USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 699 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 52 THR OG1 : rot -127:sc= -3.31! USER MOD Set 1.2: A 55 GLN : amide:sc= -0.309 K(o=-3.6,f=-5.5!) USER MOD Set 2.1: A 20 THR OG1 : rot 155:sc= -7.4! USER MOD Set 2.2: A 23 GLN : amide:sc= -10.6! C(o=-18!,f=-35!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.32) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.187 USER MOD Single : A 10 ASN : amide:sc= -8.07! K(o=-8.1!,f=-1.7) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.112 (180deg=-0.755) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 170:sc= -1.06 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.17) USER MOD Single : A 34 GLN : amide:sc= -9.38! C(o=-9.4!,f=-16!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -1.29 USER MOD Single : A 44 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.92!) USER MOD Single : A 46 THR OG1 : rot 54:sc= -5.92! USER MOD Single : A 47 SER OG : rot 81:sc= 0.482 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= -0.206 (180deg=-0.216) USER MOD Single : A 61 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.33) USER MOD Single : A 62 ASN : amide:sc= -1.49! C(o=-1.5!,f=-4.1!) USER MOD Single : A 63 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-3.2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 32:sc= -4.33! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.6) USER MOD Single : A 72 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.235 -6.633 -6.368 1.00 0.00 N ATOM 2 CA GLY A 1 15.951 -6.556 -4.867 1.00 0.00 C ATOM 3 C GLY A 1 16.960 -7.081 -3.902 1.00 0.00 C ATOM 4 O GLY A 1 17.370 -6.395 -2.986 1.00 0.00 O ATOM 0 H1 GLY A 1 15.435 -6.226 -6.894 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.100 -6.098 -6.586 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.363 -7.627 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.777 -5.509 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.016 -7.086 -4.684 1.00 0.00 H new ATOM 10 N SER A 2 17.391 -8.301 -4.079 1.00 0.00 N ATOM 11 CA SER A 2 18.403 -8.876 -3.149 1.00 0.00 C ATOM 12 C SER A 2 19.536 -7.866 -2.958 1.00 0.00 C ATOM 13 O SER A 2 19.428 -6.934 -2.186 1.00 0.00 O ATOM 14 CB SER A 2 18.968 -10.168 -3.740 1.00 0.00 C ATOM 15 OG SER A 2 17.944 -11.153 -3.786 1.00 0.00 O ATOM 0 H SER A 2 17.086 -8.923 -4.827 1.00 0.00 H new ATOM 0 HA SER A 2 17.936 -9.094 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.356 -9.984 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.803 -10.523 -3.135 1.00 0.00 H new ATOM 0 HG SER A 2 18.304 -11.981 -4.166 1.00 0.00 H new ATOM 21 N HIS A 3 20.621 -8.042 -3.661 1.00 0.00 N ATOM 22 CA HIS A 3 21.756 -7.090 -3.527 1.00 0.00 C ATOM 23 C HIS A 3 21.330 -5.721 -4.060 1.00 0.00 C ATOM 24 O HIS A 3 20.669 -5.618 -5.075 1.00 0.00 O ATOM 25 CB HIS A 3 22.952 -7.602 -4.335 1.00 0.00 C ATOM 26 CG HIS A 3 24.036 -8.055 -3.395 1.00 0.00 C ATOM 27 ND1 HIS A 3 24.520 -7.245 -2.381 1.00 0.00 N ATOM 28 CD2 HIS A 3 24.739 -9.231 -3.306 1.00 0.00 C ATOM 29 CE1 HIS A 3 25.471 -7.937 -1.729 1.00 0.00 C ATOM 30 NE2 HIS A 3 25.645 -9.154 -2.252 1.00 0.00 N ATOM 0 H HIS A 3 20.769 -8.804 -4.322 1.00 0.00 H new ATOM 0 HA HIS A 3 22.039 -7.004 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 3 22.644 -8.427 -4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 3 23.328 -6.814 -4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 3 24.609 -10.085 -3.954 1.00 0.00 H new ATOM 0 HE1 HIS A 3 26.027 -7.555 -0.885 1.00 0.00 H new ATOM 0 HE2 HIS A 3 26.301 -9.872 -1.945 1.00 0.00 H new ATOM 38 N MET A 4 21.703 -4.668 -3.386 1.00 0.00 N ATOM 39 CA MET A 4 21.319 -3.308 -3.855 1.00 0.00 C ATOM 40 C MET A 4 22.544 -2.393 -3.812 1.00 0.00 C ATOM 41 O MET A 4 22.845 -1.697 -4.761 1.00 0.00 O ATOM 42 CB MET A 4 20.227 -2.743 -2.943 1.00 0.00 C ATOM 43 CG MET A 4 20.727 -2.729 -1.498 1.00 0.00 C ATOM 44 SD MET A 4 19.322 -2.535 -0.374 1.00 0.00 S ATOM 45 CE MET A 4 20.267 -2.504 1.168 1.00 0.00 C ATOM 0 H MET A 4 22.258 -4.691 -2.530 1.00 0.00 H new ATOM 0 HA MET A 4 20.943 -3.367 -4.876 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.962 -1.733 -3.257 1.00 0.00 H new ATOM 0 HB3 MET A 4 19.324 -3.348 -3.021 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.258 -3.655 -1.277 1.00 0.00 H new ATOM 0 HG3 MET A 4 21.436 -1.913 -1.355 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.585 -2.389 2.010 1.00 0.00 H new ATOM 0 HE2 MET A 4 20.821 -3.437 1.274 1.00 0.00 H new ATOM 0 HE3 MET A 4 20.966 -1.667 1.150 1.00 0.00 H new ATOM 55 N SER A 5 23.255 -2.392 -2.718 1.00 0.00 N ATOM 56 CA SER A 5 24.462 -1.524 -2.614 1.00 0.00 C ATOM 57 C SER A 5 24.183 -0.179 -3.286 1.00 0.00 C ATOM 58 O SER A 5 25.085 0.518 -3.704 1.00 0.00 O ATOM 59 CB SER A 5 25.642 -2.207 -3.306 1.00 0.00 C ATOM 60 OG SER A 5 25.207 -3.436 -3.874 1.00 0.00 O ATOM 0 H SER A 5 23.052 -2.955 -1.892 1.00 0.00 H new ATOM 0 HA SER A 5 24.703 -1.361 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.048 -1.558 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.443 -2.388 -2.590 1.00 0.00 H new ATOM 0 HG SER A 5 25.961 -3.875 -4.320 1.00 0.00 H new ATOM 66 N ASP A 6 22.936 0.191 -3.393 1.00 0.00 N ATOM 67 CA ASP A 6 22.595 1.491 -4.036 1.00 0.00 C ATOM 68 C ASP A 6 23.530 2.582 -3.511 1.00 0.00 C ATOM 69 O ASP A 6 23.977 2.539 -2.383 1.00 0.00 O ATOM 70 CB ASP A 6 21.147 1.856 -3.702 1.00 0.00 C ATOM 71 CG ASP A 6 20.940 1.789 -2.188 1.00 0.00 C ATOM 72 OD1 ASP A 6 21.638 2.500 -1.483 1.00 0.00 O ATOM 73 OD2 ASP A 6 20.088 1.028 -1.759 1.00 0.00 O ATOM 0 H ASP A 6 22.138 -0.352 -3.062 1.00 0.00 H new ATOM 0 HA ASP A 6 22.711 1.405 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.920 2.858 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 6 20.463 1.171 -4.204 1.00 0.00 H new ATOM 78 N GLY A 7 23.825 3.564 -4.319 1.00 0.00 N ATOM 79 CA GLY A 7 24.729 4.658 -3.861 1.00 0.00 C ATOM 80 C GLY A 7 25.343 5.362 -5.071 1.00 0.00 C ATOM 81 O GLY A 7 24.764 6.269 -5.634 1.00 0.00 O ATOM 0 H GLY A 7 23.480 3.656 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.172 5.374 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.517 4.250 -3.227 1.00 0.00 H new ATOM 85 N LEU A 8 26.515 4.954 -5.472 1.00 0.00 N ATOM 86 CA LEU A 8 27.170 5.604 -6.643 1.00 0.00 C ATOM 87 C LEU A 8 26.548 5.084 -7.942 1.00 0.00 C ATOM 88 O LEU A 8 26.482 5.797 -8.923 1.00 0.00 O ATOM 89 CB LEU A 8 28.668 5.289 -6.630 1.00 0.00 C ATOM 90 CG LEU A 8 29.467 6.594 -6.596 1.00 0.00 C ATOM 91 CD1 LEU A 8 30.960 6.276 -6.504 1.00 0.00 C ATOM 92 CD2 LEU A 8 29.195 7.392 -7.873 1.00 0.00 C ATOM 0 H LEU A 8 27.048 4.199 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 8 27.024 6.682 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.914 4.678 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.936 4.710 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 8 29.166 7.181 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.529 7.205 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 8 31.155 5.707 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.261 5.689 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.764 8.322 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.496 6.804 -8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.131 7.619 -7.940 1.00 0.00 H new ATOM 104 N PRO A 9 26.113 3.852 -7.909 1.00 0.00 N ATOM 105 CA PRO A 9 25.504 3.287 -9.133 1.00 0.00 C ATOM 106 C PRO A 9 24.003 3.584 -9.161 1.00 0.00 C ATOM 107 O PRO A 9 23.365 3.504 -10.191 1.00 0.00 O ATOM 108 CB PRO A 9 25.745 1.776 -9.059 1.00 0.00 C ATOM 109 CG PRO A 9 26.487 1.486 -7.738 1.00 0.00 C ATOM 110 CD PRO A 9 26.685 2.824 -7.012 1.00 0.00 C ATOM 0 HA PRO A 9 25.937 3.719 -10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.799 1.235 -9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 9 26.335 1.440 -9.911 1.00 0.00 H new ATOM 0 HG2 PRO A 9 25.912 0.797 -7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 9 27.448 1.012 -7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 9 26.182 2.824 -6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 9 27.741 3.014 -6.821 1.00 0.00 H new ATOM 118 N ASN A 10 23.433 3.920 -8.038 1.00 0.00 N ATOM 119 CA ASN A 10 21.974 4.213 -8.007 1.00 0.00 C ATOM 120 C ASN A 10 21.746 5.659 -7.562 1.00 0.00 C ATOM 121 O ASN A 10 20.672 6.204 -7.721 1.00 0.00 O ATOM 122 CB ASN A 10 21.286 3.262 -7.027 1.00 0.00 C ATOM 123 CG ASN A 10 21.423 1.824 -7.533 1.00 0.00 C ATOM 124 OD1 ASN A 10 20.498 1.042 -7.437 1.00 0.00 O ATOM 125 ND2 ASN A 10 22.547 1.441 -8.075 1.00 0.00 N ATOM 0 H ASN A 10 23.913 4.004 -7.142 1.00 0.00 H new ATOM 0 HA ASN A 10 21.557 4.075 -9.004 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.734 3.355 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 10 20.233 3.525 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.648 0.486 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.324 2.097 -8.156 1.00 0.00 H new ATOM 132 N LYS A 11 22.746 6.289 -7.007 1.00 0.00 N ATOM 133 CA LYS A 11 22.575 7.699 -6.558 1.00 0.00 C ATOM 134 C LYS A 11 21.192 7.864 -5.925 1.00 0.00 C ATOM 135 O LYS A 11 20.523 6.898 -5.616 1.00 0.00 O ATOM 136 CB LYS A 11 22.696 8.634 -7.763 1.00 0.00 C ATOM 137 CG LYS A 11 24.163 9.014 -7.968 1.00 0.00 C ATOM 138 CD LYS A 11 24.526 10.171 -7.035 1.00 0.00 C ATOM 139 CE LYS A 11 25.866 10.772 -7.464 1.00 0.00 C ATOM 140 NZ LYS A 11 26.657 11.132 -6.253 1.00 0.00 N ATOM 0 H LYS A 11 23.671 5.889 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 11 23.344 7.946 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 11 22.308 8.145 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.096 9.530 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.804 8.156 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 11 24.333 9.302 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 11 23.748 10.933 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 11 24.587 9.817 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 11 26.419 10.058 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 11 25.700 11.656 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.568 11.541 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.129 11.828 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 26.826 10.279 -5.682 1.00 0.00 H new ATOM 154 N LYS A 12 20.757 9.080 -5.730 1.00 0.00 N ATOM 155 CA LYS A 12 19.416 9.303 -5.119 1.00 0.00 C ATOM 156 C LYS A 12 18.434 8.265 -5.666 1.00 0.00 C ATOM 157 O LYS A 12 18.699 7.606 -6.652 1.00 0.00 O ATOM 158 CB LYS A 12 18.923 10.708 -5.470 1.00 0.00 C ATOM 159 CG LYS A 12 