USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 0 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 35 GLN : amide:sc= 0.0723 K(o=0.48,f=-8.4!) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -168:sc= 0.411 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0222 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.159 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.35! C(o=-1.3!,f=-9.3!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= 1.75 (180deg=0.535) USER MOD Single : A 26 GLN : amide:sc=-0.00667 X(o=-0.0067,f=-0.042) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0642) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 61 SER OG : rot -40:sc= -0.125! USER MOD Single : A 62 ASN : amide:sc= -0.774 K(o=-0.77,f=-0.15) USER MOD Single : A 68 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.909 -9.942 -5.386 1.00 0.00 N ATOM 2 CA GLY A 1 -5.318 -9.825 -3.996 1.00 0.00 C ATOM 3 C GLY A 1 -4.440 -8.819 -3.250 1.00 0.00 C ATOM 4 O GLY A 1 -4.066 -7.786 -3.803 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.752 -9.996 -5.993 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.343 -9.111 -5.652 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.339 -10.803 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.361 -9.511 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.254 -10.799 -3.511 1.00 0.00 H new ATOM 5 N GLU A 2 -4.136 -9.155 -2.004 1.00 0.00 N ATOM 6 CA GLU A 2 -3.277 -8.314 -1.190 1.00 0.00 C ATOM 7 C GLU A 2 -1.838 -8.363 -1.710 1.00 0.00 C ATOM 8 O GLU A 2 -1.054 -9.216 -1.298 1.00 0.00 O ATOM 9 CB GLU A 2 -3.341 -8.726 0.282 1.00 0.00 C ATOM 10 CG GLU A 2 -4.716 -8.420 0.878 1.00 0.00 C ATOM 11 CD GLU A 2 -4.777 -8.820 2.353 1.00 0.00 C ATOM 12 OE1 GLU A 2 -4.317 -8.062 3.220 1.00 0.00 O ATOM 13 OE2 GLU A 2 -5.326 -9.964 2.585 1.00 0.00 O ATOM 0 H GLU A 2 -4.470 -9.999 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.635 -7.287 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.130 -9.791 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.571 -8.198 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.931 -7.356 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.485 -8.955 0.321 1.00 0.00 H new ATOM 14 N GLU A 3 -1.537 -7.438 -2.610 1.00 0.00 N ATOM 15 CA GLU A 3 -0.225 -7.401 -3.234 1.00 0.00 C ATOM 16 C GLU A 3 0.016 -8.680 -4.040 1.00 0.00 C ATOM 17 O GLU A 3 -0.754 -9.634 -3.940 1.00 0.00 O ATOM 18 CB GLU A 3 0.874 -7.195 -2.190 1.00 0.00 C ATOM 19 CG GLU A 3 0.623 -5.926 -1.373 1.00 0.00 C ATOM 20 CD GLU A 3 1.761 -5.678 -0.382 1.00 0.00 C ATOM 21 OE1 GLU A 3 2.934 -5.641 -0.781 1.00 0.00 O ATOM 22 OE2 GLU A 3 1.392 -5.519 0.844 1.00 0.00 O ATOM 0 H GLU A 3 -2.179 -6.709 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.194 -6.553 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.915 -8.058 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.843 -7.127 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.526 -5.071 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.320 -6.017 -0.834 1.00 0.00 H new ATOM 23 N CYS A 4 1.088 -8.659 -4.817 1.00 0.00 N ATOM 24 CA CYS A 4 1.459 -9.816 -5.612 1.00 0.00 C ATOM 25 C CYS A 4 0.371 -10.046 -6.663 1.00 0.00 C ATOM 26 O CYS A 4 -0.791 -10.260 -6.323 1.00 0.00 O ATOM 27 CB CYS A 4 1.680 -11.054 -4.741 1.00 0.00 C ATOM 28 SG CYS A 4 3.101 -10.940 -3.593 1.00 0.00 S ATOM 0 H CYS A 4 1.712 -7.858 -4.913 1.00 0.00 H new ATOM 0 HA CYS A 4 2.410 -9.628 -6.110 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.776 -11.239 -4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.824 -11.917 -5.391 1.00 0.00 H new ATOM 29 N ASP A 5 0.787 -9.994 -7.920 1.00 0.00 N ATOM 30 CA ASP A 5 -0.104 -10.330 -9.018 1.00 0.00 C ATOM 31 C ASP A 5 0.726 -10.747 -10.234 1.00 0.00 C ATOM 32 O ASP A 5 0.430 -10.347 -11.358 1.00 0.00 O ATOM 33 CB ASP A 5 -0.962 -9.129 -9.420 1.00 0.00 C ATOM 34 CG ASP A 5 -2.190 -9.466 -10.266 1.00 0.00 C ATOM 35 OD1 ASP A 5 -2.111 -9.556 -11.500 1.00 0.00 O ATOM 36 OD2 ASP A 5 -3.281 -9.642 -9.599 1.00 0.00 O ATOM 0 H ASP A 5 1.729 -9.724 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.753 -11.142 -8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.292 -8.618 -8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.340 -8.426 -9.974 1.00 0.00 H new ATOM 37 N CYS A 6 1.751 -11.543 -9.966 1.00 0.00 N ATOM 38 CA CYS A 6 2.684 -11.937 -11.008 1.00 0.00 C ATOM 39 C CYS A 6 2.474 -13.424 -11.302 1.00 0.00 C ATOM 40 O CYS A 6 2.498 -14.251 -10.392 1.00 0.00 O ATOM 41 CB CYS A 6 4.131 -11.632 -10.616 1.00 0.00 C ATOM 42 SG CYS A 6 4.350 -10.127 -9.598 1.00 0.00 S ATOM 0 H CYS A 6 1.956 -11.926 -9.043 1.00 0.00 H new ATOM 0 HA CYS A 6 2.492 -11.358 -11.911 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.532 -12.485 -10.069 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.725 -11.529 -11.524 1.00 0.00 H new ATOM 43 N GLY A 7 2.274 -13.718 -12.579 1.00 0.00 N ATOM 44 CA GLY A 7 2.111 -15.096 -13.012 1.00 0.00 C ATOM 45 C GLY A 7 3.463 -15.804 -13.111 1.00 0.00 C ATOM 46 O GLY A 7 3.523 -17.031 -13.170 1.00 0.00 O ATOM 0 H GLY A 7 2.221 -13.026 -13.327 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.469 -15.628 -12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.612 -15.120 -13.981 1.00 0.00 H new ATOM 47 N SER A 8 4.517 -15.000 -13.124 1.00 0.00 N ATOM 48 CA SER A 8 5.866 -15.535 -13.181 1.00 0.00 C ATOM 49 C SER A 8 6.853 -14.532 -12.581 1.00 0.00 C ATOM 50 O SER A 8 6.637 -13.323 -12.654 1.00 0.00 O ATOM 51 CB SER A 8 6.263 -15.875 -14.619 1.00 0.00 C ATOM 52 OG SER A 8 5.323 -16.746 -15.241 1.00 0.00 O ATOM 0 H SER A 8 4.463 -13.982 -13.096 1.00 0.00 H new ATOM 0 HA SER A 8 5.894 -16.455 -12.598 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.345 -14.956 -15.199 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.248 -16.343 -14.622 1.00 0.00 H new ATOM 0 HG SER A 8 5.611 -16.938 -16.158 1.00 0.00 H new ATOM 53 N PRO A 9 7.944 -15.085 -11.986 1.00 0.00 N ATOM 54 CA PRO A 9 8.981 -14.252 -11.403 1.00 0.00 C ATOM 55 C PRO A 9 9.853 -13.620 -12.490 1.00 0.00 C ATOM 56 O PRO A 9 10.196 -12.442 -12.409 1.00 0.00 O ATOM 57 CB PRO A 9 9.759 -15.178 -10.482 1.00 0.00 C ATOM 58 CG PRO A 9 9.425 -16.590 -10.933 1.00 0.00 C ATOM 59 CD PRO A 9 8.217 -16.513 -11.852 1.00 0.00 C ATOM 0 HA PRO A 9 8.577 -13.406 -10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.830 -14.989 -10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.475 -15.023 -9.441 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.273 -17.035 -11.454 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.210 -17.225 -10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.426 -16.969 -12.820 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.363 -17.041 -11.429 1.00 0.00 H new ATOM 60 N SER A 10 10.185 -14.431 -13.484 1.00 0.00 N ATOM 61 CA SER A 10 11.055 -13.983 -14.557 1.00 0.00 C ATOM 62 C SER A 10 10.424 -12.791 -15.280 1.00 0.00 C ATOM 63 O SER A 10 11.126 -11.993 -15.898 1.00 0.00 O ATOM 64 CB SER A 10 11.337 -15.116 -15.547 1.00 0.00 C ATOM 65 OG SER A 10 12.212 -14.704 -16.593 1.00 0.00 O ATOM 0 H SER A 10 9.867 -15.396 -13.568 1.00 0.00 H new ATOM 0 HA SER A 10 12.005 -13.673 -14.120 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.778 -15.960 -15.016 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.398 -15.465 -15.976 1.00 0.00 H new ATOM 0 HG SER A 10 12.369 -15.455 -17.203 1.00 0.00 H new ATOM 66 N ASN A 11 9.105 -12.710 -15.178 1.00 0.00 N ATOM 67 CA ASN A 11 8.372 -11.625 -15.810 1.00 0.00 C ATOM 68 C ASN A 11 9.017 -10.291 -15.428 1.00 0.00 C ATOM 69 O ASN A 11 9.061 -9.932 -14.252 1.00 0.00 O ATOM 70 CB ASN A 11 6.917 -11.598 -15.341 1.00 0.00 C ATOM 71 CG ASN A 11 6.030 -10.862 -16.347 1.00 0.00 C ATOM 72 OD1 ASN A 11 6.323 -9.761 -16.783 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.932 -11.530 -16.691 1.00 0.00 N ATOM 0 H ASN A 11 8.526 -13.377 -14.668 1.00 