USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=28 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= -2.22! K(o=-2.2!,f=-0.008) USER MOD Set 2.1: A 29 MET CE :methyl -125:sc= -0.495 (180deg=-1.02) USER MOD Set 2.2: A 70 SER OG : rot 83:sc= 0.252 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -132:sc= 0.00411 (180deg=-0.0389) USER MOD Set 3.2: A 49 GLN : amide:sc= 0.00434 X(o=0.0084,f=-0.26) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.56 (180deg=-1.08) USER MOD Single : A 4 LYS NZ :NH3+ -134:sc= 1.19 (180deg=-1.01) USER MOD Single : A 7 ASN : amide:sc= 0.747 K(o=0.75,f=-0.085) USER MOD Single : A 8 CYS SG : rot 80:sc= -2.15! USER MOD Single : A -1 SER OG : rot 81:sc= 0.495 USER MOD Single : A -5 GLY N :NH3+ -125:sc= 0.0852 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.7! K(o=-1.7!,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -2.84! K(o=-2.8!,f=-0.92) USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= 1.16 (180deg=-0.54) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.138 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0016 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 161:sc= -4.46 (180deg=-5.6!) USER MOD Single : A 28 HIS : no HD1:sc= -0.294 K(o=-0.29,f=-6.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD Single : A 45 ASN : amide:sc= -2.83! K(o=-2.8!,f=-0.43) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 50 GLN : amide:sc= -4.11! K(o=-4.1!,f=-0.22) USER MOD Single : A 51 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.4) USER MOD Single : A 55 MET CE :methyl -120:sc= -0.758 (180deg=-3.08!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -166:sc= -10.1! (180deg=-11.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.16) USER MOD Single : A 65 ASN : amide:sc=-5.5e-05 K(o=-5.5e-05,f=-1.1) USER MOD Single : A 67 SER OG : rot 77:sc= 1.04 USER MOD Single : A 68 TYR OH : rot 127:sc= -2.52! USER MOD Single : A 73 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.5!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 80 TYR OH : rot 48:sc= -1.44 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 51:sc= 0.0544 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 13.243 -14.737 -1.540 1.00 0.00 N ATOM 2 CA GLY A -5 13.270 -14.537 -3.011 1.00 0.00 C ATOM 3 C GLY A -5 12.247 -13.516 -3.476 1.00 0.00 C ATOM 4 O GLY A -5 11.501 -12.964 -2.664 1.00 0.00 O ATOM 0 H1 GLY A -5 14.194 -14.577 -1.150 1.00 0.00 H new ATOM 0 H2 GLY A -5 12.575 -14.065 -1.111 1.00 0.00 H new ATOM 0 H3 GLY A -5 12.941 -15.709 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A -5 14.266 -14.212 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY A -5 13.081 -15.489 -3.508 1.00 0.00 H new ATOM 10 N PRO A -4 12.185 -13.244 -4.792 1.00 0.00 N ATOM 11 CA PRO A -4 11.248 -12.276 -5.365 1.00 0.00 C ATOM 12 C PRO A -4 9.851 -12.861 -5.607 1.00 0.00 C ATOM 13 O PRO A -4 9.250 -12.650 -6.663 1.00 0.00 O ATOM 14 CB PRO A -4 11.916 -11.910 -6.690 1.00 0.00 C ATOM 15 CG PRO A -4 12.633 -13.152 -7.104 1.00 0.00 C ATOM 16 CD PRO A -4 13.040 -13.855 -5.831 1.00 0.00 C ATOM 0 HA PRO A -4 11.073 -11.431 -4.699 1.00 0.00 H new ATOM 0 HB2 PRO A -4 11.180 -11.610 -7.436 1.00 0.00 H new ATOM 0 HB3 PRO A -4 12.606 -11.075 -6.569 1.00 0.00 H new ATOM 0 HG2 PRO A -4 11.988 -13.789 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A -4 13.506 -12.912 -7.711 1.00 0.00 H new ATOM 0 HD2 PRO A -4 12.877 -14.930 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A -4 14.098 -13.707 -5.615 1.00 0.00 H new ATOM 24 N LEU A -3 9.334 -13.583 -4.619 1.00 0.00 N ATOM 25 CA LEU A -3 8.009 -14.177 -4.721 1.00 0.00 C ATOM 26 C LEU A -3 6.951 -13.084 -4.690 1.00 0.00 C ATOM 27 O LEU A -3 6.804 -12.377 -3.696 1.00 0.00 O ATOM 28 CB LEU A -3 7.781 -15.166 -3.572 1.00 0.00 C ATOM 29 CG LEU A -3 6.439 -15.905 -3.594 1.00 0.00 C ATOM 30 CD1 LEU A -3 6.323 -16.759 -4.844 1.00 0.00 C ATOM 31 CD2 LEU A -3 6.288 -16.758 -2.345 1.00 0.00 C ATOM 0 H LEU A -3 9.814 -13.770 -3.739 1.00 0.00 H new ATOM 0 HA LEU A -3 7.935 -14.718 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A -3 8.583 -15.904 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A -3 7.863 -14.626 -2.629 1.00 0.00 H new ATOM 0 HG LEU A -3 5.635 -15.169 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A -3 5.364 -17.277 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A -3 6.391 -16.123 -5.727 1.00 0.00 H new ATOM 0 HD13 LEU A -3 7.130 -17.491 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.330 -17.278 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A -3 7.096 -17.488 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A -3 6.329 -16.120 -1.462 1.00 0.00 H new ATOM 43 N GLY A -2 6.247 -12.928 -5.793 1.00 0.00 N ATOM 44 CA GLY A -2 5.243 -11.892 -5.886 1.00 0.00 C ATOM 45 C GLY A -2 5.867 -10.572 -6.281 1.00 0.00 C ATOM 46 O GLY A -2 6.242 -9.775 -5.422 1.00 0.00 O ATOM 0 H GLY A -2 6.351 -13.501 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A -2 4.488 -12.176 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A -2 4.734 -11.786 -4.928 1.00 0.00 H new ATOM 50 N SER A -1 6.009 -10.353 -7.583 1.00 0.00 N ATOM 51 CA SER A -1 6.617 -9.128 -8.090 1.00 0.00 C ATOM 52 C SER A -1 5.751 -8.476 -9.165 1.00 0.00 C ATOM 53 O SER A -1 4.912 -9.131 -9.789 1.00 0.00 O ATOM 54 CB SER A -1 7.998 -9.439 -8.668 1.00 0.00 C ATOM 55 OG SER A -1 8.827 -10.071 -7.708 1.00 0.00 O ATOM 0 H SER A -1 5.712 -11.007 -8.307 1.00 0.00 H new ATOM 0 HA SER A -1 6.709 -8.430 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A -1 7.893 -10.083 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A -1 8.469 -8.516 -9.007 1.00 0.00 H new ATOM 0 HG SER A -1 8.606 -11.025 -7.662 1.00 0.00 H new ATOM 61 N MET A 1 5.969 -7.190 -9.397 1.00 0.00 N ATOM 62 CA MET A 1 5.223 -6.460 -10.408 1.00 0.00 C ATOM 63 C MET A 1 6.066 -6.348 -11.671 1.00 0.00 C ATOM 64 O MET A 1 7.146 -6.940 -11.759 1.00 0.00 O ATOM 65 CB MET A 1 4.830 -5.067 -9.892 1.00 0.00 C ATOM 66 CG MET A 1 5.988 -4.078 -9.776 1.00 0.00 C ATOM 67 SD MET A 1 7.312 -4.640 -8.683 1.00 0.00 S ATOM 68 CE MET A 1 6.455 -4.669 -7.117 1.00 0.00 C ATOM 0 H MET A 1 6.659 -6.630 -8.896 1.00 0.00 H new ATOM 0 HA MET A 1 4.305 -7.001 -10.637 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.077 -4.647 -10.