19.966 11.739 -5.033 1.00 0.00 C ATOM 160 CD LYS A 12 19.669 12.194 -3.602 1.00 0.00 C ATOM 161 CE LYS A 12 20.810 13.077 -3.098 1.00 0.00 C ATOM 162 NZ LYS A 12 21.159 14.084 -4.141 1.00 0.00 N ATOM 0 H LYS A 12 21.272 9.928 -5.967 1.00 0.00 H new ATOM 0 HA LYS A 12 19.486 9.205 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.747 10.786 -6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.972 10.905 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.965 11.307 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.951 12.595 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.729 12.745 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.551 11.328 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.515 13.579 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.681 12.465 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.671 14.876 -3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.762 13.641 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.289 14.439 -4.586 1.00 0.00 H new ATOM 176 N ARG A 13 17.303 8.107 -5.032 1.00 0.00 N ATOM 177 CA ARG A 13 16.317 7.104 -5.521 1.00 0.00 C ATOM 178 C ARG A 13 14.900 7.541 -5.142 1.00 0.00 C ATOM 179 O ARG A 13 14.437 7.295 -4.045 1.00 0.00 O ATOM 180 CB ARG A 13 16.620 5.748 -4.881 1.00 0.00 C ATOM 181 CG ARG A 13 15.806 4.658 -5.579 1.00 0.00 C ATOM 182 CD ARG A 13 16.036 3.320 -4.873 1.00 0.00 C ATOM 183 NE ARG A 13 16.388 2.267 -5.875 1.00 0.00 N ATOM 184 CZ ARG A 13 15.746 2.182 -7.012 1.00 0.00 C ATOM 185 NH1 ARG A 13 14.741 2.975 -7.262 1.00 0.00 N ATOM 186 NH2 ARG A 13 16.100 1.285 -7.893 1.00 0.00 N ATOM 0 H ARG A 13 17.021 8.627 -4.201 1.00 0.00 H new ATOM 0 HA ARG A 13 16.389 7.025 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.685 5.527 -4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.377 5.773 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.746 4.913 -5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.099 4.584 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.837 3.419 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.139 3.029 -4.327 1.00 0.00 H new ATOM 0 HE ARG A 13 17.138 1.607 -5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.452 3.666 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.244 2.904 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.875 0.653 -7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.601 1.217 -8.780 1.00 0.00 H new ATOM 200 N LYS A 14 14.203 8.184 -6.041 1.00 0.00 N ATOM 201 CA LYS A 14 12.815 8.626 -5.728 1.00 0.00 C ATOM 202 C LYS A 14 12.026 7.440 -5.168 1.00 0.00 C ATOM 203 O LYS A 14 10.948 7.596 -4.628 1.00 0.00 O ATOM 204 CB LYS A 14 12.138 9.133 -7.004 1.00 0.00 C ATOM 205 CG LYS A 14 11.282 10.361 -6.680 1.00 0.00 C ATOM 206 CD LYS A 14 10.261 10.590 -7.799 1.00 0.00 C ATOM 207 CE LYS A 14 10.489 11.966 -8.429 1.00 0.00 C ATOM 208 NZ LYS A 14 9.696 12.075 -9.687 1.00 0.00 N ATOM 0 H LYS A 14 14.535 8.421 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 14 12.843 9.430 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.891 9.389 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.517 8.348 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.768 10.217 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.917 11.240 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.356 9.812 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.249 10.525 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.194 12.750 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.549 12.110 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.851 13.010 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.998 11.335 -10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.685 11.956 -9.472 1.00 0.00 H new ATOM 222 N ARG A 15 12.559 6.255 -5.293 1.00 0.00 N ATOM 223 CA ARG A 15 11.852 5.051 -4.770 1.00 0.00 C ATOM 224 C ARG A 15 10.350 5.175 -5.042 1.00 0.00 C ATOM 225 O ARG A 15 9.555 5.310 -4.134 1.00 0.00 O ATOM 226 CB ARG A 15 12.088 4.937 -3.262 1.00 0.00 C ATOM 227 CG ARG A 15 11.413 3.670 -2.733 1.00 0.00 C ATOM 228 CD ARG A 15 12.423 2.844 -1.935 1.00 0.00 C ATOM 229 NE ARG A 15 11.874 1.481 -1.698 1.00 0.00 N ATOM 230 CZ ARG A 15 12.664 0.515 -1.315 1.00 0.00 C ATOM 231 NH1 ARG A 15 13.938 0.742 -1.149 1.00 0.00 N ATOM 232 NH2 ARG A 15 12.181 -0.679 -1.102 1.00 0.00 N ATOM 0 H ARG A 15 13.458 6.068 -5.737 1.00 0.00 H new ATOM 0 HA ARG A 15 12.237 4.162 -5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.157 4.907 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.688 5.814 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.565 3.935 -2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.021 3.081 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.365 2.778 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.637 3.332 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 15 10.879 1.302 -1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.316 1.674 -1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.556 -0.012 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.186 -0.858 -1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.799 -1.433 -0.803 1.00 0.00 H new ATOM 246 N ARG A 16 9.956 5.129 -6.286 1.00 0.00 N ATOM 247 CA ARG A 16 8.513 5.243 -6.615 1.00 0.00 C ATOM 248 C ARG A 16 7.725 4.163 -5.866 1.00 0.00 C ATOM 249 O ARG A 16 8.246 3.492 -4.998 1.00 0.00 O ATOM 250 CB ARG A 16 8.340 5.077 -8.128 1.00 0.00 C ATOM 251 CG ARG A 16 8.016 3.617 -8.472 1.00 0.00 C ATOM 252 CD ARG A 16 8.449 3.310 -9.908 1.00 0.00 C ATOM 253 NE ARG A 16 8.292 4.527 -10.768 1.00 0.00 N ATOM 254 CZ ARG A 16 7.174 5.203 -10.793 1.00 0.00 C ATOM 255 NH1 ARG A 16 6.119 4.759 -10.167 1.00 0.00 N ATOM 256 NH2 ARG A 16 7.101 6.308 -11.483 1.00 0.00 N ATOM 0 H ARG A 16 10.576 5.017 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 16 8.135 6.219 -6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.540 5.727 -8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.251 5.385 -8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.527 2.949 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.947 3.437 -8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.488 2.979 -9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.850 2.493 -10.309 1.00 0.00 H new ATOM 0 HE ARG A 16 9.074 4.834 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.163 3.879 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.250 5.292 -10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.915 6.641 -12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.230 6.839 -11.505 1.00 0.00 H new ATOM 270 N VAL A 17 6.473 3.991 -6.194 1.00 0.00 N ATOM 271 CA VAL A 17 5.655 2.956 -5.500 1.00 0.00 C ATOM 272 C VAL A 17 6.169 1.562 -5.865 1.00 0.00 C ATOM 273 O VAL A 17 6.505 1.290 -7.000 1.00 0.00 O ATOM 274 CB VAL A 17 4.191 3.084 -5.927 1.00 0.00 C ATOM 275 CG1 VAL A 17 4.098 3.046 -7.454 1.00 0.00 C ATOM 276 CG2 VAL A 17 3.385 1.923 -5.339 1.00 0.00 C ATOM 0 H VAL A 17 5.982 4.523 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 17 5.734 3.102 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 17 3.788 4.029 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.055 3.137 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.672 3.872 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.501 2.102 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.342 2.013 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.789 0.978 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.450 1.949 -4.251 1.00 0.00 H new ATOM 286 N LEU A 18 6.230 0.678 -4.906 1.00 0.00 N ATOM 287 CA LEU A 18 6.719 -0.702 -5.185 1.00 0.00 C ATOM 288 C LEU A 18 5.712 -1.713 -4.659 1.00 0.00 C ATOM 289 O LEU A 18 4.600 -1.818 -5.135 1.00 0.00 O ATOM 290 CB LEU A 18 8.058 -0.928 -4.478 1.00 0.00 C ATOM 291 CG LEU A 18 9.035 0.175 -4.870 1.00 0.00 C ATOM 292 CD1 LEU A 18 10.348 -0.012 -4.107 1.00 0.00 C ATOM 293 CD2 LEU A 18 9.307 0.109 -6.374 1.00 0.00 C ATOM 0 H LEU A 18 5.961 0.853 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 18 6.844 -0.825 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.914 -0.933 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.465 -1.902 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 18 8.604 1.145 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.047 0.776 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.156 0.037 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.778 -0.983 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.005 0.898 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.737 -0.861 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.373 0.243 -6.919 1.00 0.00 H new ATOM 305 N PHE A 19 6.115 -2.456 -3.677 1.00 0.00 N ATOM 306 CA PHE A 19 5.213 -3.488 -3.079 1.00 0.00 C ATOM 307 C PHE A 19 4.820 -4.509 -4.144 1.00 0.00 C ATOM 308 O PHE A 19 4.624 -4.178 -5.297 1.00 0.00 O ATOM 309 CB PHE A 19 3.932 -2.831 -2.545 1.00 0.00 C ATOM 310 CG PHE A 19 4.242 -1.885 -1.409 1.00 0.00 C ATOM 311 CD1 PHE A 19 4.978 -2.324 -0.301 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.775 -0.564 -1.460 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.248 -1.442 0.753 1.00 0.00 C ATOM 314 CE2 PHE A 19 4.046 0.318 -0.406 1.00 0.00 C ATOM 315 CZ PHE A 19 4.781 -0.122 0.701 1.00 0.00 C ATOM 0 H PHE A 19 7.041 -2.398 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 19 5.745 -3.977 -2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.435 -2.289 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.239 -3.600 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.337 -3.342 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.206 -0.226 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.817 -1.780 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.688 1.336 -0.447 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.988 0.556 1.515 1.00 0.00 H new ATOM 325 N THR A 20 4.677 -5.747 -3.761 1.00 0.00 N ATOM 326 CA THR A 20 4.263 -6.788 -4.744 1.00 0.00 C ATOM 327 C THR A 20 3.034 -6.260 -5.512 1.00 0.00 C ATOM 328 O THR A 20 2.020 -6.001 -4.895 1.00 0.00 O ATOM 329 CB THR A 20 3.870 -8.058 -3.985 1.00 0.00 C ATOM 330 OG1 THR A 20 2.777 -7.773 -3.124 1.00 0.00 O ATOM 331 CG2 THR A 20 5.060 -8.551 -3.158 1.00 0.00 C ATOM 0 H THR A 20 4.829 -6.083 -2.810 1.00 0.00 H new ATOM 0 HA THR A 20 5.077 -7.010 -5.434 1.00 0.00 H new ATOM 0 HB THR A 20 3.581 -8.832 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.271 -8.595 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.778 -9.455 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.898 -8.770 