0.00 H new ATOM 0 HA ASN A 11 8.400 -11.781 -16.888 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.555 -12.618 -15.209 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.854 -11.109 -14.369 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.276 -11.124 -17.358 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.747 -12.449 -16.288 1.00 0.00 H new ATOM 74 N PRO A 12 9.512 -9.572 -16.471 1.00 0.00 N ATOM 75 CA PRO A 12 10.223 -8.324 -16.251 1.00 0.00 C ATOM 76 C PRO A 12 9.253 -7.197 -15.890 1.00 0.00 C ATOM 77 O PRO A 12 9.677 -6.098 -15.536 1.00 0.00 O ATOM 78 CB PRO A 12 10.977 -8.068 -17.545 1.00 0.00 C ATOM 79 CG PRO A 12 10.300 -8.927 -18.600 1.00 0.00 C ATOM 80 CD PRO A 12 9.408 -9.927 -17.884 1.00 0.00 C ATOM 0 HA PRO A 12 10.912 -8.375 -15.408 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.939 -7.013 -17.817 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.029 -8.333 -17.443 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.712 -8.307 -19.277 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.044 -9.444 -19.206 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.378 -9.860 -18.234 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.739 -10.950 -18.061 1.00 0.00 H new ATOM 81 N CYS A 13 7.969 -7.509 -15.991 1.00 0.00 N ATOM 82 CA CYS A 13 6.937 -6.528 -15.706 1.00 0.00 C ATOM 83 C CYS A 13 6.780 -6.423 -14.187 1.00 0.00 C ATOM 84 O CYS A 13 6.274 -5.423 -13.679 1.00 0.00 O ATOM 85 CB CYS A 13 5.616 -6.880 -16.393 1.00 0.00 C ATOM 86 SG CYS A 13 5.736 -7.139 -18.201 1.00 0.00 S ATOM 0 H CYS A 13 7.621 -8.427 -16.266 1.00 0.00 H new ATOM 0 HA CYS A 13 7.233 -5.559 -16.108 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.215 -7.785 -15.936 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.899 -6.082 -16.201 1.00 0.00 H new ATOM 87 N CYS A 14 7.222 -7.469 -13.506 1.00 0.00 N ATOM 88 CA CYS A 14 6.998 -7.578 -12.074 1.00 0.00 C ATOM 89 C CYS A 14 8.351 -7.774 -11.389 1.00 0.00 C ATOM 90 O CYS A 14 9.220 -8.473 -11.911 1.00 0.00 O ATOM 91 CB CYS A 14 6.020 -8.707 -11.739 1.00 0.00 C ATOM 92 SG CYS A 14 6.156 -9.359 -10.035 1.00 0.00 S ATOM 0 H CYS A 14 7.734 -8.249 -13.918 1.00 0.00 H new ATOM 0 HA CYS A 14 6.535 -6.663 -11.705 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.003 -8.346 -11.895 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.179 -9.526 -12.440 1.00 0.00 H new ATOM 93 N ASP A 15 8.490 -7.144 -10.232 1.00 0.00 N ATOM 94 CA ASP A 15 9.659 -7.362 -9.396 1.00 0.00 C ATOM 95 C ASP A 15 9.423 -8.585 -8.506 1.00 0.00 C ATOM 96 O ASP A 15 8.587 -8.547 -7.604 1.00 0.00 O ATOM 97 CB ASP A 15 9.920 -6.160 -8.488 1.00 0.00 C ATOM 98 CG ASP A 15 10.000 -4.812 -9.207 1.00 0.00 C ATOM 99 OD1 ASP A 15 8.864 -4.242 -9.427 1.00 0.00 O ATOM 100 OD2 ASP A 15 11.093 -4.331 -9.542 1.00 0.00 O ATOM 0 H ASP A 15 7.812 -6.482 -9.853 1.00 0.00 H new ATOM 0 HA ASP A 15 10.518 -7.512 -10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.128 -6.110 -7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.855 -6.325 -7.952 1.00 0.00 H new ATOM 101 N ALA A 16 10.174 -9.638 -8.790 1.00 0.00 N ATOM 102 CA ALA A 16 10.020 -10.885 -8.060 1.00 0.00 C ATOM 103 C ALA A 16 10.559 -10.708 -6.639 1.00 0.00 C ATOM 104 O ALA A 16 10.183 -11.449 -5.732 1.00 0.00 O ATOM 105 CB ALA A 16 10.731 -12.010 -8.817 1.00 0.00 C ATOM 0 H ALA A 16 10.891 -9.654 -9.515 1.00 0.00 H new ATOM 0 HA ALA A 16 8.968 -11.158 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.616 -12.946 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.293 -12.114 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.791 -11.772 -8.911 1.00 0.00 H new ATOM 106 N ALA A 17 11.431 -9.722 -6.489 1.00 0.00 N ATOM 107 CA ALA A 17 12.081 -9.486 -5.211 1.00 0.00 C ATOM 108 C ALA A 17 11.027 -9.100 -4.171 1.00 0.00 C ATOM 109 O ALA A 17 10.959 -9.700 -3.099 1.00 0.00 O ATOM 110 CB ALA A 17 13.157 -8.412 -5.377 1.00 0.00 C ATOM 0 H ALA A 17 11.703 -9.077 -7.231 1.00 0.00 H new ATOM 0 HA ALA A 17 12.575 -10.391 -4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.645 -8.235 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.897 -8.747 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.697 -7.488 -5.727 1.00 0.00 H new ATOM 111 N THR A 18 10.233 -8.101 -4.524 1.00 0.00 N ATOM 112 CA THR A 18 9.263 -7.549 -3.592 1.00 0.00 C ATOM 113 C THR A 18 7.864 -8.088 -3.898 1.00 0.00 C ATOM 114 O THR A 18 6.898 -7.736 -3.221 1.00 0.00 O ATOM 115 CB THR A 18 9.356 -6.024 -3.659 1.00 0.00 C ATOM 116 OG1 THR A 18 9.525 -5.748 -5.047 1.00 0.00 O ATOM 117 CG2 THR A 18 10.635 -5.486 -3.014 1.00 0.00 C ATOM 0 H THR A 18 10.241 -7.658 -5.443 1.00 0.00 H new ATOM 0 HA THR A 18 9.479 -7.856 -2.569 1.00 0.00 H new ATOM 0 HB THR A 18 8.489 -5.585 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.593 -4.780 -5.182 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.651 -4.399 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.664 -5.778 -1.964 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.503 -5.898 -3.529 1.00 0.00 H new ATOM 118 N CYS A 19 7.799 -8.931 -4.917 1.00 0.00 N ATOM 119 CA CYS A 19 6.535 -9.526 -5.317 1.00 0.00 C ATOM 120 C CYS A 19 5.533 -8.399 -5.571 1.00 0.00 C ATOM 121 O CYS A 19 4.397 -8.455 -5.101 1.00 0.00 O ATOM 122 CB CYS A 19 6.023 -10.520 -4.272 1.00 0.00 C ATOM 123 SG CYS A 19 4.632 -11.571 -4.831 1.00 0.00 S ATOM 0 H CYS A 19 8.601 -9.217 -5.478 1.00 0.00 H new ATOM 0 HA CYS A 19 6.674 -10.101 -6.233 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.848 -11.164 -3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.709 -9.966 -3.387 1.00 0.00 H new ATOM 124 N LYS A 20 5.988 -7.402 -6.316 1.00 0.00 N ATOM 125 CA LYS A 20 5.138 -6.273 -6.654 1.00 0.00 C ATOM 126 C LYS A 20 5.443 -5.823 -8.086 1.00 0.00 C ATOM 127 O LYS A 20 6.490 -6.158 -8.635 1.00 0.00 O ATOM 128 CB LYS A 20 5.286 -5.160 -5.615 1.00 0.00 C ATOM 129 CG LYS A 20 4.301 -5.352 -4.461 1.00 0.00 C ATOM 130 CD LYS A 20 4.391 -4.196 -3.463 1.00 0.00 C ATOM 131 CE LYS A 20 5.643 -4.320 -2.593 1.00 0.00 C ATOM 132 NZ LYS A 20 5.604 -5.571 -1.803 1.00 0.00 N ATOM 0 H LYS A 20 6.934 -7.353 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 20 4.088 -6.564 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.306 -5.151 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.115 -4.192 -6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.286 -5.421 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.511 -6.293 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.409 -3.248 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.503 -4.187 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.533 -4.308 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.714 -3.463 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.200 -5.466 -0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.625 -5.769 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.960 -6.358 -2.382 1.00 0.00 H new ATOM 133 N LEU A 21 4.508 -5.070 -8.647 1.00 0.00 N ATOM 134 CA LEU A 21 4.598 -4.681 -10.043 1.00 0.00 C ATOM 135 C LEU A 21 5.500 -3.452 -10.168 1.00 0.00 C ATOM 136 O LEU A 21 5.868 -2.842 -9.164 1.00 0.00 O ATOM 137 CB LEU A 21 3.202 -4.482 -10.636 1.00 0.00 C ATOM 138 CG LEU A 21 2.460 -5.755 -11.048 1.00 0.00 C ATOM 139 CD1 LEU A 21 2.966 -6.272 -12.395 1.00 0.00 C ATOM 140 CD2 LEU A 21 2.552 -6.821 -9.953 1.00 0.00 C ATOM 0 H LEU A 21 3.684 -4.719 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 21 5.058 -5.476 -10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.592 -3.950 -9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.289 -3.837 -11.510 1.00 0.00 H new ATOM 0 HG LEU A 21 1.405 -5.511 -11.173 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.422 -7.177 -12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.807 -5.512 -13.160 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.030 -6.496 -12.322 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.017 -7.716 -10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.598 -7.069 -9.773 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.107 -6.439 -9.035 1.00 0.00 H new ATOM 141 N ARG A 22 5.832 -3.123 -11.408 1.00 0.00 N ATOM 142 CA ARG A 22 6.539 -1.887 -11.691 1.00 0.00 C ATOM 143 C ARG A 22 5.553 -0.720 -11.787 1.00 0.00 C ATOM 144 O ARG A 22 4.348 -0.931 -11.900 1.00 0.00 O ATOM 145 CB ARG A 22 7.325 -1.989 -13.001 1.00 0.00 C ATOM 146 CG ARG A 22 8.805 -2.266 -12.731 1.00 0.00 C ATOM 147 CD ARG A 22 9.104 -3.765 -12.803 1.00 0.00 C ATOM 148 NE ARG A 22 10.499 -4.025 -12.382 1.00 0.00 N ATOM 149 CZ ARG A 22 11.079 -5.232 -12.407 1.00 0.00 C ATOM 150 NH1 ARG A 22 10.443 -6.269 -12.968 1.00 0.00 N ATOM 151 NH2 ARG A 22 12.295 -5.401 -11.872 1.00 0.00 N ATOM 0 H ARG A 22 5.624 -3.692 -12.228 1.00 0.00 H new ATOM 0 HA ARG A 22 7.238 -1.711 -10.873 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.909 -2.785 -13.618 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.222 -1.062 -13.565 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.417 -1.734 -13.459 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.077 -1.884 -11.747 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.414 -4.313 -12.161 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.949 -4.126 -13.820 1.00 0.00 H new ATOM 0 HE ARG A 22 11.054 -3.235 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.517 -6.139 -13.376 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.885 -7.188 -12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.779 -4.611 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.737 -6.320 -11.891 1.00 0.00 H new ATOM 152 N PRO A 23 6.118 0.516 -11.734 1.00 0.00 N ATOM 153 CA PRO A 23 5.306 1.715 -11.851 1.00 0.00 C ATOM 154 C PRO A 23 4.865 1.940 -13.298 1.00 0.00 C ATOM 155 O PRO A 23 5.699 2.108 -14.186 1.00 0.00 O ATOM 156 CB PRO A 23 6.182 2.836 -11.316 1.00 0.00 C ATOM 157 CG PRO A 23 7.606 2.308 -11.354 1.00 0.00 C ATOM 158 CD PRO A 23 7.539 0.803 -11.564 1.00 0.00 C ATOM 0 HA PRO A 23 4.376 1.650 -11.287 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.082 3.734 -11.926 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.893 3.106 -10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.167 2.781 -12.159 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.125 2.541 -10.424 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.112 0.499 -12.440 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.952 0.265 -10.711 1.00 0.00 H new ATOM 159 N GLY A 24 3.554 1.934 -13.492 1.00 0.00 N ATOM 160 CA GLY A 24 2.995 1.983 -14.832 1.00 0.00 C ATOM 161 C GLY A 24 2.569 0.589 -15.298 1.00 0.00 C ATOM 162 O GLY A 24 2.109 0.422 -16.427 1.00 0.00 O ATOM 0 H GLY A 24 2.863 1.896 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.136 2.654 -14.848 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.732 2.392 -15.523 1.00 0.00 H new ATOM 163 N ALA A 25 2.737 -0.376 -14.406 1.00 0.00 N ATOM 164 CA ALA A 25 2.349 -1.745 -14.703 1.00 0.00 C ATOM 165 C ALA A 25 1.222 -2.167 -13.758 1.00 0.00 C ATOM 166 O ALA A 25 1.247 -1.843 -12.572 1.00 0.00 O ATOM 167 CB ALA A 25 3.573 -2.656 -14.593 1.00 0.00 C ATOM 0 H ALA A 25 3.136 -0.237 -13.478 1.00 0.00 H new ATOM 0 HA ALA A 25 1.972 -1.825 -15.723 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.283 -3.683 -14.815 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.333 -2.331 -15.303 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.976 -2.604 -13.582 1.00 0.00 H new ATOM 168 N GLN A 26 0.260 -2.883 -14.320 1.00 0.00 N ATOM 169 CA GLN A 26 -0.937 -3.241 -13.578 1.00 0.00 C ATOM 170 C GLN A 26 -0.911 -4.726 -13.211 1.00 0.00 C ATOM 171 O GLN A 26 -1.433 -5.121 -12.170 1.00 0.00 O ATOM 172 CB GLN A 26 -2.198 -2.895 -14.374 1.00 0.00 C ATOM 173 CG GLN A 26 -2.868 -1.636 -13.820 1.00 0.00 C ATOM 174 CD GLN A 26 -1.940 -0.424 -13.939 1.00 0.00 C ATOM 175 OE1 GLN A 26 -1.257 -0.040 -13.005 1.00 0.00 O ATOM 176 NE2 GLN A 26 -1.955 0.152 -15.137 1.00 0.00 N ATOM 0 H GLN A 26 0.285 -3.225 -15.281 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.957 -2.660 -12.656 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.940 -2.743 -15.422 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.897 -3.730 -14.336 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.794 -1.444 -14.362 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.136 -1.792 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.551 -0.222 -15.875 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.370 0.968 -15.318 1.00 0.00 H new ATOM 177 N CYS A 27 -0.297 -5.508 -14.087 1.00 0.00 N ATOM 178 CA CYS A 27 -0.196 -6.941 -13.867 1.00 0.00 C ATOM 179 C CYS A 27 0.900 -7.491 -14.783 1.00 0.00 C ATOM 180 O CYS A 27 1.184 -6.915 -15.832 1.00 0.00 O ATOM 181 CB CYS A 27 -1.536 -7.645 -14.095 1.00 0.00 C ATOM 182 SG CYS A 27 -1.405 -9.378 -14.667 1.00 0.00 S ATOM 0 H CYS A 27 0.135 -5.177 -14.950 1.00 0.00 H new ATOM 0 HA CYS A 27 0.069 -7.134 -12.827 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.103 -7.626 -13.164 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.108 -7.077 -14.829 1.00 0.00 H new ATOM 183 N ALA A 28 1.486 -8.598 -14.351 1.00 0.00 N ATOM 184 CA ALA A 28 2.596 -9.190 -15.080 1.00 0.00 C ATOM 185 C ALA A 28 2.052 -10.172 -16.120 1.00 0.00 C ATOM 186 O ALA A 28 2.535 -10.215 -17.250 1.00 0.00 O ATOM 187 CB ALA A 28 3.557 -9.857 -14.094 1.00 0.00 C ATOM 0 H ALA A 28 1.214 -9.101 -13.506 1.00 0.00 H new ATOM 0 HA ALA A 28 3.157 -8.423 -15.613 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.389 -10.301 -14.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.938 -9.111 -13.396 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.030 -10.635 -13.542 1.00 0.00 H new ATOM 188 N ASP A 29 1.054 -10.936 -15.699 1.00 0.00 N ATOM 189 CA ASP A 29 0.484 -11.961 -16.557 1.00 0.00 C ATOM 190 C ASP A 29 -0.818 -12.473 -15.937 1.00 0.00 C ATOM 191 O ASP A 29 -0.949 -12.526 -14.715 1.00 0.00 O ATOM 192 CB ASP A 29 1.437 -13.149 -16.703 1.00 0.00 C ATOM 193 CG ASP A 29 0.916 -14.292 -17.576 1.00 0.00 C ATOM 194 OD1 ASP A 29 0.206 -14.067 -18.567 1.00 0.00 O ATOM 195 OD2 ASP A 29 1.272 -15.473 -17.197 1.00 0.00 O ATOM 0 H ASP A 29 0.626 -10.866 -14.776 1.00 0.00 H new ATOM 0 HA ASP A 29 0.305 -11.519 -17.537 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.378 -12.792 -17.122 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.659 -13.542 -15.711 1.00 0.00 H new ATOM 196 N GLY A 30 -1.747 -12.837 -16.809 1.00 0.00 N ATOM 197 CA GLY A 30 -3.057 -13.281 -16.363 1.00 0.00 C ATOM 198 C GLY A 30 -3.947 -13.644 -17.553 1.00 0.00 C ATOM 199 O GLY A 30 -3.507 -13.590 -18.701 1.00 0.00 O ATOM 0 H GLY A 30 -1.619 -12.834 -17.821 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.948 -14.146 -15.708 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.531 -12.494 -15.776 1.00 0.00 H new ATOM 200 N LEU A 31 -5.183 -14.004 -17.240 1.00 0.00 N ATOM 201 CA LEU A 31 -6.160 -14.303 -18.272 1.00 0.00 C ATOM 202 C LEU A 31 -6.612 -12.999 -18.933 1.00 0.00 C ATOM 203 O LEU A 31 -6.960 -12.985 -20.113 1.00 0.00 O ATOM 204 CB LEU A 31 -7.312 -15.131 -17.697 1.00 0.00 C ATOM 205 CG LEU A 31 -7.012 -16.610 -17.443 1.00 0.00 C ATOM 206 CD1 LEU A 31 -7.932 -17.178 -16.360 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.089 -17.416 -18.741 1.00 0.00 C ATOM 0 H LEU A 31 -5.530 -14.095 -16.285 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.713 -14.919 -19.052 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.626 -14.677 -16.757 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.158 -15.064 -18.381 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.990 -16.693 -17.073 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.698 -18.230 -16.199 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.784 -16.627 -15.431 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.970 -17.082 -16.677 