USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.065) USER MOD Set 2.1: A 29 MET CE :methyl -141:sc= -2.82 (180deg=-3.9!) USER MOD Set 2.2: A 70 SER OG : rot 46:sc= 0.606 USER MOD Set 3.1: A 22 THR OG1 : rot 52:sc= -0.0211 USER MOD Set 3.2: A 26 MET CE :methyl 136:sc= -0.3 (180deg=-1.2) USER MOD Set 4.1: A 8 CYS SG : rot -11:sc= -4.21! USER MOD Set 4.2: A 68 TYR OH : rot 122:sc= -5.41! USER MOD Single : A 1 MET CE :methyl -158:sc= -10.9! (180deg=-13!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.0622 X(o=0.062,f=-0.13) USER MOD Single : A -1 SER OG : rot 180:sc= 0.181 USER MOD Single : A -5 GLY N :NH3+ -163:sc= 0 (180deg=-0.537) USER MOD Single : A 11 GLN : amide:sc= -1.71! K(o=-1.7!,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= 1.23 (180deg=-0.786) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc=-0.00163 (180deg=-0.0931) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -81:sc= 1.22 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.09! K(o=-1.1!,f=-0.047) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 GLN : amide:sc= -3.67! K(o=-3.7!,f=-0.95) USER MOD Single : A 51 GLN : amide:sc= -0.596 K(o=-0.6,f=-0.037) USER MOD Single : A 55 MET CE :methyl -121:sc= 0 (180deg=-0.995) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -158:sc= -11.4! (180deg=-13.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0462 K(o=-0.046,f=-0.72) USER MOD Single : A 67 SER OG : rot -80:sc= -0.051 USER MOD Single : A 73 ASN : amide:sc= 0.572 K(o=0.57,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 9.137 -13.661 -18.498 1.00 0.00 N ATOM 2 CA GLY A -5 9.172 -15.109 -18.158 1.00 0.00 C ATOM 3 C GLY A -5 8.222 -15.452 -17.025 1.00 0.00 C ATOM 4 O GLY A -5 7.086 -14.975 -16.997 1.00 0.00 O ATOM 0 H1 GLY A -5 9.562 -13.514 -19.436 1.00 0.00 H new ATOM 0 H2 GLY A -5 8.151 -13.331 -18.509 1.00 0.00 H new ATOM 0 H3 GLY A -5 9.674 -13.124 -17.787 1.00 0.00 H new ATOM 0 HA2 GLY A -5 8.911 -15.694 -19.040 1.00 0.00 H new ATOM 0 HA3 GLY A -5 10.187 -15.391 -17.878 1.00 0.00 H new ATOM 10 N PRO A -4 8.653 -16.278 -16.062 1.00 0.00 N ATOM 11 CA PRO A -4 7.819 -16.660 -14.926 1.00 0.00 C ATOM 12 C PRO A -4 7.840 -15.596 -13.824 1.00 0.00 C ATOM 13 O PRO A -4 8.483 -15.767 -12.788 1.00 0.00 O ATOM 14 CB PRO A -4 8.469 -17.960 -14.448 1.00 0.00 C ATOM 15 CG PRO A -4 9.911 -17.824 -14.805 1.00 0.00 C ATOM 16 CD PRO A -4 9.988 -16.901 -16.002 1.00 0.00 C ATOM 0 HA PRO A -4 6.767 -16.771 -15.190 1.00 0.00 H new ATOM 0 HB2 PRO A -4 8.339 -18.095 -13.374 1.00 0.00 H new ATOM 0 HB3 PRO A -4 8.022 -18.827 -14.934 1.00 0.00 H new ATOM 0 HG2 PRO A -4 10.478 -17.417 -13.968 1.00 0.00 H new ATOM 0 HG3 PRO A -4 10.343 -18.797 -15.040 1.00 0.00 H new ATOM 0 HD2 PRO A -4 10.772 -16.153 -15.879 1.00 0.00 H new ATOM 0 HD3 PRO A -4 10.213 -17.451 -16.916 1.00 0.00 H new ATOM 24 N LEU A -3 7.151 -14.489 -14.067 1.00 0.00 N ATOM 25 CA LEU A -3 7.096 -13.386 -13.108 1.00 0.00 C ATOM 26 C LEU A -3 5.968 -13.576 -12.102 1.00 0.00 C ATOM 27 O LEU A -3 4.846 -13.936 -12.468 1.00 0.00 O ATOM 28 CB LEU A -3 6.920 -12.048 -13.838 1.00 0.00 C ATOM 29 CG LEU A -3 8.211 -11.378 -14.337 1.00 0.00 C ATOM 30 CD1 LEU A -3 8.937 -12.259 -15.339 1.00 0.00 C ATOM 31 CD2 LEU A -3 7.895 -10.023 -14.950 1.00 0.00 C ATOM 0 H LEU A -3 6.619 -14.328 -14.922 1.00 0.00 H new ATOM 0 HA LEU A -3 8.040 -13.378 -12.564 1.00 0.00 H new ATOM 0 HB2 LEU A -3 6.263 -12.207 -14.693 1.00 0.00 H new ATOM 0 HB3 LEU A -3 6.410 -11.356 -13.168 1.00 0.00 H new ATOM 0 HG LEU A -3 8.871 -11.234 -13.481 1.00 0.00 H new ATOM 0 HD11 LEU A -3 9.845 -11.758 -15.673 1.00 0.00 H new ATOM 0 HD12 LEU A -3 9.198 -13.207 -14.868 1.00 0.00 H new ATOM 0 HD13 LEU A -3 8.289 -12.445 -16.196 1.00 0.00 H new ATOM 0 HD21 LEU A -3 8.817 -9.558 -15.300 1.00 0.00 H new ATOM 0 HD22 LEU A -3 7.213 -10.154 -15.790 1.00 0.00 H new ATOM 0 HD23 LEU A -3 7.428 -9.384 -14.200 1.00 0.00 H new ATOM 43 N GLY A -2 6.268 -13.319 -10.836 1.00 0.00 N ATOM 44 CA GLY A -2 5.274 -13.454 -9.792 1.00 0.00 C ATOM 45 C GLY A -2 5.215 -12.228 -8.907 1.00 0.00 C ATOM 46 O GLY A -2 4.487 -12.204 -7.912 1.00 0.00 O ATOM 0 H GLY A -2 7.187 -13.018 -10.513 1.00 0.00 H new ATOM 0 HA2 GLY A -2 4.296 -13.624 -10.242 1.00 0.00 H new ATOM 0 HA3 GLY A -2 5.502 -14.330 -9.184 1.00 0.00 H new ATOM 50 N SER A -1 5.979 -11.202 -9.268 1.00 0.00 N ATOM 51 CA SER A -1 6.006 -9.966 -8.498 1.00 0.00 C ATOM 52 C SER A -1 5.517 -8.794 -9.360 1.00 0.00 C ATOM 53 O SER A -1 4.534 -8.916 -10.088 1.00 0.00 O ATOM 54 CB SER A -1 7.423 -9.703 -7.971 1.00 0.00 C ATOM 55 OG SER A -1 7.437 -8.670 -6.996 1.00 0.00 O ATOM 0 H SER A -1 6.586 -11.203 -10.088 1.00 0.00 H new ATOM 0 HA SER A -1 5.336 -10.065 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A -1 7.826 -10.618 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A -1 8.075 -9.429 -8.801 1.00 0.00 H new ATOM 0 HG SER A -1 8.354 -8.530 -6.681 1.00 0.00 H new ATOM 61 N MET A 1 6.189 -7.656 -9.273 1.00 0.00 N ATOM 62 CA MET A 1 5.815 -6.488 -10.035 1.00 0.00 C ATOM 63 C MET A 1 6.705 -6.330 -11.242 1.00 0.00 C ATOM 64 O MET A 1 7.913 -6.561 -11.171 1.00 0.00 O ATOM 65 CB MET A 1 5.914 -5.252 -9.154 1.00 0.00 C ATOM 66 CG MET A 1 5.437 -3.974 -9.820 1.00 0.00 C ATOM 67 SD MET A 1 5.308 -2.627 -8.638 1.00 0.00 S ATOM 68 CE MET A 1 4.336 -3.436 -7.377 1.00 0.00 C ATOM 0 H MET A 1 7.004 -7.523 -8.674 1.00 0.00 H new ATOM 0 HA MET A 1 4.788 -6.610 -10.379 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.330 -5.417 -8.249 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.951 -5.122 -8.845 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.128 -3.697 -10.616 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.467 -4.145 -10.286 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.832 -2.685 -6.769 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.593 -4.080 -7.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.989 -4.037 -6.744 1.00 0.00 H new ATOM 78 N ASP A 2 6.100 -5.927 -12.340 1.00 0.00 N ATOM 79 CA ASP A 2 6.830 -5.717 -13.580 1.00 0.00 C ATOM 80 C ASP A 2 7.854 -4.612 -13.395 1.00 0.00 C ATOM 81 O ASP A 2 7.524 -3.542 -12.892 1.00 0.00 O ATOM 82 CB ASP A 2 5.855 -5.366 -14.710 1.00 0.00 C ATOM 83 CG ASP A 2 6.525 -5.153 -16.061 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.751 -5.346 -16.175 1.00 0.00 O ATOM 85 OD2 ASP A 2 5.815 -4.795 -17.021 1.00 0.00 O ATOM 0 H ASP A 2 5.100 -5.737 -12.402 1.00 0.00 H new ATOM 0 HA ASP A 2 7.353 -6.635 -13.848 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.119 -6.165 -14.803 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.311 -4.461 -14.439 1.00 0.00 H new ATOM 90 N ALA A 3 9.086 -4.879 -13.802 1.00 0.00 N ATOM 91 CA ALA A 3 10.165 -3.908 -13.690 1.00 0.00 C ATOM 92 C ALA A 3 9.835 -2.656 -14.492 1.00 0.00 C ATOM 93 O ALA A 3 10.083 -1.545 -14.042 1.00 0.00 O ATOM 94 CB ALA A 3 11.483 -4.509 -14.156 1.00 0.00 C ATOM 0 H ALA A 3 9.365 -5.768 -14.216 1.00 0.00 H new ATOM 0 HA ALA A 3 10.271 -3.631 -12.641 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.275 -3.766 -14.063 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.725 -5.376 -13.541 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.394 -4.817 -15.198 1.00 0.00 H new ATOM 100 N LYS A 4 9.241 -2.843 -15.664 1.00 0.00 N ATOM 101 CA LYS A 4 8.846 -1.719 -16.512 1.00 0.00 C ATOM 102 C LYS A 4 7.779 -0.875 -15.806 1.00 0.00 C ATOM 103 O LYS A 4 7.757 0.348 -15.931 1.00 0.00 O ATOM 104 CB LYS A 4 8.319 -2.247 -17.849 1.00 0.00 C ATOM 105 CG LYS A 4 7.773 -1.179 -18.790 1.00 0.00 C ATOM 106 CD LYS A 4 8.876 -0.357 -19.435 1.00 0.00 C ATOM 107 CE LYS A 4 8.300 0.604 -20.467 1.00 0.00 C ATOM 108 NZ LYS A 4 9.349 1.404 -21.147 1.00 0.00 N ATOM 0 H LYS A 4 9.021 -3.761 -16.051 1.00 0.00 H new ATOM 0 HA LYS A 4 9.713 -1.086 -16.700 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.124 -2.780 -18.355 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.531 -2.974 -17.651 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.176 -1.655 -19.568 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.107 -0.517 -18.237 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.413 0.203 -18.670 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.598 -1.020 -19.912 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.739 0.039 -21.211 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.594 1.276 -19.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.906 2.041 -21.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.869 1.965 -20.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.009 0.767 -21.637 1.00 0.00 H new ATOM 122 N ALA A 5 6.922 -1.543 -15.045 1.00 0.00 N ATOM 123 CA ALA A 5 5.870 -0.887 -14.287 1.00 0.00 C ATOM 124 C ALA A 5 6.444 -0.239 -13.032 1.00 0.00 C ATOM 125 O ALA A 5 6.280 0.954 -12.799 1.00 0.00 O ATOM 126 CB ALA A 5 4.831 -1.930 -13.902 1.00 0.00 C ATOM 0 H ALA A 5 6.939 -2.557 -14.937 1.00 0.00 H new ATOM 0 HA ALA A 5 5.412 -0.107 -14.895 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.033 -1.455 -13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.415 -2.379 -14.804 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.300 -2.704 -13.294 1.00 0.00 H new ATOM 132 N ARG A 6 7.117 -1.043 -12.225 1.00 0.00 N ATOM 133 CA ARG A 6 7.707 -0.569 -10.982 1.00 0.00 C ATOM 134 C ARG A 6 8.710 0.560 -11.227 1.00 0.00 C ATOM 135 O ARG A 6 8.934 1.409 -10.363 1.00 0.00 O ATOM 136 CB ARG A 6 8.378 -1.738 -10.270 1.00 0.00 C ATOM 137 CG ARG A 6 8.684 -1.456 -8.814 1.00 0.00 C ATOM 138 CD ARG A 6 9.233 -2.689 -8.130 1.00 0.00 C ATOM 139 NE ARG A 6 10.545 -3.071 -8.654 1.00 0.00 N ATOM 140 CZ ARG A 6 11.341 -3.993 -8.118 1.00 0.00 C ATOM 141 NH1 ARG A 6 11.014 -4.607 -6.990 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.481 -4.277 -8.716 1.00 0.00 N ATOM 0 H ARG A 6 7.269 -2.034 -12.410 1.00 0.00 H new ATOM 0 HA ARG A 6 6.915 -0.162 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.732 -2.614 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.305 -1.986 -10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.406 -0.643 -8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.779 -1.125 -8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.311 -2.504 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.536 -3.517 -8.261 1.00 0.00 H new ATOM 0 HE ARG A 6 10.874 -2.594 -9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.140 -4.375 -6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.636 -5.311 -6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.741 -3.793 -9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.103 -4.981 -8.319 1.00 0.00 H new ATOM 156 N ASN A 7 9.301 0.571 -12.411 1.00 0.00 N ATOM 157 CA ASN A 7 10.268 1.595 -12.772 1.00 0.00 C ATOM 158 C ASN A 7 9.595 2.852 -13.257 1.00 0.00 C ATOM 159 O ASN A 7 9.918 3.919 -12.782 1.00 0.00 O ATOM 160 CB ASN A 7 11.262 1.101 -13.829 1.00 0.00 C ATOM 161 CG ASN A 7 12.479 0.419 -13.232 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.163 0.978 -12.374 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.773 -0.780 -13.710 1.00 0.00 N ATOM 0 H ASN A 7 9.127 -0.120 -13.141 1.00 0.00 H new ATOM 0 HA ASN A 7 10.821 1.824 -11.861 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.755 0.405 -14.498 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.588 1.946 -14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.595 -1.278 -13.368 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.178 -1.206 -14.421 1.00 0.00 H new ATOM 170 N CYS A 8 8.649 2.750 -14.181 1.00 0.00 N ATOM 171 CA CYS A 8 7.954 3.943 -14.681 1.00 0.00 C ATOM 172 C CYS A 8 7.359 4.735 -13.527 1.00 0.00 C ATOM 173 O CYS A 8 7.139 5.946 -13.614 1.00 0.00 O ATOM 174 CB CYS A 8 6.863 3.532 -15.683 1.00 0.00 C ATOM 175 SG CYS A 8 5.575 2.448 -15.029 1.00 0.00 S ATOM 0 H CYS A 8 8.344 1.871 -14.598 1.00 0.00 H new ATOM 0 HA CYS A 8 8.672 4.583 -15.193 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.391 4.435 -16.071 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.339 3.033 -16.527 1.00 0.00 H new ATOM 0 HG CYS A 8 5.933 2.004 -13.861 1.00 0.00 H new ATOM 181 N LEU A 9 7.145 4.026 -12.443 1.00 0.00 N ATOM 182 CA LEU A 9 6.612 4.598 -11.230 1.00 0.00 C ATOM 183 C LEU A 9 7.696 5.337 -10.444 1.00 0.00 C ATOM 184 O LEU A 9 7.608 6.544 -10.227 1.00 0.00 O ATOM 185 CB LEU A 9 6.002 3.472 -10.379 1.00 0.00 C ATOM 186 CG LEU A 9 5.956 3.728 -8.879 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.886 4.743 -8.533 