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.353 -7.780 -2.446 1.00 0.00 H new ATOM 339 N LYS A 21 3.073 -6.083 -6.831 1.00 0.00 N ATOM 340 CA LYS A 21 1.849 -5.575 -7.513 1.00 0.00 C ATOM 341 C LYS A 21 0.657 -6.258 -6.862 1.00 0.00 C ATOM 342 O LYS A 21 -0.451 -5.765 -6.873 1.00 0.00 O ATOM 343 CB LYS A 21 1.892 -5.914 -9.005 1.00 0.00 C ATOM 344 CG LYS A 21 0.643 -5.351 -9.690 1.00 0.00 C ATOM 345 CD LYS A 21 1.009 -4.086 -10.470 1.00 0.00 C ATOM 346 CE LYS A 21 -0.269 -3.325 -10.834 1.00 0.00 C ATOM 347 NZ LYS A 21 0.075 -2.147 -11.679 1.00 0.00 N ATOM 0 H LYS A 21 3.877 -6.265 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 21 1.779 -4.491 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.790 -5.494 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.940 -6.994 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.219 -6.096 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.120 -5.123 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.664 -3.453 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.559 -4.349 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.955 -3.981 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.781 -2.999 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.794 -1.631 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.714 -1.517 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.545 -2.469 -12.549 1.00 0.00 H new ATOM 361 N ALA A 22 0.910 -7.385 -6.257 1.00 0.00 N ATOM 362 CA ALA A 22 -0.156 -8.130 -5.545 1.00 0.00 C ATOM 363 C ALA A 22 -0.500 -7.360 -4.271 1.00 0.00 C ATOM 364 O ALA A 22 -1.592 -6.855 -4.106 1.00 0.00 O ATOM 365 CB ALA A 22 0.389 -9.504 -5.170 1.00 0.00 C ATOM 0 H ALA A 22 1.829 -7.826 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.043 -8.240 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.380 -10.070 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.679 -10.039 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.258 -9.386 -4.523 1.00 0.00 H new ATOM 371 N GLN A 23 0.445 -7.243 -3.378 1.00 0.00 N ATOM 372 CA GLN A 23 0.197 -6.476 -2.129 1.00 0.00 C ATOM 373 C GLN A 23 -0.633 -5.260 -2.506 1.00 0.00 C ATOM 374 O GLN A 23 -1.844 -5.248 -2.417 1.00 0.00 O ATOM 375 CB GLN A 23 1.532 -5.965 -1.582 1.00 0.00 C ATOM 376 CG GLN A 23 2.271 -7.040 -0.760 1.00 0.00 C ATOM 377 CD GLN A 23 1.625 -8.420 -0.920 1.00 0.00 C ATOM 378 OE1 GLN A 23 1.171 -8.781 -1.985 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.578 -9.222 0.109 1.00 0.00 N ATOM 0 H GLN A 23 1.378 -7.647 -3.462 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.302 -7.102 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.164 -5.644 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.356 -5.089 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.313 -7.087 -1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.270 -6.758 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.959 -8.923 1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.161 -10.148 0.015 1.00 0.00 H new ATOM 388 N THR A 24 0.042 -4.242 -2.955 1.00 0.00 N ATOM 389 CA THR A 24 -0.638 -3.000 -3.388 1.00 0.00 C ATOM 390 C THR A 24 -2.018 -3.337 -3.946 1.00 0.00 C ATOM 391 O THR A 24 -2.985 -2.645 -3.689 1.00 0.00 O ATOM 392 CB THR A 24 0.205 -2.363 -4.482 1.00 0.00 C ATOM 393 OG1 THR A 24 1.350 -1.752 -3.899 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.619 -1.313 -5.225 1.00 0.00 C ATOM 0 H THR A 24 1.058 -4.222 -3.041 1.00 0.00 H new ATOM 0 HA THR A 24 -0.754 -2.319 -2.545 1.00 0.00 H new ATOM 0 HB THR A 24 0.523 -3.130 -5.188 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.973 -1.483 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.010 -0.860 -6.008 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.493 -1.786 -5.673 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.943 -0.543 -4.525 1.00 0.00 H new ATOM 402 N TYR A 25 -2.128 -4.394 -4.710 1.00 0.00 N ATOM 403 CA TYR A 25 -3.452 -4.752 -5.268 1.00 0.00 C ATOM 404 C TYR A 25 -4.380 -5.104 -4.103 1.00 0.00 C ATOM 405 O TYR A 25 -5.175 -4.292 -3.671 1.00 0.00 O ATOM 406 CB TYR A 25 -3.301 -5.930 -6.239 1.00 0.00 C ATOM 407 CG TYR A 25 -4.343 -6.906 -6.058 1.00 0.00 C ATOM 408 CD1 TYR A 25 -5.612 -6.615 -6.485 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.017 -8.125 -5.532 1.00 0.00 C ATOM 410 CE1 TYR A 25 -6.590 -7.561 -6.372 1.00 0.00 C ATOM 411 CE2 TYR A 25 -4.978 -9.087 -5.421 1.00 0.00 C ATOM 412 CZ TYR A 25 -6.289 -8.821 -5.839 1.00 0.00 C ATOM 413 OH TYR A 25 -7.266 -9.788 -5.731 1.00 0.00 O ATOM 0 H TYR A 25 -1.361 -5.016 -4.966 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.878 -3.918 -5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.322 -5.561 -7.265 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.330 -6.402 -6.090 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.837 -5.647 -6.907 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.007 -8.325 -5.207 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.596 -7.338 -6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.728 -10.054 -5.011 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.881 -10.600 -5.341 1.00 0.00 H new ATOM 423 N GLU A 26 -4.268 -6.287 -3.561 1.00 0.00 N ATOM 424 CA GLU A 26 -5.129 -6.635 -2.397 1.00 0.00 C ATOM 425 C GLU A 26 -5.163 -5.420 -1.475 1.00 0.00 C ATOM 426 O GLU A 26 -6.207 -4.915 -1.113 1.00 0.00 O ATOM 427 CB GLU A 26 -4.510 -7.799 -1.626 1.00 0.00 C ATOM 428 CG GLU A 26 -5.184 -9.113 -2.011 1.00 0.00 C ATOM 429 CD GLU A 26 -6.470 -9.287 -1.201 1.00 0.00 C ATOM 430 OE1 GLU A 26 -7.107 -8.285 -0.918 1.00 0.00 O ATOM 431 OE2 GLU A 26 -6.795 -10.417 -0.878 1.00 0.00 O ATOM 0 H GLU A 26 -3.627 -7.018 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.127 -6.913 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.442 -7.856 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.615 -7.630 -0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.410 -9.118 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.509 -9.948 -1.824 1.00 0.00 H new ATOM 438 N LEU A 27 -4.002 -4.946 -1.110 1.00 0.00 N ATOM 439 CA LEU A 27 -3.897 -3.763 -0.231 1.00 0.00 C ATOM 440 C LEU A 27 -4.825 -2.667 -0.755 1.00 0.00 C ATOM 441 O LEU A 27 -5.420 -1.925 0.001 1.00 0.00 O ATOM 442 CB LEU A 27 -2.439 -3.314 -0.277 1.00 0.00 C ATOM 443 CG LEU A 27 -2.274 -1.887 0.238 1.00 0.00 C ATOM 444 CD1 LEU A 27 -2.531 -1.858 1.743 1.00 0.00 C ATOM 445 CD2 LEU A 27 -0.840 -1.437 -0.047 1.00 0.00 C ATOM 0 H LEU A 27 -3.107 -5.343 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.191 -3.986 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.830 -3.991 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.071 -3.377 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.982 -1.221 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.414 -0.839 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.545 -2.203 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.818 -2.511 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.700 -0.418 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.142 -2.101 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.655 -1.471 -1.121 1.00 0.00 H new ATOM 457 N GLU A 28 -4.961 -2.572 -2.050 1.00 0.00 N ATOM 458 CA GLU A 28 -5.860 -1.539 -2.635 1.00 0.00 C ATOM 459 C GLU A 28 -7.302 -2.037 -2.541 1.00 0.00 C ATOM 460 O GLU A 28 -8.227 -1.275 -2.339 1.00 0.00 O ATOM 461 CB GLU A 28 -5.490 -1.314 -4.102 1.00 0.00 C ATOM 462 CG GLU A 28 -4.510 -0.145 -4.210 1.00 0.00 C ATOM 463 CD GLU A 28 -4.342 0.248 -5.679 1.00 0.00 C ATOM 464 OE1 GLU A 28 -3.560 -0.397 -6.358 1.00 0.00 O ATOM 465 OE2 GLU A 28 -4.996 1.189 -6.098 1.00 0.00 O ATOM 0 H GLU A 28 -4.487 -3.167 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.755 -0.600 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.042 -2.217 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.386 -1.105 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.877 0.705 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.546 -0.425 -3.785 1.00 0.00 H new ATOM 472 N ARG A 29 -7.493 -3.318 -2.685 1.00 0.00 N ATOM 473 CA ARG A 29 -8.864 -3.892 -2.602 1.00 0.00 C ATOM 474 C ARG A 29 -9.470 -3.566 -1.234 1.00 0.00 C ATOM 475 O ARG A 29 -10.639 -3.252 -1.122 1.00 0.00 O ATOM 476 CB ARG A 29 -8.773 -5.410 -2.784 1.00 0.00 C ATOM 477 CG ARG A 29 -8.636 -5.740 -4.273 1.00 0.00 C ATOM 478 CD ARG A 29 -9.854 -6.539 -4.737 1.00 0.00 C ATOM 479 NE ARG A 29 -11.059 -5.663 -4.713 1.00 0.00 N ATOM 480 CZ ARG A 29 -12.141 -6.024 -5.346 1.00 0.00 C ATOM 481 NH1 ARG A 29 -12.165 -7.148 -6.008 1.00 0.00 N ATOM 482 NH2 ARG A 29 -13.199 -5.260 -5.320 1.00 0.00 N ATOM 0 H ARG A 29 -6.752 -3.997 -2.858 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.497 -3.467 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.918 -5.802 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.662 -5.890 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.549 -4.821 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.725 -6.313 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.689 -6.922 -5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.005 -7.402 -4.089 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.038 -4.781 -4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.338 -7.744 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.011 -7.430 -6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.180 -4.380 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.045 -5.543 -5.815 1.00 0.00 H new ATOM 496 N ARG A 30 -8.683 -3.629 -0.194 1.00 0.00 N ATOM 497 CA ARG A 30 -9.210 -3.312 1.165 1.00 0.00 C ATOM 498 C ARG A 30 -9.820 -1.904 1.145 1.00 0.00 C ATOM 499 O ARG A 30 -10.916 -1.681 1.622 1.00 0.00 O ATOM 500 CB ARG A 30 -8.054 -3.358 2.175 1.00 0.00 C ATOM 501 CG ARG A 30 -8.467 -4.124 3.448 1.00 0.00 C ATOM 502 CD ARG A 30 -9.895 -3.756 3.859 1.00 0.00 C ATOM 503 NE ARG A 30 -10.818 -4.870 3.503 1.00 0.00 N ATOM 504 CZ ARG A 30 -12.006 -4.927 4.039 1.00 0.00 C ATOM 505 NH1 ARG A 30 -12.392 -3.999 4.870 1.00 0.00 N ATOM 506 NH2 ARG A 30 -12.809 -5.912 3.742 1.00 0.00 N ATOM 0 H ARG A 30 -7.697 -3.887 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.971 -4.037 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.188 -3.839 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.754 -2.343 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.399 -5.197 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.778 -3.890 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.938 -3.563 4.931 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.204 -2.839 3.357 