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.872 -18.464 -18.532 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.090 -17.330 -19.164 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.360 -17.029 -19.453 1.00 0.00 H new ATOM 208 N CYS A 32 -6.590 -11.935 -18.144 1.00 0.00 N ATOM 209 CA CYS A 32 -6.997 -10.631 -18.637 1.00 0.00 C ATOM 210 C CYS A 32 -5.814 -9.670 -18.491 1.00 0.00 C ATOM 211 O CYS A 32 -6.001 -8.486 -18.221 1.00 0.00 O ATOM 212 CB CYS A 32 -8.242 -10.115 -17.912 1.00 0.00 C ATOM 213 SG CYS A 32 -9.665 -11.266 -17.920 1.00 0.00 S ATOM 0 H CYS A 32 -6.297 -11.950 -17.167 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.274 -10.708 -19.688 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.978 -9.893 -16.878 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.550 -9.175 -18.371 1.00 0.00 H new ATOM 214 N CYS A 33 -4.623 -10.219 -18.676 1.00 0.00 N ATOM 215 CA CYS A 33 -3.410 -9.424 -18.583 1.00 0.00 C ATOM 216 C CYS A 33 -2.277 -10.194 -19.264 1.00 0.00 C ATOM 217 O CYS A 33 -2.014 -11.347 -18.926 1.00 0.00 O ATOM 218 CB CYS A 33 -3.072 -9.076 -17.132 1.00 0.00 C ATOM 219 SG CYS A 33 -1.282 -9.019 -16.753 1.00 0.00 S ATOM 0 H CYS A 33 -4.472 -11.205 -18.890 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.557 -8.471 -19.092 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.510 -8.107 -16.894 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.544 -9.809 -16.478 1.00 0.00 H new ATOM 220 N ASP A 34 -1.636 -9.525 -20.212 1.00 0.00 N ATOM 221 CA ASP A 34 -0.472 -10.093 -20.872 1.00 0.00 C ATOM 222 C ASP A 34 0.239 -8.998 -21.670 1.00 0.00 C ATOM 223 O ASP A 34 0.445 -9.139 -22.876 1.00 0.00 O ATOM 224 CB ASP A 34 -0.877 -11.201 -21.845 1.00 0.00 C ATOM 225 CG ASP A 34 0.277 -12.057 -22.367 1.00 0.00 C ATOM 226 OD1 ASP A 34 1.185 -12.338 -21.496 1.00 0.00 O ATOM 227 OD2 ASP A 34 0.309 -12.437 -23.548 1.00 0.00 O ATOM 0 H ASP A 34 -1.900 -8.596 -20.539 1.00 0.00 H new ATOM 0 HA ASP A 34 0.182 -10.509 -20.106 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.598 -11.852 -21.351 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.387 -10.748 -22.695 1.00 0.00 H new ATOM 228 N GLN A 35 0.596 -7.933 -20.967 1.00 0.00 N ATOM 229 CA GLN A 35 1.335 -6.845 -21.582 1.00 0.00 C ATOM 230 C GLN A 35 1.790 -5.844 -20.517 1.00 0.00 C ATOM 231 O GLN A 35 1.729 -4.634 -20.730 1.00 0.00 O ATOM 232 CB GLN A 35 0.497 -6.153 -22.660 1.00 0.00 C ATOM 233 CG GLN A 35 -0.832 -5.656 -22.087 1.00 0.00 C ATOM 234 CD GLN A 35 -1.805 -5.279 -23.207 1.00 0.00 C ATOM 235 OE1 GLN A 35 -2.121 -4.122 -23.425 1.00 0.00 O ATOM 236 NE2 GLN A 35 -2.260 -6.318 -23.900 1.00 0.00 N ATOM 0 H GLN A 35 0.387 -7.801 -19.977 1.00 0.00 H new ATOM 0 HA GLN A 35 2.219 -7.260 -22.065 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.054 -5.314 -23.076 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.307 -6.847 -23.479 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.275 -6.431 -21.461 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.656 -4.791 -21.447 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.954 -7.262 -23.664 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.915 -6.171 -24.668 1.00 0.00 H new ATOM 237 N CYS A 36 2.236 -6.387 -19.394 1.00 0.00 N ATOM 238 CA CYS A 36 2.587 -5.561 -18.251 1.00 0.00 C ATOM 239 C CYS A 36 1.362 -4.730 -17.865 1.00 0.00 C ATOM 240 O CYS A 36 1.493 -3.676 -17.244 1.00 0.00 O ATOM 241 CB CYS A 36 3.804 -4.681 -18.542 1.00 0.00 C ATOM 242 SG CYS A 36 5.257 -5.575 -19.206 1.00 0.00 S ATOM 0 H CYS A 36 2.362 -7.389 -19.251 1.00 0.00 H new ATOM 0 HA CYS A 36 2.872 -6.197 -17.413 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.514 -3.908 -19.254 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.096 -4.174 -17.622 1.00 0.00 H new ATOM 243 N ARG A 37 0.199 -5.235 -18.249 1.00 0.00 N ATOM 244 CA ARG A 37 -1.044 -4.523 -18.004 1.00 0.00 C ATOM 245 C ARG A 37 -2.241 -5.403 -18.371 1.00 0.00 C ATOM 246 O ARG A 37 -2.079 -6.586 -18.668 1.00 0.00 O ATOM 247 CB ARG A 37 -1.105 -3.227 -18.815 1.00 0.00 C ATOM 248 CG ARG A 37 -0.990 -2.004 -17.904 1.00 0.00 C ATOM 249 CD ARG A 37 -0.278 -0.853 -18.617 1.00 0.00 C ATOM 250 NE ARG A 37 1.173 -1.133 -18.704 1.00 0.00 N ATOM 251 CZ ARG A 37 2.057 -0.331 -19.314 1.00 0.00 C ATOM 252 NH1 ARG A 37 1.641 0.795 -19.910 1.00 0.00 N ATOM 253 NH2 ARG A 37 3.356 -0.655 -19.330 1.00 0.00 N ATOM 0 H ARG A 37 0.091 -6.129 -18.728 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.082 -4.277 -16.943 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.299 -3.215 -19.549 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.042 -3.185 -19.370 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.984 -1.684 -17.592 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.443 -2.270 -17.000 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.692 -0.722 -19.617 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.445 0.079 -18.078 1.00 0.00 H new ATOM 0 HE ARG A 37 1.522 -1.989 -18.273 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.651 1.042 -19.900 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.314 1.405 -20.374 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.673 -1.512 -18.878 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.028 -0.044 -19.794 1.00 0.00 H new ATOM 254 N PHE A 38 -3.416 -4.792 -18.338 1.00 0.00 N ATOM 255 CA PHE A 38 -4.618 -5.455 -18.815 1.00 0.00 C ATOM 256 C PHE A 38 -4.604 -5.586 -20.339 1.00 0.00 C ATOM 257 O PHE A 38 -3.740 -5.020 -21.006 1.00 0.00 O ATOM 258 CB PHE A 38 -5.804 -4.581 -18.401 1.00 0.00 C ATOM 259 CG PHE A 38 -5.818 -4.215 -16.915 1.00 0.00 C ATOM 260 CD1 PHE A 38 -5.616 -5.176 -15.976 1.00 0.00 C ATOM 261 CD2 PHE A 38 -6.033 -2.927 -16.536 1.00 0.00 C ATOM 262 CE1 PHE A 38 -5.630 -4.835 -14.597 1.00 0.00 C ATOM 263 CE2 PHE A 38 -6.048 -2.586 -15.157 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.845 -3.547 -14.217 1.00 0.00 C ATOM 0 H PHE A 38 -3.561 -3.845 -17.988 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.683 -6.457 -18.392 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.790 -3.664 -18.990 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.729 -5.103 -18.645 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.445 -6.199 -16.278 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.192 -2.163 -17.283 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.470 -5.599 -13.850 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.221 -1.563 -14.855 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.854 -3.288 -13.169 1.00 0.00 H new ATOM 265 N LYS A 39 -5.571 -6.338 -20.845 1.00 0.00 N ATOM 266 CA LYS A 39 -5.657 -6.583 -22.274 1.00 0.00 C ATOM 267 C LYS A 39 -7.102 -6.382 -22.735 1.00 0.00 C ATOM 268 O LYS A 39 -7.668 -7.242 -23.410 1.00 0.00 O ATOM 269 CB LYS A 39 -5.090 -7.963 -22.616 1.00 0.00 C ATOM 270 CG LYS A 39 -5.634 -9.031 -21.666 1.00 0.00 C ATOM 271 CD LYS A 39 -5.508 -10.427 -22.279 1.00 0.00 C ATOM 272 CE LYS A 39 -4.076 -10.951 -22.158 1.00 0.00 C ATOM 273 NZ LYS A 39 -3.866 -12.101 -23.064 1.00 0.00 N ATOM 0 H LYS A 39 -6.301 -6.785 -20.291 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.044 -5.867 -22.821 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.346 -8.221 -23.644 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.002 -7.938 -22.556 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.090 -8.994 -20.722 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.680 -8.823 -21.440 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.193 -11.111 -21.778 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.800 -10.395 -23.329 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.370 -10.156 -22.400 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.878 -11.251 -21.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.022 -12.630 -22.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.696 -12.726 -23.