 -13.558 -10.331 2.963 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -16.162 -9.892 3.954 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -16.382 -11.138 2.741 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -14.610 -12.501 3.854 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -14.459 -11.268 5.089 1.00 1.00 H new ATOM 559 N ARG A 42 -15.399 -9.894 0.235 1.00 1.00 N ATOM 560 CA ARG A 42 -15.558 -10.170 -1.221 1.00 1.00 C ATOM 561 C ARG A 42 -14.420 -9.538 -2.075 1.00 1.00 C ATOM 562 O ARG A 42 -14.030 -10.129 -3.094 1.00 1.00 O ATOM 563 CB ARG A 42 -16.921 -9.665 -1.724 1.00 1.00 C ATOM 564 CG ARG A 42 -18.086 -10.617 -1.462 1.00 1.00 C ATOM 565 CD ARG A 42 -19.398 -10.043 -1.982 1.00 1.00 C ATOM 566 NE ARG A 42 -20.540 -10.970 -1.769 1.00 1.00 N ATOM 567 CZ ARG A 42 -21.787 -10.898 -2.334 1.00 1.00 C ATOM 568 NH1 ARG A 42 -22.169 -9.925 -3.187 1.00 1.00 N ATOM 569 NH2 ARG A 42 -22.673 -11.836 -2.023 1.00 1.00 N ATOM 0 H ARG A 42 -15.963 -9.103 0.546 1.00 1.00 H new ATOM 0 HA ARG A 42 -15.501 -11.252 -1.340 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -17.137 -8.708 -1.250 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -16.853 -9.481 -2.796 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -17.890 -11.576 -1.943 1.00 1.00 H new ATOM 0 HG3 ARG A 42 -18.169 -10.808 -0.392 1.00 1.00 H new ATOM 0 HD2 ARG A 42 -19.602 -9.097 -1.481 1.00 1.00 H new ATOM 0 HD3 ARG A 42 -19.302 -9.827 -3.046 1.00 1.00 H new ATOM 0 HE ARG A 42 -20.378 -11.748 -1.130 1.00 1.00 H new ATOM 0 HH11 ARG A 42 -21.514 -9.187 -3.445 1.00 1.00 H new ATOM 0 HH12 ARG A 42 -23.113 -9.928 -3.574 1.00 1.00 H new ATOM 0 HH21 ARG A 42 -22.418 -12.585 -1.379 1.00 1.00 H new ATOM 0 HH22 ARG A 42 -23.609 -11.808 -2.428 1.00 1.00 H new ATOM 583 N PHE A 43 -13.908 -8.317 -1.639 1.00 1.00 N ATOM 584 CA PHE A 43 -12.802 -7.551 -2.311 1.00 1.00 C ATOM 585 C PHE A 43 -11.409 -8.214 -2.108 1.00 1.00 C ATOM 586 O PHE A 43 -10.681 -8.377 -3.095 1.00 1.00 O ATOM 587 CB PHE A 43 -12.789 -6.064 -1.828 1.00 1.00 C ATOM 588 CG PHE A 43 -12.256 -5.044 -2.836 1.00 1.00 C ATOM 589 CD1 PHE A 43 -10.885 -4.845 -2.999 1.00 1.00 C ATOM 590 CD2 PHE A 43 -13.129 -4.287 -3.610 1.00 1.00 C ATOM 591 CE1 PHE A 43 -10.405 -3.924 -3.906 1.00 1.00 C ATOM 592 CE2 PHE A 43 -12.647 -3.361 -4.520 1.00 1.00 C ATOM 593 CZ PHE A 43 -11.286 -3.183 -4.667 1.00 1.00 C ATOM 0 H PHE A 43 -14.263 -7.847 -0.806 1.00 1.00 H new ATOM 0 HA PHE A 43 -13.005 -7.570 -3.382 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -13.806 -5.781 -1.555 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -12.187 -6.001 -0.922 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -10.189 -5.421 -2.406 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -14.195 -4.423 -3.500 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -9.340 -3.783 -4.021 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -13.335 -2.779 -5.114 1.00 1.00 H new ATOM 0 HZ PHE A 43 -10.910 -2.463 -5.379 1.00 1.00 H new ATOM 603 N LEU A 44 -11.086 -8.632 -0.830 1.00 1.00 N ATOM 604 CA LEU A 44 -9.801 -9.323 -0.446 1.00 1.00 C ATOM 605 C LEU A 44 -9.706 -10.761 -1.028 1.00 1.00 C ATOM 606 O LEU A 44 -8.611 -11.221 -1.360 1.00 1.00 O ATOM 607 CB LEU A 44 -9.637 -9.349 1.084 1.00 1.00 C ATOM 608 CG LEU A 44 -9.067 -8.064 1.708 1.00 1.00 C ATOM 609 CD1 LEU A 44 -9.851 -7.684 2.951 1.00 1.00 C ATOM 610 CD2 LEU A 44 -7.589 -8.228 2.052 1.00 1.00 C ATOM 0 H LEU A 44 -11.714 -8.497 -0.038 1.00 1.00 H new ATOM 0 HA LEU A 44 -8.985 -8.746 -0.881 1.00 1.00 H new ATOM 0 HB2 LEU A 44 -10.609 -9.551 1.533 1.00 1.00 H new ATOM 0 HB3 LEU A 44 -8.985 -10.181 1.349 1.00 1.00 H new ATOM 0 HG LEU A 44 -9.161 -7.266 0.972 1.00 1.00 H new ATOM 0 HD11 LEU A 44 -9.434 -6.773 3.380 1.00 1.00 H new ATOM 0 HD12 LEU A 44 -10.895 -7.516 2.686 1.00 1.00 H new ATOM 0 HD13 LEU A 44 -9.788 -8.490 3.682 1.00 1.00 H new ATOM 0 HD21 LEU A 44 -7.213 -7.304 2.491 1.00 1.00 H new ATOM 0 HD22 LEU A 44 -7.470 -9.044 2.765 1.00 1.00 H new ATOM 0 HD23 LEU A 44 -7.027 -8.453 1.146 1.00 1.00 H new ATOM 622 N ALA A 45 -10.904 -11.429 -1.136 1.00 1.00 N ATOM 623 CA ALA A 45 -11.098 -12.790 -1.729 1.00 1.00 C ATOM 624 C ALA A 45 -10.960 -12.801 -3.278 1.00 1.00 C ATOM 625 O ALA A 45 -10.525 -13.815 -3.843 1.00 1.00 O ATOM 626 CB ALA A 45 -12.452 -13.350 -1.338 1.00 1.00 C ATOM 0 H ALA A 45 -11.778 -11.022 -0.804 1.00 1.00 H new ATOM 0 HA ALA A 45 -10.303 -13.418 -1.326 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -12.577 -14.340 -1.777 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -12.515 -13.424 -0.252 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -13.238 -12.689 -1.703 1.00 1.00 H new ATOM 632 N GLN A 46 -11.356 -11.648 -3.933 1.00 1.00 N ATOM 633 CA GLN A 46 -11.270 -11.429 -5.409 1.00 1.00 C ATOM 634 C GLN A 46 -9.836 -11.054 -5.871 1.00 1.00 C ATOM 635 O GLN A 46 -9.422 -11.507 -6.936 1.00 1.00 O ATOM 636 CB GLN A 46 -12.265 -10.347 -5.860 1.00 1.00 C ATOM 637 CG GLN A 46 -13.091 -10.750 -7.081 1.00 1.00 C ATOM 638 CD GLN A 46 -14.064 -9.674 -7.537 1.00 1.00 C ATOM 639 OE1 GLN A 46 -13.666 -8.615 -8.038 1.00 1.00 O ATOM 640 NE2 GLN A 46 -15.349 -9.946 -7.369 1.00 1.00 N ATOM 0 H GLN A 46 -11.745 -10.847 -3.436 1.00 1.00 H new ATOM 0 HA GLN A 46 -11.530 -12.377 -5.880 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -12.939 -10.118 -5.035 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -11.717 -9.433 -6.087 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -12.417 -10.991 -7.903 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -13.648 -11.658 -6.849 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -15.632 -10.832 -6.951 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -16.056 -9.269 -7.657 1.00 1.00 H new ATOM 649 N VAL A 47 -9.089 -10.238 -5.034 1.00 1.00 N ATOM 650 CA VAL A 47 -7.652 -9.790 -5.286 1.00 1.00 C ATOM 651 C VAL A 47 -6.677 -11.033 -5.148 1.00 1.00 C ATOM 652 O VAL A 47 -5.763 -11.182 -5.971 1.00 1.00 O ATOM 653 CB VAL A 47 -7.206 -8.536 -4.348 1.00 1.00 C ATOM 654 CG1 VAL A 47 -5.763 -8.008 -4.589 1.00 1.00 C ATOM 655 CG2 VAL A 47 -8.126 -7.320 -4.508 1.00 1.00 C ATOM 0 H VAL A 47 -9.467 -9.870 -4.161 1.00 1.00 H new ATOM 0 HA VAL A 47 -7.587 -9.412 -6.306 1.00 1.00 H new ATOM 0 HB VAL A 47 -7.270 -8.969 -3.350 1.00 1.00 H new ATOM 0 HG11 VAL A 47 -5.564 -7.174 -3.916 1.00 1.00 H new ATOM 0 HG12 VAL A 47 -5.047 -8.807 -4.399 1.00 1.00 H new ATOM 0 HG13 VAL A 47 -5.666 -7.672 -5.621 1.00 1.00 H new ATOM 0 HG21 VAL A 47 -7.781 -6.515 -3.859 1.00 1.00 H new ATOM 0 HG22 VAL A 47 -8.108 -6.984 -5.545 1.00 1.00 H new ATOM 0 HG23 VAL A 47 -9.144 -7.596 -4.234 1.00 1.00 H new ATOM 665 N GLU A 48 -6.933 -11.900 -4.103 1.00 1.00 N ATOM 666 CA GLU A 48 -6.155 -13.163 -3.792 1.00 1.00 C ATOM 667 C GLU A 48 -6.379 -14.308 -4.835 1.00 1.00 C ATOM 668 O GLU A 48 -5.501 -15.176 -4.984 1.00 1.00 O ATOM 669 CB GLU A 48 -6.505 -13.694 -2.380 1.00 1.00 C ATOM 670 CG GLU A 48 -5.969 -12.845 -1.218 1.00 1.00 C ATOM 671 CD GLU A 48 -6.160 -13.501 0.135 1.00 1.00 C ATOM 672 OE1 GLU A 48 -7.234 -13.305 0.743 1.00 1.00 O ATOM 673 OE2 GLU A 48 -5.233 -14.203 0.593 1.00 1.00 O ATOM 0 H GLU A 48 -7.695 -11.739 -3.445 1.00 1.00 H new ATOM 0 HA GLU A 48 -5.105 -12.876 -3.840 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -7.589 -13.761 -2.292 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -6.114 -14.707 -2.281 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -4.908 -12.653 -1.375 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -6.472 -11.878 -1.220 1.00 1.00 H new ATOM 680 N GLU A 49 -7.564 -14.273 -5.519 1.00 1.00 N ATOM 681 CA GLU A 49 -7.981 -15.255 -6.569 1.00 1.00 C ATOM 682 C GLU A 49 -7.670 -14.776 -8.010 1.00 1.00 C ATOM 683 O GLU A 49 -7.503 -15.628 -8.904 1.00 1.00 O ATOM 684 CB GLU A 49 -9.489 -15.560 -6.463 1.00 1.00 C ATOM 685 CG GLU A 49 -9.869 -16.499 -5.319 1.00 1.00 C ATOM 686 CD GLU A 49 -11.355 -16.805 -5.277 1.00 1.00 C ATOM 687 OE1 GLU A 49 -12.104 -16.025 -4.650 1.00 1.00 O ATOM 688 OE2 GLU A 49 -11.770 -17.822 -5.870 1.00 1.00 O ATOM 0 H GLU A 49 -8.265 -13.551 -5.353 1.00 1.00 H new ATOM 0 HA GLU A 49 -7.396 -16.155 -6.382 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -10.028 -14.621 -6.339 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -9.825 -15.999 -7.403 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -9.314 -17.431 -5.421 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -9.568 -16.051 -4.372 1.00 1.00 H new ATOM 695 N PHE A 50 -7.593 -13.423 -8.207 1.00 1.00 N ATOM 696 CA PHE A 50 -7.319 -12.798 -9.517 1.00 1.00 C ATOM 697 C PHE A 50 -5.881 -12.308 -9.616 1.00 1.00 C ATOM 698 O PHE A 50 -5.323 -11.783 -8.634 1.00 1.00 O ATOM 699 CB PHE A 50 -8.289 -11.627 -9.796 1.00 1.00 C ATOM 700 CG PHE A 50 -9.025 -11.707 -11.121 1.00 1.00 C ATOM 701 CD1 PHE A 50 -10.258 -12.346 -11.214 1.00 1.00 C ATOM 702 CD2 PHE A 50 -8.491 -11.127 -12.269 1.00 1.00 C ATOM 703 CE1 PHE A 50 -10.934 -12.409 -12.417 1.00 1.00 C ATOM 704 CE2 PHE A 50 -9.168 -11.186 -13.471 1.00 1.00 C ATOM 705 CZ PHE A 50 -10.389 -11.829 -13.547 1.00 1.00 C ATOM 0 H PHE A 50 -7.721 -12.746 -7.455 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.474 -13.570 -10.271 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.023 -11.583 -8.992 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.727 -10.694 -9.765 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.692 -12.798 -10.334 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -7.536 -10.625 -12.219 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -11.888 -12.911 -12.475 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -8.743 -10.729 -14.353 1.00 1.00 H new ATOM 0 HZ PHE A 50 -10.917 -11.878 -14.488 1.00 1.00 H new ATOM 715 N VAL A 51 -5.312 -12.492 -10.835 1.00 1.00 N ATOM 716 CA VAL A 51 -3.936 -12.093 -11.202 1.00 1.00 C ATOM 717 C VAL A 51 -3.894 -10.660 -11.787 1.00 1.00 C ATOM 718 O VAL A 51 -4.890 -10.198 -12.384 1.00 1.00 O ATOM 719 CB VAL A 51 -3.203 -13.100 -12.187 1.00 1.00 C ATOM 720 CG1 VAL A 51 -2.537 -14.208 -11.398 1.00 1.00 C ATOM 721 CG2 VAL A 51 -4.071 -13.735 -13.306 1.00 1.00 C ATOM 0 H VAL A 51 -5.813 -12.933 -11.606 1.00 1.00 H new ATOM 0 HA VAL A 51 -3.383 -12.120 -10.263 1.00 1.00 H new ATOM 0 HB VAL A 51 -2.482 -12.471 -12.709 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -2.037 -14.893 -12.083 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -1.804 -13.778 -10.715 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -3.290 -14.751 -10.827 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -3.455 -14.402 -13.910 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -4.887 -14.302 -12.857 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -4.481 -12.948 -13.939 1.00 1.00 H new ATOM 731 N PHE A 52 -2.725 -10.005 -11.604 1.00 1.00 N ATOM 732 CA PHE A 52 -2.482 -8.622 -12.071 1.00 1.00 C ATOM 733 C PHE A 52 -1.253 -8.574 -12.974 1.00 1.00 C ATOM 734 O PHE A 52 -0.262 -9.292 -12.730 1.00 1.00 O ATOM 735 CB PHE A 52 -2.310 -7.637 -10.882 1.00 1.00 C ATOM 736 CG PHE A 52 -3.526 -7.481 -9.976 1.00 1.00 C ATOM 737 CD1 PHE A 52 -4.514 -6.539 -10.251 1.00 1.00 C ATOM 738 CD2 PHE A 52 -3.676 -8.288 -8.855 1.00 1.00 C ATOM 739 CE1 PHE A 52 -5.617 -6.412 -9.430 1.00 1.00 C ATOM 740 CE2 PHE A 52 -4.777 -8.162 -8.031 1.00 1.00 C ATOM 741 CZ PHE A 52 -5.750 -7.224 -8.319 1.00 1.00 C ATOM 0 H PHE A 52 -1.924 -10.421 -11.128 1.00 1.00 H new ATOM 0 HA PHE A 52 -3.357 -8.309 -12.640 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -1.468 -7.971 -10.276 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -2.048 -6.657 -11.280 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -4.416 -5.900 -11.116 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -2.921 -9.025 -8.625 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.376 -5.678 -9.656 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.877 -8.796 -7.162 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.613 -7.125 -7.677 1.00 1.00 H new ATOM 751 N LYS A 53 -1.344 -7.691 -14.000 1.00 1.00 N ATOM 752 CA LYS A 53 -0.287 -7.474 -15.017 1.00 1.00 C ATOM 753 C LYS A 53 0.591 -6.280 -14.650 1.00 1.00 C ATOM 754 O LYS A 53 0.072 -5.255 -14.163 1.00 1.00 O ATOM 755 CB LYS A 53 -0.906 -7.249 -16.401 1.00 1.00 C ATOM 756 CG LYS A 53 -1.212 -8.533 -17.156 1.00 1.00 C ATOM 757 CD LYS A 53 -1.894 -8.250 -18.484 1.00 1.00 C ATOM 758 CE LYS A 53 -2.182 -9.531 -19.247 1.00 1.00 C ATOM 759 NZ LYS A 53 -2.860 -9.259 -20.543 1.00 1.00 N ATOM 0 H LYS A 53 -2.165 -7.103 -14.145 1.00 1.00 H new ATOM 0 HA LYS A 53 0.333 -8.370 -15.044 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -1.827 -6.678 -16.287 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -0.226 -6.642 -16.998 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -0.287 -9.083 -17.331 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -1.852 -9.171 -16.546 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -2.826 -7.713 -18.308 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -1.261 -7.600 -19.088 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -1.249 -10.064 -19.429 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -2.808 -10.184 -18.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -3.040 -10.157 -21.