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.521 -5.587 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.765 -3.228 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.321 -4.044 5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.508 -6.637 3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.738 -5.957 4.161 1.00 0.00 H new ATOM 520 N PHE A 31 -9.114 -0.953 0.592 1.00 0.00 N ATOM 521 CA PHE A 31 -9.637 0.445 0.533 1.00 0.00 C ATOM 522 C PHE A 31 -11.139 0.434 0.253 1.00 0.00 C ATOM 523 O PHE A 31 -11.936 0.844 1.073 1.00 0.00 O ATOM 524 CB PHE A 31 -8.917 1.205 -0.584 1.00 0.00 C ATOM 525 CG PHE A 31 -9.367 2.646 -0.587 1.00 0.00 C ATOM 526 CD1 PHE A 31 -10.595 2.996 -1.160 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.553 3.634 -0.017 1.00 0.00 C ATOM 528 CE1 PHE A 31 -11.010 4.334 -1.164 1.00 0.00 C ATOM 529 CE2 PHE A 31 -8.968 4.970 -0.022 1.00 0.00 C ATOM 530 CZ PHE A 31 -10.196 5.321 -0.595 1.00 0.00 C ATOM 0 H PHE A 31 -8.192 -1.085 0.176 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.459 0.935 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.838 1.151 -0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.132 0.744 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.223 2.235 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.606 3.364 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.958 4.604 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.340 5.731 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.515 6.353 -0.598 1.00 0.00 H new ATOM 540 N ARG A 32 -11.535 -0.023 -0.902 1.00 0.00 N ATOM 541 CA ARG A 32 -12.987 -0.048 -1.231 1.00 0.00 C ATOM 542 C ARG A 32 -13.789 -0.428 0.016 1.00 0.00 C ATOM 543 O ARG A 32 -14.827 0.140 0.295 1.00 0.00 O ATOM 544 CB ARG A 32 -13.242 -1.075 -2.333 1.00 0.00 C ATOM 545 CG ARG A 32 -12.883 -0.470 -3.694 1.00 0.00 C ATOM 546 CD ARG A 32 -11.783 -1.306 -4.343 1.00 0.00 C ATOM 547 NE ARG A 32 -11.600 -0.875 -5.757 1.00 0.00 N ATOM 548 CZ ARG A 32 -10.537 -1.246 -6.415 1.00 0.00 C ATOM 549 NH1 ARG A 32 -9.644 -2.001 -5.836 1.00 0.00 N ATOM 550 NH2 ARG A 32 -10.368 -0.866 -7.652 1.00 0.00 N ATOM 0 H ARG A 32 -10.917 -0.380 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.297 0.939 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.647 -1.971 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.288 -1.380 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.763 -0.444 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.548 0.560 -3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.850 -1.189 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.045 -2.363 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.304 -0.292 -6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.778 -2.300 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.812 -2.292 -6.349 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.068 -0.278 -8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.536 -1.157 -8.166 1.00 0.00 H new ATOM 564 N GLN A 33 -13.320 -1.388 0.764 1.00 0.00 N ATOM 565 CA GLN A 33 -14.060 -1.809 1.988 1.00 0.00 C ATOM 566 C GLN A 33 -13.705 -0.882 3.156 1.00 0.00 C ATOM 567 O GLN A 33 -14.346 -0.900 4.188 1.00 0.00 O ATOM 568 CB GLN A 33 -13.675 -3.247 2.339 1.00 0.00 C ATOM 569 CG GLN A 33 -14.345 -4.210 1.357 1.00 0.00 C ATOM 570 CD GLN A 33 -15.600 -4.802 1.997 1.00 0.00 C ATOM 571 OE1 GLN A 33 -16.081 -5.836 1.575 1.00 0.00 O ATOM 572 NE2 GLN A 33 -16.157 -4.188 3.005 1.00 0.00 N ATOM 0 H GLN A 33 -12.457 -1.899 0.581 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.132 -1.751 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.592 -3.365 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.983 -3.478 3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.606 -3.685 0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.653 -5.007 1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.754 -3.321 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.995 -4.576 3.438 1.00 0.00 H new ATOM 581 N GLN A 34 -12.695 -0.070 2.999 1.00 0.00 N ATOM 582 CA GLN A 34 -12.295 0.863 4.089 1.00 0.00 C ATOM 583 C GLN A 34 -11.783 2.155 3.458 1.00 0.00 C ATOM 584 O GLN A 34 -10.911 2.137 2.612 1.00 0.00 O ATOM 585 CB GLN A 34 -11.154 0.247 4.912 1.00 0.00 C ATOM 586 CG GLN A 34 -11.639 -0.154 6.307 1.00 0.00 C ATOM 587 CD GLN A 34 -13.005 -0.835 6.215 1.00 0.00 C ATOM 588 OE1 GLN A 34 -13.092 -2.007 5.907 1.00 0.00 O ATOM 589 NE2 GLN A 34 -14.083 -0.145 6.470 1.00 0.00 N ATOM 0 H GLN A 34 -12.126 -0.013 2.155 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.152 1.055 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.759 -0.628 4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.336 0.962 4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.919 -0.828 6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.706 0.728 6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.009 0.839 6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.999 -0.590 6.411 1.00 0.00 H new ATOM 598 N ARG A 35 -12.292 3.276 3.869 1.00 0.00 N ATOM 599 CA ARG A 35 -11.800 4.548 3.299 1.00 0.00 C ATOM 600 C ARG A 35 -10.377 4.775 3.825 1.00 0.00 C ATOM 601 O ARG A 35 -9.521 5.283 3.127 1.00 0.00 O ATOM 602 CB ARG A 35 -12.760 5.683 3.701 1.00 0.00 C ATOM 603 CG ARG A 35 -12.050 6.741 4.549 1.00 0.00 C ATOM 604 CD ARG A 35 -12.902 8.011 4.596 1.00 0.00 C ATOM 605 NE ARG A 35 -12.127 9.145 4.015 1.00 0.00 N ATOM 606 CZ ARG A 35 -12.738 10.245 3.672 1.00 0.00 C ATOM 607 NH1 ARG A 35 -14.027 10.355 3.839 1.00 0.00 N ATOM 608 NH2 ARG A 35 -12.060 11.238 3.163 1.00 0.00 N ATOM 0 H ARG A 35 -13.025 3.365 4.573 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.769 4.521 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.171 6.148 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.600 5.270 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.885 6.363 5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.070 6.963 4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.827 7.863 4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.183 8.237 5.625 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.119 9.060 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.557 9.581 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.504 11.215 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.052 11.154 3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.539 12.098 2.895 1.00 0.00 H new ATOM 622 N TYR A 36 -10.113 4.381 5.046 1.00 0.00 N ATOM 623 CA TYR A 36 -8.735 4.554 5.606 1.00 0.00 C ATOM 624 C TYR A 36 -8.415 3.423 6.593 1.00 0.00 C ATOM 625 O TYR A 36 -7.964 3.677 7.690 1.00 0.00 O ATOM 626 CB TYR A 36 -8.630 5.902 6.328 1.00 0.00 C ATOM 627 CG TYR A 36 -9.941 6.258 6.991 1.00 0.00 C ATOM 628 CD1 TYR A 36 -10.818 5.254 7.400 1.00 0.00 C ATOM 629 CD2 TYR A 36 -10.273 7.603 7.197 1.00 0.00 C ATOM 630 CE1 TYR A 36 -12.030 5.587 8.015 1.00 0.00 C ATOM 631 CE2 TYR A 36 -11.486 7.940 7.811 1.00 0.00 C ATOM 632 CZ TYR A 36 -12.365 6.931 8.221 1.00 0.00 C ATOM 633 OH TYR A 36 -13.561 7.259 8.827 1.00 0.00 O ATOM 0 H TYR A 36 -10.788 3.949 5.677 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.020 4.524 4.784 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.839 5.858 7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.354 6.680 5.617 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.561 4.217 7.242 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.593 8.381 6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.707 4.807 8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.743 8.977 7.968 1.00 0.00 H new ATOM 0 HH TYR A 36 -13.637 8.234 8.894 1.00 0.00 H new ATOM 643 N LEU A 37 -8.633 2.186 6.199 1.00 0.00 N ATOM 644 CA LEU A 37 -8.342 1.008 7.113 1.00 0.00 C ATOM 645 C LEU A 37 -8.254 1.459 8.582 1.00 0.00 C ATOM 646 O LEU A 37 -8.938 2.365 9.011 1.00 0.00 O ATOM 647 CB LEU A 37 -7.022 0.343 6.675 1.00 0.00 C ATOM 648 CG LEU A 37 -7.275 -1.135 6.322 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.410 -1.219 5.304 1.00 0.00 C ATOM 650 CD2 LEU A 37 -6.018 -1.748 5.689 1.00 0.00 C ATOM 0 H LEU A 37 -9.001 1.932 5.282 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.157 0.289 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.609 0.867 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.285 0.414 7.475 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.532 -1.676 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.594 -2.263 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.314 -0.784 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.133 -0.670 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.207 -2.793 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.765 -1.202 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.188 -1.685 6.393 1.00 0.00 H new ATOM 662 N SER A 38 -7.438 0.804 9.356 1.00 0.00 N ATOM 663 CA SER A 38 -7.297 1.150 10.794 1.00 0.00 C ATOM 664 C SER A 38 -6.723 -0.072 11.510 1.00 0.00 C ATOM 665 O SER A 38 -7.096 -1.193 11.233 1.00 0.00 O ATOM 666 CB SER A 38 -8.656 1.523 11.393 1.00 0.00 C ATOM 667 OG SER A 38 -8.769 0.960 12.692 1.00 0.00 O ATOM 0 H SER A 38 -6.852 0.029 9.046 1.00 0.00 H new ATOM 0 HA SER A 38 -6.636 2.009 10.912 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.758 2.607 11.444 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.460 1.157 10.755 1.00 0.00 H new ATOM 0 HG SER A 38 -9.638 1.199 13.078 1.00 0.00 H new ATOM 673 N ALA A 39 -5.802 0.139 12.404 1.00 0.00 N ATOM 674 CA ALA A 39 -5.165 -1.005 13.129 1.00 0.00 C ATOM 675 C ALA A 39 -6.128 -2.197 13.192 1.00 0.00 C ATOM 676 O ALA A 39 -5.823 -3.260 12.688 1.00 0.00 O ATOM 677 CB ALA A 39 -4.789 -0.566 14.546 1.00 0.00 C ATOM 0 H ALA A 39 -5.456 1.061 12.670 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.267 -1.310 12.592 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.325 -1.399 15.074 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.088 0.267 14.495 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.686 -0.253 15.080 1.00 0.00 H new ATOM 683 N PRO A 40 -7.268 -1.986 13.795 1.00 0.00 N ATOM 684 CA PRO A 40 -8.236 -3.093 13.866 1.00 0.00 C ATOM 685 C PRO A 40 -8.653 -3.553 12.472 1.00 0.00 C ATOM 686 O PRO A 40 -8.818 -4.729 12.215 1.00 0.00 O ATOM 687 CB PRO A 40 -9.421 -2.599 14.647 1.00 0.00 C ATOM 688 CG PRO A 40 -9.096 -1.175 15.010 1.00 0.00 C ATOM 689 CD PRO A 40 -7.628 -0.908 14.706 1.00 0.00 C ATOM 0 HA PRO A 40 -7.788 -3.957 14.356 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.333 -2.654 14.053 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.584 -3.204 15.539 