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.732 -11.757 -24.036 1.00 0.00 H new ATOM 274 N LYS A 40 -7.658 -5.241 -22.354 1.00 0.00 N ATOM 275 CA LYS A 40 -8.924 -4.801 -22.915 1.00 0.00 C ATOM 276 C LYS A 40 -10.004 -5.835 -22.594 1.00 0.00 C ATOM 277 O LYS A 40 -9.703 -6.925 -22.112 1.00 0.00 O ATOM 278 CB LYS A 40 -8.775 -4.510 -24.410 1.00 0.00 C ATOM 279 CG LYS A 40 -7.859 -3.307 -24.646 1.00 0.00 C ATOM 280 CD LYS A 40 -6.389 -3.729 -24.644 1.00 0.00 C ATOM 281 CE LYS A 40 -5.504 -2.633 -25.241 1.00 0.00 C ATOM 282 NZ LYS A 40 -4.082 -3.044 -25.214 1.00 0.00 N ATOM 0 H LYS A 40 -7.255 -4.608 -21.663 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.237 -3.861 -22.461 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.369 -5.386 -24.916 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.755 -4.316 -24.846 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.105 -2.839 -25.599 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.028 -2.559 -23.871 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.070 -3.944 -23.624 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.270 -4.649 -25.216 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.810 -2.428 -26.267 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.632 -1.708 -24.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.479 -2.224 -25.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.844 -3.410 -24.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.922 -3.787 -25.924 1.00 0.00 H new ATOM 283 N LYS A 41 -11.243 -5.456 -22.875 1.00 0.00 N ATOM 284 CA LYS A 41 -12.346 -6.400 -22.819 1.00 0.00 C ATOM 285 C LYS A 41 -12.427 -7.162 -24.144 1.00 0.00 C ATOM 286 O LYS A 41 -11.650 -6.902 -25.062 1.00 0.00 O ATOM 287 CB LYS A 41 -13.645 -5.686 -22.441 1.00 0.00 C ATOM 288 CG LYS A 41 -14.427 -6.486 -21.399 1.00 0.00 C ATOM 289 CD LYS A 41 -15.646 -5.703 -20.906 1.00 0.00 C ATOM 290 CE LYS A 41 -15.247 -4.685 -19.836 1.00 0.00 C ATOM 291 NZ LYS A 41 -16.445 -4.009 -19.292 1.00 0.00 N ATOM 0 H LYS A 41 -11.507 -4.508 -23.142 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.176 -7.138 -22.035 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.418 -4.695 -22.048 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.258 -5.544 -23.331 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.749 -7.434 -21.830 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.778 -6.724 -20.556 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.116 -5.189 -21.744 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.386 -6.393 -20.499 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.708 -5.186 -19.032 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.568 -3.947 -20.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.156 -3.321 -18.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.943 -3.515 -20.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.079 -4.715 -18.866 1.00 0.00 H new ATOM 292 N ARG A 42 -13.373 -8.086 -24.201 1.00 0.00 N ATOM 293 CA ARG A 42 -13.713 -8.733 -25.458 1.00 0.00 C ATOM 294 C ARG A 42 -12.750 -9.889 -25.738 1.00 0.00 C ATOM 295 O ARG A 42 -12.428 -10.167 -26.891 1.00 0.00 O ATOM 296 CB ARG A 42 -13.659 -7.739 -26.620 1.00 0.00 C ATOM 297 CG ARG A 42 -14.597 -8.166 -27.751 1.00 0.00 C ATOM 298 CD ARG A 42 -14.436 -7.257 -28.969 1.00 0.00 C ATOM 299 NE ARG A 42 -13.053 -7.343 -29.488 1.00 0.00 N ATOM 300 CZ ARG A 42 -12.571 -8.392 -30.169 1.00 0.00 C ATOM 301 NH1 ARG A 42 -13.385 -9.397 -30.517 1.00 0.00 N ATOM 302 NH2 ARG A 42 -11.273 -8.435 -30.501 1.00 0.00 N ATOM 0 H ARG A 42 -13.916 -8.403 -23.398 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.729 -9.117 -25.370 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.938 -6.746 -26.267 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.638 -7.669 -26.996 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.387 -9.198 -28.033 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.630 -8.135 -27.403 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.143 -7.548 -29.746 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.667 -6.227 -28.697 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.428 -6.555 -29.317 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.373 -9.364 -30.264 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.017 -10.195 -31.035 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.653 -7.670 -30.235 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.905 -9.233 -31.019 1.00 0.00 H new ATOM 303 N THR A 43 -12.317 -10.530 -24.663 1.00 0.00 N ATOM 304 CA THR A 43 -11.518 -11.737 -24.782 1.00 0.00 C ATOM 305 C THR A 43 -11.944 -12.765 -23.732 1.00 0.00 C ATOM 306 O THR A 43 -12.434 -12.401 -22.664 1.00 0.00 O ATOM 307 CB THR A 43 -10.044 -11.341 -24.681 1.00 0.00 C ATOM 308 OG1 THR A 43 -9.480 -11.783 -25.913 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.292 -12.144 -23.618 1.00 0.00 C ATOM 0 H THR A 43 -12.505 -10.236 -23.705 1.00 0.00 H new ATOM 0 HA THR A 43 -11.674 -12.220 -25.746 1.00 0.00 H new ATOM 0 HB THR A 43 -9.970 -10.278 -24.452 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.525 -11.564 -25.933 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.251 -11.823 -23.588 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.751 -11.977 -22.644 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.338 -13.205 -23.864 1.00 0.00 H new ATOM 310 N ILE A 44 -11.741 -14.030 -24.071 1.00 0.00 N ATOM 311 CA ILE A 44 -12.325 -15.114 -23.300 1.00 0.00 C ATOM 312 C ILE A 44 -11.396 -15.463 -22.135 1.00 0.00 C ATOM 313 O ILE A 44 -10.267 -15.904 -22.346 1.00 0.00 O ATOM 314 CB ILE A 44 -12.646 -16.304 -24.207 1.00 0.00 C ATOM 315 CG1 ILE A 44 -13.911 -16.042 -25.025 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.744 -17.599 -23.399 1.00 0.00 C ATOM 317 CD1 ILE A 44 -13.811 -14.716 -25.782 1.00 0.00 C ATOM 0 H ILE A 44 -11.180 -14.328 -24.869 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.277 -14.805 -22.869 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.825 -16.427 -24.913 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.066 -16.857 -25.732 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.778 -16.023 -24.364 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.973 -18.429 -24.068 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.795 -17.788 -22.898 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.534 -17.504 -22.654 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.724 -14.555 -26.355 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.680 -13.900 -25.071 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.958 -14.747 -26.460 1.00 0.00 H new ATOM 318 N CYS A 45 -11.905 -15.251 -20.930 1.00 0.00 N ATOM 319 CA CYS A 45 -11.139 -15.547 -19.731 1.00 0.00 C ATOM 320 C CYS A 45 -11.466 -16.975 -19.293 1.00 0.00 C ATOM 321 O CYS A 45 -10.658 -17.625 -18.631 1.00 0.00 O ATOM 322 CB CYS A 45 -11.416 -14.532 -18.620 1.00 0.00 C ATOM 323 SG CYS A 45 -12.706 -15.036 -17.423 1.00 0.00 S ATOM 0 H CYS A 45 -12.839 -14.878 -20.758 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.074 -15.470 -19.948 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.489 -14.347 -18.077 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.713 -13.587 -19.076 1.00 0.00 H new ATOM 324 N ARG A 46 -12.651 -17.424 -19.680 1.00 0.00 N ATOM 325 CA ARG A 46 -13.078 -18.776 -19.367 1.00 0.00 C ATOM 326 C ARG A 46 -14.010 -19.304 -20.461 1.00 0.00 C ATOM 327 O ARG A 46 -15.031 -18.690 -20.761 1.00 0.00 O ATOM 328 CB ARG A 46 -13.802 -18.829 -18.021 1.00 0.00 C ATOM 329 CG ARG A 46 -14.143 -20.270 -17.638 1.00 0.00 C ATOM 330 CD ARG A 46 -12.875 -21.115 -17.495 1.00 0.00 C ATOM 331 NE ARG A 46 -13.163 -22.333 -16.707 1.00 0.00 N ATOM 332 CZ ARG A 46 -13.512 -23.510 -17.245 1.00 0.00 C ATOM 333 NH1 ARG A 46 -13.924 -23.569 -18.519 1.00 0.00 N ATOM 334 NH2 ARG A 46 -13.446 -24.629 -16.510 1.00 0.00 N ATOM 0 H ARG A 46 -13.329 -16.874 -20.208 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.186 -19.400 -19.310 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.175 -18.382 -17.249 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.716 -18.237 -18.072 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.698 -20.279 -16.700 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.792 -20.708 -18.396 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.499 -21.390 -18.480 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.094 -20.533 -17.007 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.092 -22.274 -15.691 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.972 -22.718 -19.079 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.190 -24.465 -18.928 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.130 -24.585 -15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.712 -25.525 -16.920 1.00 0.00 H new ATOM 335 N ILE A 47 -13.623 -20.439 -21.027 1.00 0.00 N ATOM 336 CA ILE A 47 -14.389 -21.035 -22.108 1.00 0.00 C ATOM 337 C ILE A 47 -15.576 -21.804 -21.521 1.00 0.00 C ATOM 338 O ILE A 47 -15.539 -22.222 -20.365 1.00 0.00 O ATOM 339 CB ILE A 47 -13.485 -21.887 -22.999 1.00 0.00 C ATOM 340 CG1 ILE A 47 -12.119 -21.225 -23.186 1.00 0.00 C ATOM 341 CG2 ILE A 47 -14.163 -22.193 -24.336 1.00 0.00 C ATOM 342 CD1 ILE A 47 -11.005 -22.083 -22.583 1.00 0.00 C ATOM 0 H ILE A 47 -12.789 -20.961 -20.757 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.798 -20.261 -22.757 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.314 -22.841 -22.500 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.929 -21.070 -24.248 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.120 -20.242 -22.716 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.498 -22.800 -24.950 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.090 -22.737 -24.158 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.384 -21.260 -24.854 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.045 -21.589 -22.730 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.185 -22.216 -21.516 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.990 -23.057 -23.072 1.00 0.00 H new ATOM 343 N ALA A 48 -16.600 -21.968 -22.347 1.00 0.00 N ATOM 344 CA ALA A 48 -17.792 -22.684 -21.927 1.00 0.00 C ATOM 345 C ALA A 48 -17.601 -24.181 -22.186 1.00 0.00 C ATOM 346 O ALA A 48 -16.929 -24.568 -23.141 1.00 0.00 O ATOM 347 CB ALA A 48 -19.012 -22.117 -22.655 1.00 0.00 C ATOM 0 H ALA A 48 -16.628 -21.617 -23.304 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.961 -22.553 -20.858 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.906 -22.655 -22.340 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.120 -21.059 -22.414 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.880 -22.232 -23.731 1.00 0.00 H new ATOM 348 N ARG A 49 -18.204 -24.980 -21.319 1.00 0.00 N ATOM 349 CA ARG A 49 -18.153 -26.424 -21.472 1.00 0.00 C ATOM 350 C ARG A 49 -19.054 -26.867 -22.628 1.00 0.00 C ATOM 351 O ARG A 49 -18.781 -27.873 -23.281 1.00 0.00 O ATOM 352 CB ARG A 49 -18.597 -27.130 -20.190 1.00 0.00 C ATOM 353 CG ARG A 49 -18.595 -28.650 -20.370 1.00 0.00 C ATOM 354 CD ARG A 49 -17.187 -29.162 -20.682 1.00 0.00 C ATOM 355 NE ARG A 49 -17.165 -30.641 -20.639 1.00 0.00 N ATOM 356 CZ ARG A 49 -17.014 -31.358 -19.517 1.00 0.00 C ATOM 357 NH1 ARG A 49 -17.005 -30.743 -18.326 1.00 0.00 N ATOM 358 NH2 ARG A 49 -16.871 -32.689 -19.585 1.00 0.00 N ATOM 0 H ARG A 49 -18.731 -24.655 -20.508 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.120 -26.699 -21.685 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.931 -26.857 -19.371 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.597 -26.795 -19.914 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.967 -29.128 -19.464 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -19.273 -28.925 -21.177 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.874 -28.814 -21.667 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.476 -28.758 -19.961 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.271 -31.146 -21.519 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.113 -29.730 -18.274 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.890 -31.288 -17.471 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.877 -33.157 -20.491 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.756 -33.234 -18.730 1.00 0.00 H new ATOM 359 N GLY A 50 -20.108 -26.094 -22.844 1.00 0.00 N ATOM 360 CA GLY A 50 -21.028 -26.371 -23.935 1.00 0.00 C ATOM 361 C GLY A 50 -22.444 -25.908 -23.588 1.00 0.00 C ATOM 362 O GLY A 50 -22.884 -26.046 -22.447 1.00 0.00 O ATOM 0 H GLY A 50 -20.346 -25.276 -22.283 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -20.688 -25.867 -24.839 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.033 -27.440 -24.149 1.00 0.00 H new ATOM 363 N ASP A 51 -23.118 -25.369 -24.592 1.00 0.00 N ATOM 364 CA ASP A 51 -24.498 -24.945 -24.425 1.00 0.00 C ATOM 365 C ASP A 51 -24.558 -23.811 -23.400 1.00 0.00 C ATOM 366 O ASP A 51 -25.607 -23.555 -22.812 1.00 0.00 O ATOM 367 CB ASP A 51 -25.370 -26.092 -23.912 1.00 0.00 C ATOM 368 CG ASP A 51 -26.868 -25.790 -23.851 1.00 0.00 C ATOM 369 OD1 ASP A 51 -27.458 -25.290 -24.819 1.00 0.00 O ATOM 370 OD2 ASP A 51 -27.439 -26.091 -22.734 1.00 0.00 O ATOM 0 H ASP A 51 -22.735 -25.216 -25.525 1.00 0.00 H new ATOM 0 HA ASP A 51 -24.869 -24.617 -25.396 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -25.216 -26.960 -24.553 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -25.030 -26.368 -22.914 1.00 0.00 H new ATOM 371 N PHE A 52 -23.418 -23.161 -23.217 1.00 0.00 N ATOM 372 CA PHE A 52 -23.359 -21.971 -22.385 1.00 0.00 C ATOM 373 C PHE A 52 -22.554 -20.864 -23.067 1.00 0.00 C ATOM 374 O PHE A 52 -21.690 -21.141 -23.897 1.00 0.00 O ATOM 375 CB PHE A 52 -22.657 -22.369 -21.084 1.00 0.00 C ATOM 376 CG PHE A 52 -23.114 -23.715 -20.517 1.00 0.00 C ATOM 377 CD1 PHE A 52 -24.436 -23.946 -20.297 1.00 0.00 C ATOM 378 CD2 PHE A 52 -22.197 -24.678 -20.232 1.00 0.00 C ATOM 379 CE1 PHE A 52 -24.860 -25.195 -19.770 1.00 0.00 C ATOM 380 CE2 PHE A 52 -22.621 -25.927 -19.705 1.00 0.00 C ATOM 381 CZ PHE A 52 -23.944 -26.160 -19.486 1.00 0.00 C ATOM 0 H PHE A 52 -22.527 -23.436 -23.631 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.365 -21.593 -22.205 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -21.582 -22.407 -21.260 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -22.831 -21.594 -20.338 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -25.163 -23.180 -20.523 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -21.147 -24.493 -20.406 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -25.910 -25.379 -19.595 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -21.893 -26.692 -19.478 1.00 0.00 H new ATOM 0 HZ PHE A 52 -24.266 -27.110 -19.087 1.00 0.00 H new ATOM 382 N PRO A 53 -22.875 -19.600 -22.682 1.00 0.00 N ATOM 383 CA PRO A 53 -22.123 -18.455 -23.168 1.00 0.00 C ATOM 384 C PRO A 53 -20.762 -18.359 -22.476 1.00 0.00 C ATOM 385 O PRO A 53 -20.650 -18.621 -21.279 1.00 0.00 O ATOM 386 CB PRO A 53 -23.015 -17.254 -22.897 1.00 0.00 C ATOM 387 CG PRO A 53 -24.022 -17.711 -21.854 1.00 0.00 C ATOM 388 CD PRO A 53 -23.957 -19.227 -21.775 1.00 0.00 C ATOM 0 HA PRO A 53 -21.887 -18.526 -24.230 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -22.432 -16.408 -22.533 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.517 -16.927 -23.808 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.794 -17.268 -20.884 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -25.026 -17.386 -22.125 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.754 -19.562 -20.758 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.901 -19.680 -22.078 1.00 0.00 H new ATOM 389 N ASP A 54 -19.762 -17.981 -23.258 1.00 0.00 N ATOM 390 CA ASP A 54 -18.425 -17.788 -22.722 1.00 0.00 C ATOM 391 C ASP A 54 -18.401 -16.519 -21.866 1.00 0.00 C ATOM 392 O ASP A 54 -19.228 -15.627 -22.051 1.00 0.00 O ATOM 393 CB ASP A 54 -17.400 -17.619 -23.846 1.00 0.00 C ATOM 394 CG ASP A 54 -17.669 -16.451 -24.796 1.00 0.00 C ATOM 395 OD1 ASP A 54 -17.335 -15.290 -24.342 1.00 0.00 O ATOM 396 OD2 ASP A 54 -18.173 -16.639 -25.913 1.00 0.00 O ATOM 0 H ASP A 54 -19.850 -17.803 -24.258 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.169 -18.666 -22.129 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.414 -17.486 -23.401 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.366 -18.540 -24.428 1.00 0.00 H new ATOM 397 N ASP A 55 -17.446 -16.480 -20.949 1.00 0.00 N ATOM 398 CA ASP A 55 -17.259 -15.307 -20.113 1.00 0.00 C ATOM 399 C ASP A 55 -16.108 -14.467 -20.671 1.00 0.00 C ATOM 400 O ASP A 55 -15.026 -14.988 -20.937 1.00 0.00 O ATOM 401 CB ASP A 55 -16.903 -15.703 -18.679 1.00 0.00 C ATOM 402 CG ASP A 55 -16.463 -14.547 -17.779 1.00 0.00 C ATOM 403 OD1 ASP A 55 -15.381 -13.971 -17.962 1.00 0.00 O ATOM 404 OD2 ASP A 55 -17.294 -14.240 -16.842 1.00 0.00 O ATOM 0 H ASP A 55 -16.793 -17.242 -20.767 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.192 -14.743 -20.110 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.768 -16.187 -18.226 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.104 -16.444 -18.710 1.00 0.00 H new ATOM 405 N ARG A 56 -16.380 -13.180 -20.831 1.00 0.00 N ATOM 406 CA ARG A 56 -15.410 -12.278 -21.428 1.00 0.00 C ATOM 407 C ARG A 56 -14.560 -11.619 -20.340 1.00 0.00 C ATOM 408 O ARG A 56 -14.925 -11.635 -19.166 1.00 0.00 O ATOM 409 CB ARG A 56 -16.103 -11.192 -22.253 1.00 0.00 C ATOM 410 CG ARG A 56 -15.989 -11.484 -23.751 1.00 0.00 C ATOM 411 CD ARG A 56 -17.284 -11.123 -24.480 1.00 0.00 C ATOM 412 NE ARG A 56 -18.247 -12.244 -24.387 1.00 0.00 N ATOM 413 CZ ARG A 56 -19.437 -12.164 -23.776 1.00 0.00 C ATOM 414 NH1 ARG A 56 -20.107 -11.005 -23.763 1.00 0.00 N ATOM 415 NH2 ARG A 56 -19.957 -13.245 -23.178 1.00 0.00 N ATOM 0 H ARG A 56 -17.259 -12.740 -20.557 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.771 -12.866 -22.087 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.154 -11.130 -21.970 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.656 -10.222 -22.033 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.159 -10.917 -24.174 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.764 -12.540 -23.903 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.718 -10.223 -24.044 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.072 -10.900 -25.526 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.988 -13.133 -24.815 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.712 -10.182 -24.218 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.013 -10.945 -23.298 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.447 -14.128 -23.188 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.863 -13.184 -22.713 1.00 0.00 H new ATOM 416 N CYS A 57 -13.441 -11.054 -20.770 1.00 0.00 N ATOM 417 CA CYS A 57 -12.434 -10.582 -19.835 1.00 0.00 C ATOM 418 C CYS A 57 -12.895 -9.235 -19.274 1.00 0.00 C ATOM 419 O CYS A 57 -14.037 -8.831 -19.481 1.00 0.00 O ATOM 420 CB CYS A 57 -11.054 -10.485 -20.491 1.00 0.00 C ATOM 421 SG CYS A 57 -9.849 -11.741 -19.928 1.00 0.00 S ATOM 0 H CYS A 57 -13.210 -10.913 -21.753 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.326 -11.297 -19.020 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.173 -10.574 -21.571 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.643 -9.494 -20.296 1.00 0.00 H new ATOM 422 N THR A 58 -11.981 -8.578 -18.575 1.00 0.00 N ATOM 423 CA THR A 58 -12.257 -7.258 -18.034 1.00 0.00 C ATOM 424 C THR A 58 -11.003 -6.385 -18.089 1.00 0.00 C ATOM 425 O THR A 58 -10.194 -6.395 -17.163 1.00 0.00 O ATOM 426 CB THR A 58 -12.814 -7.435 -16.620 1.00 0.00 C ATOM 427 OG1 THR A 58 -12.069 -8.526 -16.087 1.00 0.00 O ATOM 428 CG2 THR A 58 -14.260 -7.934 -16.617 1.00 0.00 C ATOM 0 H THR A 58 -11.048 -8.936 -18.371 1.00 0.00 H new ATOM 0 HA THR A 58 -13.004 -6.734 -18.630 1.00 0.00 H new ATOM 0 HB THR A 58 -12.757 -6.486 -16.087 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.365 -8.708 -15.171 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.605 -8.042 -15.589 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.893 -7.217 -17.139 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.313 -8.899 -17.121 1.00 0.00 H new ATOM 429 N GLY A 59 -10.881 -5.649 -19.184 1.00 0.00 N ATOM 430 CA GLY A 59 -9.729 -4.786 -19.381 1.00 0.00 C ATOM 431 C GLY A 59 -9.475 -3.921 -18.144 1.00 0.00 C ATOM 432 O GLY A 59 -8.375 -3.403 -17.961 1.00 0.00 O ATOM 0 H GLY A 59 -11.561 -5.633 -19.944 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.848 -5.392 -19.593 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.893 -4.147 -20.249 1.00 0.00 H new ATOM 433 N LEU A 60 -10.511 -3.792 -17.329 1.00 0.00 N ATOM 434 CA LEU A 60 -10.416 -2.994 -16.119 1.00 0.00 C ATOM 435 C LEU A 60 -10.000 -3.893 -14.952 1.00 0.00 C ATOM 436 O LEU A 60 -10.219 -3.550 -13.791 1.00 0.00 O ATOM 437 CB LEU A 60 -11.720 -2.233 -15.875 1.00 0.00 C ATOM 438 CG LEU A 60 -12.195 -1.333 -17.017 1.00 0.00 C ATOM 439 CD1 LEU A 60 -13.554 -0.708 -16.694 1.00 0.00 C ATOM 440 CD2 LEU A 60 -11.143 -0.274 -17.354 1.00 0.00 C ATOM 0 H LEU A 60 -11.421 -4.227 -17.483 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.645 -2.231 -16.225 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.505 -2.957 -15.659 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.598 -1.620 -14.982 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.327 -1.950 -17.906 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.868 -0.073 -17.522 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.290 -1.497 -16.542 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.472 -0.108 -15.788 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.506 0.353 -18.169 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.955 0.345 -16.476 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.218 -0.764 -17.657 1.00 0.00 H new ATOM 441 N SER A 61 -9.409 -5.025 -15.300 1.00 0.00 N ATOM 442 CA SER A 61 -9.017 -6.004 -14.301 1.00 0.00 C ATOM 443 C SER A 61 -8.070 -7.034 -14.919 1.00 0.00 C ATOM 444 O SER A 61 -7.961 -7.127 -16.141 1.00 0.00 O ATOM 445 CB SER A 61 -10.243 -6.700 -13.703 1.00 0.00 C ATOM 446 OG SER A 61 -11.344 -5.808 -13.555 1.00 0.00 O ATOM 0 H SER A 61 -9.191 -5.287 -16.261 1.00 0.00 H new ATOM 0 HA SER A 61 -8.499 -5.483 -13.496 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.535 -7.533 -14.343 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.983 -7.120 -12.731 1.00 0.00 H new ATOM 0 HG SER A 61 -11.019 -4.936 -13.247 1.00 0.00 H new ATOM 447 N ASN A 62 -7.410 -7.783 -14.047 1.00 0.00 N ATOM 448 CA ASN A 62 -6.533 -8.852 -14.491 1.00 0.00 C ATOM 449 C ASN A 62 -7.161 -10.201 -14.140 1.00 0.00 C ATOM 450 O ASN A 62 -6.769 -11.232 -14.682 1.00 0.00 O ATOM 451 CB ASN A 62 -5.170 -8.770 -13.800 1.00 0.00 C ATOM 452 CG ASN A 62 -4.934 -9.989 -12.906 1.00 0.00 C ATOM 453 OD1 ASN A 62 -5.246 -9.997 -11.727 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.368 -11.016 -13.533 1.00 0.00 N ATOM 0 H ASN A 62 -7.466 -7.670 -13.035 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.398 -8.751 -15.568 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.381 -8.706 -14.550 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.116 -7.860 -13.202 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.170 -11.878 -13.024 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.132 -10.942 -14.523 1.00 0.00 H new ATOM 455 N ASP A 63 -8.125 -10.151 -13.232 1.00 0.00 N ATOM 456 CA ASP A 63 -8.756 -11.364 -12.741 1.00 0.00 C ATOM 457 C ASP A 63 -9.736 -11.887 -13.793 1.00 0.00 C ATOM 458 O ASP A 63 -9.956 -11.240 -14.817 1.00 0.00 O ATOM 459 CB ASP A 63 -9.541 -11.095 -11.456 1.00 0.00 C ATOM 460 CG ASP A 63 -8.953 -10.008 -10.554 1.00 0.00 C