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -3.763 -8.773 -20.367 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -2.252 -8.657 -21.133 1.00 1.00 H new ATOM 773 N CYS A 54 1.917 -6.445 -14.903 1.00 1.00 N ATOM 774 CA CYS A 54 2.930 -5.420 -14.614 1.00 1.00 C ATOM 775 C CYS A 54 3.236 -4.528 -15.863 1.00 1.00 C ATOM 776 O CYS A 54 3.444 -5.106 -16.947 1.00 1.00 O ATOM 777 CB CYS A 54 4.224 -6.062 -14.087 1.00 1.00 C ATOM 778 SG CYS A 54 5.428 -4.864 -13.408 1.00 1.00 S ATOM 0 H CYS A 54 2.303 -7.295 -15.313 1.00 1.00 H new ATOM 0 HA CYS A 54 2.517 -4.773 -13.840 1.00 1.00 H new ATOM 0 HB2 CYS A 54 3.969 -6.784 -13.311 1.00 1.00 H new ATOM 0 HB3 CYS A 54 4.697 -6.618 -14.897 1.00 1.00 H new ATOM 0 HG CYS A 54 5.203 -4.695 -12.139 1.00 1.00 H new ATOM 783 N PRO A 55 3.239 -3.097 -15.753 1.00 1.00 N ATOM 784 CA PRO A 55 3.581 -2.197 -16.918 1.00 1.00 C ATOM 785 C PRO A 55 5.124 -2.117 -17.254 1.00 1.00 C ATOM 786 O PRO A 55 5.513 -1.485 -18.255 1.00 1.00 O ATOM 787 CB PRO A 55 3.029 -0.813 -16.464 1.00 1.00 C ATOM 788 CG PRO A 55 3.079 -0.813 -14.952 1.00 1.00 C ATOM 789 CD PRO A 55 2.864 -2.256 -14.535 1.00 1.00 C ATOM 0 HA PRO A 55 3.149 -2.572 -17.846 1.00 1.00 H new ATOM 0 HB2 PRO A 55 3.630 -0.001 -16.873 1.00 1.00 H new ATOM 0 HB3 PRO A 55 2.009 -0.665 -16.820 1.00 1.00 H new ATOM 0 HG2 PRO A 55 4.038 -0.440 -14.592 1.00 1.00 H new ATOM 0 HG3 PRO A 55 2.308 -0.166 -14.535 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.484 -2.512 -13.676 1.00 1.00 H new ATOM 0 HD3 PRO A 55 1.828 -2.429 -14.243 1.00 1.00 H new ATOM 797 N VAL A 56 5.939 -2.796 -16.394 1.00 1.00 N ATOM 798 CA VAL A 56 7.428 -2.814 -16.449 1.00 1.00 C ATOM 799 C VAL A 56 7.923 -4.112 -17.155 1.00 1.00 C ATOM 800 O VAL A 56 8.691 -4.005 -18.131 1.00 1.00 O ATOM 801 CB VAL A 56 8.122 -2.661 -14.995 1.00 1.00 C ATOM 802 CG1 VAL A 56 9.504 -1.987 -15.074 1.00 1.00 C ATOM 803 CG2 VAL A 56 7.271 -1.880 -13.958 1.00 1.00 C ATOM 0 H VAL A 56 5.568 -3.357 -15.627 1.00 1.00 H new ATOM 0 HA VAL A 56 7.732 -1.942 -17.028 1.00 1.00 H new ATOM 0 HB VAL A 56 8.219 -3.691 -14.652 1.00 1.00 H new ATOM 0 HG11 VAL A 56 9.928 -1.908 -14.073 1.00 1.00 H new ATOM 0 HG12 VAL A 56 10.165 -2.585 -15.702 1.00 1.00 H new ATOM 0 HG13 VAL A 56 9.399 -0.991 -15.504 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.810 -1.825 -13.012 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.082 -0.872 -14.328 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.322 -2.394 -13.805 1.00 1.00 H new ATOM 813 N CYS A 57 7.480 -5.305 -16.644 1.00 1.00 N ATOM 814 CA CYS A 57 7.861 -6.621 -17.196 1.00 1.00 C ATOM 815 C CYS A 57 6.733 -7.220 -18.067 1.00 1.00 C ATOM 816 O CYS A 57 7.006 -7.595 -19.225 1.00 1.00 O ATOM 817 CB CYS A 57 8.317 -7.580 -16.065 1.00 1.00 C ATOM 818 SG CYS A 57 7.110 -7.833 -14.712 1.00 1.00 S ATOM 0 H CYS A 57 6.853 -5.366 -15.842 1.00 1.00 H new ATOM 0 HA CYS A 57 8.714 -6.480 -17.859 1.00 1.00 H new ATOM 0 HB2 CYS A 57 8.550 -8.549 -16.506 1.00 1.00 H new ATOM 0 HB3 CYS A 57 9.242 -7.194 -15.636 1.00 1.00 H new ATOM 0 HG CYS A 57 6.747 -6.680 -14.233 1.00 1.00 H new ATOM 823 N GLY A 58 5.489 -7.298 -17.498 1.00 1.00 N ATOM 824 CA GLY A 58 4.300 -7.824 -18.205 1.00 1.00 C ATOM 825 C GLY A 58 3.897 -9.250 -17.799 1.00 1.00 C ATOM 826 O GLY A 58 3.214 -9.929 -18.589 1.00 1.00 O ATOM 0 H GLY A 58 5.295 -6.997 -16.543 1.00 1.00 H new ATOM 0 HA2 GLY A 58 3.459 -7.156 -18.021 1.00 1.00 H new ATOM 0 HA3 GLY A 58 4.493 -7.806 -19.278 1.00 1.00 H new ATOM 830 N GLU A 59 4.331 -9.682 -16.577 1.00 1.00 N ATOM 831 CA GLU A 59 4.033 -11.008 -15.998 1.00 1.00 C ATOM 832 C GLU A 59 2.889 -10.925 -14.982 1.00 1.00 C ATOM 833 O GLU A 59 2.768 -9.915 -14.257 1.00 1.00 O ATOM 834 CB GLU A 59 5.278 -11.580 -15.308 1.00 1.00 C ATOM 835 CG GLU A 59 6.207 -12.379 -16.235 1.00 1.00 C ATOM 836 CD GLU A 59 5.927 -13.876 -16.200 1.00 1.00 C ATOM 837 OE1 GLU A 59 6.341 -14.537 -15.222 1.00 1.00 O ATOM 838 OE2 GLU A 59 5.296 -14.384 -17.150 1.00 1.00 O ATOM 0 H GLU A 59 4.906 -9.102 -15.966 1.00 1.00 H new ATOM 0 HA GLU A 59 3.731 -11.664 -16.815 1.00 1.00 H new ATOM 0 HB2 GLU A 59 5.843 -10.759 -14.867 1.00 1.00 H new ATOM 0 HB3 GLU A 59 4.960 -12.225 -14.489 1.00 1.00 H new ATOM 0 HG2 GLU A 59 6.094 -12.016 -17.257 1.00 1.00 H new ATOM 0 HG3 GLU A 59 7.243 -12.200 -15.946 1.00 1.00 H new ATOM 845 N GLU A 60 2.068 -12.018 -14.943 1.00 1.00 N ATOM 846 CA GLU A 60 0.902 -12.167 -14.031 1.00 1.00 C ATOM 847 C GLU A 60 1.321 -12.696 -12.646 1.00 1.00 C ATOM 848 O GLU A 60 2.100 -13.663 -12.543 1.00 1.00 O ATOM 849 CB GLU A 60 -0.132 -13.103 -14.680 1.00 1.00 C ATOM 850 CG GLU A 60 -1.092 -12.391 -15.642 1.00 1.00 C ATOM 851 CD GLU A 60 -1.829 -13.340 -16.580 1.00 1.00 C ATOM 852 OE1 GLU A 60 -2.722 -14.082 -16.116 1.00 1.00 O ATOM 853 OE2 GLU A 60 -1.520 -13.326 -17.790 1.00 1.00 O ATOM 0 H GLU A 60 2.203 -12.825 -15.552 1.00 1.00 H new ATOM 0 HA GLU A 60 0.459 -11.183 -13.874 1.00 1.00 H new ATOM 0 HB2 GLU A 60 0.393 -13.890 -15.221 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -0.712 -13.588 -13.895 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -1.822 -11.826 -15.062 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -0.530 -11.670 -16.236 1.00 1.00 H new ATOM 860 N PHE A 61 0.768 -12.017 -11.615 1.00 1.00 N ATOM 861 CA PHE A 61 1.009 -12.303 -10.178 1.00 1.00 C ATOM 862 C PHE A 61 -0.324 -12.346 -9.414 1.00 1.00 C ATOM 863 O PHE A 61 -1.255 -11.586 -9.746 1.00 1.00 O ATOM 864 CB PHE A 61 2.025 -11.279 -9.533 1.00 1.00 C ATOM 865 CG PHE A 61 1.706 -9.786 -9.666 1.00 1.00 C ATOM 866 CD1 PHE A 61 0.942 -9.141 -8.706 1.00 1.00 C ATOM 867 CD2 PHE A 61 2.164 -9.057 -10.751 1.00 1.00 C ATOM 868 CE1 PHE A 61 0.640 -7.799 -8.825 1.00 1.00 C ATOM 869 CE2 PHE A 61 1.866 -7.711 -10.874 1.00 1.00 C ATOM 870 CZ PHE A 61 1.103 -7.083 -9.910 1.00 1.00 C ATOM 0 H PHE A 61 0.127 -11.237 -11.760 1.00 1.00 H new ATOM 0 HA PHE A 61 1.476 -13.285 -10.102 1.00 1.00 H new ATOM 0 HB2 PHE A 61 2.108 -11.512 -8.471 1.00 1.00 H new ATOM 0 HB3 PHE A 61 3.006 -11.454 -9.976 1.00 1.00 H new ATOM 0 HD1 PHE A 61 0.578 -9.696 -7.854 1.00 1.00 H new ATOM 0 HD2 PHE A 61 2.760 -9.544 -11.509 1.00 1.00 H new ATOM 0 HE1 PHE A 61 0.042 -7.310 -8.070 1.00 1.00 H new ATOM 0 HE2 PHE A 61 2.230 -7.152 -11.724 1.00 1.00 H new ATOM 0 HZ PHE A 61 0.869 -6.033 -10.005 1.00 1.00 H new ATOM 880 N TYR A 62 -0.367 -13.208 -8.374 1.00 1.00 N ATOM 881 CA TYR A 62 -1.562 -13.423 -7.529 1.00 1.00 C ATOM 882 C TYR A 62 -1.561 -12.545 -6.261 1.00 1.00 C ATOM 883 O TYR A 62 -0.486 -12.173 -5.763 1.00 1.00 O ATOM 884 CB TYR A 62 -1.673 -14.921 -7.158 1.00 1.00 C ATOM 885 CG TYR A 62 -2.155 -15.832 -8.288 1.00 1.00 C ATOM 886 CD1 TYR A 62 -3.516 -16.022 -8.548 1.00 1.00 C ATOM 887 CD2 TYR A 62 -1.243 -16.517 -9.083 1.00 1.00 C ATOM 888 CE1 TYR A 62 -3.942 -16.858 -9.560 1.00 1.00 C ATOM 889 CE2 TYR A 62 -1.665 -17.359 -10.096 1.00 1.00 C ATOM 890 CZ TYR A 62 -3.013 -17.526 -10.330 1.00 1.00 C ATOM 891 OH TYR A 62 -3.436 -18.360 -11.338 1.00 1.00 O ATOM 0 H TYR A 62 0.432 -13.778 -8.096 1.00 1.00 H new ATOM 0 HA TYR A 62 -2.434 -13.123 -8.110 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -0.697 -15.270 -6.821 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -2.356 -15.021 -6.314 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -4.248 -15.505 -7.945 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -0.185 -16.389 -8.906 