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.728 -0.489 14.446 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -9.299 -1.000 16.066 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.485 0.070 14.247 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.021 -0.928 15.611 1.00 0.00 H new ATOM 697 N GLU A 41 -8.811 -2.631 11.566 1.00 0.00 N ATOM 698 CA GLU A 41 -9.201 -2.994 10.183 1.00 0.00 C ATOM 699 C GLU A 41 -7.957 -3.445 9.441 1.00 0.00 C ATOM 700 O GLU A 41 -7.922 -4.489 8.822 1.00 0.00 O ATOM 701 CB GLU A 41 -9.763 -1.758 9.496 1.00 0.00 C ATOM 702 CG GLU A 41 -11.258 -1.920 9.314 1.00 0.00 C ATOM 703 CD GLU A 41 -11.944 -1.942 10.680 1.00 0.00 C ATOM 704 OE1 GLU A 41 -11.882 -2.969 11.336 1.00 0.00 O ATOM 705 OE2 GLU A 41 -12.518 -0.931 11.050 1.00 0.00 O ATOM 0 H GLU A 41 -8.685 -1.632 11.729 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.947 -3.788 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.552 -0.870 10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.281 -1.615 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.652 -1.101 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.471 -2.843 8.775 1.00 0.00 H new ATOM 712 N ARG A 42 -6.929 -2.660 9.523 1.00 0.00 N ATOM 713 CA ARG A 42 -5.664 -3.020 8.854 1.00 0.00 C ATOM 714 C ARG A 42 -5.420 -4.509 9.076 1.00 0.00 C ATOM 715 O ARG A 42 -5.066 -5.240 8.173 1.00 0.00 O ATOM 716 CB ARG A 42 -4.530 -2.236 9.486 1.00 0.00 C ATOM 717 CG ARG A 42 -4.542 -0.752 9.097 1.00 0.00 C ATOM 718 CD ARG A 42 -3.444 -0.024 9.868 1.00 0.00 C ATOM 719 NE ARG A 42 -4.055 0.732 10.997 1.00 0.00 N ATOM 720 CZ ARG A 42 -3.312 1.141 11.989 1.00 0.00 C ATOM 721 NH1 ARG A 42 -2.037 0.862 12.008 1.00 0.00 N ATOM 722 NH2 ARG A 42 -3.846 1.827 12.961 1.00 0.00 N ATOM 0 H ARG A 42 -6.913 -1.776 10.031 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.717 -2.794 7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.595 -2.323 10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.579 -2.677 9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.383 -0.643 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.514 -0.312 9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.714 -0.739 10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.909 0.657 9.206 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.056 0.930 10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.621 0.324 11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.456 1.182 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.843 2.043 12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.267 2.147 13.737 1.00 0.00 H new ATOM 736 N GLU A 43 -5.619 -4.957 10.282 1.00 0.00 N ATOM 737 CA GLU A 43 -5.420 -6.393 10.598 1.00 0.00 C ATOM 738 C GLU A 43 -5.980 -7.249 9.457 1.00 0.00 C ATOM 739 O GLU A 43 -5.332 -8.155 8.972 1.00 0.00 O ATOM 740 CB GLU A 43 -6.163 -6.710 11.893 1.00 0.00 C ATOM 741 CG GLU A 43 -5.151 -6.926 13.020 1.00 0.00 C ATOM 742 CD GLU A 43 -4.478 -8.291 12.854 1.00 0.00 C ATOM 743 OE1 GLU A 43 -4.779 -8.965 11.882 1.00 0.00 O ATOM 744 OE2 GLU A 43 -3.671 -8.638 13.700 1.00 0.00 O ATOM 0 H GLU A 43 -5.915 -4.381 11.070 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.358 -6.610 10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.838 -5.893 12.147 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.776 -7.602 11.764 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.401 -6.135 13.005 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.652 -6.872 13.987 1.00 0.00 H new ATOM 751 N HIS A 44 -7.182 -6.967 9.022 1.00 0.00 N ATOM 752 CA HIS A 44 -7.778 -7.764 7.911 1.00 0.00 C ATOM 753 C HIS A 44 -6.807 -7.784 6.731 1.00 0.00 C ATOM 754 O HIS A 44 -6.532 -8.822 6.162 1.00 0.00 O ATOM 755 CB HIS A 44 -9.102 -7.134 7.476 1.00 0.00 C ATOM 756 CG HIS A 44 -10.250 -7.971 7.976 1.00 0.00 C ATOM 757 ND1 HIS A 44 -10.080 -8.983 8.907 1.00 0.00 N ATOM 758 CD2 HIS A 44 -11.592 -7.953 7.683 1.00 0.00 C ATOM 759 CE1 HIS A 44 -11.289 -9.527 9.141 1.00 0.00 C ATOM 760 NE2 HIS A 44 -12.245 -8.937 8.421 1.00 0.00 N ATOM 0 H HIS A 44 -7.774 -6.221 9.388 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.963 -8.783 8.251 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.180 -6.120 7.869 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.140 -7.059 6.389 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.068 -7.279 6.987 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.464 -10.342 9.828 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.240 -9.159 8.413 1.00 0.00 H new ATOM 768 N LEU A 45 -6.266 -6.652 6.369 1.00 0.00 N ATOM 769 CA LEU A 45 -5.296 -6.628 5.244 1.00 0.00 C ATOM 770 C LEU A 45 -4.067 -7.376 5.688 1.00 0.00 C ATOM 771 O LEU A 45 -3.658 -8.366 5.115 1.00 0.00 O ATOM 772 CB LEU A 45 -4.873 -5.175 4.939 1.00 0.00 C ATOM 773 CG LEU A 45 -3.722 -5.131 3.979 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.415 -5.533 4.703 1.00 0.00 C ATOM 775 CD2 LEU A 45 -4.144 -6.038 2.814 1.00 0.00 C ATOM 0 H LEU A 45 -6.454 -5.748 6.803 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.749 -7.072 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.718 -4.628 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.595 -4.673 5.866 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.499 -4.139 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.584 -5.499 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.225 -4.840 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.514 -6.544 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.353 -6.060 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.321 -7.048 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.058 -5.651 2.364 1.00 0.00 H new ATOM 787 N THR A 46 -3.460 -6.853 6.701 1.00 0.00 N ATOM 788 CA THR A 46 -2.219 -7.423 7.240 1.00 0.00 C ATOM 789 C THR A 46 -2.345 -8.941 7.340 1.00 0.00 C ATOM 790 O THR A 46 -1.369 -9.655 7.399 1.00 0.00 O ATOM 791 CB THR A 46 -2.039 -6.773 8.595 1.00 0.00 C ATOM 792 OG1 THR A 46 -3.304 -6.663 9.188 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.459 -5.381 8.409 1.00 0.00 C ATOM 0 H THR A 46 -3.789 -6.022 7.193 1.00 0.00 H new ATOM 0 HA THR A 46 -1.354 -7.234 6.605 1.00 0.00 H new ATOM 0 HB THR A 46 -1.369 -7.365 9.218 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.739 -7.541 9.196 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.327 -4.909 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.494 -5.453 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.139 -4.781 7.804 1.00 0.00 H new ATOM 801 N SER A 47 -3.540 -9.443 7.337 1.00 0.00 N ATOM 802 CA SER A 47 -3.714 -10.917 7.397 1.00 0.00 C ATOM 803 C SER A 47 -3.677 -11.491 5.974 1.00 0.00 C ATOM 804 O SER A 47 -3.367 -12.649 5.773 1.00 0.00 O ATOM 805 CB SER A 47 -5.044 -11.249 8.069 1.00 0.00 C ATOM 806 OG SER A 47 -5.212 -10.423 9.213 1.00 0.00 O ATOM 0 H SER A 47 -4.403 -8.901 7.296 1.00 0.00 H new ATOM 0 HA SER A 47 -2.907 -11.360 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.866 -11.094 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.066 -12.300 8.359 1.00 0.00 H new ATOM 0 HG SER A 47 -5.541 -9.543 8.935 1.00 0.00 H new ATOM 812 N LEU A 48 -3.998 -10.693 4.983 1.00 0.00 N ATOM 813 CA LEU A 48 -3.986 -11.210 3.577 1.00 0.00 C ATOM 814 C LEU A 48 -2.599 -11.073 2.956 1.00 0.00 C ATOM 815 O LEU A 48 -1.912 -12.041 2.697 1.00 0.00 O ATOM 816 CB LEU A 48 -4.945 -10.444 2.663 1.00 0.00 C ATOM 817 CG LEU A 48 -6.201 -10.047 3.387 1.00 0.00 C ATOM 818 CD1 LEU A 48 -7.282 -9.704 2.363 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.682 -11.184 4.288 1.00 0.00 C ATOM 0 H LEU A 48 -4.266 -9.714 5.085 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.292 -12.254 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.449 -9.553 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.200 -11.062 1.803 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.994 -9.178 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.196 -9.415 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.943 -8.878 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.480 -10.574 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.592 -10.879 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.887 -12.067 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.910 -11.419 5.021 1.00 0.00 H new ATOM 831 N ILE A 49 -2.223 -9.857 2.655 1.00 0.00 N ATOM 832 CA ILE A 49 -0.923 -9.608 1.977 1.00 0.00 C ATOM 833 C ILE A 49 0.159 -9.206 2.992 1.00 0.00 C ATOM 834 O ILE A 49 1.271 -8.868 2.638 1.00 0.00 O ATOM 835 CB ILE A 49 -1.134 -8.558 0.873 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.646 -7.180 1.262 1.00 0.00 C ATOM 837 CG2 ILE A 49 -2.613 -8.406 0.591 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.363 -6.735 2.516 1.00 0.00 C ATOM 0 H ILE A 49 -2.770 -9.019 2.854 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.561 -10.523 1.508 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.569 -8.917 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.431 -7.197 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.831 -6.474 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.760 -7.661 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.021 -9.362 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.125 -8.085 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.015 -5.742 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.436 -6.704 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.155 -7.438 3.323 1.00 0.00 H new ATOM 850 N ARG A 50 -0.145 -9.337 4.256 1.00 0.00 N ATOM 851 CA ARG A 50 0.853 -9.080 5.333 1.00 0.00 C ATOM 852 C ARG A 50 1.356 -7.637 5.412 1.00 0.00 C ATOM 853 O ARG A 50 1.871 -7.236 6.436 1.00 0.00 O ATOM 854 CB ARG A 50 2.024 -10.028 5.125 1.00 0.00 C ATOM 855 CG ARG A 50 1.499 -11.374 4.612 1.00 0.00 C ATOM 856 CD ARG A 50 2.124 -12.508 5.421 1.00 0.00 C ATOM 857 NE ARG A 50 3.552 -12.193 5.705 1.00 0.00 N ATOM 858 CZ ARG A 50 4.197 -12.872 6.612 1.00 0.00 C ATOM 859 NH1 ARG A 50 3.596 -13.839 7.250 1.00 0.00 N ATOM 860 NH2 ARG A 50 5.442 -12.588 6.881 1.00 0.00 N ATOM 0 H ARG A 50 -1.066 -9.618 4.594 1.00 0.00 H new ATOM 0 HA ARG A 50 0.348 -9.253 6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.729 -9.603 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.565 -10.168 6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.413 -11.409 4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.740 -11.491 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.579 -12.645 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.051 -13.445 4.869 1.00 0.00 H new ATOM 0 HE ARG A 