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.364 -5.176 -8.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.400 -3.896 -10.769 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.606 -3.125 -9.410 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.179 -4.769 -6.308 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.896 -3.742 -6.991 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.767 -5.514 -7.095 1.00 0.00 H new ATOM 78 N ASP A 2 5.590 -5.585 -12.635 1.00 0.00 N ATOM 79 CA ASP A 2 6.326 -5.410 -13.873 1.00 0.00 C ATOM 80 C ASP A 2 7.482 -4.451 -13.667 1.00 0.00 C ATOM 81 O ASP A 2 7.343 -3.451 -12.973 1.00 0.00 O ATOM 82 CB ASP A 2 5.415 -4.919 -14.994 1.00 0.00 C ATOM 83 CG ASP A 2 6.180 -4.650 -16.274 1.00 0.00 C ATOM 84 OD1 ASP A 2 6.848 -5.574 -16.781 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.129 -3.510 -16.759 1.00 0.00 O ATOM 0 H ASP A 2 4.705 -5.080 -12.587 1.00 0.00 H new ATOM 0 HA ASP A 2 6.724 -6.381 -14.169 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.642 -5.663 -15.184 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.909 -4.007 -14.676 1.00 0.00 H new ATOM 90 N ALA A 3 8.620 -4.776 -14.257 1.00 0.00 N ATOM 91 CA ALA A 3 9.811 -3.959 -14.129 1.00 0.00 C ATOM 92 C ALA A 3 9.615 -2.606 -14.784 1.00 0.00 C ATOM 93 O ALA A 3 9.969 -1.586 -14.210 1.00 0.00 O ATOM 94 CB ALA A 3 11.014 -4.674 -14.728 1.00 0.00 C ATOM 0 H ALA A 3 8.742 -5.608 -14.834 1.00 0.00 H new ATOM 0 HA ALA A 3 9.997 -3.796 -13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.899 -4.047 -14.623 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.174 -5.617 -14.206 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.831 -4.871 -15.784 1.00 0.00 H new ATOM 100 N LYS A 4 9.032 -2.599 -15.977 1.00 0.00 N ATOM 101 CA LYS A 4 8.785 -1.346 -16.684 1.00 0.00 C ATOM 102 C LYS A 4 7.764 -0.517 -15.920 1.00 0.00 C ATOM 103 O LYS A 4 7.936 0.687 -15.746 1.00 0.00 O ATOM 104 CB LYS A 4 8.297 -1.599 -18.119 1.00 0.00 C ATOM 105 CG LYS A 4 8.152 -0.331 -18.950 1.00 0.00 C ATOM 106 CD LYS A 4 9.487 0.372 -19.116 1.00 0.00 C ATOM 107 CE LYS A 4 9.353 1.686 -19.865 1.00 0.00 C ATOM 108 NZ LYS A 4 8.753 1.505 -21.210 1.00 0.00 N ATOM 0 H LYS A 4 8.724 -3.436 -16.472 1.00 0.00 H new ATOM 0 HA LYS A 4 9.725 -0.798 -16.745 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.995 -2.271 -18.617 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.335 -2.110 -18.081 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.745 -0.580 -19.930 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.441 0.342 -18.471 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.923 0.558 -18.134 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.176 -0.281 -19.652 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.738 2.373 -19.284 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.336 2.147 -19.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.303 2.042 -21.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.763 0.496 -21.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.772 1.850 -21.202 1.00 0.00 H new ATOM 122 N ALA A 5 6.716 -1.175 -15.443 1.00 0.00 N ATOM 123 CA ALA A 5 5.681 -0.509 -14.674 1.00 0.00 C ATOM 124 C ALA A 5 6.269 0.093 -13.405 1.00 0.00 C ATOM 125 O ALA A 5 6.175 1.300 -13.176 1.00 0.00 O ATOM 126 CB ALA A 5 4.611 -1.518 -14.310 1.00 0.00 C ATOM 0 H ALA A 5 6.563 -2.174 -15.578 1.00 0.00 H new ATOM 0 HA ALA A 5 5.249 0.293 -15.272 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.829 -1.026 -13.732 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.181 -1.936 -15.220 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.053 -2.318 -13.716 1.00 0.00 H new ATOM 132 N ARG A 6 6.865 -0.774 -12.597 1.00 0.00 N ATOM 133 CA ARG A 6 7.458 -0.373 -11.329 1.00 0.00 C ATOM 134 C ARG A 6 8.512 0.723 -11.499 1.00 0.00 C ATOM 135 O ARG A 6 8.655 1.601 -10.647 1.00 0.00 O ATOM 136 CB ARG A 6 8.071 -1.591 -10.651 1.00 0.00 C ATOM 137 CG ARG A 6 8.489 -1.343 -9.217 1.00 0.00 C ATOM 138 CD ARG A 6 9.947 -1.678 -9.013 1.00 0.00 C ATOM 139 NE ARG A 6 10.233 -3.080 -9.309 1.00 0.00 N ATOM 140 CZ ARG A 6 11.441 -3.619 -9.245 1.00 0.00 C ATOM 141 NH1 ARG A 6 12.489 -2.879 -8.931 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.602 -4.900 -9.518 1.00 0.00 N ATOM 0 H ARG A 6 6.951 -1.770 -12.801 1.00 0.00 H new ATOM 0 HA ARG A 6 6.665 0.043 -10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.351 -2.409 -10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.941 -1.915 -11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.312 -0.299 -8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.876 -1.946 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.558 -1.041 -9.652 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.228 -1.460 -7.983 1.00 0.00 H new ATOM 0 HE ARG A 6 9.455 -3.680 -9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.371 -1.885 -8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.416 -3.302 -8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.798 -5.471 -9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.531 -5.319 -9.470 1.00 0.00 H new ATOM 156 N ASN A 7 9.251 0.669 -12.595 1.00 0.00 N ATOM 157 CA ASN A 7 10.282 1.655 -12.856 1.00 0.00 C ATOM 158 C ASN A 7 9.673 2.959 -13.305 1.00 0.00 C ATOM 159 