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.743 2.429 -8.122 1.00 0.00 C ATOM 0 H LEU A 9 7.338 3.027 -12.379 1.00 0.00 H new ATOM 0 HA LEU A 9 5.843 5.327 -11.486 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.986 3.287 -10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.571 2.559 -10.556 1.00 0.00 H new ATOM 0 HG LEU A 9 6.917 4.144 -8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.875 4.907 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.099 5.684 -9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.913 4.370 -8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.713 2.632 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.801 1.977 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.562 1.743 -8.338 1.00 0.00 H new ATOM 200 N LEU A 10 8.706 4.601 -9.996 1.00 0.00 N ATOM 201 CA LEU A 10 9.772 5.193 -9.188 1.00 0.00 C ATOM 202 C LEU A 10 10.764 6.044 -10.003 1.00 0.00 C ATOM 203 O LEU A 10 11.361 6.979 -9.467 1.00 0.00 O ATOM 204 CB LEU A 10 10.527 4.080 -8.469 1.00 0.00 C ATOM 205 CG LEU A 10 9.813 3.471 -7.264 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.531 2.210 -6.807 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.745 4.482 -6.131 1.00 0.00 C ATOM 0 H LEU A 10 8.812 3.602 -10.175 1.00 0.00 H new ATOM 0 HA LEU A 10 9.295 5.870 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.736 3.285 -9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.489 4.472 -8.139 1.00 0.00 H new ATOM 0 HG LEU A 10 8.797 3.204 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.011 1.787 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.542 1.483 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.555 2.456 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.234 4.038 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.755 4.771 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.197 5.364 -6.463 1.00 0.00 H new ATOM 219 N GLN A 11 10.944 5.703 -11.279 1.00 0.00 N ATOM 220 CA GLN A 11 11.872 6.411 -12.170 1.00 0.00 C ATOM 221 C GLN A 11 11.434 7.854 -12.343 1.00 0.00 C ATOM 222 O GLN A 11 12.266 8.758 -12.444 1.00 0.00 O ATOM 223 CB GLN A 11 11.932 5.712 -13.527 1.00 0.00 C ATOM 224 CG GLN A 11 13.083 6.141 -14.420 1.00 0.00 C ATOM 225 CD GLN A 11 13.091 5.375 -15.726 1.00 0.00 C ATOM 226 OE1 GLN A 11 14.014 5.500 -16.537 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.051 4.586 -15.942 1.00 0.00 N ATOM 0 H GLN A 11 10.453 4.929 -11.727 1.00 0.00 H new ATOM 0 HA GLN A 11 12.866 6.399 -11.724 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.001 4.637 -13.362 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.996 5.894 -14.054 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.007 7.209 -14.624 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.027 5.983 -13.899 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.312 4.514 -15.243 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.989 4.050 -16.807 1.00 0.00 H new ATOM 236 N HIS A 12 10.120 8.064 -12.318 1.00 0.00 N ATOM 237 CA HIS A 12 9.548 9.392 -12.421 1.00 0.00 C ATOM 238 C HIS A 12 9.619 10.076 -11.068 1.00 0.00 C ATOM 239 O HIS A 12 8.717 10.801 -10.677 1.00 0.00 O ATOM 240 CB HIS A 12 8.109 9.334 -12.941 1.00 0.00 C ATOM 241 CG HIS A 12 8.033 9.455 -14.430 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.306 10.626 -15.094 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.765 8.539 -15.387 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.211 10.424 -16.389 1.00 0.00 C ATOM 245 NE2 HIS A 12 7.886 9.166 -16.598 1.00 0.00 N ATOM 0 H HIS A 12 9.430 7.318 -12.226 1.00 0.00 H new ATOM 0 HA HIS A 12 10.124 9.974 -13.141 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.652 8.394 -12.632 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.528 10.136 -12.484 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.504 7.504 -15.226 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.373 11.168 -17.155 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.747 8.731 -17.510 1.00 0.00 H new ATOM 254 N ARG A 13 10.729 9.816 -10.382 1.00 0.00 N ATOM 255 CA ARG A 13 11.048 10.354 -9.056 1.00 0.00 C ATOM 256 C ARG A 13 10.767 11.852 -8.966 1.00 0.00 C ATOM 257 O ARG A 13 10.337 12.346 -7.920 1.00 0.00 O ATOM 258 CB ARG A 13 12.520 10.107 -8.717 1.00 0.00 C ATOM 259 CG ARG A 13 12.883 10.495 -7.292 1.00 0.00 C ATOM 260 CD ARG A 13 12.365 9.477 -6.292 1.00 0.00 C ATOM 261 NE ARG A 13 12.350 9.994 -4.924 1.00 0.00 N ATOM 262 CZ ARG A 13 12.172 9.234 -3.854 1.00 0.00 C ATOM 263 NH1 ARG A 13 12.148 7.915 -3.973 1.00 0.00 N ATOM 264 NH2 ARG A 13 12.055 9.784 -2.653 1.00 0.00 N ATOM 0 H ARG A 13 11.459 9.203 -10.745 1.00 0.00 H new ATOM 0 HA ARG A 13 10.407 9.836 -8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.748 9.052 -8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.145 10.671 -9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.966 10.579 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.467 11.476 -7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.356 9.176 -6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.988 8.583 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 13 12.484 10.996 -4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.267 7.483 -4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.011 7.331 -3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.102 10.798 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.918 9.193 -1.833 1.00 0.00 H new ATOM 278 N GLU A 14 11.004 12.569 -10.063 1.00 0.00 N ATOM 279 CA GLU A 14 10.760 14.005 -10.101 1.00 0.00 C ATOM 280 C GLU A 14 9.303 14.296 -9.764 1.00 0.00 C ATOM 281 O GLU A 14 8.983 15.336 -9.207 1.00 0.00 O ATOM 282 CB GLU A 14 11.124 14.583 -11.471 1.00 0.00 C ATOM 283 CG GLU A 14 10.970 16.095 -11.560 1.00 0.00 C ATOM 284 CD GLU A 14 11.804 16.852 -10.540 1.00 0.00 C ATOM 285 OE1 GLU A 14 12.538 16.216 -9.756 1.00 0.00 O ATOM 286 OE2 GLU A 14 11.722 18.096 -10.515 1.00 0.00 O ATOM 0 H GLU A 14 11.364 12.178 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 14 11.394 14.485 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.155 14.318 -11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.495 14.118 -12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.251 16.422 -12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.920 16.354 -11.423 1.00 0.00 H new ATOM 293 N ALA A 15 8.427 13.349 -10.073 1.00 0.00 N ATOM 294 CA ALA A 15 7.014 13.491 -9.766 1.00 0.00 C ATOM 295 C ALA A 15 6.630 12.540 -8.620 1.00 0.00 C ATOM 296 O ALA A 15 5.624 12.742 -7.943 1.00 0.00 O ATOM 297 CB ALA A 15 6.176 13.232 -11.009 1.00 0.00 C ATOM 0 H ALA A 15 8.673 12.474 -10.536 1.00 0.00 H new ATOM 0 HA ALA A 15 6.816 14.512 -9.440 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.119 13.342 -10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.445 13.948 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.362 12.220 -11.369 1.00 0.00 H new ATOM 303 N LEU A 16 7.466 11.517 -8.416 1.00 0.00 N ATOM 304 CA LEU A 16 7.281 10.502 -7.362 1.00 0.00 C ATOM 305 C LEU A 16 6.984 11.163 -6.009 1.00 0.00 C ATOM 306 O LEU A 16 5.834 11.320 -5.623 1.00 0.00 O ATOM 307 CB LEU A 16 8.566 9.645 -7.266 1.00 0.00 C ATOM 308 CG LEU A 16 8.486 8.267 -6.601 1.00 0.00 C ATOM 309 CD1 LEU A 16 8.125 8.372 -5.133 1.00 0.00 C ATOM 310 CD2 LEU A 16 7.531 7.362 -7.359 1.00 0.00 C ATOM 0 H LEU A 16 8.301 11.365 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 16 6.430 9.871 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.943 9.501 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.313 10.229 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 16 9.476 7.814 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.078 7.374 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.882 8.960 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.155 8.858 -5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.488 6.388 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.536 7.808 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.882 7.239 -8.384 1.00 0.00 H new ATOM 322 N GLU A 17 8.038 11.526 -5.291 1.00 0.00 N ATOM 323 CA GLU A 17 7.924 12.149 -3.969 1.00 0.00 C ATOM 324 C GLU A 17 7.164 13.490 -4.005 1.00 0.00 C ATOM 325 O GLU A 17 6.734 13.991 -2.963 1.00 0.00 O ATOM 326 CB GLU A 17 9.338 12.342 -3.401 1.00 0.00 C ATOM 327 CG GLU A 17 9.385 12.833 -1.961 1.00 0.00 C ATOM 328 CD GLU A 17 10.799 12.885 -1.408 1.00 0.00 C ATOM 329 OE1 GLU A 17 11.734 12.419 -2.094 1.00 0.00 O ATOM 330 OE2 GLU A 17 10.985 13.386 -0.280 1.00 0.00 O ATOM 0 H GLU A 17 9.000 11.399 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 17 7.340 11.490 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.873 11.394 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.873 13.053 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.940 13.826 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.779 12.176 -1.337 1.00 0.00 H new ATOM 337 N LYS A 18 6.998 14.071 -5.189 1.00 0.00 N ATOM 338 CA LYS A 18 6.298 15.347 -5.316 1.00 0.00 C ATOM 339 C LYS A 18 4.779 15.207 -5.251 1.00 0.00 C ATOM 340 O LYS A 18 4.113 16.010 -4.598 1.00 0.00 O ATOM 341 CB LYS A 18 6.679 16.049 -6.624 1.00 0.00 C ATOM 342 CG LYS A 18 7.970 16.851 -6.555 1.00 0.00 C ATOM 343 CD LYS A 18 8.119 17.732 -7.788 1.00 0.00 C ATOM 344 CE LYS A 18 9.483 18.391 -7.858 1.00 0.00 C ATOM 345 NZ LYS A 18 9.696 19.067 -9.167 1.00 0.00 N ATOM 0 H LYS A 18 7.336 13.683 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 18 6.613 15.946 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.773 15.300 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.867 16.715 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.973 17.469 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.821 16.175 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.961 17.131 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.346 18.500 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.579 19.118 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.259 17.641 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.669 18.896 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.026 18.689 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.543 20.090 -9.059 1.00 0.00 H new ATOM 359 N ASP A 19 4.229 14.233 -5.965 1.00 0.00 N ATOM 360 CA ASP A 19 2.776 14.062 -6.009 1.00 0.00 C ATOM 361 C ASP A 19 2.292 12.779 -5.345 1.00 0.00 C ATOM 362 O ASP A 19 1.131 12.696 -4.953 1.00 0.00 O ATOM 363 CB ASP A 19 2.268 14.131 -7.456 1.00 0.00 C ATOM 364 CG ASP A 19 1.994 15.554 -7.923 1.00 0.00 C ATOM 365 OD1 ASP A 19 2.036 16.482 -7.087 1.00 0.00 O ATOM 366 OD2 ASP A 19 1.721 15.747 -9.129 1.00 0.00 O ATOM 0 H ASP A 19 4.756 13.556 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 19 2.359 14.887 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.005 13.673 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.354 13.544 -7.543 1.00 0.00 H new ATOM 371 N ILE A 20 3.158 11.780 -5.217 1.00 0.00 N ATOM 372 CA ILE A 20 2.754 10.523 -4.579 1.00 0.00 C ATOM 373 C ILE A 20 2.391 10.759 -3.117 1.00 0.00 C ATOM 374 O ILE A 20 3.248 11.058 -2.283 1.00 0.00 O ATOM 375 CB ILE A 20 3.841 9.419 -4.694 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.858 8.823 -6.103 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.644 8.304 -3.678 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.564 7.483 -6.171 1.00 0.00 C ATOM 0 H ILE A 20 4.126 11.809 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 20 1.875 10.164 -5.115 1.00 0.00 H new ATOM 0 HB ILE A 20 4.796 9.900 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.833 8.706 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.349 9.521 -6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.429 7.558 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.690 8.718 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.672 7.837 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.543 7.112 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.599 7.600 -5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.059 6.772 -5.517 1.00 0.00 H new ATOM 390 N LYS A 21 1.106 10.631 -2.823 1.00 0.00 N ATOM 391 CA LYS A 21 0.602 10.827 -1.479 1.00 0.00 C ATOM 392 C LYS A 21 0.169 9.500 -0.889 1.00 0.00 C ATOM 393 O LYS A 21 0.267 8.469 -1.546 1.00 0.00 O ATOM 394 CB LYS A 21 -0.567 11.808 -1.455 1.00 0.00 C ATOM 395 CG LYS A 21 -0.202 13.157 -0.873 1.00 0.00 C ATOM 396 CD LYS A 21 0.360 14.089 -1.933 1.00 0.00 C ATOM 397 CE LYS