50 4.024 -11.448 5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.623 -14.062 7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.099 -14.371 7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.912 -11.833 6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.945 -13.121 7.591 1.00 0.00 H new ATOM 874 N LEU A 51 1.238 -6.850 4.384 1.00 0.00 N ATOM 875 CA LEU A 51 1.749 -5.448 4.503 1.00 0.00 C ATOM 876 C LEU A 51 1.447 -4.933 5.911 1.00 0.00 C ATOM 877 O LEU A 51 0.348 -4.525 6.212 1.00 0.00 O ATOM 878 CB LEU A 51 1.118 -4.525 3.457 1.00 0.00 C ATOM 879 CG LEU A 51 2.090 -4.330 2.298 1.00 0.00 C ATOM 880 CD1 LEU A 51 1.369 -3.606 1.163 1.00 0.00 C ATOM 881 CD2 LEU A 51 3.286 -3.494 2.767 1.00 0.00 C ATOM 0 H LEU A 51 0.823 -7.101 3.487 1.00 0.00 H new ATOM 0 HA LEU A 51 2.824 -5.451 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.184 -4.954 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.873 -3.562 3.906 1.00 0.00 H new ATOM 0 HG LEU A 51 2.447 -5.298 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.056 -3.462 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.518 -4.202 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.017 -2.636 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.980 -3.355 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.936 -2.522 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.793 -4.010 3.582 1.00 0.00 H new ATOM 893 N THR A 52 2.424 -4.989 6.781 1.00 0.00 N ATOM 894 CA THR A 52 2.230 -4.546 8.196 1.00 0.00 C ATOM 895 C THR A 52 1.109 -3.510 8.309 1.00 0.00 C ATOM 896 O THR A 52 0.886 -2.735 7.403 1.00 0.00 O ATOM 897 CB THR A 52 3.520 -3.929 8.722 1.00 0.00 C ATOM 898 OG1 THR A 52 4.116 -3.138 7.703 1.00 0.00 O ATOM 899 CG2 THR A 52 4.484 -5.037 9.146 1.00 0.00 C ATOM 0 H THR A 52 3.362 -5.328 6.567 1.00 0.00 H new ATOM 0 HA THR A 52 1.958 -5.422 8.784 1.00 0.00 H new ATOM 0 HB THR A 52 3.297 -3.300 9.584 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.048 -3.414 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.406 -4.593 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.025 -5.638 9.931 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.710 -5.671 8.288 1.00 0.00 H new ATOM 907 N PRO A 53 0.443 -3.537 9.439 1.00 0.00 N ATOM 908 CA PRO A 53 -0.670 -2.585 9.663 1.00 0.00 C ATOM 909 C PRO A 53 -0.238 -1.136 9.444 1.00 0.00 C ATOM 910 O PRO A 53 -0.453 -0.575 8.390 1.00 0.00 O ATOM 911 CB PRO A 53 -1.112 -2.789 11.112 1.00 0.00 C ATOM 912 CG PRO A 53 -0.216 -3.881 11.720 1.00 0.00 C ATOM 913 CD PRO A 53 0.727 -4.381 10.619 1.00 0.00 C ATOM 0 HA PRO A 53 -1.477 -2.772 8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.020 -1.860 11.675 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.160 -3.085 11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.354 -3.484 12.560 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.822 -4.701 12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.769 -4.290 10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.550 -5.434 10.400 1.00 0.00 H new ATOM 921 N THR A 54 0.348 -0.510 10.426 1.00 0.00 N ATOM 922 CA THR A 54 0.751 0.899 10.245 1.00 0.00 C ATOM 923 C THR A 54 1.270 1.093 8.823 1.00 0.00 C ATOM 924 O THR A 54 0.783 1.929 8.089 1.00 0.00 O ATOM 925 CB THR A 54 1.831 1.249 11.258 1.00 0.00 C ATOM 926 OG1 THR A 54 1.286 1.185 12.568 1.00 0.00 O ATOM 927 CG2 THR A 54 2.329 2.660 10.978 1.00 0.00 C ATOM 0 H THR A 54 0.561 -0.915 11.337 1.00 0.00 H new ATOM 0 HA THR A 54 -0.104 1.556 10.403 1.00 0.00 H new ATOM 0 HB THR A 54 2.659 0.545 11.180 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.980 1.408 13.222 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.104 2.922 11.698 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.740 2.707 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.500 3.362 11.065 1.00 0.00 H new ATOM 935 N GLN A 55 2.233 0.316 8.411 1.00 0.00 N ATOM 936 CA GLN A 55 2.744 0.463 7.022 1.00 0.00 C ATOM 937 C GLN A 55 1.548 0.527 6.074 1.00 0.00 C ATOM 938 O GLN A 55 1.559 1.248 5.094 1.00 0.00 O ATOM 939 CB GLN A 55 3.623 -0.734 6.661 1.00 0.00 C ATOM 940 CG GLN A 55 4.358 -0.445 5.350 1.00 0.00 C ATOM 941 CD GLN A 55 5.517 -1.428 5.184 1.00 0.00 C ATOM 942 OE1 GLN A 55 5.837 -2.167 6.094 1.00 0.00 O ATOM 943 NE2 GLN A 55 6.165 -1.469 4.052 1.00 0.00 N ATOM 0 H GLN A 55 2.684 -0.408 8.971 1.00 0.00 H new ATOM 0 HA GLN A 55 3.340 1.372 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.340 -0.927 7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.012 -1.631 6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.670 -0.533 4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.733 0.578 5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.897 -0.849 3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.940 -2.121 3.931 1.00 0.00 H new ATOM 952 N VAL A 56 0.508 -0.211 6.364 1.00 0.00 N ATOM 953 CA VAL A 56 -0.692 -0.175 5.483 1.00 0.00 C ATOM 954 C VAL A 56 -1.306 1.221 5.547 1.00 0.00 C ATOM 955 O VAL A 56 -1.532 1.859 4.540 1.00 0.00 O ATOM 956 CB VAL A 56 -1.742 -1.192 5.954 1.00 0.00 C ATOM 957 CG1 VAL A 56 -2.962 -1.087 5.045 1.00 0.00 C ATOM 958 CG2 VAL A 56 -1.177 -2.612 5.881 1.00 0.00 C ATOM 0 H VAL A 56 0.440 -0.833 7.169 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.389 -0.422 4.466 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.017 -0.978 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.718 -1.804 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.371 -0.078 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.670 -1.304 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.932 -3.322 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.898 -2.840 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.298 -2.687 6.521 1.00 0.00 H new ATOM 968 N LYS A 57 -1.577 1.694 6.731 1.00 0.00 N ATOM 969 CA LYS A 57 -2.183 3.039 6.887 1.00 0.00 C ATOM 970 C LYS A 57 -1.279 4.097 6.256 1.00 0.00 C ATOM 971 O LYS A 57 -1.731 4.971 5.544 1.00 0.00 O ATOM 972 CB LYS A 57 -2.347 3.324 8.373 1.00 0.00 C ATOM 973 CG LYS A 57 -2.593 4.814 8.608 1.00 0.00 C ATOM 974 CD LYS A 57 -3.007 5.027 10.067 1.00 0.00 C ATOM 975 CE LYS A 57 -2.205 4.086 10.974 1.00 0.00 C ATOM 976 NZ LYS A 57 -2.496 4.408 12.401 1.00 0.00 N ATOM 0 H LYS A 57 -1.401 1.198 7.605 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.152 3.068 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.180 2.745 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.453 3.008 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.691 5.384 8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.373 5.177 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.833 6.063 10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.074 4.838 10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.466 3.049 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.139 4.193 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.979 3.749 13.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.195 5.382 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.517 4.318 12.576 1.00 0.00 H new ATOM 990 N ILE A 58 -0.002 4.028 6.513 1.00 0.00 N ATOM 991 CA ILE A 58 0.926 5.034 5.930 1.00 0.00 C ATOM 992 C ILE A 58 0.774 5.029 4.406 1.00 0.00 C ATOM 993 O ILE A 58 0.894 6.049 3.758 1.00 0.00 O ATOM 994 CB ILE A 58 2.369 4.692 6.313 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.490 4.548 7.838 1.00 0.00 C ATOM 996 CG2 ILE A 58 3.304 5.804 5.835 1.00 0.00 C ATOM 997 CD1 ILE A 58 1.516 5.497 8.545 1.00 0.00 C ATOM 0 H ILE A 58 0.437 3.319 7.101 1.00 0.00 H new ATOM 0 HA ILE A 58 0.686 6.024 6.317 1.00 0.00 H new ATOM 0 HB ILE A 58 2.646 3.750 5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.281 3.519 8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.511 4.767 8.150 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.330 5.559 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.230 5.901 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.019 6.746 6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.615 5.382 9.624 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.744 6.526 8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.495 5.259 8.247 1.00 0.00 H new ATOM 1009 N TRP A 59 0.496 3.888 3.829 1.00 0.00 N ATOM 1010 CA TRP A 59 0.319 3.824 2.349 1.00 0.00 C ATOM 1011 C TRP A 59 -0.973 4.558 1.977 1.00 0.00 C ATOM 1012 O TRP A 59 -0.997 5.382 1.084 1.00 0.00 O ATOM 1013 CB TRP A 59 0.220 2.361 1.908 1.00 0.00 C ATOM 1014 CG TRP A 59 -0.274 2.298 0.496 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.513 2.252 -0.604 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.649 2.271 0.016 1.00 0.00 C ATOM 1017 NE1 TRP A 59 -0.293 2.200 -1.728 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.634 2.209 -1.396 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -2.894 2.295 0.666 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -2.816 2.173 -2.139 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -4.085 2.260 -0.076 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -4.047 2.197 -1.476 1.00 0.00 C ATOM 0 H TRP A 59 0.384 3.000 4.318 1.00 0.00 H new ATOM 0 HA TRP A 59 1.169 4.291 1.852 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.195 1.880 1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.457 1.817 2.566 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.593 2.255 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.060 2.160 -2.684 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.935 2.341 1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.780 2.127 -3.