O ASN A 7 10.016 3.986 -12.769 1.00 0.00 O ATOM 160 CB ASN A 7 11.305 1.151 -13.880 1.00 0.00 C ATOM 161 CG ASN A 7 12.435 0.370 -13.235 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.217 0.911 -12.455 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.519 -0.910 -13.546 1.00 0.00 N ATOM 0 H ASN A 7 9.155 -0.046 -13.316 1.00 0.00 H new ATOM 0 HA ASN A 7 10.815 1.826 -11.920 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.801 0.519 -14.611 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.719 2.000 -14.424 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.252 -1.488 -13.135 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.851 -1.321 -14.198 1.00 0.00 H new ATOM 170 N CYS A 8 8.739 2.933 -14.241 1.00 0.00 N ATOM 171 CA CYS A 8 8.086 4.171 -14.673 1.00 0.00 C ATOM 172 C CYS A 8 7.494 4.896 -13.467 1.00 0.00 C ATOM 173 O CYS A 8 7.285 6.104 -13.484 1.00 0.00 O ATOM 174 CB CYS A 8 6.999 3.868 -15.712 1.00 0.00 C ATOM 175 SG CYS A 8 7.632 3.388 -17.340 1.00 0.00 S ATOM 0 H CYS A 8 8.416 2.088 -14.713 1.00 0.00 H new ATOM 0 HA CYS A 8 8.829 4.819 -15.138 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.364 3.068 -15.332 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.368 4.749 -15.827 1.00 0.00 H new ATOM 0 HG CYS A 8 7.991 2.139 -17.315 1.00 0.00 H new ATOM 181 N LEU A 9 7.271 4.145 -12.407 1.00 0.00 N ATOM 182 CA LEU A 9 6.755 4.685 -11.174 1.00 0.00 C ATOM 183 C LEU A 9 7.854 5.374 -10.368 1.00 0.00 C ATOM 184 O LEU A 9 7.785 6.571 -10.094 1.00 0.00 O ATOM 185 CB LEU A 9 6.136 3.540 -10.356 1.00 0.00 C ATOM 186 CG LEU A 9 6.154 3.705 -8.840 1.00 0.00 C ATOM 187 CD1 LEU A 9 5.154 4.758 -8.394 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.881 2.373 -8.160 1.00 0.00 C ATOM 0 H LEU A 9 7.445 3.140 -12.381 1.00 0.00 H new ATOM 0 HA LEU A 9 5.998 5.435 -11.404 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.101 3.413 -10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.661 2.618 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 9 7.146 4.045 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.188 4.855 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.405 5.715 -8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.151 4.460 -8.701 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.897 2.507 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.902 2.002 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.648 1.654 -8.448 1.00 0.00 H new ATOM 200 N LEU A 10 8.847 4.599 -9.960 1.00 0.00 N ATOM 201 CA LEU A 10 9.931 5.122 -9.128 1.00 0.00 C ATOM 202 C LEU A 10 11.021 5.872 -9.907 1.00 0.00 C ATOM 203 O LEU A 10 11.781 6.646 -9.317 1.00 0.00 O ATOM 204 CB LEU A 10 10.527 3.967 -8.342 1.00 0.00 C ATOM 205 CG LEU A 10 9.688 3.469 -7.162 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.232 2.146 -6.648 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.683 4.490 -6.034 1.00 0.00 C ATOM 0 H LEU A 10 8.929 3.608 -10.188 1.00 0.00 H new ATOM 0 HA LEU A 10 9.501 5.871 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.693 3.133 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.504 4.272 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 10 8.666 3.326 -7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.625 1.804 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.198 1.404 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.263 2.279 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.081 4.115 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.704 4.660 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.261 5.428 -6.394 1.00 0.00 H new ATOM 219 N GLN A 11 11.091 5.652 -11.210 1.00 0.00 N ATOM 220 CA GLN A 11 12.082 6.310 -12.063 1.00 0.00 C ATOM 221 C GLN A 11 11.687 7.762 -12.284 1.00 0.00 C ATOM 222 O GLN A 11 12.539 8.640 -12.411 1.00 0.00 O ATOM 223 CB GLN A 11 12.186 5.573 -13.392 1.00 0.00 C ATOM 224 CG GLN A 11 13.279 6.050 -14.326 1.00 0.00 C ATOM 225 CD GLN A 11 13.272 5.265 -15.624 1.00 0.00 C ATOM 226 OE1 GLN A 11 14.097 5.485 -16.508 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.331 4.336 -15.742 1.00 0.00 N ATOM 0 H GLN A 11 10.468 5.017 -11.709 1.00 0.00 H new ATOM 0 HA GLN A 11 13.056 6.286 -11.575 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.345 4.514 -13.187 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.230 5.658 -13.909 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.142 7.110 -14.538 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.249 5.945 -13.839 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.665 4.185 -14.984 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.274 3.773 -16.591 1.00 0.00 H new ATOM 236 N HIS A 12 10.380 8.018 -12.272 1.00 0.00 N ATOM 237 CA HIS A 12 9.857 9.369 -12.406 1.00 0.00 C ATOM 238 C HIS A 12 9.916 10.055 -11.048 1.00 0.00 C ATOM 239 O HIS A 12 9.040 10.827 -10.695 1.00 0.00 O ATOM 240 CB HIS A 12 8.419 9.363 -12.942 1.00 0.00 C ATOM 241 CG HIS A 12 8.324 9.266 -14.436 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.846 10.213 -15.284 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.757 8.331 -15.234 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.602 9.869 -16.533 1.00 0.00 C ATOM 245 NE2 HIS A 12 7.942 8.729 -16.530 1.00 0.00 N ATOM 0 H HIS A 12 9.663 7.300 -12.170 1.00 0.00 H new ATOM 0 HA HIS A 12 10.467 9.915 -13.125 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.881 8.525 -12.499 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.917 10.273 -12.615 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.251 7.435 -14.907 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.894 10.427 -17.410 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.622 8.226 -17.357 1.00 0.00 H new ATOM 254 N ARG A 13 10.977 9.740 -10.310 1.00 0.00 N ATOM 