A 21 0.722 15.446 -1.347 1.00 0.00 C ATOM 398 NZ LYS A 21 1.847 15.360 -0.371 1.00 0.00 N ATOM 0 H LYS A 21 0.389 10.390 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 21 1.409 11.249 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.938 11.946 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.382 11.377 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.084 13.610 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.532 13.025 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.244 13.638 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.372 14.219 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.995 16.126 -2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.152 15.871 -0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.170 16.318 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.523 14.875 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.634 14.827 -0.794 1.00 0.00 H new ATOM 412 N THR A 22 -0.307 9.530 0.348 1.00 0.00 N ATOM 413 CA THR A 22 -0.742 8.320 1.019 1.00 0.00 C ATOM 414 C THR A 22 -2.214 8.398 1.446 1.00 0.00 C ATOM 415 O THR A 22 -3.069 7.944 0.698 1.00 0.00 O ATOM 416 CB THR A 22 0.185 7.998 2.209 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.400 7.008 3.065 1.00 0.00 O ATOM 418 CG2 THR A 22 0.515 9.245 3.007 1.00 0.00 C ATOM 0 H THR A 22 -0.400 10.380 0.904 1.00 0.00 H new ATOM 0 HA THR A 22 -0.671 7.499 0.306 1.00 0.00 H new ATOM 0 HB THR A 22 1.112 7.599 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.676 6.235 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.170 8.983 3.838 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.017 9.967 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.405 9.683 3.394 1.00 0.00 H new ATOM 426 N SER A 23 -2.475 8.960 2.635 1.00 0.00 N ATOM 427 CA SER A 23 -3.820 9.119 3.233 1.00 0.00 C ATOM 428 C SER A 23 -4.999 8.672 2.357 1.00 0.00 C ATOM 429 O SER A 23 -5.531 7.577 2.538 1.00 0.00 O ATOM 430 CB SER A 23 -4.006 10.576 3.658 1.00 0.00 C ATOM 431 OG SER A 23 -3.021 10.950 4.614 1.00 0.00 O ATOM 0 H SER A 23 -1.735 9.331 3.231 1.00 0.00 H new ATOM 0 HA SER A 23 -3.843 8.440 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.939 11.226 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.001 10.713 4.081 1.00 0.00 H new ATOM 0 HG SER A 23 -3.155 11.886 4.873 1.00 0.00 H new ATOM 437 N TYR A 24 -5.415 9.530 1.431 1.00 0.00 N ATOM 438 CA TYR A 24 -6.550 9.236 0.550 1.00 0.00 C ATOM 439 C TYR A 24 -6.294 8.029 -0.352 1.00 0.00 C ATOM 440 O TYR A 24 -7.054 7.060 -0.347 1.00 0.00 O ATOM 441 CB TYR A 24 -6.856 10.433 -0.339 1.00 0.00 C ATOM 442 CG TYR A 24 -7.349 11.662 0.404 1.00 0.00 C ATOM 443 CD1 TYR A 24 -6.538 12.331 1.308 1.00 0.00 C ATOM 444 CD2 TYR A 24 -8.632 12.146 0.195 1.00 0.00 C ATOM 445 CE1 TYR A 24 -6.990 13.440 1.984 1.00 0.00 C ATOM 446 CE2 TYR A 24 -9.091 13.257 0.868 1.00 0.00 C ATOM 447 CZ TYR A 24 -8.265 13.900 1.759 1.00 0.00 C ATOM 448 OH TYR A 24 -8.715 15.008 2.435 1.00 0.00 O ATOM 0 H TYR A 24 -4.984 10.440 1.268 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.393 9.011 1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.955 10.697 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.608 10.142 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.534 11.975 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.282 11.644 -0.507 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.346 13.947 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.093 13.620 0.697 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.636 15.205 2.163 1.00 0.00 H new ATOM 458 N ILE A 25 -5.233 8.113 -1.140 1.00 0.00 N ATOM 459 CA ILE A 25 -4.867 7.051 -2.070 1.00 0.00 C ATOM 460 C ILE A 25 -4.765 5.703 -1.364 1.00 0.00 C ATOM 461 O ILE A 25 -5.302 4.698 -1.834 1.00 0.00 O ATOM 462 CB ILE A 25 -3.535 7.390 -2.766 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.717 8.639 -3.633 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.029 6.225 -3.602 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.449 9.109 -4.300 1.00 0.00 C ATOM 0 H ILE A 25 -4.603 8.915 -1.155 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.654 6.977 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.785 7.587 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.464 8.432 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.111 9.445 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.088 6.500 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.871 5.358 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.765 5.980 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.659 9.997 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.706 9.349 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.064 8.321 -4.947 1.00 0.00 H new ATOM 477 N MET A 26 -4.102 5.699 -0.226 1.00 0.00 N ATOM 478 CA MET A 26 -3.943 4.497 0.565 1.00 0.00 C ATOM 479 C MET A 26 -5.277 4.015 1.099 1.00 0.00 C ATOM 480 O MET A 26 -5.475 2.817 1.253 1.00 0.00 O ATOM 481 CB MET A 26 -2.990 4.746 1.735 1.00 0.00 C ATOM 482 CG MET A 26 -2.869 3.568 2.694 1.00 0.00 C ATOM 483 SD MET A 26 -1.963 3.979 4.192 1.00 0.00 S ATOM 484 CE MET A 26 -3.021 5.248 4.888 1.00 0.00 C ATOM 0 H MET A 26 -3.660 6.526 0.175 1.00 0.00 H new ATOM 0 HA MET A 26 -3.525 3.728 -0.085 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.002 4.985 1.342 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.332 5.620 2.290 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.866 3.220 2.962 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.369 2.743 2.187 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.137 5.078 5.958 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.572 6.227 4.723 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.998 5.211 4.407 1.00 0.00 H new ATOM 494 N ASP A 27 -6.202 4.938 1.360 1.00 0.00 N ATOM 495 CA ASP A 27 -7.514 4.560 1.879 1.00 0.00 C ATOM 496 C ASP A 27 -8.239 3.726 0.840 1.00 0.00 C ATOM 497 O ASP A 27 -8.960 2.783 1.156 1.00 0.00 O ATOM 498 CB ASP A 27 -8.325 5.809 2.249 1.00 0.00 C ATOM 499 CG ASP A 27 -9.568 5.498 3.059 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.529 4.929 2.503 1.00 0.00 O ATOM 501 OD2 ASP A 27 -9.595 5.829 4.263 1.00 0.00 O ATOM 0 H ASP A 27 -6.070 5.940 1.223 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.391 3.967 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.691 6.491 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.615 6.329 1.336 1.00 0.00 H new ATOM 506 N HIS A 28 -7.992 4.065 -0.408 1.00 0.00 N ATOM 507 CA HIS A 28 -8.575 3.347 -1.522 1.00 0.00 C ATOM 508 C HIS A 28 -7.919 1.977 -1.677 1.00 0.00 C ATOM 509 O HIS A 28 -8.571 1.016 -2.066 1.00 0.00 O ATOM 510 CB HIS A 28 -8.414 4.161 -2.798 1.00 0.00 C ATOM 511 CG HIS A 28 -9.216 5.427 -2.803 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.588 5.445 -2.876 1.00 0.00 N ATOM 513 CD2 HIS A 28 -8.831 6.723 -2.737 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.013 6.691 -2.859 1.00 0.00 C ATOM 515 NE2 HIS A 28 -9.965 7.484 -2.772 1.00 0.00 N ATOM 0 H HIS A 28 -7.386 4.840 -0.678 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.637 3.196 -1.329 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.361 4.407 -2.933 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.710 3.549 -3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.817 7.087 -2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.044 7.008 -2.908 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.995 8.503 -2.736 1.00 0.00 H new ATOM 524 N MET A 29 -6.628 1.894 -1.359 1.00 0.00 N ATOM 525 CA MET A 29 -5.888 0.632 -1.460 1.00 0.00 C ATOM 526 C MET A 29 -6.371 -0.372 -0.415 1.00 0.00 C ATOM 527 O MET A 29 -6.442 -1.572 -0.670 1.00 0.00 O ATOM 528 CB MET A 29 -4.386 0.868 -1.292 1.00 0.00 C ATOM 529 CG MET A 29 -3.730 1.531 -2.489 1.00 0.00 C ATOM 530 SD MET A 29 -1.976 1.133 -2.608 1.00 0.00 S ATOM 531 CE MET A 29 -2.057 -0.572 -3.159 1.00 0.00 C ATOM 0 H MET A 29 -6.072 2.683 -1.030 1.00 0.00 H new ATOM 0 HA MET A 29 -6.073 0.221 -2.452 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.222 1.488 -0.411 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.897 -0.088 -1.105 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.236 1.214 -3.401 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.852 2.612 -2.416 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.279 -1.152 -2.663 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.034 -0.988 -2.912 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.907 -0.613 -4.238 1.00 0.00 H new ATOM 541 N ILE A 30 -6.723 0.135 0.757 1.00 0.00 N ATOM 542 CA ILE A 30 -7.226 -0.702 1.842 1.00 0.00 C ATOM 543 C ILE A 30 -8.650 -1.110 1.519 1.00 0.00 C ATOM 544 O ILE A 30 -9.061 -2.236 1.789 1.00 0.00 O ATOM 545 CB ILE A 30 -7.219 0.049 3.185 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.974 0.932 3.310 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.254 -0.925 4.361 1.00 0.00 C ATOM 548 CD1 ILE A 30 -6.050 1.924 4.448 1.00 0.00 C ATOM 0 H ILE A 30 -6.670 1.128 0.984 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.577 -1.573 1.934 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.112 0.673 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.100 0.296 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.827 1.474 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.248 -0.366 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.159 -1.530 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.380 -1.575 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.135 2.515 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.904 2.584 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.166 1.389 5.390 1.00 0.00 H new ATOM 560 N SER A 31 -9.383 -0.182 0.908 1.00 0.00 N ATOM 561 CA SER A 31 -10.763 -0.426 0.506 1.00 0.00 C ATOM 562 C SER A 31 -10.787 -1.462 -0.611 1.00 0.00 C ATOM 563 O SER A 31 -11.734 -2.245 -0.734 1.00 0.00 O ATOM 564 CB SER A 31 -11.423 0.883 0.046 1.00 0.00 C ATOM 565 OG SER A 31 -12.792 0.697 -0.290 1.00 0.00 O ATOM 0 H SER A 31 -9.040 0.751 0.680 1.00 0.00 H new ATOM 0 HA SER A 31 -11.327 -0.808 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.341 1.628 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.887 1.276 -0.818 1.00 0.00 H new ATOM 0 HG SER A 31 -13.178 1.551 -0.576 1.00 0.00 H new ATOM 571 N ASP A 32 -9.713 -1.478 -1.400 1.00 0.00 N ATOM 572 CA ASP A 32 -9.573 -2.437 -2.486 1.00 0.00 C ATOM 573 C ASP A 32 -9.297 -3.813 -1.908 1.00 0.00 C ATOM 574 O ASP A 32 -9.615 -4.831 -2.522 1.00 0.00 O ATOM 575 CB ASP A 32 -8.444 -2.047 -3.449 1.00 0.00 C ATOM 576 CG ASP A 32 -8.875 -1.071 -4.527 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.049 -0.635 -4.519 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.037 -0.734 -5.394 1.00 0.00 O ATOM 0 H ASP A 32 -8.928 -0.834 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.504 -2.444 -3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.627 -1.607 -2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.053 -2.948 -3.922 1.00 0.00 H new ATOM 583 N GLY A 33 -8.721 -3.837 -0.703 1.00 0.00 N ATOM 584 CA GLY A 33 -8.440 -5.102 -0.052 1.00 0.00 C ATOM 585 C GLY A 33 -7.035 -5.595 -0.303 1.00 0.00 C ATOM 586 O GLY A 33 -6.673 -6.694 0.111 1.00 0.00 O ATOM 0 H GLY A 33 -8.448 -3.009 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.595 -4.994 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.150 -5.851 -0.403 1.00 0.00 H new ATOM 590 N PHE A 34 -6.234 -4.788 -0.979 1.00 0.00 N ATOM 591 CA PHE A 34 -4.863 -5.176 -1.262 1.00 0.00 C ATOM 592 C PHE A 34 -3.976 -4.823 -0.078 1.00 0.00 C ATOM 593 O PHE A 34 -2.999 -5.508 0.222 1.00 0.00 O ATOM 594 CB PHE A 34 -4.347 -4.517 -2.538 1.00 0.00 C ATOM 595 CG PHE A 34 -5.001 -5.027 -3.794 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.326 -4.748 -4.057 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.291 -5.789 -4.703 1.00 0.00 C ATOM 598 CE1 PHE A 34 -6.933 -5.211 -5.207 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.888 -6.258 -5.856 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.214 -5.972 -6.110 1.00 0.00 C ATOM 0 H PHE A 34 -6.505 -3.872 -1.338 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.837 -6.254 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.505 -3.441 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.271 -4.678 -2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.896 -4.159 -3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.254 -6.021 -4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.970 -4.979 -5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.318 -6.848 -6.558 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.687 -6.340 -7.008 1.00 0.00 H new ATOM 610 N LEU A 35 -4.355 -3.764 0.614 1.00 0.00 N ATOM 611 CA LEU A 35 -3.638 -3.323 1.795 1.00 0.00 C ATOM 612 C LEU A 35 -4.439 -3.721 3.020 1.00 0.00 C ATOM 613 O LEU A 35 -5.632 -3.434 3.096 1.00 0.00 O ATOM 614 CB LEU A 35 -3.433 -1.808 1.772 1.00 0.00 C ATOM 615 CG LEU A 35 -2.028 -1.341 1.418 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.609 -1.858 0.058 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.953 0.168 1.437 1.00 0.00 C ATOM 0 H LEU A 35 -5.163 -3.189 0.375 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.655 -3.793 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.132 -1.375 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.693 -1.409 2.752 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.345 -1.742 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.602 -1.509 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.623 -2.948 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.300 -1.490 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.942 0.485 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.656 0.576 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.207 0.532 2.432 1.00 0.00 H new ATOM 629 N THR A 36 -3.804 -4.391 3.960 1.00 0.00 N ATOM 630 CA THR A 36 -4.502 -4.822 5.155 1.00 0.00 C ATOM 631 C THR A 36 -4.411 -3.749 6.224 1.00 0.00 C ATOM 632 O THR A 36 -3.771 -2.714 6.020 1.00 0.00 O ATOM 633 CB THR A 36 -3.915 -6.133 5.714 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.558 -5.922 6.136 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.962 -7.240 4.669 1.00 0.00 C ATOM 0 H THR A 36 -2.817 -4.647 3.922 1.00 0.00 H new ATOM 0 HA THR A 36 -5.543 -4.996 4.881 1.00 0.00 H new ATOM 0 HB THR A 36 -4.518 -6.439 6.569 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.963 -5.966 5.359 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.542 -8.154 5.088 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.996 -7.418 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.382 -6.941 3.796 1.00 0.00 H new ATOM 643 N ILE A 37 -5.020 -4.005 7.371 1.00 0.00 N ATOM 644 CA ILE A 37 -4.967 -3.057 8.471 1.00 0.00 C ATOM 645 C ILE A 37 -3.521 -2.923 8.947 1.00 0.00 C ATOM 646 O ILE A 37 -3.125 -1.890 9.477 1.00 0.00 O ATOM 647 CB ILE A 37 -5.889 -3.478 9.637 1.00 0.00 C ATOM 648 CG1 ILE A 37 -7.319 -3.651 9.121 1.00 0.00 C ATOM 649 CG2 ILE A 37 -5.853 -2.442 10.756 1.00 0.00 C ATOM 650 CD1 ILE A 37 -8.315 -4.082 10.181 1.00 0.00 C ATOM 0 H ILE A 37 -5.552 -4.854 7.563 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.328 -2.092 8.115 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.534 -4.426 10.042 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.653 -2.709 8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.317 -4.389 8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.509 -2.759 11.566 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.834 -2.346 11.131 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.190 -1.479 10.372 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.303 -4.181 9.732 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.009 -5.040 10.600 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.350 -3.334 10.973 1.00 0.00 H new ATOM 662 N SER A 38 -2.725 -3.968 8.706 1.00 0.00 N ATOM 663 CA SER A 38 -1.314 -3.959 9.066 1.00 0.00 C ATOM 664 C SER A 38 -0.564 -2.978 8.173 1.00 0.00 C ATOM 665 O SER A 38 0.301 -2.233 8.638 1.00 0.00 O ATOM 666 CB SER A 38 -0.726 -5.362 8.933 1.00 0.00 C ATOM 667 OG SER A 38 -1.527 -6.314 9.618 1.00 0.00 O ATOM 0 H SER A 38 -3.039 -4.831 8.262 1.00 0.00 H new ATOM 0 HA SER A 38 -1.211 -3.642 10.104 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.654 -5.632 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.287 -5.376 9.336 1.00 0.00 H new ATOM 0 HG SER A 38 -1.133 -7.206 9.518 1.00 0.00 H new ATOM 673 N GLU A 39 -0.929 -2.947 6.890 1.00 0.00 N ATOM 674 CA GLU A 39 -0.313 -2.014 5.957 1.00 0.00 C ATOM 675 C GLU A 39 -0.736 -0.600 6.321 1.00 0.00 C ATOM 676 O GLU A 39 0.100 0.300 6.427 1.00 0.00 O ATOM 677 CB GLU A 39 -0.703 -2.324 4.509 1.00 0.00 C ATOM 678 CG GLU A 39 0.178 -3.364 3.836 1.00 0.00 C ATOM 679 CD GLU A 39 -0.076 -4.762 4.336 1.00 0.00 C ATOM 680 OE1 GLU A 39 -1.173 -5.293 4.074 1.00 0.00 O ATOM 681 OE2 GLU A 39 0.810 -5.337 4.997 1.00 0.00 O ATOM 0 H GLU A 39 -1.641 -3.552 6.481 1.00 0.00 H new ATOM 0 HA GLU A 39 0.770 -2.113 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.736 -2.671 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.665 -1.402 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.010 -3.333 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.224 -3.109 4.003 1.00 0.00 H new ATOM 688 N GLU A 40 -2.039 -0.437 6.546 1.00 0.00 N ATOM 689 CA GLU A 40 -2.611 0.846 6.938 1.00 0.00 C ATOM 690 C GLU A 40 -1.922 1.377 8.196 1.00 0.00 C ATOM 691 O GLU A 40 -1.577 2.556 8.291 1.00 0.00 O ATOM 692 CB GLU A 40 -4.105 0.687 7.221 1.00 0.00 C ATOM 693 CG GLU A 40 -4.764 1.981 7.667 1.00 0.00 C ATOM 694 CD GLU A 40 -6.036 1.769 8.460 1.00 0.00 C ATOM 695 OE1 GLU A 40 -6.992 1.166 7.931 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.084 2.212 9.626 1.00 0.00 O ATOM 0 H GLU A 40 -2.724 -1.188 6.462 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.462 1.551 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.603 0.323 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.245 -0.070 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.058 2.549 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.989 2.586 6.789 1.00 0.00 H new ATOM 703 N GLU A 41 -1.757 0.482 9.164 1.00 0.00 N ATOM 704 CA GLU A 41 -1.140 0.809 10.445 1.00 0.00 C ATOM 705 C GLU A 41 0.227 1.471 10.276 1.00 0.00 C ATOM 706 O GLU A 41 0.448 2.566 10.765 1.00 0.00 O ATOM 707 CB GLU A 41 -0.986 -0.453 11.297 1.00 0.00 C ATOM 708 CG GLU A 41 -0.361 -0.192 12.662 1.00 0.00 C ATOM 709 CD GLU A 41 0.037 -1.464 13.380 1.00 0.00 C ATOM 710 OE1 GLU A 41 -0.841 -2.315 13.628 1.00 0.00 O ATOM 711 OE2 GLU A 41 1.230 -1.621 13.704 1.00 0.00 O ATOM 0 H GLU A 41 -2.048 -0.492 9.083 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.800 1.519 10.943 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.966 -0.910 11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.372 -1.174 10.757 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.518 0.440 12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.068 0.362 13.280 1.00 0.00 H new ATOM 718 N LYS A 42 1.150 0.777 9.625 1.00 0.00 N ATOM 719 CA LYS A 42 2.517 1.283 9.444 1.00 0.00 C ATOM 720 C LYS A 42 2.591 2.577 8.618 1.00 0.00 C ATOM 721 O LYS A 42 3.208 3.558 9.052 1.00 0.00 O ATOM 722 CB LYS A 42 3.391 0.204 8.796 1.00 0.00 C ATOM 723 CG LYS A 42 3.371 -1.145 9.518 1.00 0.00 C ATOM 724 CD LYS A 42 4.239 -1.165 10.775 1.00 0.00 C ATOM 725 CE LYS A 42 3.583 -0.451 11.943 1.00 0.00 C ATOM 726 NZ LYS A 42 4.326 -0.660 13.213 1.00 0.00 N ATOM 0 H LYS A 42 0.984 -0.140 9.210 1.00 0.00 H new ATOM 0 HA LYS A 42 2.888 1.529 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.062 0.057 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.419 0.564 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.344 -1.390 9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.714 -1.921 8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.446 -2.198 11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.198 -0.695 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.525 0.616 11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.560 -0.809 12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.844 -0.156 13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.360 -1.676 13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.295 -0.295 13.113 1.00 0.00 H new ATOM 740 N VAL A 43 1.981 2.577 7.429 1.00 0.00 N ATOM 741 CA VAL A 43 2.010 3.747 6.550 1.00 0.00 C ATOM 742 C VAL A 43 1.471 4.988 7.264 1.00 0.00 C ATOM 743 O VAL A 43 2.042 6.071 7.155 1.00 0.00 O ATOM 744 CB VAL A 43 1.192 3.508 5.263 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.361 4.674 4.305 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.604 2.209 4.593 1.00 0.00 C ATOM 0 H VAL A 43 1.463 1.782 7.055 1.00 0.00 H new ATOM 0 HA VAL A 43 3.053 3.912 6.280 1.00 0.00 H new ATOM 0 HB VAL A 43 0.140 3.430 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.778 4.491 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.013 5.590 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.414 4.779 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.014 2.063 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.662 2.253 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.433 1.377 5.276 1.00 0.00 H new ATOM 756 N ARG A 44 0.365 4.827 7.988 1.00 0.00 N ATOM 757 CA ARG A 44 -0.240 5.949 8.693 1.00 0.00 C ATOM 758 C ARG A 44 0.428 6.206 10.051 1.00 0.00 C ATOM 759 O ARG A 44 0.246 7.271 10.639 1.00 0.00 O ATOM 760 CB ARG A 44 -1.736 5.706 8.891 1.00 0.00 C ATOM 761 CG ARG A 44 -2.522 6.956 9.275 1.00 0.00 C ATOM 762 CD ARG A 44 -3.225 6.787 10.611 1.00 0.00 C ATOM 763 NE ARG A 44 -2.290 6.784 11.735 1.00 0.00 N ATOM 764 CZ ARG A 44 -2.634 6.495 12.987 1.00 0.00 C ATOM 765 NH1 ARG A 44 -3.883 6.185 13.282 1.00 0.00 N ATOM 766 NH2 ARG A 44 -1.719 6.535 13.944 1.00 0.00 N ATOM 0 H ARG A 44 -0.124 3.939 8.100 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.091 6.835 8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.152 5.296 7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.872 4.952 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.847 7.810 9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.258 7.176 8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.946 7.593 10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.788 5.853 10.607 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.315 7.018 11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.591 6.166 12.548 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.140 5.964 14.244 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.756 6.786 13.719 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.977 6.314 14.906 1.00 0.00 H new ATOM 780 N ASN A 45 1.193 5.241 10.559 1.00 0.00 N ATOM 781 CA ASN A 45 1.852 5.414 11.849 1.00 0.00 C ATOM 782 C ASN A 45 2.998 6.400 11.749 1.00 0.00 C ATOM 783 O ASN A 45 3.291 7.116 12.706 1.00 0.00 O ATOM 784 CB ASN A 45 2.349 4.083 12.398 1.00 0.00 C ATOM 785 CG ASN A 45 1.635 3.710 13.683 1.00 0.00 C ATOM 786 OD1 ASN A 45 1.805 4.352 14.711 1.00 0.00 O ATOM 787 ND2 ASN A 45 0.825 2.667 13.629 1.00 0.00 N ATOM 0 H ASN A 45 1.369 4.345 10.104 1.00 0.00 H new ATOM 0 HA ASN A 45 1.112 5.815 12.541 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.194 3.301 11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.422 4.141 12.581 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.316 2.373 14.463 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.709 2.156 12.754 1.00 0.00 H new ATOM 794 N GLU A 46 3.635 6.450 10.584 1.00 0.00 N ATOM 795 CA GLU A 46 4.737 7.378 10.370 1.00 0.00 C ATOM 796 C GLU A 46 4.287 8.819 10.644 1.00 0.00 C ATOM 797 O GLU A 46 3.162 9.206 10.312 1.00 0.00 O ATOM 798 CB GLU A 46 5.296 7.227 8.962 1.00 0.00 C ATOM 799 CG GLU A 46 6.059 5.924 8.766 1.00 0.00 C ATOM 800 CD GLU A 46 7.153 5.740 9.803 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.982 6.659 9.969 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.198 4.674 10.450 1.00 0.00 O ATOM 0 H GLU A 46 3.409 5.864 9.780 1.00 0.00 H new ATOM 0 HA GLU A 46 5.536 7.140 11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.477 7.275 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.958 8.066 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.364 5.086 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.499 5.909 7.769 1.00 0.00 H new ATOM 809 N PRO A 47 5.140 9.610 11.314 1.00 0.00 N ATOM 810 CA PRO A 47 4.820 10.991 11.712 1.00 0.00 C ATOM 811 C PRO A 47 4.700 12.005 10.567 1.00 0.00 C ATOM 812 O PRO A 47 3.968 12.991 10.699 1.00 0.00 O ATOM 813 CB PRO A 47 5.990 11.379 12.628 1.00 0.00 C ATOM 814 CG PRO A 47 6.641 10.091 12.998 1.00 0.00 C ATOM 815 CD PRO A 47 6.470 9.209 11.803 1.00 0.00 C ATOM 0 HA PRO A 47 3.832 11.018 12.173 