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -4.997 -16.988 -9.748 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -0.941 -17.884 -10.701 1.00 1.00 H new ATOM 0 HH TYR A 62 -2.658 -18.753 -11.786 1.00 1.00 H new ATOM 901 N GLY A 63 -2.804 -12.213 -5.784 1.00 1.00 N ATOM 902 CA GLY A 63 -3.030 -11.395 -4.558 1.00 1.00 C ATOM 903 C GLY A 63 -2.919 -12.185 -3.228 1.00 1.00 C ATOM 904 O GLY A 63 -3.193 -11.626 -2.155 1.00 1.00 O ATOM 0 H GLY A 63 -3.668 -12.506 -6.240 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -2.307 -10.579 -4.543 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -4.020 -10.943 -4.616 1.00 1.00 H new ATOM 908 N LYS A 64 -2.604 -13.509 -3.360 1.00 1.00 N ATOM 909 CA LYS A 64 -2.385 -14.449 -2.228 1.00 1.00 C ATOM 910 C LYS A 64 -0.888 -14.463 -1.756 1.00 1.00 C ATOM 911 O LYS A 64 -0.604 -14.931 -0.637 1.00 1.00 O ATOM 912 CB LYS A 64 -2.850 -15.870 -2.607 1.00 1.00 C ATOM 913 CG LYS A 64 -3.600 -16.597 -1.487 1.00 1.00 C ATOM 914 CD LYS A 64 -4.152 -17.935 -1.944 1.00 1.00 C ATOM 915 CE LYS A 64 -4.884 -18.635 -0.812 1.00 1.00 C ATOM 916 NZ LYS A 64 -5.414 -19.961 -1.225 1.00 1.00 N ATOM 0 H LYS A 64 -2.495 -13.954 -4.271 1.00 1.00 H new ATOM 0 HA LYS A 64 -2.985 -14.095 -1.390 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -3.496 -15.809 -3.483 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -1.981 -16.462 -2.893 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -2.928 -16.752 -0.643 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -4.418 -15.970 -1.133 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -4.831 -17.785 -2.784 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -3.338 -18.566 -2.301 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -4.207 -18.763 0.033 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -5.706 -18.007 -0.469 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -5.906 -20.404 -0.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -6.080 -19.838 -2.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -4.627 -20.570 -1.528 1.00 1.00 H new ATOM 930 N THR A 65 0.031 -13.924 -2.623 1.00 1.00 N ATOM 931 CA THR A 65 1.506 -13.854 -2.373 1.00 1.00 C ATOM 932 C THR A 65 1.946 -12.551 -1.647 1.00 1.00 C ATOM 933 O THR A 65 3.089 -12.490 -1.147 1.00 1.00 O ATOM 934 CB THR A 65 2.340 -13.994 -3.691 1.00 1.00 C ATOM 935 OG1 THR A 65 1.847 -13.115 -4.708 1.00 1.00 O ATOM 936 CG2 THR A 65 2.347 -15.428 -4.221 1.00 1.00 C ATOM 0 H THR A 65 -0.238 -13.524 -3.522 1.00 1.00 H new ATOM 0 HA THR A 65 1.711 -14.701 -1.719 1.00 1.00 H new ATOM 0 HB THR A 65 3.364 -13.719 -3.438 1.00 1.00 H new ATOM 0 HG1 THR A 65 2.385 -13.220 -5.520 1.00 1.00 H new ATOM 0 HG21 THR A 65 2.938 -15.475 -5.136 1.00 1.00 H new ATOM 0 HG22 THR A 65 2.783 -16.090 -3.473 1.00 1.00 H new ATOM 0 HG23 THR A 65 1.325 -15.743 -4.433 1.00 1.00 H new ATOM 944 N LEU A 66 1.022 -11.523 -1.568 1.00 1.00 N ATOM 945 CA LEU A 66 1.279 -10.201 -0.903 1.00 1.00 C ATOM 946 C LEU A 66 1.249 -10.302 0.677 1.00 1.00 C ATOM 947 O LEU A 66 0.454 -11.123 1.171 1.00 1.00 O ATOM 948 CB LEU A 66 0.277 -9.077 -1.381 1.00 1.00 C ATOM 949 CG LEU A 66 -1.254 -9.390 -1.441 1.00 1.00 C ATOM 950 CD1 LEU A 66 -1.943 -9.073 -0.111 1.00 1.00 C ATOM 951 CD2 LEU A 66 -1.937 -8.609 -2.563 1.00 1.00 C ATOM 0 H LEU A 66 0.085 -11.596 -1.964 1.00 1.00 H new ATOM 0 HA LEU A 66 2.285 -9.917 -1.211 1.00 1.00 H new ATOM 0 HB2 LEU A 66 0.410 -8.218 -0.723 1.00 1.00 H new ATOM 0 HB3 LEU A 66 0.587 -8.765 -2.378 1.00 1.00 H new ATOM 0 HG LEU A 66 -1.349 -10.457 -1.642 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -3.006 -9.302 -0.188 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -1.499 -9.675 0.682 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -1.816 -8.016 0.122 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -3.000 -8.849 -2.578 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -1.808 -7.540 -2.393 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -1.490 -8.880 -3.519 1.00 1.00 H new ATOM 963 N PRO A 67 2.085 -9.481 1.523 1.00 1.00 N ATOM 964 CA PRO A 67 2.050 -9.552 3.037 1.00 1.00 C ATOM 965 C PRO A 67 0.724 -9.041 3.645 1.00 1.00 C ATOM 966 O PRO A 67 0.025 -8.238 3.002 1.00 1.00 O ATOM 967 CB PRO A 67 3.208 -8.626 3.490 1.00 1.00 C ATOM 968 CG PRO A 67 4.071 -8.464 2.284 1.00 1.00 C ATOM 969 CD PRO A 67 3.115 -8.450 1.127 1.00 1.00 C ATOM 0 HA PRO A 67 2.143 -10.586 3.369 1.00 1.00 H new ATOM 0 HB2 PRO A 67 2.831 -7.664 3.837 1.00 1.00 H new ATOM 0 HB3 PRO A 67 3.765 -9.067 4.317 1.00 1.00 H new ATOM 0 HG2 PRO A 67 4.648 -7.540 2.332 1.00 1.00 H new ATOM 0 HG3 PRO A 67 4.786 -9.282 2.196 1.00 1.00 H new ATOM 0 HD2 PRO A 67 2.667 -7.466 0.986 1.00 1.00 H new ATOM 0 HD3 PRO A 67 3.610 -8.713 0.192 1.00 1.00 H new ATOM 977 N ARG A 68 0.399 -9.515 4.897 1.00 1.00 N ATOM 978 CA ARG A 68 -0.852 -9.143 5.670 1.00 1.00 C ATOM 979 C ARG A 68 -0.997 -7.620 5.951 1.00 1.00 C ATOM 980 O ARG A 68 -2.129 -7.122 6.050 1.00 1.00 O ATOM 981 CB ARG A 68 -0.942 -9.933 6.981 1.00 1.00 C ATOM 982 CG ARG A 68 -1.455 -11.360 6.811 1.00 1.00 C ATOM 983 CD ARG A 68 -1.460 -12.109 8.131 1.00 1.00 C ATOM 984 NE ARG A 68 -2.025 -13.475 7.996 1.00 1.00 N ATOM 985 CZ ARG A 68 -2.382 -14.330 9.005 1.00 1.00 C ATOM 986 NH1 ARG A 68 -2.248 -14.038 10.315 1.00 1.00 N ATOM 987 NH2 ARG A 68 -2.887 -15.513 8.680 1.00 1.00 N ATOM 0 H ARG A 68 0.997 -10.168 5.403 1.00 1.00 H new ATOM 0 HA ARG A 68 -1.684 -9.413 5.020 1.00 1.00 H new ATOM 0 HB2 ARG A 68 0.045 -9.965 7.443 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -1.599 -9.401 7.669 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -2.464 -11.339 6.400 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -0.829 -11.890 6.093 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -0.442 -12.175 8.514 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -2.040 -11.548 8.863 1.00 1.00 H new ATOM 0 HE ARG A 68 -2.163 -13.815 7.044 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -1.862 -13.138 10.600 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -2.532 -14.717 11.021 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -3.001 -15.767 7.699 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -3.161 -16.169 9.411 1.00 1.00 H new ATOM 1001 N ARG A 69 0.182 -6.909 6.098 1.00 1.00 N ATOM 1002 CA ARG A 69 0.291 -5.409 6.279 1.00 1.00 C ATOM 1003 C ARG A 69 -0.289 -4.604 5.077 1.00 1.00 C ATOM 1004 O ARG A 69 -0.864 -3.524 5.290 1.00 1.00 O ATOM 1005 CB ARG A 69 1.757 -4.996 6.516 1.00 1.00 C ATOM 1006 CG ARG A 69 2.310 -5.358 7.904 1.00 1.00 C ATOM 1007 CD ARG A 69 3.780 -4.956 8.073 1.00 1.00 C ATOM 1008 NE ARG A 69 3.956 -3.489 8.295 1.00 1.00 N ATOM 1009 CZ ARG A 69 4.984 -2.699 7.856 1.00 1.00 C ATOM 1010 NH1 ARG A 69 6.053 -3.167 7.182 1.00 1.00 N ATOM 1011 NH2 ARG A 69 4.934 -1.401 8.116 1.00 1.00 N ATOM 0 H ARG A 69 1.092 -7.369 6.094 1.00 1.00 H new ATOM 0 HA ARG A 69 -0.311 -5.165 7.154 1.00 1.00 H new ATOM 0 HB2 ARG A 69 2.381 -5.468 5.757 1.00 1.00 H new ATOM 0 HB3 ARG A 69 1.844 -3.919 6.375 1.00 1.00 H new ATOM 0 HG2 ARG A 69 1.711 -4.865 8.670 1.00 1.00 H new ATOM 0 HG3 ARG A 69 2.210 -6.432 8.063 1.00 1.00 H new ATOM 0 HD2 ARG A 69 4.206 -5.500 8.916 1.00 1.00 H new ATOM 0 HD3 ARG A 69 4.338 -5.254 7.186 1.00 1.00 H new ATOM 0 HE ARG A 69 3.227 -3.023 8.835 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.128 -4.162 6.972 1.00 1.00 H new ATOM 0 HH12 ARG A 69 6.787 -2.526 6.881 1.00 1.00 H new ATOM 0 HH21 ARG A 69 4.143 -1.014 8.631 1.00 1.00 H new ATOM 0 HH22 ARG A 69 5.686 -0.788 7.801 1.00 1.00 H new ATOM 1025 N GLU A 70 -0.096 -5.153 3.818 1.00 1.00 N ATOM 1026 CA GLU A 70 -0.661 -4.601 2.542 1.00 1.00 C ATOM 1027 C GLU A 70 -2.177 -4.928 2.388 1.00 1.00 C ATOM 1028 O GLU A 70 -2.910 -4.163 1.742 1.00 1.00 O ATOM 1029 CB GLU A 70 0.115 -5.127 1.322 1.00 1.00 C ATOM 1030 CG GLU A 70 1.382 -4.340 1.002 1.00 1.00 C ATOM 1031 CD GLU A 70 2.034 -4.794 -0.290 1.00 1.00 C ATOM 1032 OE1 GLU A 70 1.608 -4.325 -1.365 1.00 1.00 O ATOM 1033 OE2 GLU A 70 2.960 -5.627 -0.231 1.00 1.00 O ATOM 0 H GLU A 70 0.461 -5.995 3.672 1.00 1.00 H new ATOM 0 HA GLU A 70 -0.553 -3.517 2.591 1.00 1.00 H new ATOM 0 HB2 GLU A 70 0.382 -6.169 1.497 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -0.541 -5.108 0.452 1.00 1.00 H new ATOM 0 HG2 GLU A 70 1.139 -3.280 0.930 1.00 1.00 H new ATOM 0 HG3 GLU A 70 2.092 -4.450 1.822 1.00 1.00 H new ATOM 1040 N ALA A 71 -2.609 -6.096 3.002 1.00 1.00 N ATOM 1041 CA ALA A 71 -4.029 -6.587 3.068 1.00 1.00 C ATOM 1042 C ALA A 71 -4.930 -5.686 3.970 1.00 1.00 C ATOM 1043 O ALA A 71 -6.133 -5.548 3.702 1.00 1.00 O ATOM 1044 CB ALA A 71 -4.059 -8.027 3.567 1.00 1.00 C ATOM 0 H ALA A 71 -1.959 -6.727 3.471 1.00 1.00 H new ATOM 0 HA ALA A 71 -4.436 -6.539 2.058 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.091 -8.375 3.612 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.492 -8.660 2.885 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -3.616 -8.077 4.562 1.00 1.00 H new ATOM 1050 N GLU A 72 -4.291 -5.095 5.048 1.00 1.00 N ATOM 1051 CA GLU A 72 -4.914 -4.132 6.027 1.00 1.00 C ATOM 1052 C GLU A 72 -5.182 -2.727 5.401 1.00 1.00 C ATOM 1053 O GLU A 72 -6.074 -2.005 5.871 1.00 1.00 O ATOM 1054 CB GLU A 72 -4.033 -3.985 7.280 1.00 1.00 C ATOM 1055 CG GLU A 72 -4.185 -5.123 8.290 1.00 1.00 C ATOM 1056 CD GLU A 72 -3.353 -4.914 9.542 1.00 1.00 C ATOM 1057 OE1 GLU A 72 -2.167 -5.307 9.541 1.00 1.00 O ATOM 1058 OE2 GLU A 72 -3.889 -4.358 10.525 1.00 1.00 O ATOM 0 H GLU A 72 -3.311 -5.282 5.259 1.00 1.00 H new ATOM 0 HA GLU A 72 -5.879 -4.555 6.307 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -2.989 -3.925 6.972 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -4.275 -3.043 7.772 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -5.235 -5.218 8.568 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -3.894 -6.062 7.819 1.00 1.00 H new ATOM 1065 N LYS A 73 -4.359 -2.368 4.347 1.00 1.00 N ATOM 1066 CA LYS A 73 -4.468 -1.105 3.521 1.00 1.00 C ATOM 1067 C LYS A 73 -5.738 -1.088 2.620 1.00 1.00 C ATOM 1068 O LYS A 73 -6.262 -0.010 2.304 1.00 1.00 O ATOM 1069 CB LYS A 73 -3.216 -0.913 2.647 1.00 1.00 C ATOM 1070 CG LYS A 73 -2.018 -0.345 3.396 1.00 1.00 C ATOM 1071 CD LYS A 73 -0.800 -0.224 2.498 1.00 1.00 C ATOM 1072 CE LYS A 73 0.398 0.289 3.273 1.00 1.00 C ATOM 1073 NZ LYS A 73 1.621 0.348 2.432 1.00 1.00 N ATOM 0 H LYS A 73 -3.587 -2.962 4.045 1.00 1.00 H new ATOM 0 HA LYS A 73 -4.551 -0.281 4.229 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -2.938 -1.873 2.213 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -3.462 -0.248 1.819 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -2.272 0.636 3.799 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -1.782 -0.987 4.245 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -0.567 -1.196 2.063 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -1.019 0.452 1.671 1.00 1.00 H new ATOM 0 HE2 LYS A 73 0.179 1.283 3.664 1.00 1.00 H new ATOM 0 HE3 LYS A 73 0.579 -0.358 4.131 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 2.228 1.128 2.756 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 2.140 -0.550 2.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 1.353 0.508 1.440 1.00 1.00 H new ATOM 1087 N VAL A 74 -6.198 -2.332 2.220 1.00 1.00 N ATOM 1088 CA VAL A 74 -7.437 -2.612 1.381 1.00 1.00 C ATOM 1089 C VAL A 74 -8.734 -2.220 2.188 1.00 1.00 C ATOM 1090 O VAL A 74 -9.704 -1.767 1.586 1.00 1.00 O ATOM 1091 CB VAL A 74 -7.545 -4.129 0.831 1.00 1.00 C ATOM 1092 CG1 VAL A 74 -8.499 -4.259 -0.378 1.00 1.00 C ATOM 1093 CG2 VAL A 74 -6.201 -4.735 0.394 1.00 1.00 C ATOM 0 H VAL A 74 -5.707 -3.188 2.477 1.00 1.00 H new ATOM 0 HA VAL A 74 -7.344 -1.990 0.491 1.00 1.00 H new ATOM 0 HB VAL A 74 -7.929 -4.675 1.693 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -8.532 -5.298 -0.705 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -9.499 -3.937 -0.088 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -8.139 -3.633 -1.195 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -6.359 -5.753 0.038 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -5.774 -4.133 -0.408 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -5.516 -4.749 1.241 1.00 1.00 H new ATOM 1103 N PHE A 75 -8.717 -2.431 3.549 1.00 1.00 N ATOM 1104 CA PHE A 75 -9.818 -2.059 4.506 1.00 1.00 C ATOM 1105 C PHE A 75 -10.067 -0.521 4.581 1.00 1.00 C ATOM 1106 O PHE A 75 -11.205 -0.092 4.819 1.00 1.00 O ATOM 1107 CB PHE A 75 -9.479 -2.582 5.919 1.00 1.00 C ATOM 1108 CG PHE A 75 -9.898 -4.013 6.196 1.00 1.00 C ATOM 1109 CD1 PHE A 75 -9.046 -5.077 5.916 1.00 1.00 C ATOM 1110 CD2 PHE A 75 -11.141 -4.289 6.752 1.00 1.00 C ATOM 1111 CE1 PHE A 75 -9.428 -6.377 6.180 1.00 1.00 C ATOM 1112 CE2 PHE A 75 -11.526 -5.589 7.016 1.00 1.00 C ATOM 1113 CZ PHE A 75 -10.669 -6.634 6.730 1.00 1.00 C ATOM 0 H PHE A 75 -7.925 -2.871 4.017 1.00 1.00 H new ATOM 0 HA PHE A 75 -10.730 -2.521 4.128 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -8.403 -2.500 6.071 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -9.955 -1.932 6.653 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -8.074 -4.883 5.487 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -11.815 -3.477 6.981 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -8.757 -7.193 5.957 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -12.497 -5.788 7.446 1.00 1.00 H new ATOM 0 HZ PHE A 75 -10.969 -7.651 6.936 1.00 1.00 H new ATOM 1123 N GLU A 76 -8.965 0.283 4.336 1.00 1.00 N ATOM 1124 CA GLU A 76 -8.947 1.779 4.369 1.00 1.00 C ATOM 1125 C GLU A 76 -9.786 2.423 3.230 1.00 1.00 C ATOM 1126 O GLU A 76 -10.452 3.426 3.483 1.00 1.00 O ATOM 1127 CB GLU A 76 -7.484 2.286 4.310 1.00 1.00 C ATOM 1128 CG GLU A 76 -7.192 3.504 5.207 1.00 1.00 C ATOM 1129 CD GLU A 76 -6.633 3.117 6.566 