255 CA ARG A 13 11.259 10.273 -8.972 1.00 0.00 C ATOM 256 C ARG A 13 11.086 11.782 -8.910 1.00 0.00 C ATOM 257 O ARG A 13 10.655 12.317 -7.895 1.00 0.00 O ATOM 258 CB ARG A 13 12.689 9.916 -8.555 1.00 0.00 C ATOM 259 CG ARG A 13 12.772 8.957 -7.375 1.00 0.00 C ATOM 260 CD ARG A 13 12.278 9.599 -6.087 1.00 0.00 C ATOM 261 NE ARG A 13 12.310 8.661 -4.961 1.00 0.00 N ATOM 262 CZ ARG A 13 11.860 8.943 -3.744 1.00 0.00 C ATOM 263 NH1 ARG A 13 11.362 10.141 -3.464 1.00 0.00 N ATOM 264 NH2 ARG A 13 11.923 8.016 -2.804 1.00 0.00 N ATOM 0 H ARG A 13 11.690 9.086 -10.633 1.00 0.00 H new ATOM 0 HA ARG A 13 10.542 9.820 -8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.204 9.472 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.222 10.833 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.179 8.067 -7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.803 8.629 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.895 10.467 -5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.260 9.961 -6.229 1.00 0.00 H new ATOM 0 HE ARG A 13 12.703 7.734 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.322 10.858 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.020 10.344 -2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.313 7.098 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.581 8.218 -1.865 1.00 0.00 H new ATOM 278 N GLU A 14 11.425 12.457 -10.003 1.00 0.00 N ATOM 279 CA GLU A 14 11.306 13.908 -10.090 1.00 0.00 C ATOM 280 C GLU A 14 9.844 14.328 -9.930 1.00 0.00 C ATOM 281 O GLU A 14 9.544 15.455 -9.537 1.00 0.00 O ATOM 282 CB GLU A 14 11.862 14.406 -11.428 1.00 0.00 C ATOM 283 CG GLU A 14 12.036 15.914 -11.506 1.00 0.00 C ATOM 284 CD GLU A 14 12.655 16.354 -12.817 1.00 0.00 C ATOM 285 OE1 GLU A 14 12.929 15.485 -13.671 1.00 0.00 O ATOM 286 OE2 GLU A 14 12.866 17.567 -13.005 1.00 0.00 O ATOM 0 H GLU A 14 11.788 12.017 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 14 11.887 14.357 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.826 13.930 -11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.194 14.086 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.066 16.396 -11.385 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.664 16.248 -10.680 1.00 0.00 H new ATOM 293 N ALA A 15 8.937 13.399 -10.219 1.00 0.00 N ATOM 294 CA ALA A 15 7.509 13.650 -10.092 1.00 0.00 C ATOM 295 C ALA A 15 6.889 12.747 -9.026 1.00 0.00 C ATOM 296 O ALA A 15 5.773 12.998 -8.571 1.00 0.00 O ATOM 297 CB ALA A 15 6.820 13.445 -11.433 1.00 0.00 C ATOM 0 H ALA A 15 9.170 12.461 -10.544 1.00 0.00 H new ATOM 0 HA ALA A 15 7.368 14.685 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.752 13.635 -11.326 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.240 14.133 -12.167 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.974 12.419 -11.768 1.00 0.00 H new ATOM 303 N LEU A 16 7.624 11.691 -8.651 1.00 0.00 N ATOM 304 CA LEU A 16 7.181 10.713 -7.648 1.00 0.00 C ATOM 305 C LEU A 16 6.706 11.381 -6.363 1.00 0.00 C ATOM 306 O LEU A 16 5.524 11.661 -6.210 1.00 0.00 O ATOM 307 CB LEU A 16 8.311 9.745 -7.306 1.00 0.00 C ATOM 308 CG LEU A 16 7.878 8.537 -6.478 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.122 7.554 -7.350 1.00 0.00 C ATOM 310 CD2 LEU A 16 9.072 7.859 -5.836 1.00 0.00 C ATOM 0 H LEU A 16 8.547 11.490 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 16 6.343 10.174 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.763 9.392 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.084 10.286 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 16 7.221 8.887 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.817 6.696 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.238 8.040 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.766 7.219 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.734 7.002 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.759 7.521 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.583 8.565 -5.181 1.00 0.00 H new ATOM 322 N GLU A 17 7.635 11.607 -5.434 1.00 0.00 N ATOM 323 CA GLU A 17 7.331 12.209 -4.130 1.00 0.00 C ATOM 324 C GLU A 17 6.600 13.549 -4.255 1.00 0.00 C ATOM 325 O GLU A 17 5.903 13.968 -3.333 1.00 0.00 O ATOM 326 CB GLU A 17 8.626 12.364 -3.331 1.00 0.00 C ATOM 327 CG GLU A 17 8.422 12.549 -1.835 1.00 0.00 C ATOM 328 CD GLU A 17 9.667 12.207 -1.038 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.113 11.039 -1.101 1.00 0.00 O ATOM 330 OE2 GLU A 17 10.208 13.092 -0.340 1.00 0.00 O ATOM 0 H GLU A 17 8.621 11.379 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 17 6.651 11.541 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.247 11.484 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.178 13.220 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.137 13.582 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.596 11.920 -1.503 1.00 0.00 H new ATOM 337 N LYS A 18 6.754 14.204 -5.398 1.00 0.00 N ATOM 338 CA LYS A 18 6.100 15.480 -5.653 1.00 0.00 C ATOM 339 C LYS A 18 4.577 15.343 -5.584 1.00 0.00 C ATOM 340 O LYS A 18 3.896 16.149 -4.941 1.00 0.00 O ATOM 341 CB LYS A 18 6.507 16.011 -7.032 1.00 0.00 C ATOM 342 CG LYS A 18 5.785 17.285 -7.431 1.00 0.00 C ATOM 343 CD LYS A 18 6.003 17.614 -8.899 1.00 0.00 C ATOM 344 CE LYS A 18 5.164 18.803 -9.328 1.00 0.00 C ATOM 345 NZ LYS A 18 3.712 18.567 -9.119 1.00 0.00 N ATOM 0 H LYS A 18 7.331 13.869 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 18 6.418 16.182 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.581 16.195 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.311 15.243 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.718 17.176 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.138 18.112 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.057 17.829 -9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.749 16.748 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.472 19.685 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.348 19.015 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.181 18.924 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.538 17.547 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.400 19.064 -8.261 1.00 0.00 H new ATOM 359 N ASP A 19 4.046 14.326 -6.256 1.00 0.00 N ATOM 360 CA ASP A 19 2.603 14.097 -6.279 1.00 0.00 C ATOM 361 C ASP A 19 2.202 12.872 -5.464 1.00 0.00 C ATOM 362 O ASP A 19 1.133 12.849 -4.858 1.00 0.00 O ATOM 363 CB ASP A 19 2.108 13.935 -7.716 1.00 0.00 C ATOM 364 CG ASP A 19 1.873 15.261 -8.416 1.00 0.00 C ATOM 365 OD1 ASP A 19 2.842 16.021 -8.617 1.00 0.00 O ATOM 366 OD2 ASP A 19 0.715 15.537 -8.790 1.00 0.00 O ATOM 0 H ASP A 19 4.590 13.649 -6.791 1.00 0.00 H new ATOM 0 HA ASP A 19 2.137 14.972 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.837 13.356 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.180 13.363 -7.712 1.00 0.00 H new ATOM 371 N ILE A 20 3.053 11.856 -5.459 1.00 0.00 N ATOM 372 CA ILE A 20 2.781 10.625 -4.727 1.00 0.00 C ATOM 373 C ILE A 20 2.512 10.938 -3.248 1.00 0.00 C ATOM 374 O ILE A 20 3.274 11.661 -2.594 1.00 0.00 O ATOM 375 CB ILE A 20 3.944 9.593 -4.905 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.405 8.160 -5.006 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.965 9.690 -3.784 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.439 7.158 -5.503 1.00 0.00 C ATOM 0 H ILE A 20 3.943 11.860 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 20 1.884 10.163 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 20 4.446 9.844 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.046 7.845 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.547 8.149 -5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.755 8.956 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.397 10.691 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.477 9.492 -2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.991 6.166 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.780 7.450 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.287 7.141 -4.819 1.00 0.00 H new ATOM 390 N LYS A 21 1.396 10.432 -2.746 1.00 0.00 N ATOM 391 CA LYS A 21 0.990 10.669 -1.367 1.00 0.00 C ATOM 392 C LYS A 21 0.300 9.449 -0.810 1.00 0.00 C ATOM 393 O LYS A 21 0.300 8.397 -1.438 1.00 0.00 O ATOM 394 CB LYS A 21 0.060 11.880 -1.273 1.00 0.00 C ATOM 395 CG LYS A 21 0.796 13.193 -1.401 1.00 0.00 C ATOM 396 CD LYS A 21 -0.152 14.332 -1.734 1.00 0.00 C ATOM 397 CE LYS A 21 0.599 15.575 -2.188 1.00 0.00 C ATOM 398 NZ LYS A 21 1.582 16.047 -1.177 1.00 0.00 N ATOM 0 H LYS A 21 0.749 9.849 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 21 1.885 10.874 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.695 11.814 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.467 11.855 -0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.316 13.412 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.556 13.111 -2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.840 14.016 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.755 14.571 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.118 15.361 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.115 16.372 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.470 17.071 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.418 15.553 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.546 15.848 -1.511 1.00 0.00 H new ATOM 412 N THR A 22 -0.272 9.579 0.368 1.00 0.00 N ATOM 413 CA THR A 22 -0.949 8.463 0.979 1.00 0.00 C ATOM 414 C THR A 22 -2.437 8.781 1.244 1.00 0.00 C ATOM 415 O THR A 22 -3.222 8.797 0.295 1.00 0.00 O ATOM 416 CB THR A 22 -0.169 8.046 2.253 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.850 7.009 2.961 1.00 0.00 O ATOM 418 CG2 THR A 22 0.075 9.234 3.182 1.00 0.00 C ATOM 0 H THR A 22 -0.280 10.440 0.915 1.00 0.00 H new ATOM 0 HA THR A 22 -0.960 7.612 0.298 1.00 0.00 H new ATOM 0 HB THR A 22 0.798 7.668 1.920 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.425 6.875 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.624 8.900 4.063 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.656 9.992 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.881 9.658 3.489 1.00 0.00 H new ATOM 426 N SER A 23 -2.798 9.067 2.503 1.00 0.00 N ATOM 427 CA SER A 23 -4.169 9.413 2.922 1.00 0.00 C ATOM 428 C SER A 23 -5.276 8.756 2.076 1.00 0.00 C ATOM 429 O SER A 23 -5.606 7.591 2.281 1.00 0.00 O ATOM 430 CB SER A 23 -4.343 10.936 2.936 1.00 0.00 C ATOM 431 OG SER A 23 -5.543 11.313 3.601 1.00 0.00 O ATOM 0 H SER A 23 -2.133 9.065 3.277 1.00 0.00 H new ATOM 0 HA SER A 23 -4.288 9.008 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.489 11.397 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.358 11.312 1.913 1.00 0.00 H new ATOM 0 HG SER A 23 -5.627 12.289 3.596 1.00 0.00 H new ATOM 437 N TYR A 24 -5.858 9.527 1.154 1.00 0.00 N ATOM 438 CA TYR A 24 -6.956 9.057 0.293 1.00 0.00 C ATOM 439 C TYR A 24 -6.561 7.874 -0.583 1.00 0.00 C ATOM 440 O TYR A 24 -7.271 6.871 -0.638 1.00 0.00 O ATOM 441 CB TYR A 24 -7.450 10.200 -0.588 1.00 0.00 C ATOM 442 CG TYR A 24 -8.282 11.224 0.150 1.00 0.00 C ATOM 443 CD1 TYR A 24 -7.779 11.902 1.257 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.582 11.504 -0.250 1.00 0.00 C ATOM 445 CE1 TYR A 24 -8.548 12.822 1.940 1.00 0.00 C ATOM 446 CE2 TYR A 24 -10.355 12.424 0.429 1.00 0.00 C ATOM 447 CZ TYR A 24 -9.835 13.079 1.521 1.00 0.00 C ATOM 448 OH TYR A 24 -10.611 13.988 2.198 1.00 0.00 O ATOM 0 H TYR A 24 -5.585 10.494 0.980 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.751 8.716 