ATOM 461 OD1 ASP A 63 -8.866 -8.840 -11.095 1.00 0.00 O ATOM 462 OD2 ASP A 63 -8.596 -10.264 -9.395 1.00 0.00 O ATOM 0 H ASP A 63 -8.485 -9.288 -12.823 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.972 -12.093 -12.539 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.560 -10.813 -11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.606 -12.022 -10.887 1.00 0.00 H new ATOM 463 N CYS A 64 -10.296 -13.052 -13.506 1.00 0.00 N ATOM 464 CA CYS A 64 -11.249 -13.668 -14.415 1.00 0.00 C ATOM 465 C CYS A 64 -12.545 -13.932 -13.645 1.00 0.00 C ATOM 466 O CYS A 64 -12.712 -14.994 -13.049 1.00 0.00 O ATOM 467 CB CYS A 64 -10.687 -14.946 -15.041 1.00 0.00 C ATOM 468 SG CYS A 64 -11.919 -15.975 -15.921 1.00 0.00 S ATOM 0 H CYS A 64 -10.109 -13.586 -12.657 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.452 -12.993 -15.246 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.896 -14.674 -15.740 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.227 -15.546 -14.256 1.00 0.00 H new ATOM 469 N PRO A 65 -13.453 -12.919 -13.685 1.00 0.00 N ATOM 470 CA PRO A 65 -14.701 -13.005 -12.947 1.00 0.00 C ATOM 471 C PRO A 65 -15.682 -13.957 -13.636 1.00 0.00 C ATOM 472 O PRO A 65 -15.615 -14.151 -14.849 1.00 0.00 O ATOM 473 CB PRO A 65 -15.214 -11.576 -12.874 1.00 0.00 C ATOM 474 CG PRO A 65 -14.479 -10.813 -13.965 1.00 0.00 C ATOM 475 CD PRO A 65 -13.315 -11.672 -14.430 1.00 0.00 C ATOM 0 HA PRO A 65 -14.570 -13.420 -11.947 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.292 -11.540 -13.030 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.019 -11.141 -11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.149 -10.595 -14.797 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.120 -9.856 -13.586 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.357 -11.847 -15.505 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.360 -11.190 -14.222 1.00 0.00 H new ATOM 476 N ARG A 66 -16.568 -14.526 -12.833 1.00 0.00 N ATOM 477 CA ARG A 66 -17.574 -15.435 -13.354 1.00 0.00 C ATOM 478 C ARG A 66 -18.654 -14.658 -14.108 1.00 0.00 C ATOM 479 O ARG A 66 -18.856 -13.470 -13.861 1.00 0.00 O ATOM 480 CB ARG A 66 -18.228 -16.237 -12.226 1.00 0.00 C ATOM 481 CG ARG A 66 -17.174 -16.797 -11.269 1.00 0.00 C ATOM 482 CD ARG A 66 -17.707 -18.019 -10.519 1.00 0.00 C ATOM 483 NE ARG A 66 -16.946 -18.217 -9.266 1.00 0.00 N ATOM 484 CZ ARG A 66 -17.298 -19.076 -8.300 1.00 0.00 C ATOM 485 NH1 ARG A 66 -18.347 -19.891 -8.477 1.00 0.00 N ATOM 486 NH2 ARG A 66 -16.603 -19.119 -7.155 1.00 0.00 N ATOM 0 H ARG A 66 -16.610 -14.375 -11.825 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.076 -16.125 -14.035 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.921 -15.600 -11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.812 -17.055 -12.648 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.279 -17.071 -11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.881 -16.027 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.765 -17.885 -10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.625 -18.906 -11.148 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.100 -17.665 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.878 -19.857 -9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.615 -20.545 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.806 -18.498 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.871 -19.773 -6.420 1.00 0.00 H new ATOM 487 N TRP A 67 -19.319 -15.358 -15.015 1.00 0.00 N ATOM 488 CA TRP A 67 -20.391 -14.756 -15.788 1.00 0.00 C ATOM 489 C TRP A 67 -21.646 -14.727 -14.914 1.00 0.00 C ATOM 490 O TRP A 67 -22.579 -15.496 -15.135 1.00 0.00 O ATOM 491 CB TRP A 67 -20.600 -15.500 -17.110 1.00 0.00 C ATOM 492 CG TRP A 67 -20.928 -14.588 -18.292 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.126 -13.704 -18.900 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.190 -14.504 -18.991 1.00 0.00 C ATOM 495 NE1 TRP A 67 -20.774 -13.059 -19.935 1.00 0.00 N ATOM 496 CE2 TRP A 67 -22.068 -13.563 -19.991 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.392 -15.203 -18.782 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -23.113 -13.232 -20.864 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -24.426 -14.861 -19.663 1.00 0.00 C ATOM 500 CH2 TRP A 67 -24.321 -13.915 -20.675 1.00 0.00 C ATOM 0 H TRP A 67 -19.136 -16.338 -15.232 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.137 -13.733 -16.067 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.699 -16.068 -17.342 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.408 -16.221 -16.985 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.101 -13.519 -18.616 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -20.377 -12.345 -20.545 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.509 -15.944 -18.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -22.993 -12.491 -21.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.372 -15.369 -19.547 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -25.167 -13.707 -21.313 1.00 0.00 H new ATOM 501 N ASN A 68 -21.628 -13.830 -13.938 1.00 0.00 N ATOM 502 CA ASN A 68 -22.761 -13.676 -13.042 1.00 0.00 C ATOM 503 C ASN A 68 -22.561 -12.425 -12.186 1.00 0.00 C ATOM 504 O ASN A 68 -22.300 -12.523 -10.988 1.00 0.00 O ATOM 505 CB ASN A 68 -22.887 -14.878 -12.103 1.00 0.00 C ATOM 506 CG ASN A 68 -24.186 -14.807 -11.296 1.00 0.00 C ATOM 507 OD1 ASN A 68 -25.253 -15.180 -11.755 1.00 0.00 O ATOM 508 ND2 ASN A 68 -24.036 -14.311 -10.071 1.00 0.00 N ATOM 0 H ASN A 68 -20.846 -13.203 -13.749 1.00 0.00 H new ATOM 0 HA ASN A 68 -23.663 -13.596 -13.648 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.864 -15.801 -12.682 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.034 -14.906 -11.425 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -24.843 -14.224 -9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -23.114 -14.017 -9.749 1.00 0.00 H new ATOM 509 N ASP A 69 -22.694 -11.276 -12.833 1.00 0.00 N ATOM 510 CA ASP A 69 -22.565 -10.006 -12.138 1.00 0.00 C ATOM 511 C ASP A 69 -21.331 -10.047 -11.233 1.00 0.00 C ATOM 512 O ASP A 69 -21.455 -10.060 -10.009 1.00 0.00 O ATOM 513 CB ASP A 69 -23.787 -9.734 -11.259 1.00 0.00 C ATOM 514 CG ASP A 69 -23.793 -8.370 -10.565 1.00 0.00 C ATOM 515 OD1 ASP A 69 -23.923 -7.358 -11.353 1.00 0.00 O ATOM 516 OD2 ASP A 69 -23.681 -8.280 -9.334 1.00 0.00 O ATOM 0 H ASP A 69 -22.890 -11.198 -13.831 1.00 0.00 H new ATOM 0 HA ASP A 69 -22.476 -9.219 -12.887 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -24.684 -9.816 -11.873 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -23.849 -10.512 -10.498 1.00 0.00 H new ATOM 517 N LEU A 70 -20.112 -10.123 -11.846 1.00 0.00 N ATOM 518 CA LEU A 70 -18.846 -10.193 -11.089 1.00 0.00 C ATOM 519 C LEU A 70 -17.787 -9.376 -11.772 1.00 0.00 C ATOM 520 O LEU A 70 -17.868 -8.969 -12.929 1.00 0.00 O ATOM 521 CB LEU A 70 -18.376 -11.648 -10.937 1.00 0.00 C ATOM 522 CG LEU A 70 -19.248 -12.418 -9.934 1.00 0.00 C ATOM 523 CD1 LEU A 70 -18.934 -13.912 -9.982 1.00 0.00 C ATOM 524 CD2 LEU A 70 -19.048 -11.882 -8.511 1.00 0.00 C ATOM 525 OXT LEU A 70 -16.694 -9.110 -11.048 1.00 0.00 O ATOM 0 H LEU A 70 -19.991 -10.137 -12.859 1.00 0.00 H new ATOM 0 HA LEU A 70 -19.022 -9.786 -10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.409 -12.145 -11.906 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -17.338 -11.664 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 70 -20.291 -12.271 -10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -19.562 -14.439 -9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.130 -14.293 -10.984 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.885 -14.072 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.676 -12.443 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.002 -11.993 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -19.323 -10.828 -8.477 1.00 0.00 H new TER 526 LEU A 70