1.00 1.00 C ATOM 1130 OE1 GLU A 76 -7.429 2.756 7.457 1.00 1.00 O ATOM 1131 OE2 GLU A 76 -5.396 3.176 6.737 1.00 1.00 O ATOM 0 H GLU A 76 -8.053 -0.112 4.107 1.00 1.00 H new ATOM 0 HA GLU A 76 -9.411 2.084 5.307 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -6.819 1.472 4.597 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -7.244 2.545 3.279 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -6.483 4.160 4.701 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -8.110 4.075 5.346 1.00 1.00 H new ATOM 1138 N LEU A 77 -9.732 1.813 1.999 1.00 1.00 N ATOM 1139 CA LEU A 77 -10.503 2.255 0.795 1.00 1.00 C ATOM 1140 C LEU A 77 -12.024 1.871 0.882 1.00 1.00 C ATOM 1141 O LEU A 77 -12.878 2.584 0.330 1.00 1.00 O ATOM 1142 CB LEU A 77 -9.862 1.723 -0.533 1.00 1.00 C ATOM 1143 CG LEU A 77 -9.502 0.217 -0.652 1.00 1.00 C ATOM 1144 CD1 LEU A 77 -10.620 -0.549 -1.346 1.00 1.00 C ATOM 1145 CD2 LEU A 77 -8.179 0.020 -1.384 1.00 1.00 C ATOM 0 H LEU A 77 -9.147 0.997 1.819 1.00 1.00 H new ATOM 0 HA LEU A 77 -10.449 3.344 0.779 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.547 1.961 -1.346 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.949 2.293 -0.708 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.386 -0.179 0.357 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -10.348 -1.602 -1.420 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -11.540 -0.451 -0.770 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -10.773 -0.143 -2.346 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.955 -1.045 -1.451 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -8.253 0.439 -2.388 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -7.382 0.525 -0.838 1.00 1.00 H new ATOM 1157 N LEU A 78 -12.295 0.721 1.584 1.00 1.00 N ATOM 1158 CA LEU A 78 -13.650 0.167 1.860 1.00 1.00 C ATOM 1159 C LEU A 78 -14.365 0.857 3.069 1.00 1.00 C ATOM 1160 O LEU A 78 -15.606 0.796 3.151 1.00 1.00 O ATOM 1161 CB LEU A 78 -13.536 -1.344 2.109 1.00 1.00 C ATOM 1162 CG LEU A 78 -13.548 -2.232 0.849 1.00 1.00 C ATOM 1163 CD1 LEU A 78 -12.357 -3.173 0.817 1.00 1.00 C ATOM 1164 CD2 LEU A 78 -14.834 -3.030 0.773 1.00 1.00 C ATOM 0 H LEU A 78 -11.552 0.146 1.980 1.00 1.00 H new ATOM 0 HA LEU A 78 -14.266 0.367 0.984 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.613 -1.535 2.657 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -14.359 -1.650 2.755 1.00 1.00 H new ATOM 0 HG LEU A 78 -13.483 -1.571 -0.015 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -12.399 -3.783 -0.085 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.434 -2.592 0.820 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -12.381 -3.820 1.694 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -14.825 -3.651 -0.123 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -14.920 -3.666 1.654 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -15.683 -2.348 0.733 1.00 1.00 H new ATOM 1176 N ASN A 79 -13.557 1.488 3.981 1.00 1.00 N ATOM 1177 CA ASN A 79 -14.043 2.221 5.179 1.00 1.00 C ATOM 1178 C ASN A 79 -14.083 3.769 4.969 1.00 1.00 C ATOM 1179 O ASN A 79 -14.678 4.485 5.807 1.00 1.00 O ATOM 1180 CB ASN A 79 -13.167 1.858 6.394 1.00 1.00 C ATOM 1181 CG ASN A 79 -13.675 0.628 7.127 1.00 1.00 C ATOM 1182 OD1 ASN A 79 -14.681 0.687 7.834 1.00 1.00 O ATOM 1183 ND2 ASN A 79 -12.983 -0.493 6.967 1.00 1.00 N ATOM 0 H ASN A 79 -12.541 1.496 3.895 1.00 1.00 H new ATOM 0 HA ASN A 79 -15.072 1.911 5.359 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -12.144 1.683 6.061 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -13.138 2.702 7.083 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -13.280 -1.347 7.439 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -12.154 -0.500 6.372 1.00 1.00 H new ATOM 1190 N ASP A 80 -13.487 4.257 3.832 1.00 1.00 N ATOM 1191 CA ASP A 80 -13.426 5.687 3.469 1.00 1.00 C ATOM 1192 C ASP A 80 -14.397 6.007 2.291 1.00 1.00 C ATOM 1193 O ASP A 80 -14.012 6.491 1.195 1.00 1.00 O ATOM 1194 CB ASP A 80 -11.964 6.095 3.177 1.00 1.00 C ATOM 1195 CG ASP A 80 -11.255 6.668 4.387 1.00 1.00 C ATOM 1196 OD1 ASP A 80 -11.545 7.826 4.752 1.00 1.00 O ATOM 1197 OD2 ASP A 80 -10.402 5.962 4.964 1.00 1.00 O ATOM 0 H ASP A 80 -13.036 3.651 3.146 1.00 1.00 H new ATOM 0 HA ASP A 80 -13.766 6.289 4.311 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -11.414 5.224 2.820 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -11.952 6.831 2.373 1.00 1.00 H new ATOM 1202 N PHE A 81 -15.704 5.710 2.557 1.00 1.00 N ATOM 1203 CA PHE A 81 -16.862 5.967 1.617 1.00 1.00 C ATOM 1204 C PHE A 81 -17.155 7.484 1.395 1.00 1.00 C ATOM 1205 O PHE A 81 -17.630 7.865 0.307 1.00 1.00 O ATOM 1206 CB PHE A 81 -18.139 5.253 2.116 1.00 1.00 C ATOM 1207 CG PHE A 81 -18.468 3.956 1.393 1.00 1.00 C ATOM 1208 CD1 PHE A 81 -19.248 3.958 0.237 1.00 1.00 C ATOM 1209 CD2 PHE A 81 -18.008 2.733 1.875 1.00 1.00 C ATOM 1210 CE1 PHE A 81 -19.551 2.780 -0.419 1.00 1.00 C ATOM 1211 CE2 PHE A 81 -18.312 1.553 1.219 1.00 1.00 C ATOM 1212 CZ PHE A 81 -19.083 1.577 0.071 1.00 1.00 C ATOM 0 H PHE A 81 -15.996 5.281 3.435 1.00 1.00 H new ATOM 0 HA PHE A 81 -16.563 5.558 0.652 1.00 1.00 H new ATOM 0 HB2 PHE A 81 -18.028 5.042 3.180 1.00 1.00 H new ATOM 0 HB3 PHE A 81 -18.983 5.935 2.013 1.00 1.00 H new ATOM 0 HD1 PHE A 81 -19.621 4.894 -0.151 1.00 1.00 H new ATOM 0 HD2 PHE A 81 -17.407 2.705 2.772 1.00 1.00 H new ATOM 0 HE1 PHE A 81 -20.154 2.800 -1.315 1.00 1.00 H new ATOM 0 HE2 PHE A 81 -17.947 0.612 1.604 1.00 1.00 H new ATOM 0 HZ PHE A 81 -19.319 0.656 -0.441 1.00 1.00 H new ATOM 1222 N LYS A 82 -16.862 8.300 2.449 1.00 1.00 N ATOM 1223 CA LYS A 82 -17.002 9.761 2.442 1.00 1.00 C ATOM 1224 C LYS A 82 -15.610 10.403 2.588 1.00 1.00 C ATOM 1225 O LYS A 82 -14.922 10.218 3.623 1.00 1.00 O ATOM 1226 CB LYS A 82 -17.955 10.227 3.559 1.00 1.00 C ATOM 1227 CG LYS A 82 -19.386 10.435 3.101 1.00 1.00 C ATOM 1228 CD LYS A 82 -20.285 10.792 4.270 1.00 1.00 C ATOM 1229 CE LYS A 82 -21.714 11.032 3.819 1.00 1.00 C ATOM 1230 NZ LYS A 82 -22.602 11.379 4.961 1.00 1.00 N ATOM 0 H LYS A 82 -16.516 7.939 3.338 1.00 1.00 H new ATOM 0 HA LYS A 82 -17.439 10.078 1.495 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -17.945 9.490 4.362 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -17.579 11.160 3.978 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -19.421 11.229 2.355 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -19.753 9.529 2.619 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -20.265 9.987 5.005 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -19.903 11.685 4.764 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -21.733 11.838 3.085 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -22.093 10.139 3.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -23.570 11.536 4.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -22.603 10.599 5.