0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.590 10.699 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.041 9.787 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.770 11.705 1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.995 10.993 -1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.143 13.338 2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.364 12.629 0.104 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.490 14.050 1.770 1.00 0.00 H new ATOM 458 N ILE A 25 -5.433 7.993 -1.264 1.00 0.00 N ATOM 459 CA ILE A 25 -4.938 6.925 -2.138 1.00 0.00 C ATOM 460 C ILE A 25 -4.800 5.626 -1.357 1.00 0.00 C ATOM 461 O ILE A 25 -5.179 4.552 -1.827 1.00 0.00 O ATOM 462 CB ILE A 25 -3.580 7.322 -2.763 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.774 8.531 -3.679 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.961 6.156 -3.525 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.484 9.093 -4.224 1.00 0.00 C ATOM 0 H ILE A 25 -4.836 8.819 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.658 6.775 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.890 7.588 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.416 8.245 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.296 9.313 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.008 6.466 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.799 5.321 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.634 5.846 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.701 9.948 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.848 9.411 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.969 8.327 -4.804 1.00 0.00 H new ATOM 477 N MET A 26 -4.291 5.754 -0.148 1.00 0.00 N ATOM 478 CA MET A 26 -4.105 4.631 0.755 1.00 0.00 C ATOM 479 C MET A 26 -5.437 4.139 1.304 1.00 0.00 C ATOM 480 O MET A 26 -5.559 2.981 1.692 1.00 0.00 O ATOM 481 CB MET A 26 -3.205 5.072 1.912 1.00 0.00 C ATOM 482 CG MET A 26 -3.132 4.091 3.071 1.00 0.00 C ATOM 483 SD MET A 26 -2.411 4.843 4.541 1.00 0.00 S ATOM 484 CE MET A 26 -2.432 3.467 5.682 1.00 0.00 C ATOM 0 H MET A 26 -3.991 6.648 0.241 1.00 0.00 H new ATOM 0 HA MET A 26 -3.644 3.811 0.205 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.198 5.236 1.529 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.563 6.031 2.287 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.133 3.727 3.303 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.538 3.225 2.777 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.733 3.658 6.496 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.436 3.346 6.088 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.140 2.556 5.159 1.00 0.00 H new ATOM 494 N ASP A 27 -6.434 5.012 1.328 1.00 0.00 N ATOM 495 CA ASP A 27 -7.742 4.636 1.850 1.00 0.00 C ATOM 496 C ASP A 27 -8.430 3.709 0.872 1.00 0.00 C ATOM 497 O ASP A 27 -9.177 2.808 1.252 1.00 0.00 O ATOM 498 CB ASP A 27 -8.582 5.892 2.102 1.00 0.00 C ATOM 499 CG ASP A 27 -9.784 5.644 2.997 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.082 4.478 3.315 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.443 6.630 3.389 1.00 0.00 O ATOM 0 H ASP A 27 -6.366 5.974 0.997 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.623 4.111 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.952 6.657 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.925 6.288 1.146 1.00 0.00 H new ATOM 506 N HIS A 28 -8.144 3.922 -0.397 1.00 0.00 N ATOM 507 CA HIS A 28 -8.708 3.104 -1.456 1.00 0.00 C ATOM 508 C HIS A 28 -7.988 1.763 -1.533 1.00 0.00 C ATOM 509 O HIS A 28 -8.576 0.757 -1.905 1.00 0.00 O ATOM 510 CB HIS A 28 -8.624 3.840 -2.789 1.00 0.00 C ATOM 511 CG HIS A 28 -9.374 5.133 -2.783 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.705 5.228 -2.443 1.00 0.00 N ATOM 513 CD2 HIS A 28 -8.969 6.396 -3.046 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.078 6.488 -2.497 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.045 7.214 -2.858 1.00 0.00 N ATOM 0 H HIS A 28 -7.520 4.660 -0.723 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.758 2.914 -1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.578 4.033 -3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.018 3.200 -3.578 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.978 6.701 -3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.068 6.863 -2.281 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.047 8.227 -2.979 1.00 0.00 H new ATOM 524 N MET A 29 -6.709 1.764 -1.166 1.00 0.00 N ATOM 525 CA MET A 29 -5.902 0.545 -1.182 1.00 0.00 C ATOM 526 C MET A 29 -6.289 -0.404 -0.036 1.00 0.00 C ATOM 527 O MET A 29 -6.272 -1.627 -0.197 1.00 0.00 O ATOM 528 CB MET A 29 -4.415 0.887 -1.104 1.00 0.00 C ATOM 529 CG MET A 29 -3.845 1.461 -2.389 1.00 0.00 C ATOM 530 SD MET A 29 -2.120 1.010 -2.639 1.00 0.00 S ATOM 531 CE MET A 29 -2.283 -0.702 -3.163 1.00 0.00 C ATOM 0 H MET A 29 -6.208 2.596 -0.853 1.00 0.00 H new ATOM 0 HA MET A 29 -6.100 0.032 -2.123 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.259 1.604 -0.298 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.859 -0.013 -0.842 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.436 1.108 -3.234 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.934 2.547 -2.369 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.679 -1.339 -2.517 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.328 -1.005 -3.097 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.940 -0.801 -4.193 1.00 0.00 H new ATOM 541 N ILE A 30 -6.647 0.157 1.115 1.00 0.00 N ATOM 542 CA ILE A 30 -7.045 -0.652 2.259 1.00 0.00 C ATOM 543 C ILE A 30 -8.478 -1.124 2.064 1.00 0.00 C ATOM 544 O ILE A 30 -8.822 -2.257 2.392 1.00 0.00 O ATOM 545 CB ILE A 30 -6.953 0.131 3.579 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.617 0.850 3.687 