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.036 2.282 0.435 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.967 2.167 -2.041 1.00 0.00 H new ATOM 1033 N PHE A 60 -2.046 4.266 2.663 1.00 0.00 N ATOM 1034 CA PHE A 60 -3.339 4.947 2.359 1.00 0.00 C ATOM 1035 C PHE A 60 -3.088 6.441 2.144 1.00 0.00 C ATOM 1036 O PHE A 60 -3.501 7.013 1.155 1.00 0.00 O ATOM 1037 CB PHE A 60 -4.300 4.767 3.537 1.00 0.00 C ATOM 1038 CG PHE A 60 -5.139 3.530 3.325 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -4.580 2.266 3.533 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -6.476 3.647 2.927 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -5.352 1.118 3.341 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -7.251 2.497 2.737 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.687 1.231 2.943 1.00 0.00 C ATOM 0 H PHE A 60 -2.083 3.585 3.421 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.774 4.512 1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.738 4.682 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.943 5.642 3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.549 2.177 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.909 4.623 2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.917 0.142 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.283 2.585 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.284 0.343 2.794 1.00 0.00 H new ATOM 1053 N GLN A 61 -2.421 7.074 3.071 1.00 0.00 N ATOM 1054 CA GLN A 61 -2.140 8.534 2.938 1.00 0.00 C ATOM 1055 C GLN A 61 -1.982 8.898 1.460 1.00 0.00 C ATOM 1056 O GLN A 61 -2.587 9.832 0.974 1.00 0.00 O ATOM 1057 CB GLN A 61 -0.850 8.869 3.690 1.00 0.00 C ATOM 1058 CG GLN A 61 -0.754 10.381 3.916 1.00 0.00 C ATOM 1059 CD GLN A 61 -0.171 10.653 5.304 1.00 0.00 C ATOM 1060 OE1 GLN A 61 -0.617 10.089 6.284 1.00 0.00 O ATOM 1061 NE2 GLN A 61 0.815 11.498 5.432 1.00 0.00 N ATOM 0 H GLN A 61 -2.056 6.641 3.919 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.968 9.104 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.831 8.348 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.013 8.522 3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.125 10.835 3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.741 10.836 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.190 11.972 4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.210 11.684 6.354 1.00 0.00 H new ATOM 1070 N ASN A 62 -1.174 8.167 0.742 1.00 0.00 N ATOM 1071 CA ASN A 62 -0.979 8.473 -0.704 1.00 0.00 C ATOM 1072 C ASN A 62 -2.309 8.310 -1.445 1.00 0.00 C ATOM 1073 O ASN A 62 -3.021 9.267 -1.677 1.00 0.00 O ATOM 1074 CB ASN A 62 0.057 7.516 -1.296 1.00 0.00 C ATOM 1075 CG ASN A 62 0.029 7.616 -2.822 1.00 0.00 C ATOM 1076 OD1 ASN A 62 -0.512 8.554 -3.373 1.00 0.00 O ATOM 1077 ND2 ASN A 62 0.595 6.680 -3.536 1.00 0.00 N ATOM 0 H ASN A 62 -0.641 7.372 1.094 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.627 9.499 -0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.051 7.763 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.156 6.494 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.582 6.737 -4.554 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.050 5.892 -3.075 1.00 0.00 H new ATOM 1084 N HIS A 63 -2.651 7.105 -1.819 1.00 0.00 N ATOM 1085 CA HIS A 63 -3.935 6.890 -2.545 1.00 0.00 C ATOM 1086 C HIS A 63 -5.031 7.734 -1.894 1.00 0.00 C ATOM 1087 O HIS A 63 -5.797 8.394 -2.564 1.00 0.00 O ATOM 1088 CB HIS A 63 -4.327 5.411 -2.476 1.00 0.00 C ATOM 1089 CG HIS A 63 -4.127 4.775 -3.823 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -2.930 4.873 -4.517 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -4.962 4.032 -4.621 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -3.076 4.207 -5.676 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -4.297 3.675 -5.790 1.00 0.00 N ATOM 0 H HIS A 63 -2.098 6.264 -1.653 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.814 7.183 -3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.723 4.899 -1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.368 5.314 -2.167 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.980 3.765 -4.378 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.302 4.113 -6.423 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.663 3.125 -6.567 1.00 0.00 H new ATOM 1101 N ARG A 64 -5.109 7.712 -0.593 1.00 0.00 N ATOM 1102 CA ARG A 64 -6.153 8.509 0.109 1.00 0.00 C ATOM 1103 C ARG A 64 -6.435 9.795 -0.673 1.00 0.00 C ATOM 1104 O ARG A 64 -7.546 10.044 -1.089 1.00 0.00 O ATOM 1105 CB ARG A 64 -5.660 8.859 1.514 1.00 0.00 C ATOM 1106 CG ARG A 64 -6.809 9.465 2.324 1.00 0.00 C ATOM 1107 CD ARG A 64 -7.032 10.922 1.904 1.00 0.00 C ATOM 1108 NE ARG A 64 -7.089 11.793 3.116 1.00 0.00 N ATOM 1109 CZ ARG A 64 -7.751 11.415 4.178 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -8.450 10.314 4.159 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -7.737 12.156 5.252 1.00 0.00 N ATOM 0 H ARG A 64 -4.493 7.174 0.016 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.071 7.925 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.283 7.965 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.831 9.565 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.720 8.888 2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.581 9.415 3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.226 11.249 1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.959 11.009 1.338 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.607 12.692 3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.481 9.744 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.965 10.023 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.210 13.029 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.253 11.862 6.081 1.00 0.00 H new ATOM 1125 N TYR A 65 -5.439 10.618 -0.868 1.00 0.00 N ATOM 1126 CA TYR A 65 -5.655 11.892 -1.617 1.00 0.00 C ATOM 1127 C TYR A 65 -5.978 11.593 -3.086 1.00 0.00 C ATOM 1128 O TYR A 65 -6.877 12.168 -3.656 1.00 0.00 O ATOM 1129 CB TYR A 65 -4.391 12.755 -1.526 1.00 0.00 C ATOM 1130 CG TYR A 65 -3.495 12.486 -2.713 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -3.835 12.990 -3.974 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -2.323 11.736 -2.552 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -3.005 12.743 -5.074 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -1.493 11.490 -3.651 1.00 0.00 C ATOM 1135 CZ TYR A 65 -1.833 11.993 -4.913 1.00 0.00 C ATOM 1136 OH TYR A 65 -1.015 11.752 -5.998 1.00 0.00 O ATOM 0 H TYR A 65 -4.485 10.464 -0.541 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.495 12.429 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.663 13.810 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.858 12.537 -0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.738 13.570 -4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.060 11.348 -1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.268 13.131 -6.047 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.589 10.912 -3.526 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.244 11.218 -5.714 1.00 0.00 H new ATOM 1146 N LYS A 66 -5.251 10.712 -3.711 1.00 0.00 N ATOM 1147 CA LYS A 66 -5.539 10.406 -5.143 1.00 0.00 C ATOM 1148 C LYS A 66 -6.786 9.518 -5.242 1.00 0.00 C ATOM 1149 O LYS A 66 -7.296 9.272 -6.316 1.00 0.00 O ATOM 1150 CB LYS A 66 -4.336 9.682 -5.755 1.00 0.00 C ATOM 1151 CG LYS A 66 -4.625 9.345 -7.218 1.00 0.00 C ATOM 1152 CD LYS A 66 -3.356 8.797 -7.878 1.00 0.00 C ATOM 1153 CE LYS A 66 -3.625 7.387 -8.406 1.00 0.00 C ATOM 1154 NZ LYS A 66 -2.348 6.782 -8.879 1.00 0.00 N ATOM 0 H LYS A 66 -4.476 10.193 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.720 11.334 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.448 10.310 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.126 8.770 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.427 8.609 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.967 10.235 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.047 9.450 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.538 8.777 -7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.063 6.771 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.347 7.424 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.530 5.823 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.948 7.367 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.673 6.733 -8.089 1.00 0.00 H new ATOM 1168 N THR A 67 -7.290 9.044 -4.133 1.00 0.00 N ATOM 1169 CA THR A 67 -8.506 8.187 -4.175 1.00 0.00 C ATOM 1170 C THR A 67 -9.750 9.079 -4.136 1.00 0.00 C ATOM 1171 O THR A 67 -10.801 8.719 -4.629 1.00 0.00 O ATOM 1172 CB THR A 67 -8.508 7.239 -2.974 1.00 0.00 C ATOM 1173 OG1 THR A 67 -7.974 7.910 -1.841 1.00 0.00 O ATOM 1174 CG2 THR A 67 -7.652 6.015 -3.296 1.00 0.00 C ATOM 0 H THR A 67 -6.911 9.214 -3.202 1.00 0.00 H new ATOM 0 HA THR A 67 -8.510 7.598 -5.092 1.00 0.00 H new ATOM 0 HB THR A 67 -9.528 6.923 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.198 8.863 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.651 5.337 -2.443 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.063 5.503 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.631 6.331 -3.510 1.00 0.00 H new ATOM 1182 N LYS A 68 -9.632 10.247 -3.566 1.00 0.00 N ATOM 1183 CA LYS A 68 -10.800 11.170 -3.509 1.00 0.00 C ATOM 1184 C LYS A 68 -10.895 11.912 -4.835 1.00 0.00 C ATOM 1185 O LYS A 68 -11.959 12.289 -5.287 1.00 0.00 O ATOM 1186 CB LYS A 68 -10.618 12.166 -2.392 1.00 0.00 C ATOM 1187 CG LYS A 68 -9.181 12.507 -2.425 1.00 0.00 C ATOM 1188 CD LYS A 68 -8.892 13.740 -1.568 1.00 0.00 C ATOM 1189 CE LYS A 68 -7.940 14.674 -2.318 1.00 0.00 C ATOM 1190 NZ LYS A 68 -7.759 15.932 -1.540 1.00 0.00 N ATOM 0 H LYS A 68 -8.777 10.602 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.710 10.599 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.238 13.049 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.902 11.739 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.595 11.662 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.871 12.693 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.821 14.261 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.450 13.440 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.977 14.185 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.340 14.900 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.112 16.566 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.679 16.401 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.359 15.708 -0.606 1.00 0.00 H new ATOM 1204 N ARG A 69 -9.769 12.116 -5.459 1.00 0.00 N ATOM 1205 CA ARG A 69 -9.737 12.824 -6.763 1.00 0.00 C ATOM 1206 C ARG A 69 -10.428 11.963 -7.820 1.00 0.00 C ATOM 1207 O ARG A 69 -10.996 12.461 -8.772 1.00 0.00 O ATOM 1208 CB ARG A 69 -8.277 13.065 -7.142 1.00 0.00 C ATOM 1209 CG ARG A 69 -7.699 11.822 -7.824 1.00 0.00 C ATOM 1210 CD ARG A 69 -7.915 11.926 -9.331 1.00 0.00 C ATOM 1211 NE ARG A 69 -8.468 10.645 -9.869 1.00 0.00 N ATOM 1212 CZ ARG A 69 -8.004 9.491 -9.474 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -7.012 9.426 -8.631 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -8.528 8.391 -9.942 1.00 0.00 N ATOM 0 H ARG A 69 -8.857 11.817 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.259 13.779 -6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.203 13.923 -7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.696 13.304 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.635 11.734 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.181 10.924 