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -22.255 12.245 5.420 1.00 1.00 H new ATOM 1244 N GLY A 83 -15.187 11.097 1.490 1.00 1.00 N ATOM 1245 CA GLY A 83 -13.886 11.794 1.411 1.00 1.00 C ATOM 1246 C GLY A 83 -12.761 10.929 0.855 1.00 1.00 C ATOM 1247 O GLY A 83 -12.271 10.032 1.573 1.00 1.00 O ATOM 0 H GLY A 83 -15.745 11.183 0.641 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -13.995 12.679 0.785 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -13.608 12.140 2.406 1.00 1.00 H new ATOM 1251 N GLY A 84 -12.374 11.222 -0.415 1.00 1.00 N ATOM 1252 CA GLY A 84 -11.302 10.508 -1.108 1.00 1.00 C ATOM 1253 C GLY A 84 -11.702 9.991 -2.478 1.00 1.00 C ATOM 1254 O GLY A 84 -11.076 10.381 -3.482 1.00 1.00 O ATOM 0 H GLY A 84 -12.803 11.960 -0.974 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -10.445 11.173 -1.216 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -10.979 9.669 -0.492 1.00 1.00 H new ATOM 1258 N ILE A 85 -12.752 9.128 -2.498 1.00 1.00 N ATOM 1259 CA ILE A 85 -13.271 8.481 -3.739 1.00 1.00 C ATOM 1260 C ILE A 85 -14.658 9.082 -4.056 1.00 1.00 C ATOM 1261 O ILE A 85 -15.549 9.089 -3.186 1.00 1.00 O ATOM 1262 CB ILE A 85 -13.366 6.867 -3.668 1.00 1.00 C ATOM 1263 CG1 ILE A 85 -12.192 6.205 -2.907 1.00 1.00 C ATOM 1264 CG2 ILE A 85 -13.404 6.207 -5.067 1.00 1.00 C ATOM 1265 CD1 ILE A 85 -12.546 5.806 -1.494 1.00 1.00 C ATOM 0 H ILE A 85 -13.264 8.860 -1.657 1.00 1.00 H new ATOM 0 HA ILE A 85 -12.551 8.688 -4.531 1.00 1.00 H new ATOM 0 HB ILE A 85 -14.299 6.699 -3.131 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -11.865 5.322 -3.455 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -11.349 6.895 -2.882 1.00 1.00 H new ATOM 0 HG21 ILE A 85 -13.468 5.124 -4.957 1.00 1.00 H new ATOM 0 HG22 ILE A 85 -14.274 6.568 -5.616 1.00 1.00 H new ATOM 0 HG23 ILE A 85 -12.497 6.463 -5.615 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -11.679 5.348 -1.017 1.00 1.00 H new ATOM 0 HD12 ILE A 85 -12.846 6.690 -0.931 1.00 1.00 H new ATOM 0 HD13 ILE A 85 -13.369 5.092 -1.513 1.00 1.00 H new ATOM 1277 N ASP A 86 -14.776 9.583 -5.308 1.00 1.00 N ATOM 1278 CA ASP A 86 -16.009 10.169 -5.856 1.00 1.00 C ATOM 1279 C ASP A 86 -16.469 9.375 -7.081 1.00 1.00 C ATOM 1280 O ASP A 86 -15.644 9.033 -7.953 1.00 1.00 O ATOM 1281 CB ASP A 86 -15.789 11.641 -6.230 1.00 1.00 C ATOM 1282 CG ASP A 86 -15.936 12.575 -5.044 1.00 1.00 C ATOM 1283 OD1 ASP A 86 -17.084 12.798 -4.601 1.00 1.00 O ATOM 1284 OD2 ASP A 86 -14.906 13.092 -4.564 1.00 1.00 O ATOM 0 H ASP A 86 -14.001 9.589 -5.971 1.00 1.00 H new ATOM 0 HA ASP A 86 -16.784 10.121 -5.091 1.00 1.00 H new ATOM 0 HB2 ASP A 86 -14.793 11.758 -6.658 1.00 1.00 H new ATOM 0 HB3 ASP A 86 -16.503 11.926 -7.002 1.00 1.00 H new ATOM 1289 N TRP A 87 -17.799 9.075 -7.112 1.00 1.00 N ATOM 1290 CA TRP A 87 -18.482 8.312 -8.211 1.00 1.00 C ATOM 1291 C TRP A 87 -18.806 9.173 -9.462 1.00 1.00 C ATOM 1292 O TRP A 87 -18.815 8.638 -10.585 1.00 1.00 O ATOM 1293 CB TRP A 87 -19.769 7.647 -7.691 1.00 1.00 C ATOM 1294 CG TRP A 87 -19.526 6.446 -6.788 1.00 1.00 C ATOM 1295 CD1 TRP A 87 -19.632 6.441 -5.427 1.00 1.00 C ATOM 1296 CD2 TRP A 87 -19.135 5.094 -7.161 1.00 1.00 C ATOM 1297 NE1 TRP A 87 -19.335 5.198 -4.926 1.00 1.00 N ATOM 1298 CE2 TRP A 87 -19.031 4.356 -5.962 1.00 1.00 C ATOM 1299 CE3 TRP A 87 -18.863 4.430 -8.378 1.00 1.00 C ATOM 1300 CZ2 TRP A 87 -18.670 3.009 -5.942 1.00 1.00 C ATOM 1301 CZ3 TRP A 87 -18.507 3.096 -8.348 1.00 1.00 C ATOM 1302 CH2 TRP A 87 -18.416 2.400 -7.140 1.00 1.00 C ATOM 0 H TRP A 87 -18.438 9.357 -6.369 1.00 1.00 H new ATOM 0 HA TRP A 87 -17.770 7.551 -8.530 1.00 1.00 H new ATOM 0 HB2 TRP A 87 -20.352 8.387 -7.144 1.00 1.00 H new ATOM 0 HB3 TRP A 87 -20.372 7.332 -8.542 1.00 1.00 H new ATOM 0 HD1 TRP A 87 -19.911 7.296 -4.828 1.00 1.00 H new ATOM 0 HE1 TRP A 87 -19.340 4.942 -3.939 1.00 1.00 H new ATOM 0 HE3 TRP A 87 -18.932 4.958 -9.318 1.00 1.00 H new ATOM 0 HZ2 TRP A 87 -18.594 2.465 -5.012 1.00 1.00 H new ATOM 0 HZ3 TRP A 87 -18.295 2.582 -9.274 1.00 1.00 H new ATOM 0 HH2 TRP A 87 -18.139 1.356 -7.152 1.00 1.00 H new ATOM 1313 N GLU A 88 -19.079 10.498 -9.230 1.00 1.00 N ATOM 1314 CA GLU A 88 -19.395 11.516 -10.287 1.00 1.00 C ATOM 1315 C GLU A 88 -18.126 12.088 -10.983 1.00 1.00 C ATOM 1316 O GLU A 88 -18.174 12.369 -12.193 1.00 1.00 O ATOM 1317 CB GLU A 88 -20.230 12.669 -9.693 1.00 1.00 C ATOM 1318 CG GLU A 88 -21.716 12.341 -9.503 1.00 1.00 C ATOM 1319 CD GLU A 88 -22.503 13.467 -8.845 1.00 1.00 C ATOM 1320 OE1 GLU A 88 -22.725 14.514 -9.498 1.00 1.00 O ATOM 1321 OE2 GLU A 88 -22.896 13.302 -7.670 1.00 1.00 O ATOM 0 H GLU A 88 -19.085 10.893 -8.290 1.00 1.00 H new ATOM 0 HA GLU A 88 -19.972 10.996 -11.051 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -19.806 12.950 -8.729 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -20.143 13.538 -10.345 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -22.158 12.117 -10.474 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -21.807 11.440 -8.896 1.00 1.00 H new ATOM 1328 N ASN A 89 -17.021 12.251 -10.191 1.00 1.00 N ATOM 1329 CA ASN A 89 -15.705 12.765 -10.665 1.00 1.00 C ATOM 1330 C ASN A 89 -14.728 11.642 -11.114 1.00 1.00 C ATOM 1331 O ASN A 89 -13.748 11.931 -11.826 1.00 1.00 O ATOM 1332 CB ASN A 89 -15.051 13.606 -9.560 1.00 1.00 C ATOM 1333 CG ASN A 89 -15.566 15.032 -9.528 1.00 1.00 C ATOM 1334 OD1 ASN A 89 -15.213 15.850 -10.376 1.00 1.00 O ATOM 1335 ND2 ASN A 89 -16.405 15.336 -8.545 1.00 1.00 N ATOM 0 H ASN A 89 -17.025 12.025 -9.196 1.00 1.00 H new ATOM 0 HA ASN A 89 -15.906 13.375 -11.545 1.00 1.00 H new ATOM 0 HB2 ASN A 89 -15.235 13.136 -8.594 1.00 1.00 H new ATOM 0 HB3 ASN A 89 -13.971 13.617 -9.708 1.00 1.00 H new ATOM 0 HD21 ASN A 89 -16.784 16.280 -8.472 1.00 1.00 H new ATOM 0 HD22 ASN A 89 -16.671 14.625 -7.863 1.00 1.00 H new ATOM 1342 N LYS A 90 -15.023 10.330 -10.719 1.00 1.00 N ATOM 1343 CA LYS A 90 -14.211 9.066 -11.025 1.00 1.00 C ATOM 1344 C LYS A 90 -12.715 9.118 -10.496 1.00 1.00 C ATOM 1345 O LYS A 90 -11.776 8.507 -11.077 1.00 1.00 O ATOM 1346 CB LYS A 90 -14.311 8.680 -12.544 1.00 1.00 C ATOM 1347 CG LYS A 90 -15.224 7.501 -12.811 1.00 1.00 C ATOM 1348 CD LYS A 90 -15.407 7.274 -14.308 1.00 1.00 C ATOM 1349 CE LYS A 90 -16.298 6.064 -14.608 1.00 1.00 C ATOM 1350 NZ LYS A 90 -15.545 4.776 -14.526 1.00 1.00 N ATOM 0 H LYS A 90 -15.854 10.121 -10.165 1.00 1.00 H new ATOM 0 HA LYS A 90 -14.671 8.260 -10.453 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -14.670 9.542 -13.106 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -13.314 8.449 -12.918 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -14.808 6.604 -12.353 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -16.194 7.676 -12.346 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -15.845 8.165 -14.758 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -14.432 7.129 -14.773 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -17.129 6.043 -13.903 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -16.728 6.169 -15.604 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -15.640 4.260 -15.424 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -14.540 4.972 -14.