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.132 -0.788 4.779 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.450 1.615 4.977 1.00 0.00 C ATOM 0 H ILE A 30 -6.669 1.164 1.279 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.362 -1.499 2.321 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.758 0.866 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.812 0.120 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.515 1.539 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.062 -0.205 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.109 -1.268 4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.353 -1.550 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.475 2.103 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.234 2.368 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.520 0.927 5.820 1.00 0.00 H new ATOM 560 N SER A 31 -9.301 -0.242 1.505 1.00 0.00 N ATOM 561 CA SER A 31 -10.694 -0.559 1.240 1.00 0.00 C ATOM 562 C SER A 31 -10.762 -1.637 0.167 1.00 0.00 C ATOM 563 O SER A 31 -11.692 -2.446 0.128 1.00 0.00 O ATOM 564 CB SER A 31 -11.463 0.690 0.799 1.00 0.00 C ATOM 565 OG SER A 31 -12.858 0.524 0.986 1.00 0.00 O ATOM 0 H SER A 31 -9.023 0.699 1.227 1.00 0.00 H new ATOM 0 HA SER A 31 -11.159 -0.927 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.117 1.553 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.256 0.896 -0.251 1.00 0.00 H new ATOM 0 HG SER A 31 -13.326 1.336 0.698 1.00 0.00 H new ATOM 571 N ASP A 32 -9.736 -1.656 -0.674 1.00 0.00 N ATOM 572 CA ASP A 32 -9.619 -2.646 -1.729 1.00 0.00 C ATOM 573 C ASP A 32 -9.309 -3.992 -1.087 1.00 0.00 C ATOM 574 O ASP A 32 -9.691 -5.049 -1.594 1.00 0.00 O ATOM 575 CB ASP A 32 -8.505 -2.254 -2.703 1.00 0.00 C ATOM 576 CG ASP A 32 -8.539 -3.036 -4.005 1.00 0.00 C ATOM 577 OD1 ASP A 32 -8.512 -4.282 -3.970 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.572 -2.404 -5.081 1.00 0.00 O ATOM 0 H ASP A 32 -8.966 -0.987 -0.642 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.551 -2.706 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.584 -1.190 -2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.540 -2.408 -2.220 1.00 0.00 H new ATOM 583 N GLY A 33 -8.636 -3.944 0.063 1.00 0.00 N ATOM 584 CA GLY A 33 -8.308 -5.169 0.771 1.00 0.00 C ATOM 585 C GLY A 33 -6.887 -5.626 0.529 1.00 0.00 C ATOM 586 O GLY A 33 -6.445 -6.626 1.094 1.00 0.00 O ATOM 0 H GLY A 33 -8.315 -3.086 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.458 -5.016 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.995 -5.957 0.462 1.00 0.00 H new ATOM 590 N PHE A 34 -6.164 -4.898 -0.308 1.00 0.00 N ATOM 591 CA PHE A 34 -4.784 -5.247 -0.604 1.00 0.00 C ATOM 592 C PHE A 34 -3.890 -4.786 0.531 1.00 0.00 C ATOM 593 O PHE A 34 -2.900 -5.430 0.874 1.00 0.00 O ATOM 594 CB PHE A 34 -4.355 -4.645 -1.941 1.00 0.00 C ATOM 595 CG PHE A 34 -4.867 -5.417 -3.126 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.056 -6.129 -3.053 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.161 -5.435 -4.313 1.00 0.00 C ATOM 598 CE1 PHE A 34 -6.525 -6.843 -4.135 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.629 -6.145 -5.402 1.00 0.00 C ATOM 600 CZ PHE A 34 -5.810 -6.851 -5.313 1.00 0.00 C ATOM 0 H PHE A 34 -6.507 -4.068 -0.791 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.693 -6.330 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.713 -3.617 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.266 -4.606 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.623 -6.124 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.233 -4.888 -4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.450 -7.395 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.068 -6.147 -6.325 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.173 -7.408 -6.164 1.00 0.00 H new ATOM 610 N LEU A 35 -4.291 -3.689 1.151 1.00 0.00 N ATOM 611 CA LEU A 35 -3.581 -3.157 2.294 1.00 0.00 C ATOM 612 C LEU A 35 -4.309 -3.606 3.546 1.00 0.00 C ATOM 613 O LEU A 35 -5.440 -3.190 3.793 1.00 0.00 O ATOM 614 CB LEU A 35 -3.500 -1.631 2.241 1.00 0.00 C ATOM 615 CG LEU A 35 -2.179 -1.059 1.727 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.884 -1.533 0.317 1.00 0.00 C ATOM 617 CD2 LEU A 35 -2.197 0.459 1.799 1.00 0.00 C ATOM 0 H LEU A 35 -5.111 -3.148 0.877 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.557 -3.530 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.306 -1.264 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.680 -1.240 3.243 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.378 -1.426 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.938 -1.108 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.818 -2.621 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.684 -1.211 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.250 0.852 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.013 0.843 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.342 0.773 2.833 1.00 0.00 H new ATOM 629 N THR A 36 -3.681 -4.474 4.311 1.00 0.00 N ATOM 630 CA THR A 36 -4.295 -4.998 5.519 1.00 0.00 C ATOM 631 C THR A 36 -4.110 -4.031 6.672 1.00 0.00 C ATOM 632 O THR A 36 -3.532 -2.950 6.504 1.00 0.00 O ATOM 633 CB THR A 36 -3.689 -6.362 5.909 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.307 -6.201 6.252 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.822 -7.358 4.765 1.00 0.00 C ATOM 0 H THR A 36 -2.746 -4.833 4.120 1.00 0.00 H new ATOM 0 HA THR A 36 -5.357 -5.128 5.313 1.00 0.00 H new ATOM 0 HB THR A 36 -4.234 -6.748 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.928 -7.070 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.388 -8.313 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.876 -7.497 4.525 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.297 -6.978 