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.689 12.040 12.115 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.638 11.911 13.512 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.695 10.236 13.233 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.175 9.653 13.881 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.247 9.377 11.057 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.506 8.152 12.067 1.00 0.00 H new ATOM 823 N THR A 48 5.406 11.803 9.462 1.00 0.00 N ATOM 824 CA THR A 48 5.337 12.755 8.362 1.00 0.00 C ATOM 825 C THR A 48 5.335 12.033 7.034 1.00 0.00 C ATOM 826 O THR A 48 5.605 10.837 6.986 1.00 0.00 O ATOM 827 CB THR A 48 6.545 13.711 8.384 1.00 0.00 C ATOM 828 OG1 THR A 48 7.751 12.934 8.415 1.00 0.00 O ATOM 829 CG2 THR A 48 6.498 14.643 9.588 1.00 0.00 C ATOM 0 H THR A 48 6.021 11.005 9.305 1.00 0.00 H new ATOM 0 HA THR A 48 4.414 13.323 8.483 1.00 0.00 H new ATOM 0 HB THR A 48 6.516 14.330 7.487 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.526 13.533 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.365 15.303 9.571 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.587 15.240 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.508 14.054 10.505 1.00 0.00 H new ATOM 837 N GLN A 49 5.072 12.777 5.954 1.00 0.00 N ATOM 838 CA GLN A 49 5.075 12.222 4.606 1.00 0.00 C ATOM 839 C GLN A 49 6.400 11.514 4.335 1.00 0.00 C ATOM 840 O GLN A 49 6.475 10.643 3.472 1.00 0.00 O ATOM 841 CB GLN A 49 4.863 13.332 3.572 1.00 0.00 C ATOM 842 CG GLN A 49 4.844 12.825 2.137 1.00 0.00 C ATOM 843 CD GLN A 49 5.194 13.899 1.131 1.00 0.00 C ATOM 844 OE1 GLN A 49 4.477 14.889 0.981 1.00 0.00 O ATOM 845 NE2 GLN A 49 6.309 13.710 0.437 1.00 0.00 N ATOM 0 H GLN A 49 4.853 13.772 5.994 1.00 0.00 H new ATOM 0 HA GLN A 49 4.260 11.503 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.922 13.840 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.656 14.073 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.548 11.999 2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.854 12.429 1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.872 12.874 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.603 14.400 -0.254 1.00 0.00 H new ATOM 854 N GLN A 50 7.419 11.888 5.117 1.00 0.00 N ATOM 855 CA GLN A 50 8.755 11.313 5.037 1.00 0.00 C ATOM 856 C GLN A 50 8.679 9.814 4.826 1.00 0.00 C ATOM 857 O GLN A 50 8.800 9.324 3.700 1.00 0.00 O ATOM 858 CB GLN A 50 9.525 11.597 6.335 1.00 0.00 C ATOM 859 CG GLN A 50 10.982 11.159 6.302 1.00 0.00 C ATOM 860 CD GLN A 50 11.488 10.686 7.654 1.00 0.00 C ATOM 861 OE1 GLN A 50 12.671 10.366 7.802 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.604 10.611 8.640 1.00 0.00 N ATOM 0 H GLN A 50 7.331 12.610 5.832 1.00 0.00 H new ATOM 0 HA GLN A 50 9.272 11.768 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.483 12.666 6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.023 11.092 7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.098 10.355 5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.598 11.990 5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.635 10.885 8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.893 10.280 9.560 1.00 0.00 H new ATOM 871 N GLN A 51 8.457 9.090 5.908 1.00 0.00 N ATOM 872 CA GLN A 51 8.352 7.654 5.823 1.00 0.00 C ATOM 873 C GLN A 51 6.905 7.237 5.641 1.00 0.00 C ATOM 874 O GLN A 51 6.627 6.080 5.386 1.00 0.00 O ATOM 875 CB GLN A 51 8.993 6.984 7.036 1.00 0.00 C ATOM 876 CG GLN A 51 10.505 7.175 7.088 1.00 0.00 C ATOM 877 CD GLN A 51 11.191 6.337 8.152 1.00 0.00 C ATOM 878 OE1 GLN A 51 12.415 6.221 8.167 1.00 0.00 O ATOM 879 NE2 GLN A 51 10.423 5.787 9.079 1.00 0.00 N ATOM 0 H GLN A 51 8.347 9.474 6.847 1.00 0.00 H new ATOM 0 HA GLN A 51 8.904 7.317 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.549 7.389 7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.767 5.918 7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.927 6.926 6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.723 8.227 7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.410 5.903 9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.844 5.247 9.836 1.00 0.00 H new ATOM 888 N ARG A 52 5.983 8.200 5.732 1.00 0.00 N ATOM 889 CA ARG A 52 4.563 7.899 5.522 1.00 0.00 C ATOM 890 C ARG A 52 4.358 7.571 4.047 1.00 0.00 C ATOM 891 O ARG A 52 3.941 6.465 3.699 1.00 0.00 O ATOM 892 CB ARG A 52 3.669 9.072 5.945 1.00 0.00 C ATOM 893 CG ARG A 52 2.182 8.773 5.905 1.00 0.00 C ATOM 894 CD ARG A 52 1.363 9.930 6.457 1.00 0.00 C ATOM 895 NE ARG A 52 1.618 10.152 7.882 1.00 0.00 N ATOM 896 CZ ARG A 52 1.059 11.123 8.598 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.236 11.984 8.029 1.00 0.00 N ATOM 898 NH2 ARG A 52 1.329 11.235 9.888 1.00 0.00 N ATOM 0 H ARG A 52 6.188 9.176 5.945 1.00 0.00 H new ATOM 0 HA ARG A 52 4.280 7.048 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.940 9.373 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.874 9.922 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.879 8.569 4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.976 7.872 6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.597 10.838 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.303 9.728 6.306 1.00 0.00 H new ATOM 0 HE ARG A 52 2.265 9.522 8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.025 11.907 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.189 12.726 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.967 10.576 10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.900 11.980 10.436 1.00 0.00 H new ATOM 912 N ALA A 53 4.717 8.517 3.183 1.00 0.00 N ATOM 913 CA ALA A 53 4.632 8.301 1.746 1.00 0.00 C ATOM 914 C ALA A 53 5.640 7.244 1.353 1.00 0.00 C ATOM 915 O ALA A 53 5.312 6.330 0.607 1.00 0.00 O ATOM 916 CB ALA A 53 4.881 9.592 0.977 1.00 0.00 C ATOM 0 H ALA A 53 5.068 9.436 3.454 1.00 0.00 H new ATOM 0 HA ALA A 53 3.626 7.965 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.811 9.397 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.135 10.334 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.876 9.970 1.212 1.00 0.00 H new ATOM 922 N ALA A 54 6.862 7.358 1.883 1.00 0.00 N ATOM 923 CA ALA A 54 7.909 6.388 1.588 1.00 0.00 C ATOM 924 C ALA A 54 7.460 4.971 1.925 1.00 0.00 C ATOM 925 O ALA A 54 7.834 4.033 1.239 1.00 0.00 O ATOM 926 CB ALA A 54 9.197 6.720 2.330 1.00 0.00 C ATOM 0 H ALA A 54 7.144 8.108 2.514 1.00 0.00 H new ATOM 0 HA ALA A 54 8.106 6.442 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.958 5.978 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.546 7.708 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.011 6.712 3.404 1.00 0.00 H new ATOM 932 N MET A 55 6.653 4.814 2.975 1.00 0.00 N ATOM 933 CA MET A 55 6.171 3.502 3.359 1.00 0.00 C ATOM 934 C MET A 55 5.224 2.956 2.297 1.00 0.00 C ATOM 935 O MET A 55 5.332 1.800 1.904 1.00 0.00 O ATOM 936 CB MET A 55 5.487 3.580 4.726 1.00 0.00 C ATOM 937 CG MET A 55 4.956 2.244 5.218 1.00 0.00 C ATOM 938 SD MET A 55 6.246 0.987 5.298 1.00 0.00 S ATOM 939 CE MET A 55 5.277 -0.468 5.679 1.00 0.00 C ATOM 0 H MET A 55 6.325 5.578 3.566 1.00 0.00 H new ATOM 0 HA MET A 55 7.015 2.816 3.438 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.196 3.971 5.456 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.663 4.291 4.670 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.514 2.372 6.206 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.161 1.904 4.555 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.621 -0.899 6.619 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.226 -0.192 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.392 -1.201 4.881 1.00 0.00 H new ATOM 949 N LEU A 56 4.325 3.805 1.812 1.00 0.00 N ATOM 950 CA LEU A 56 3.384 3.407 0.766 1.00 0.00 C ATOM 951 C LEU A 56 4.155 2.997 -0.496 1.00 0.00 C ATOM 952 O LEU A 56 3.971 1.898 -1.033 1.00 0.00 O ATOM 953 CB LEU A 56 2.444 4.572 0.439 1.00 0.00 C ATOM 954 CG LEU A 56 1.260 4.221 -0.462 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.179 3.503 0.327 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.706 5.470 -1.122 1.00 0.00 C ATOM 0 H LEU A 56 4.226 4.771 2.124 1.00 0.00 H new ATOM 0 HA LEU A 56 2.795 2.561 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.060 4.981 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.023 5.361 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 56 1.611 3.548 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.654 3.262 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.586 2.583 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.171 4.147 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.136 5.201 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.372 6.169 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.484 5.938 -1.726 1.00 0.00 H new ATOM 968 N ILE A 57 5.034 3.892 -0.942 1.00 0.00 N ATOM 969 CA ILE A 57 5.866 3.664 -2.127 1.00 0.00 C ATOM 970 C ILE A 57 6.777 2.446 -1.917 1.00 0.00 C ATOM 971 O ILE A 57 7.107 1.741 -2.869 1.00 0.00 O ATOM 972 CB ILE A 57 6.731 4.918 -2.437 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.924 6.189 -2.193 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.234 4.921 -3.880 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.769 7.436 -2.144 1.00 0.00 C ATOM 0 H ILE A 57 5.191 4.795 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 57 5.206 3.472 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 57 7.593 4.885 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.180 6.295 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.381 6.090 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.834 5.814 -4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.844 4.035 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.384 4.916 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.130 8.302 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.496 7.351 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.292 7.558 -3.092 1.00 0.00 H new ATOM 987 N LYS A 58 7.167 2.200 -0.662 1.00 0.00 N ATOM 988 CA LYS A 58 8.029 1.066 -0.326 1.00 0.00 C ATOM 989 C LYS A 58 7.265 -0.258 -0.396 1.00 0.00 C ATOM 990 O LYS A 58 7.816 -1.264 -0.849 1.00 0.00 O ATOM 991 CB LYS A 58 8.656 1.238 1.063 1.00 0.00 C ATOM 992 CG LYS A 58 9.586 0.106 1.461 1.00 0.00 C ATOM 993 CD LYS A 58 10.346 0.421 2.738 1.00 0.00 C ATOM 994 CE LYS A 58 9.423 0.517 3.944 1.00 0.00 C ATOM 995 NZ LYS A 58 10.169 0.872 5.182 1.00 0.00 N ATOM 0 H LYS A 58 6.898 2.773 0.138 1.00 0.00 H new ATOM 0 HA LYS A 58 8.828 1.040 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.210 2.176 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.860 1.319 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.008 -0.808 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.294 -0.083 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.094 -0.352 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.883 1.362 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.654 1.266 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.912 -0.435 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.507 0.928 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.886 0.144 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.636 1.792 5.054 1.00 0.00 H new ATOM 1009 N MET A 59 5.998 -0.264 0.038 1.00 0.00 N ATOM 1010 CA MET A 59 5.195 -1.491 -0.016 1.00 0.00 C ATOM 1011 C MET A 59 5.139 -1.993 -1.444 1.00 0.00 C ATOM 1012 O MET A 59 5.471 -3.138 -1.732 1.00 0.00 O ATOM 1013 CB MET A 59 3.756 -1.263 0.447 1.00 0.00 C ATOM 1014 CG MET A 59 3.601 -0.643 1.815 1.00 0.00 C ATOM 1015 SD MET A 59 1.873 -0.316 2.188 1.00 0.00 S ATOM 1016 CE MET A 59 1.300 0.306 0.606 1.00 0.00 C ATOM 0 H MET A 59 5.516 0.548 0.422 1.00 0.00 H new ATOM 0 HA MET A 59 5.670 -2.212 0.649 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.256 -0.624 -0.281 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.235 -2.221 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.019 -1.310 2.569 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.168 0.287 1.862 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.401 0.904 0.754 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.076 0.924 0.155 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.074 -0.532 -0.054 1.00 0.00 H new ATOM 1026 N ILE A 60 4.713 -1.102 -2.332 1.00 0.00 N ATOM 1027 CA ILE A 60 4.604 -1.409 -3.752 1.00 0.00 C ATOM 1028 C ILE A 60 5.968 -1.815 -4.321 1.00 0.00 C ATOM 1029 O ILE A 60 6.065 -2.759 -5.104 1.00 0.00 O ATOM 1030 CB ILE A 60 4.012 -0.198 -4.535 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.490 -0.103 -4.339 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.325 -0.282 -6.017 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.063 0.387 -2.973 1.00 0.00 C ATOM 0 H ILE A 60 4.435 -0.151 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 60 3.922 -2.251 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 60 4.482 0.699 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.080 0.566 -5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.052 -1.086 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.896 0.579 -6.529 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.405 -0.288 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.899 -1.197 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.975 0.423 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.439 -0.293 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.467 1.385 -2.802 1.00 0.00 H new ATOM 1045 N LEU A 61 7.015 -1.113 -3.898 1.00 0.00 N ATOM 1046 CA LEU A 61 8.378 -1.402 -4.342 1.00 0.00 C ATOM 1047 C LEU A 61 8.691 -2.896 -4.222 1.00 0.00 C ATOM 1048 O LEU A 61 9.213 -3.504 -5.154 1.00 0.00 O ATOM 1049 CB LEU A 61 9.383 -0.567 -3.529 1.00 0.00 C ATOM 1050 CG LEU A 61 10.827 -0.528 -4.051 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.533 0.717 -3.529 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.599 -1.779 -3.634 1.00 0.00 C ATOM 0 H LEU A 61 6.946 -0.334 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 61 8.464 -1.130 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.012 0.457 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.400 -0.952 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 61 10.795 -0.497 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.557 0.739 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.003 1.606 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.545 0.698 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.618 -1.723 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.624 -1.845 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.107 -2.663 -4.040 1.00 0.00 H new ATOM 1064 N LYS A 62 8.365 -3.488 -3.079 1.00 0.00 N ATOM 1065 CA LYS A 62 8.625 -4.903 -2.871 1.00 0.00 C ATOM 1066 C LYS A 62 7.323 -5.720 -2.815 1.00 0.00 C ATOM 1067 O LYS A 62 7.189 -6.647 -2.016 1.00 0.00 O ATOM 1068 CB LYS A 62 9.448 -5.109 -1.596 1.00 0.00 C ATOM 1069 CG LYS A 62 10.136 -6.470 -1.537 1.00 0.00 C ATOM 1070 CD LYS A 62 10.833 -6.707 -0.204 1.00 0.00 C ATOM 1071 CE LYS A 62 11.931 -5.691 0.050 1.00 0.00 C ATOM 1072 NZ LYS A 62 12.818 -6.101 1.173 1.00 0.00 N ATOM 0 H LYS A 62 7.925 -3.014 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 62 9.199 -5.265 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.202 -4.325 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.796 -5.001 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.399 -7.255 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.865 -6.541 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.101 -6.659 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.257 -7.711 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.526 -5.565 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.484 -4.723 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.555 -5.381 1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.256 -6.196 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.264 -7.013 0.948 1.00 0.00 H new ATOM 1086 N LYS A 63 6.369 -5.396 -3.678 1.00 0.00 N ATOM 1087 CA LYS A 63 5.124 -6.132 -3.721 1.00 0.00 C ATOM 1088 C LYS A 63 4.880 -6.603 -5.153 1.00 0.00 C ATOM 1089 O LYS A 63 5.789 -6.591 -5.979 1.00 0.00 O ATOM 1090 CB LYS A 63 3.970 -5.268 -3.210 1.00 0.00 C ATOM 1091 CG LYS A 63 2.969 -6.025 -2.337 1.00 0.00 C ATOM 1092 CD LYS A 63 2.027 -5.075 -1.614 1.00 0.00 C ATOM 1093 CE LYS A 63 0.866 -5.814 -0.940 1.00 0.00 C ATOM 1094 NZ LYS A 63 1.295 -6.606 0.244 1.00 0.00 N ATOM 0 H LYS A 63 6.437 -4.633 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 63 5.185 -7.003 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.378 -4.435 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.443 -4.841 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.391 -6.711 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.507 -6.631 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.584 -4.515 -0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.630 -4.349 -2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.111 -5.091 -0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.395 -6.479 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.470 -7.084 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.996 -7.317 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.720 -5.972 0.950 1.00 0.00 H new ATOM 1108 N ASP A 64 3.672 -7.019 -5.450 1.00 0.00 N ATOM 1109 CA ASP A 64 3.345 -7.505 -6.788 1.00 0.00 C ATOM 1110 C ASP A 64 2.600 -6.465 -7.595 1.00 0.00 C ATOM 1111 O ASP A 64 2.110 -5.471 -7.052 1.00 0.00 O ATOM 1112 CB ASP A 64 2.531 -8.801 -6.704 1.00 0.00 C ATOM 1113 CG ASP A 64 1.387 -8.708 -5.720 1.00 0.00 C ATOM 1114 OD1 ASP A 64 0.625 -7.729 -5.782 1.00 0.00 O ATOM 1115 OD2 ASP A 64 1.250 -9.623 -4.878 1.00 0.00 O ATOM 0 H ASP A 64 2.894 -7.035 -4.791 1.00 0.00 H new ATOM 0 HA ASP A 64 4.284 -7.710 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.137 -9.043 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.189 -9.620 -6.414 1.00 0.00 H new ATOM 1120 N ASN A 65 2.527 -6.697 -8.901 1.00 0.00 N ATOM 1121 CA ASN A 65 1.853 -5.776 -9.797 1.00 0.00 C ATOM 1122 C ASN A 65 0.365 -5.714 -9.493 1.00 0.00 C ATOM 1123 O ASN A 65 -0.299 -4.755 -9.859 1.00 0.00 O ATOM 1124 CB ASN A 65 2.111 -6.124 -11.271 1.00 0.00 C ATOM 1125 CG ASN A 65 1.562 -7.474 -11.697 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.353 -7.676 -11.771 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.454 -8.409 -11.981 1.00 0.00 N ATOM 0 H ASN A 65 2.927 -7.516 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 65 2.272 -4.784 -9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.669 -5.350 -11.898 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.185 -6.107 -11.454 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.145 -9.336 -12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.450 -8.203 -11.908 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.147 -6.710 -8.782 1.00 0.00 N ATOM 1135 CA ASP A 66 -1.550 -6.713 -8.397 1.00 0.00 C ATOM 1136 C ASP A 66 -1.822 -5.524 -7.484 1.00 0.00 C ATOM 1137 O ASP A 66 -2.785 -4.784 -7.687 1.00 0.00 O ATOM 1138 CB ASP A 66 -1.942 -8.016 -7.706 1.00 0.00 C ATOM 1139 CG ASP A 66 -2.281 -9.119 -8.687 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -3.170 -8.909 -9.537 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -1.673 -10.209 -8.597 1.00 0.00 O ATOM 0 H ASP A 66 0.384 -7.520 -8.463 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.156 -6.631 -9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.123 -8.344 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.800 -7.835 -7.058 1.00 0.00 H new ATOM 1146 N SER A 67 -0.945 -5.318 -6.499 1.00 0.00 N ATOM 1147 CA SER A 67 -1.091 -4.179 -5.594 1.00 0.00 C ATOM 1148 C SER A 67 -0.767 -2.902 -6.332 1.00 0.00 C ATOM 1149 O SER A 67 -1.248 -1.831 -5.990 1.00 0.00 O ATOM 1150 CB SER A 67 -0.148 -4.273 -4.409 1.00 0.00 C ATOM 1151 OG SER A 67 0.201 -5.619 -4.116 1.00 0.00 O ATOM 0 H SER A 67 -0.140 -5.915 -6.310 1.00 0.00 H new ATOM 0 HA SER A 67 -2.120 -4.184 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.756 -3.701 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.617 -3.821 -3.535 1.00 0.00 H new ATOM 0 HG SER A 67 -0.522 -6.041 -3.607 1.00 0.00 H new ATOM 1157 N TYR A 68 0.070 -3.032 -7.344 1.00 0.00 N ATOM 1158 CA TYR A 68 0.480 -1.895 -8.135 1.00 0.00 C ATOM 1159 C TYR A 68 -0.697 -1.376 -8.937 1.00 0.00 C ATOM 1160 O TYR A 68 -0.899 -0.170 -9.030 1.00 0.00 O ATOM 1161 CB TYR A 68 1.635 -2.280 -9.049 1.00 0.00 C ATOM 1162 CG TYR A 68 2.225 -1.128 -9.816 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.378 0.126 -9.240 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.640 -1.309 -11.118 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.933 1.169 -9.956 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.191 -0.277 -11.837 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.337 0.955 -11.261 1.00 0.00 C ATOM 1168 OH TYR A 68 3.897 1.980 -11.987 1.00 0.00 O ATOM 0 H TYR A 68 0.479 -3.920 -7.636 1.00 0.00 H new ATOM 0 HA TYR A 68 0.823 -1.101 -7.472 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.419 -2.743 -8.450 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.288 -3.033 -9.756 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.060 0.288 -8.221 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.530 -2.279 -11.580 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.050 2.142 -9.501 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.509 -0.438 -12.857 1.00 0.00 H new ATOM 0 HH TYR A 68 4.793 1.718 -12.285 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.496 -2.287 -9.483 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.671 -1.876 -10.233 1.00 0.00 C ATOM 1180 C VAL A 69 -3.693 -1.304 -9.252 1.00 0.00 C ATOM 1181 O VAL A 69 -4.458 -0.406 -9.585 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.306 -3.022 -11.054 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.385 -2.474 -11.972 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.250 -3.762 -11.861 1.00 0.00 C ATOM 0 H VAL A 69 -1.354 -3.295 -9.421 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.358 -1.125 -10.958 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.760 -3.730 -10.360 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.825 -3.291 -12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.159 -1.991 -11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.947 -1.747 -12.655 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.722 -4.563 -12.430 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.764 -3.068 -12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.507 -4.186 -11.186 1.00 0.00 H new ATOM 1194 N SER A 70 -3.650 -1.792 -8.011 1.00 0.00 N ATOM 1195 CA SER A 70 -4.529 -1.280 -6.965 1.00 0.00 C ATOM 1196 C SER A 70 -4.077 0.135 -6.615 1.00 0.00 C ATOM 1197 O SER A 70 -4.878 1.069 -6.630 1.00 0.00 O ATOM 1198 CB SER A 70 -4.503 -2.179 -5.726 1.00 0.00 C ATOM 1199 OG SER A 70 -5.351 -1.681 -4.698 1.00 0.00 O ATOM 0 H SER A 70 -3.020 -2.535 -7.710 1.00 0.00 H new ATOM 0 HA SER A 70 -5.557 -1.268 -7.326 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.816 -3.186 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.482 -2.254 -5.352 1.00 0.00 H new ATOM 0 HG SER A 70 -6.213 -1.419 -5.083 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.773 0.297 -6.346 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.210 1.621 -6.054 1.00 0.00 C ATOM 1207 C PHE A 71 -2.493 2.549 -7.243 1.00 0.00 C ATOM 1208 O PHE A 71 -2.830 3.718 -7.072 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.700 1.508 -5.767 1.00 0.00 C ATOM 1210 CG PHE A 71 0.032 2.818 -5.693 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.410 3.837 -4.865 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.170 3.027 -6.455 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.268 5.038 -4.797 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.854 4.225 -6.391 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.399 5.235 -5.560 1.00 0.00 C ATOM 0 H PHE A 71 -2.095 -0.465 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.676 2.040 -5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.563 0.979 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.242 0.897 -6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.296 3.690 -4.265 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.527 2.243 -7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.088 5.823 -4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.742 4.374 -6.988 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.929 6.175 -5.510 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.410 1.985 -8.444 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.708 2.707 -9.682 1.00 0.00 C ATOM 1227 C TYR A 72 -4.157 3.191 -9.655 1.00 0.00 C ATOM 1228 O TYR A 72 -4.452 4.361 -9.886 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.503 