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -15.930 4.198 -13.752 1.00 1.00 H new ATOM 1364 N ARG A 91 -12.553 9.824 -9.340 1.00 1.00 N ATOM 1365 CA ARG A 91 -11.253 10.038 -8.664 1.00 1.00 C ATOM 1366 C ARG A 91 -11.136 9.189 -7.406 1.00 1.00 C ATOM 1367 O ARG A 91 -12.096 9.103 -6.614 1.00 1.00 O ATOM 1368 CB ARG A 91 -11.047 11.528 -8.322 1.00 1.00 C ATOM 1369 CG ARG A 91 -10.690 12.403 -9.522 1.00 1.00 C ATOM 1370 CD ARG A 91 -10.593 13.868 -9.144 1.00 1.00 C ATOM 1371 NE ARG A 91 -10.194 14.705 -10.303 1.00 1.00 N ATOM 1372 CZ ARG A 91 -9.727 15.992 -10.279 1.00 1.00 C ATOM 1373 NH1 ARG A 91 -9.571 16.712 -9.150 1.00 1.00 N ATOM 1374 NH2 ARG A 91 -9.412 16.565 -11.432 1.00 1.00 N ATOM 0 H ARG A 91 -13.334 10.262 -8.852 1.00 1.00 H new ATOM 0 HA ARG A 91 -10.471 9.729 -9.357 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -11.958 11.913 -7.864 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -10.256 11.612 -7.577 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -9.740 12.073 -9.942 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -11.443 12.278 -10.300 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -11.554 14.210 -8.761 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -9.868 13.990 -8.339 1.00 1.00 H new ATOM 0 HE ARG A 91 -10.277 14.272 -11.223 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -9.806 16.301 -8.247 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -9.218 17.668 -9.199 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -9.520 16.048 -12.305 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -9.062 17.523 -11.447 1.00 1.00 H new ATOM 1388 N VAL A 92 -9.936 8.581 -7.253 1.00 1.00 N ATOM 1389 CA VAL A 92 -9.591 7.687 -6.116 1.00 1.00 C ATOM 1390 C VAL A 92 -8.397 8.316 -5.365 1.00 1.00 C ATOM 1391 O VAL A 92 -7.367 8.632 -5.990 1.00 1.00 O ATOM 1392 CB VAL A 92 -9.245 6.164 -6.536 1.00 1.00 C ATOM 1393 CG1 VAL A 92 -9.502 5.174 -5.375 1.00 1.00 C ATOM 1394 CG2 VAL A 92 -10.019 5.641 -7.771 1.00 1.00 C ATOM 0 H VAL A 92 -9.172 8.696 -7.919 1.00 1.00 H new ATOM 0 HA VAL A 92 -10.476 7.609 -5.485 1.00 1.00 H new ATOM 0 HB VAL A 92 -8.186 6.207 -6.792 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -9.257 4.162 -5.699 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -8.878 5.443 -4.523 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -10.552 5.218 -5.085 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -9.722 4.613 -7.978 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -11.090 5.677 -7.571 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -9.790 6.265 -8.635 1.00 1.00 H new ATOM 1404 N LYS A 93 -8.590 8.481 -4.032 1.00 1.00 N ATOM 1405 CA LYS A 93 -7.585 9.038 -3.110 1.00 1.00 C ATOM 1406 C LYS A 93 -7.289 8.033 -1.993 1.00 1.00 C ATOM 1407 O LYS A 93 -8.228 7.504 -1.359 1.00 1.00 O ATOM 1408 CB LYS A 93 -8.071 10.369 -2.518 1.00 1.00 C ATOM 1409 CG LYS A 93 -7.078 11.509 -2.653 1.00 1.00 C ATOM 1410 CD LYS A 93 -7.671 12.822 -2.169 1.00 1.00 C ATOM 1411 CE LYS A 93 -6.670 13.961 -2.281 1.00 1.00 C ATOM 1412 NZ LYS A 93 -7.234 15.245 -1.780 1.00 1.00 N ATOM 0 H LYS A 93 -9.462 8.226 -3.568 1.00 1.00 H new ATOM 0 HA LYS A 93 -6.668 9.229 -3.667 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -9.002 10.653 -3.008 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -8.298 10.223 -1.462 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -6.180 11.281 -2.080 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -6.774 11.607 -3.695 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -8.560 13.059 -2.754 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -7.990 12.718 -1.132 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -5.772 13.713 -1.715 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -6.368 14.078 -3.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -6.522 15.997 -1.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -8.076 15.495 -2.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -7.499 15.141 -0.780 1.00 1.00 H new ATOM 1426 N LEU A 94 -5.970 7.761 -1.804 1.00 1.00 N ATOM 1427 CA LEU A 94 -5.452 6.826 -0.788 1.00 1.00 C ATOM 1428 C LEU A 94 -4.354 7.496 0.035 1.00 1.00 C ATOM 1429 O LEU A 94 -3.446 8.139 -0.533 1.00 1.00 O ATOM 1430 CB LEU A 94 -4.924 5.537 -1.450 1.00 1.00 C ATOM 1431 CG LEU A 94 -6.007 4.536 -1.893 1.00 1.00 C ATOM 1432 CD1 LEU A 94 -5.891 4.232 -3.377 1.00 1.00 C ATOM 1433 CD2 LEU A 94 -5.917 3.251 -1.080 1.00 1.00 C ATOM 0 H LEU A 94 -5.234 8.193 -2.363 1.00 1.00 H new ATOM 0 HA LEU A 94 -6.270 6.553 -0.121 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -4.329 5.812 -2.321 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -4.254 5.037 -0.751 1.00 1.00 H new ATOM 0 HG LEU A 94 -6.980 4.993 -1.713 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -6.667 3.523 -3.665 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -6.011 5.153 -3.948 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -4.911 3.802 -3.585 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -6.691 2.557 -1.409 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -4.937 2.797 -1.225 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -6.059 3.478 -0.023 1.00 1.00 H new ATOM 1445 N LYS A 95 -4.486 7.345 1.370 1.00 1.00 N ATOM 1446 CA LYS A 95 -3.551 7.896 2.368 1.00 1.00 C ATOM 1447 C LYS A 95 -2.789 6.779 3.090 1.00 1.00 C ATOM 1448 O LYS A 95 -1.567 6.938 3.291 1.00 1.00 O ATOM 1449 CB LYS A 95 -4.307 8.763 3.380 1.00 1.00 C ATOM 1450 CG LYS A 95 -4.095 10.253 3.182 1.00 1.00 C ATOM 1451 CD LYS A 95 -4.972 11.074 4.123 1.00 1.00 C ATOM 1452 CE LYS A 95 -4.735 12.579 3.962 1.00 1.00 C ATOM 1453 NZ LYS A 95 -5.521 13.160 2.834 1.00 1.00 N ATOM 1454 OXT LYS A 95 -3.418 5.757 3.452 1.00 1.00 O ATOM 0 H LYS A 95 -5.259 6.828 1.789 1.00 1.00 H new ATOM 0 HA LYS A 95 -2.823 8.515 1.843 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -5.372 8.544 3.310 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -3.991 8.490 4.387 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -3.047 10.498 3.354 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -4.320 10.519 2.149 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -6.021 10.849 3.929 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -4.769 10.783 5.154 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -5.003 13.088 4.888 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -3.674 12.761 3.794 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -5.328 14.180 2.765 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -5.248 12.695 1.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -6.536 13.011 3.005 1.00 1.00 H new