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.599 12.745 -9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.971 12.158 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.221 10.674 -10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.590 10.283 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.658 8.518 -8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.295 8.437 -10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.170 7.486 -9.637 1.00 0.00 H new ATOM 1228 N ALA A 70 -10.388 10.674 -7.646 1.00 0.00 N ATOM 1229 CA ALA A 70 -11.045 9.760 -8.622 1.00 0.00 C ATOM 1230 C ALA A 70 -12.507 10.175 -8.799 1.00 0.00 C ATOM 1231 O ALA A 70 -12.991 10.330 -9.902 1.00 0.00 O ATOM 1232 CB ALA A 70 -10.989 8.325 -8.091 1.00 0.00 C ATOM 0 H ALA A 70 -9.926 10.209 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.528 9.817 -9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.469 7.654 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.949 8.027 -7.956 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.509 8.270 -7.134 1.00 0.00 H new ATOM 1238 N GLN A 71 -13.212 10.351 -7.716 1.00 0.00 N ATOM 1239 CA GLN A 71 -14.643 10.753 -7.810 1.00 0.00 C ATOM 1240 C GLN A 71 -14.807 11.825 -8.888 1.00 0.00 C ATOM 1241 O GLN A 71 -15.520 11.644 -9.855 1.00 0.00 O ATOM 1242 CB GLN A 71 -15.096 11.317 -6.461 1.00 0.00 C ATOM 1243 CG GLN A 71 -16.000 10.300 -5.760 1.00 0.00 C ATOM 1244 CD GLN A 71 -17.418 10.409 -6.322 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -17.694 9.928 -7.404 1.00 0.00 O ATOM 1246 NE2 GLN A 71 -18.336 11.024 -5.628 1.00 0.00 N ATOM 0 H GLN A 71 -12.857 10.233 -6.767 1.00 0.00 H new ATOM 0 HA GLN A 71 -15.249 9.885 -8.070 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.229 11.539 -5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.632 12.255 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.615 9.291 -5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.008 10.483 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -18.104 11.427 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -19.285 11.101 -5.993 1.00 0.00 H new ATOM 1255 N ASN A 72 -14.156 12.944 -8.728 1.00 0.00 N ATOM 1256 CA ASN A 72 -14.277 14.030 -9.740 1.00 0.00 C ATOM 1257 C ASN A 72 -14.266 13.431 -11.148 1.00 0.00 C ATOM 1258 O ASN A 72 -15.055 13.799 -11.995 1.00 0.00 O ATOM 1259 CB ASN A 72 -13.101 14.998 -9.590 1.00 0.00 C ATOM 1260 CG ASN A 72 -13.096 15.983 -10.759 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -14.074 16.105 -11.470 1.00 0.00 O ATOM 1262 ND2 ASN A 72 -12.029 16.697 -10.991 1.00 0.00 N ATOM 0 H ASN A 72 -13.545 13.153 -7.939 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.214 14.564 -9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.179 15.538 -8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.162 14.445 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.016 17.357 -11.769 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.208 16.595 -10.395 1.00 0.00 H new ATOM 1269 N GLU A 73 -13.395 12.491 -11.399 1.00 0.00 N ATOM 1270 CA GLU A 73 -13.355 11.850 -12.741 1.00 0.00 C ATOM 1271 C GLU A 73 -14.340 10.700 -12.708 1.00 0.00 C ATOM 1272 O GLU A 73 -14.084 9.622 -13.207 1.00 0.00 O ATOM 1273 CB GLU A 73 -11.946 11.324 -13.027 1.00 0.00 C ATOM 1274 CG GLU A 73 -11.073 12.465 -13.555 1.00 0.00 C ATOM 1275 CD GLU A 73 -9.607 12.185 -13.217 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -9.153 11.090 -13.502 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -8.965 13.072 -12.679 1.00 0.00 O ATOM 0 H GLU A 73 -12.709 12.140 -10.730 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.613 12.564 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.510 10.909 -12.118 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.989 10.517 -13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.196 12.562 -14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.385 13.411 -13.112 1.00 0.00 H new ATOM 1284 N LYS A 74 -15.445 10.908 -12.062 1.00 0.00 N ATOM 1285 CA LYS A 74 -16.427 9.815 -11.923 1.00 0.00 C ATOM 1286 C LYS A 74 -17.849 10.382 -11.874 1.00 0.00 C ATOM 1287 O LYS A 74 -18.778 9.796 -12.391 1.00 0.00 O ATOM 1288 CB LYS A 74 -16.096 9.102 -10.617 1.00 0.00 C ATOM 1289 CG LYS A 74 -15.964 7.599 -10.869 1.00 0.00 C ATOM 1290 CD LYS A 74 -14.640 7.309 -11.578 1.00 0.00 C ATOM 1291 CE LYS A 74 -14.227 5.860 -11.316 1.00 0.00 C ATOM 1292 NZ LYS A 74 -12.812 5.662 -11.741 1.00 0.00 N ATOM 0 H LYS A 74 -15.709 11.791 -11.624 1.00 0.00 H new ATOM 0 HA LYS A 74 -16.378 9.130 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -15.167 9.494 -10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.878 9.290 -9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.008 7.057 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.798 7.248 -11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.744 7.481 -12.649 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.867 7.989 -11.220 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.336 5.625 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.881 5.180 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.531 4.677 -11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.722 5.870 -12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.195 6.301 -11.201 1.00 0.00 H new ATOM 1306 N GLY A 75 -18.027 11.519 -11.257 1.00 0.00 N ATOM 1307 CA GLY A 75 -19.391 12.117 -11.180 1.00 0.00 C ATOM 1308 C GLY A 75 -19.916 12.375 -12.594 1.00 0.00 C ATOM 1309 O GLY A 75 -20.679 11.600 -13.135 1.00 0.00 O ATOM 0 H GLY A 75 -17.289 12.058 -10.804 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.064 11.445 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -19.360 13.050 -10.617 1.00 0.00 H new ATOM 1313 N TYR A 76 -19.510 13.459 -13.198 1.00 0.00 N ATOM 1314 CA TYR A 76 -19.984 13.768 -14.578 1.00 0.00 C ATOM 1315 C TYR A 76 -18.898 14.547 -15.322 1.00 0.00 C ATOM 1316 O TYR A 76 -19.179 15.361 -16.179 1.00 0.00 O ATOM 1317 CB TYR A 76 -21.260 14.611 -14.502 1.00 0.00 C ATOM 1318 CG TYR A 76 -22.465 13.711 -14.638 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -22.906 12.961 -13.541 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -23.142 13.627 -15.860 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -24.023 12.126 -13.667 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -24.260 12.793 -15.987 1.00 0.00 C ATOM 1323 CZ TYR A 76 -24.699 12.043 -14.890 1.00 0.00 C ATOM 1324 OH TYR A 76 -25.801 11.219 -15.014 1.00 0.00 O ATOM 0 H TYR A 76 -18.870 14.144 -12.796 1.00 0.00 H new ATOM 0 HA TYR A 76 -20.196 12.840 -15.110 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -21.298 15.148 -13.554 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -21.261 15.361 -15.293 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -22.385 13.027 -12.597 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -22.802 14.206 -16.706 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -24.363 11.546 -12.821 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -24.783 12.729 -16.930 1.00 0.00 H new ATOM 0 HH TYR A 76 -26.153 11.279 -15.927 1.00 0.00 H new ATOM 1334 N GLU A 77 -17.655 14.303 -14.998 1.00 0.00 N ATOM 1335 CA GLU A 77 -16.547 15.029 -15.681 1.00 0.00 C ATOM 1336 C GLU A 77 -16.627 16.519 -15.344 1.00 0.00 C ATOM 1337 O GLU A 77 -15.907 17.013 -14.500 1.00 0.00 O ATOM 1338 CB GLU A 77 -16.663 14.839 -17.197 1.00 0.00 C ATOM 1339 CG GLU A 77 -15.482 14.005 -17.700 1.00 0.00 C ATOM 1340 CD GLU A 77 -15.658 12.551 -17.259 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -16.753 12.206 -16.848 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -14.694 11.807 -17.338 1.00 0.00 O ATOM 0 H GLU A 77 -17.360 13.631 -14.289 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.591 14.631 -15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.602 14.343 -17.441 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.676 15.808 -17.696 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.420 14.061 -18.787 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.547 14.405 -17.307 1.00 0.00 H new ATOM 1349 N GLY A 78 -17.499 17.240 -15.994 1.00 0.00 N ATOM 1350 CA GLY A 78 -17.624 18.697 -15.705 1.00 0.00 C ATOM 1351 C GLY A 78 -17.199 19.502 -16.934 1.00 0.00 C ATOM 1352 O GLY A 78 -16.027 19.640 -17.223 1.00 0.00 O ATOM 0 H GLY A 78 -18.130 16.884 -16.712 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -18.653 18.938 -15.438 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.002 18.963 -14.850 1.00 0.00 H new ATOM 1356 N HIS A 79 -18.142 20.039 -17.660 1.00 0.00 N ATOM 1357 CA HIS A 79 -17.788 20.835 -18.867 1.00 0.00 C ATOM 1358 C HIS A 79 -16.580 20.201 -19.559 1.00 0.00 C ATOM 1359 O HIS A 79 -15.449 20.479 -19.213 1.00 0.00 O ATOM 1360 CB HIS A 79 -17.444 22.267 -18.451 1.00 0.00 C ATOM 1361 CG HIS A 79 -18.712 23.027 -18.171 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -18.875 23.800 -17.032 1.00 0.00 N ATOM 1363 CD2 HIS A 79 -19.885 23.143 -18.874 1.00 0.00 C ATOM 1364 CE1 HIS A 79 -20.105 24.343 -17.083 1.00 0.00 C ATOM 1365 NE2 HIS A 79 -20.763 23.975 -18.185 1.00 0.00 N ATOM 0 H HIS A 79 -19.141 19.960 -17.469 1.00 0.00 H new ATOM 0 HA HIS A 79 -18.634 20.850 -19.554 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.810 22.257 -17.564 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.879 22.761 -19.241 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -20.095 22.662 -19.818 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -20.511 24.997 -16.325 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -21.707 24.245 -18.462 1.00 0.00 H new ATOM 1373 N PRO A 80 -16.866 19.366 -20.519 1.00 0.00 N ATOM 1374 CA PRO A 80 -15.763 18.701 -21.248 1.00 0.00 C ATOM 1375 C PRO A 80 -15.229 19.623 -22.347 1.00 0.00 C ATOM 1376 O PRO A 80 -14.237 19.268 -22.961 1.00 0.00 O ATOM 1377 CB PRO A 80 -16.375 17.436 -21.859 1.00 0.00 C ATOM 1378 CG PRO A 80 -17.861 17.386 -21.442 1.00 0.00 C ATOM 1379 CD PRO A 80 -18.146 18.632 -20.595 1.00 0.00 C ATOM 1380 OXT PRO A 80 -15.821 20.669 -22.555 1.00 0.00 O ATOM 0 HA PRO A 80 -14.926 18.463 -20.592 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -16.283 17.452 -22.945 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.849 16.548 -21.508 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -18.505 17.365 -22.321 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.069 16.480 -20.873 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -18.923 19.246 -21.051 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -18.499 18.357 -19.601 1.00 0.00 H new TER 1388 PRO A 80