1.767 -10.873 1.00 0.00 C ATOM 1230 CG TYR A 72 -3.077 2.256 -12.189 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.489 3.301 -12.882 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.209 1.665 -12.733 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -3.014 3.747 -14.083 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.739 2.102 -13.929 1.00 0.00 C ATOM 1235 CZ TYR A 72 -4.140 3.143 -14.601 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.673 3.583 -15.789 1.00 0.00 O ATOM 0 H TYR A 72 -2.134 1.014 -8.589 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.044 3.566 -9.775 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.434 1.598 -11.002 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.952 0.803 -10.635 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.607 3.776 -12.479 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.684 0.848 -12.210 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.544 4.563 -14.611 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.620 1.629 -14.336 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.464 3.048 -16.011 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.045 2.256 -9.359 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.478 2.518 -9.275 1.00 0.00 C ATOM 1248 C ASN A 73 -6.776 3.576 -8.213 1.00 0.00 C ATOM 1249 O ASN A 73 -7.669 4.408 -8.374 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.210 1.207 -8.965 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.693 1.391 -8.704 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.421 1.948 -9.524 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.155 0.901 -7.564 1.00 0.00 N ATOM 0 H ASN A 73 -4.793 1.286 -9.168 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.830 2.908 -10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.078 0.520 -9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.751 0.740 -8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.147 0.979 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.519 0.446 -6.910 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.006 3.549 -7.131 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.163 4.507 -6.043 1.00 0.00 C ATOM 1262 C ALA A 74 -5.803 5.917 -6.503 1.00 0.00 C ATOM 1263 O ALA A 74 -6.425 6.894 -6.086 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.309 4.099 -4.855 1.00 0.00 C ATOM 0 H ALA A 74 -5.261 2.868 -6.984 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.209 4.509 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.436 4.823 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.616 3.113 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.261 4.068 -5.154 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.815 6.011 -7.384 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.390 7.293 -7.929 1.00 0.00 C ATOM 1272 C LEU A 75 -5.518 7.876 -8.779 1.00 0.00 C ATOM 1273 O LEU A 75 -5.739 9.090 -8.807 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.122 7.113 -8.771 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.906 6.575 -8.014 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.875 6.016 -8.977 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.275 7.666 -7.170 1.00 0.00 C ATOM 0 H LEU A 75 -4.291 5.210 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.164 7.980 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.346 6.435 -9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.859 8.074 -9.212 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.249 5.773 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.020 5.639 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.318 5.203 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.546 6.803 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.412 7.263 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.955 8.485 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.004 8.035 -6.449 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.245 6.990 -9.451 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.367 7.389 -10.286 1.00 0.00 C ATOM 1291 C LEU A 76 -8.589 7.689 -9.426 1.00 0.00 C ATOM 1292 O LEU A 76 -9.531 8.342 -9.870 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.713 6.299 -11.297 1.00 0.00 C ATOM 1294 CG LEU A 76 -7.007 6.408 -12.647 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.505 6.272 -12.501 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.546 5.367 -13.604 1.00 0.00 C ATOM 0 H LEU A 76 -6.074 5.985 -9.432 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.075 8.289 -10.827 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.473 5.331 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.790 6.314 -11.467 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.209 7.399 -13.053 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.035 6.354 -13.481 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.130 7.062 -11.851 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.268 5.301 -12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.035 5.455 -14.563 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.377 4.372 -13.192 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.615 5.523 -13.747 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.551 7.218 -8.187 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.629 7.441 -7.250 1.00 0.00 C ATOM 1310 C HIS A 77 -9.579 8.876 -6.749 1.00 0.00 C ATOM 1311 O HIS A 77 -10.610 9.496 -6.502 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.516 6.444 -6.098 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.481 5.304 -6.205 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.850 5.462 -6.192 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.265 3.978 -6.330 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.425 4.282 -6.311 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.486 3.369 -6.398 1.00 0.00 N ATOM 0 H HIS A 77 -7.774 6.674 -7.811 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.590 7.287 -7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.500 6.050 -6.066 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.685 6.967 -5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.303 3.488 -6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.489 4.098 -6.333 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.643 2.366 -6.500 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.365 9.406 -6.641 1.00 0.00 N ATOM 1327 CA GLU A 78 -8.165 10.784 -6.211 1.00 0.00 C ATOM 1328 C GLU A 78 -7.769 11.657 -7.401 1.00 0.00 C ATOM 1329 O GLU A 78 -8.324 11.506 -8.490 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.129 10.866 -5.078 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.561 10.141 -3.818 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.885 10.648 -3.269 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.374 11.697 -3.737 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.444 10.001 -2.357 1.00 0.00 O ATOM 0 H GLU A 78 -7.503 8.900 -6.846 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.106 11.163 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.186 10.445 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.942 11.913 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.645 9.075 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.790 10.255 -3.056 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.831 12.572 -7.204 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.428 13.448 -8.288 1.00 0.00 C ATOM 1343 C GLY A 79 -4.995 13.236 -8.739 1.00 0.00 C ATOM 1344 O GLY A 79 -4.270 14.200 -8.974 1.00 0.00 O ATOM 0 H GLY A 79 -6.344 12.724 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.094 13.292 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.551 14.484 -7.972 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.580 11.976 -8.861 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.220 11.661 -9.291 1.00 0.00 C ATOM 1350 C TYR A 80 -3.243 10.650 -10.431 1.00 0.00 C ATOM 1351 O TYR A 80 -2.447 9.708 -10.484 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.387 11.154 -8.113 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.266 12.184 -7.014 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.366 13.234 -7.122 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.061 12.120 -5.878 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.258 14.187 -6.132 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -2.956 13.069 -4.879 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.055 14.101 -5.012 1.00 0.00 C ATOM 1359 OH TYR A 80 -1.947 15.050 -4.021 1.00 0.00 O ATOM 0 H TYR A 80 -5.163 11.161 -8.669 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.751 12.572 -9.661 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.842 10.249 -7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.392 10.882 -8.465 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.738 13.306 -7.998 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.773 11.315 -5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.552 14.998 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.578 13.001 -3.998 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.580 14.845 -3.301 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.173 10.882 -11.345 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.360 10.043 -12.516 1.00 0.00 C ATOM 1371 C LYS A 81 -3.248 10.288 -13.538 1.00 0.00 C ATOM 1372 O LYS A 81 -3.087 9.528 -14.490 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.733 10.342 -13.125 1.00 0.00 C ATOM 1374 CG LYS A 81 -6.863 10.272 -12.108 1.00 0.00 C ATOM 1375 CD LYS A 81 -8.153 10.883 -12.635 1.00 0.00 C ATOM 1376 CE LYS A 81 -9.191 10.974 -11.525 1.00 0.00 C ATOM 1377 NZ LYS A 81 -10.422 11.698 -11.945 1.00 0.00 N ATOM 0 H LYS A 81 -4.824 11.665 -11.293 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.314 8.994 -12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.717 11.335 -13.574 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.930 9.632 -13.928 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.041 9.231 -11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.563 10.792 -11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.954 11.876 -13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.541 10.278 -13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.459 9.968 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.753 11.480 -10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.094 11.730 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.175 12.667 -12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.859 11.203 -12.748 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.481 11.348 -13.329 1.00 0.00 N ATOM 1392 CA ASP A 82 -1.378 11.686 -14.225 1.00 0.00 C ATOM 1393 C ASP A 82 -0.151 10.852 -13.893 1.00 0.00 C ATOM 1394 O ASP A 82 0.478 10.288 -14.789 1.00 0.00 O ATOM 1395 CB ASP A 82 -1.065 13.174 -14.147 1.00 0.00 C ATOM 1396 CG ASP A 82 -0.157 13.635 -15.260 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -0.484 13.384 -16.438 1.00 0.00 O ATOM 1398 OD2 ASP A 82 0.866 14.279 -14.961 1.00 0.00 O ATOM 0 H ASP A 82 -2.600 11.991 -12.547 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.676 11.457 -15.248 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.996 13.740 -14.185 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.597 13.393 -13.187 1.00 0.00 H new ATOM 1403 N LEU A 83 0.162 10.733 -12.606 1.00 0.00 N ATOM 1404 CA LEU A 83 1.292 9.909 -12.176 1.00 0.00 C ATOM 1405 C LEU A 83 0.995 8.485 -12.590 1.00 0.00 C ATOM 1406 O LEU A 83 1.834 7.797 -13.160 1.00 0.00 O ATOM 1407 CB LEU A 83 1.478 9.988 -10.655 1.00 0.00 C ATOM 1408 CG LEU A 83 2.917 9.824 -10.122 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.571 8.517 -10.565 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.788 10.996 -10.544 1.00 0.00 C ATOM 0 H LEU A 83 -0.344 11.191 -11.848 1.00 0.00 H new ATOM 0 HA LEU A 83 2.214 10.264 -12.637 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.097 10.951 -10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.856 9.220 -10.196 1.00 0.00 H new ATOM 0 HG LEU A 83 2.835 9.798 -9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.581 8.460 -10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.984 7.674 -10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.615 8.483 -11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.797 10.857 -10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.822 11.051 -11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.371 11.921 -10.147 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.233 8.068 -12.329 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.693 6.736 -12.693 1.00 0.00 C ATOM 1424 C ALA A 84 -0.671 6.540 -14.209 1.00 0.00 C ATOM 1425 O ALA A 84 -0.439 5.437 -14.684 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.086 6.507 -12.150 1.00 0.00 C ATOM 0 H ALA A 84 -0.937 8.639 -11.861 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.014 6.005 -12.253 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.424 5.508 -12.426 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.073 6.598 -11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.766 7.249 -12.568 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.878 7.617 -14.964 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.838 7.540 -16.425 1.00 0.00 C ATOM 1434 C ALA A 85 0.578 7.223 -16.856 1.00 0.00 C ATOM 1435 O ALA A 85 0.799 6.443 -17.779 1.00 0.00 O ATOM 1436 CB ALA A 85 -1.329 8.832 -17.062 1.00 0.00 C ATOM 0 H ALA A 85 -1.074 8.547 -14.593 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.507 6.749 -16.762 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.287 8.742 -18.147 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.357 9.022 -16.754 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.696 9.659 -16.742 1.00 0.00 H new ATOM 1442 N LEU A 86 1.536 7.790 -16.135 1.00 0.00 N ATOM 1443 CA LEU A 86 2.948 7.525 -16.392 1.00 0.00 C ATOM 1444 C LEU A 86 3.248 6.044 -16.181 1.00 0.00 C ATOM 1445 O LEU A 86 4.177 5.490 -16.768 1.00 0.00 O ATOM 1446 CB LEU A 86 3.823 8.343 -15.439 1.00 0.00 C ATOM 1447 CG LEU A 86 3.737 9.858 -15.600 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.345 10.559 -14.396 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.443 10.287 -16.867 1.00 0.00 C ATOM 0 H LEU A 86 1.362 8.437 -15.366 1.00 0.00 H new ATOM 0 HA LEU A 86 3.167 7.805 -17.422 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.550 8.089 -14.415 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.861 8.039 -15.577 1.00 0.00 H new ATOM 0 HG LEU A 86 2.686 10.140 -15.668 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.274 11.638 -14.529 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.805 10.269 -13.495 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.392 10.273 -14.299 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.376 11.370 -16.972 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.491 9.992 -16.817 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.972 9.809 -17.726 1.00 0.00 H new ATOM 1461 N LEU A 87 2.463 5.428 -15.302 1.00 0.00 N ATOM 1462 CA LEU A 87 2.628 4.026 -14.944 1.00 0.00 C ATOM 1463 C LEU A 87 1.703 3.121 -15.754 1.00 0.00 C ATOM 1464 O LEU A 87 1.873 1.906 -15.776 1.00 0.00 O ATOM 1465 CB LEU A 87 2.323 3.837 -13.464 1.00 0.00 C ATOM 1466 CG LEU A 87 2.647 5.021 -12.556 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.419 4.647 -11.103 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.078 5.477 -12.764 1.00 0.00 C ATOM 0 H LEU A 87 1.693 5.890 -14.818 1.00 0.00 H new ATOM 0 HA LEU A 87 3.660 3.750 -15.163 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.263 3.604 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.877 2.969 -13.107 1.00 0.00 H new ATOM 0 HG LEU A 87 1.982 5.846 -12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.654 5.500 -10.467 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.376 4.363 -10.960 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.063 3.808 -10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.290 6.321 -12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.758 4.658 -12.532 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.216 5.780 -13.802 1.00 0.00 H new ATOM 1480 N HIS A 88 0.724 3.734 -16.410 1.00 0.00 N ATOM 1481 CA HIS A 88 -0.261 3.025 -17.232 1.00 0.00 C ATOM 1482 C HIS A 88 0.443 2.215 -18.312 1.00 0.00 C ATOM 1483 O HIS A 88 -0.098 1.239 -18.827 1.00 0.00 O ATOM 1484 CB HIS A 88 -1.205 4.049 -17.863 1.00 0.00 C ATOM 1485 CG HIS A 88 -2.523 3.512 -18.344 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -3.415 4.286 -19.054 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -3.110 2.302 -18.201 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -4.497 3.584 -19.317 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -4.344 2.373 -18.814 1.00 0.00 N ATOM 0 H HIS A 88 0.587 4.745 -16.389 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.834 2.337 -16.610 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.399 4.835 -17.133 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.694 4.515 -18.706 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.691 1.441 -17.701 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.364 3.939 -19.854 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.025 1.616 -18.869 1.00 0.00 H new ATOM 1498 N ASP A 89 1.664 2.626 -18.616 1.00 0.00 N ATOM 1499 CA ASP A 89 2.491 1.951 -19.613 1.00 0.00 C ATOM 1500 C ASP A 89 2.948 0.586 -19.089 1.00 0.00 C ATOM 1501 O ASP A 89 3.130 -0.362 -19.853 1.00 0.00 O ATOM 1502 CB ASP A 89 3.696 2.836 -19.958 1.00 0.00 C ATOM 1503 CG ASP A 89 4.632 2.242 -21.002 1.00 0.00 C ATOM 1504 OD1 ASP A 89 5.291 1.222 -20.712 1.00 0.00 O ATOM 1505 OD2 ASP A 89 4.732 2.813 -22.109 1.00 0.00 O ATOM 0 H ASP A 89 2.112 3.434 -18.182 1.00 0.00 H new ATOM 0 HA ASP A 89 1.906 1.784 -20.517 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.333 3.799 -20.318 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.263 3.029 -19.047 1.00 0.00 H new ATOM 1510 N GLY A 90 3.112 0.495 -17.774 1.00 0.00 N ATOM 1511 CA GLY A 90 3.535 -0.750 -17.154 1.00 0.00 C ATOM 1512 C GLY A 90 2.376 -1.544 -16.570 1.00 0.00 C ATOM 1513 O GLY A 90 2.510 -2.741 -16.324 1.00 0.00 O ATOM 0 H GLY A 90 2.959 1.265 -17.122 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.051 -1.361 -17.894 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.253 -0.531 -16.364 1.00 0.00 H new ATOM 1517 N ILE A 91 1.244 -0.880 -16.335 1.00 0.00 N ATOM 1518 CA ILE A 91 0.071 -1.533 -15.764 1.00 0.00 C ATOM 1519 C ILE A 91 -0.546 -2.522 -16.752 1.00 0.00 C ATOM 1520 O ILE A 91 -1.059 -2.130 -17.801 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.005 -0.501 -15.346 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.431 0.507 -14.339 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.224 -1.197 -14.756 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.233 -0.134 -13.139 1.00 0.00 C ATOM 0 H ILE A 91 1.117 0.113 -16.533 1.00 0.00 H new ATOM 0 HA ILE A 91 0.411 -2.071 -14.879 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.315 0.040 -16.240 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.295 1.141 -14.848 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.234 1.157 -13.993 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.966 -0.451 -14.470 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.653 -1.870 -15.498 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.927 -1.769 -13.877 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.613 0.643 -12.475 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.494 -0.745 -12.604 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.059 -0.762 -13.473 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.499 -3.827 -16.427 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.048 -4.875 -17.282 1.00 0.00 C ATOM 1538 C PRO A 92 -2.575 -4.942 -17.198 1.00 0.00 C ATOM 1539 O PRO A 92 -3.270 -5.108 -18.207 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.424 -6.170 -16.722 1.00 0.00 C ATOM 1541 CG PRO A 92 0.552 -5.736 -15.671 1.00 0.00 C ATOM 1542 CD PRO A 92 0.099 -4.384 -15.210 1.00 0.00 C ATOM 0 HA PRO A 92 -0.821 -4.702 -18.334 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.189 -6.821 -16.299 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.075 -6.735 -17.509 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.571 -6.443 -14.842 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.564 -5.691 -16.075 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.623 -4.452 -14.396 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.930 -3.777 -14.850 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.090 -4.793 -15.985 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.524 -4.828 -15.753 1.00 0.00 C ATOM 1552 C VAL A 93 -5.146 -3.468 -16.072 1.00 0.00 C ATOM 1553 O VAL A 93 -5.346 -2.630 -15.191 1.00 0.00 O ATOM 1554 CB VAL A 93 -4.847 -5.228 -14.297 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -6.348 -5.369 -14.084 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -4.135 -6.521 -13.927 1.00 0.00 C ATOM 0 H VAL A 93 -2.531 -4.646 -15.144 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.951 -5.582 -16.415 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.487 -4.432 -13.645 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.544 -5.651 -13.050 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.837 -4.419 -14.300 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.739 -6.138 -14.750 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.375 -6.787 -12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.461 -7.320 -14.593 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.058 -6.384 -14.025 1.00 0.00 H new ATOM 1566 N VAL A 94 -5.455 -3.258 -17.337 1.00 0.00 N ATOM 1567 CA VAL A 94 -6.056 -2.010 -17.780 1.00 0.00 C ATOM 1568 C VAL A 94 -7.566 -2.177 -17.915 1.00 0.00 C ATOM 1569 O VAL A 94 -8.198 -1.618 -18.815 1.00 0.00 O ATOM 1570 CB VAL A 94 -5.459 -1.548 -19.128 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -4.006 -1.143 -18.945 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -5.578 -2.647 -20.181 1.00 0.00 C ATOM 0 H VAL A 94 -5.300 -3.938 -18.081 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.839 -1.248 -17.032 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.024 -0.684 -19.476 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.595 -0.819 -19.901 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.944 -0.325 -18.228 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.435 -1.994 -18.575 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.151 -2.298 -21.121 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.040 -3.533 -19.845 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.629 -2.896 -20.330 1.00 0.00 H new ATOM 1582 N SER A 95 -8.134 -2.940 -16.992 1.00 0.00 N ATOM 1583 CA SER A 95 -9.565 -3.204 -16.969 1.00 0.00 C ATOM 1584 C SER A 95 -10.057 -3.331 -15.529 1.00 0.00 C ATOM 1585 O SER A 95 -10.185 -4.438 -15.004 1.00 0.00 O ATOM 1586 CB SER A 95 -9.893 -4.489 -17.737 1.00 0.00 C ATOM 1587 OG SER A 95 -9.443 -4.420 -19.083 1.00 0.00 O ATOM 0 H SER A 95 -7.616 -3.393 -16.239 1.00 0.00 H new ATOM 0 HA SER A 95 -10.070 -2.367 -17.451 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.428 -5.340 -17.240 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.969 -4.659 -17.720 1.00 0.00 H new ATOM 0 HG SER A 95 -9.666 -5.255 -19.546 1.00 0.00 H new ATOM 1593 N SER A 96 -10.324 -2.199 -14.896 1.00 0.00 N ATOM 1594 CA SER A 96 -10.801 -2.184 -13.525 1.00 0.00 C ATOM 1595 C SER A 96 -12.297 -2.482 -13.479 1.00 0.00 C ATOM 1596 O SER A 96 -13.066 -1.983 -14.306 1.00 0.00 O ATOM 1597 CB SER A 96 -10.511 -0.830 -12.873 1.00 0.00 C ATOM 1598 OG SER A 96 -9.121 -0.535 -12.901 1.00 0.00 O ATOM 0 H SER A 96 -10.217 -1.275 -15.314 1.00 0.00 H new ATOM 0 HA SER A 96 -10.274 -2.959 -12.968 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.062 -0.047 -13.393 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.864 -0.837 -11.842 1.00 0.00 H new ATOM 0 HG SER A 96 -8.963 0.336 -12.480 1.00 0.00 H new ATOM 1604 N SER A 97 -12.698 -3.296 -12.515 1.00 0.00 N ATOM 1605 CA SER A 97 -14.096 -3.675 -12.350 1.00 0.00 C ATOM 1606 C SER A 97 -14.322 -4.185 -10.926 1.00 0.00 C ATOM 1607 O SER A 97 -13.326 -4.557 -10.268 1.00 0.00 O ATOM 1608 CB SER A 97 -14.473 -4.751 -13.378 1.00 0.00 C ATOM 1609 OG SER A 97 -15.879 -4.929 -13.465 1.00 0.00 O ATOM 1610 OXT SER A 97 -15.481 -4.193 -10.463 1.00 0.00 O ATOM 0 H SER A 97 -12.069 -3.711 -11.828 1.00 0.00 H new ATOM 0 HA SER A 97 -14.731 -2.805 -12.517 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.081 -4.472 -14.356 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.003 -5.696 -13.104 1.00 0.00 H new ATOM 0 HG SER A 97 -16.081 -5.620 -14.130 1.00 0.00 H new TER 1616 SER A 97