3.889 1.00 0.00 H new ATOM 643 N ILE A 37 -4.571 -4.431 7.847 1.00 0.00 N ATOM 644 CA ILE A 37 -4.429 -3.612 9.038 1.00 0.00 C ATOM 645 C ILE A 37 -2.944 -3.423 9.348 1.00 0.00 C ATOM 646 O ILE A 37 -2.534 -2.408 9.913 1.00 0.00 O ATOM 647 CB ILE A 37 -5.140 -4.261 10.245 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.582 -4.641 9.873 1.00 0.00 C ATOM 649 CG2 ILE A 37 -5.139 -3.314 11.445 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.322 -5.381 10.968 1.00 0.00 C ATOM 0 H ILE A 37 -5.047 -5.320 8.000 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.894 -2.644 8.853 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.596 -5.165 10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.134 -3.735 9.623 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.565 -5.261 8.976 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.645 -3.790 12.285 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.111 -3.082 11.725 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.660 -2.393 11.182 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.332 -5.615 10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.795 -6.306 11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.373 -4.756 11.860 1.00 0.00 H new ATOM 662 N SER A 38 -2.135 -4.401 8.937 1.00 0.00 N ATOM 663 CA SER A 38 -0.688 -4.339 9.130 1.00 0.00 C ATOM 664 C SER A 38 -0.092 -3.292 8.198 1.00 0.00 C ATOM 665 O SER A 38 0.699 -2.446 8.625 1.00 0.00 O ATOM 666 CB SER A 38 -0.050 -5.711 8.870 1.00 0.00 C ATOM 667 OG SER A 38 1.358 -5.663 9.024 1.00 0.00 O ATOM 0 H SER A 38 -2.460 -5.246 8.468 1.00 0.00 H new ATOM 0 HA SER A 38 -0.481 -4.058 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.468 -6.445 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.296 -6.044 7.862 1.00 0.00 H new ATOM 0 HG SER A 38 1.736 -6.551 8.854 1.00 0.00 H new ATOM 673 N GLU A 39 -0.499 -3.335 6.927 1.00 0.00 N ATOM 674 CA GLU A 39 -0.023 -2.367 5.946 1.00 0.00 C ATOM 675 C GLU A 39 -0.446 -0.962 6.369 1.00 0.00 C ATOM 676 O GLU A 39 0.334 -0.013 6.282 1.00 0.00 O ATOM 677 CB GLU A 39 -0.575 -2.675 4.551 1.00 0.00 C ATOM 678 CG GLU A 39 0.332 -3.539 3.676 1.00 0.00 C ATOM 679 CD GLU A 39 0.324 -5.011 4.045 1.00 0.00 C ATOM 680 OE1 GLU A 39 0.716 -5.350 5.176 1.00 0.00 O ATOM 681 OE2 GLU A 39 -0.065 -5.843 3.192 1.00 0.00 O ATOM 0 H GLU A 39 -1.153 -4.026 6.558 1.00 0.00 H new ATOM 0 HA GLU A 39 1.064 -2.429 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.536 -3.177 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.764 -1.734 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.024 -3.434 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.353 -3.163 3.746 1.00 0.00 H new ATOM 688 N GLU A 40 -1.681 -0.859 6.846 1.00 0.00 N ATOM 689 CA GLU A 40 -2.229 0.408 7.310 1.00 0.00 C ATOM 690 C GLU A 40 -1.434 0.943 8.502 1.00 0.00 C ATOM 691 O GLU A 40 -1.036 2.109 8.530 1.00 0.00 O ATOM 692 CB GLU A 40 -3.694 0.236 7.728 1.00 0.00 C ATOM 693 CG GLU A 40 -4.268 1.461 8.424 1.00 0.00 C ATOM 694 CD GLU A 40 -5.646 1.221 9.000 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.819 0.245 9.759 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.552 2.030 8.727 1.00 0.00 O ATOM 0 H GLU A 40 -2.326 -1.646 6.921 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.162 1.118 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.293 0.014 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.776 -0.624 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.594 1.767 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.316 2.287 7.714 1.00 0.00 H new ATOM 703 N GLU A 41 -1.245 0.081 9.493 1.00 0.00 N ATOM 704 CA GLU A 41 -0.541 0.431 10.723 1.00 0.00 C ATOM 705 C GLU A 41 0.804 1.108 10.472 1.00 0.00 C ATOM 706 O GLU A 41 1.037 2.204 10.966 1.00 0.00 O ATOM 707 CB GLU A 41 -0.342 -0.818 11.588 1.00 0.00 C ATOM 708 CG GLU A 41 0.322 -0.554 12.938 1.00 0.00 C ATOM 709 CD GLU A 41 -0.499 0.336 13.857 1.00 0.00 C ATOM 710 OE1 GLU A 41 -1.553 0.851 13.430 1.00 0.00 O ATOM 711 OE2 GLU A 41 -0.087 0.531 15.020 1.00 0.00 O ATOM 0 H GLU A 41 -1.576 -0.883 9.468 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.166 1.154 11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.312 -1.284 11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.263 -1.536 11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.504 -1.506 13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.294 -0.091 12.771 1.00 0.00 H new ATOM 718 N LYS A 42 1.692 0.455 9.734 1.00 0.00 N ATOM 719 CA LYS A 42 3.023 1.014 9.479 1.00 0.00 C ATOM 720 C LYS A 42 2.992 2.358 8.744 1.00 0.00 C ATOM 721 O LYS A 42 3.637 3.311 9.184 1.00 0.00 O ATOM 722 CB LYS A 42 3.884 0.009 8.721 1.00 0.00 C ATOM 723 CG LYS A 42 4.255 -1.218 9.544 1.00 0.00 C ATOM 724 CD LYS A 42 5.751 -1.527 9.461 1.00 0.00 C ATOM 725 CE LYS A 42 6.583 -0.440 10.119 1.00 0.00 C ATOM 726 NZ LYS A 42 6.394 -0.398 11.587 1.00 0.00 N ATOM 0 H LYS A 42 1.522 -0.454 9.303 1.00 0.00 H new ATOM 0 HA LYS A 42 3.465 1.212 10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.351 -0.312 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.797 0.503 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.975 -1.056 10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.686 -2.078 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.953 -2.483 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.045 -1.629 8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.637 -0.607 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.316 0.527 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.100 0.237 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.439 -0.048 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.510 -1.354 11.979 1.00 0.00 H new ATOM 740 N VAL A 43 2.250 2.439 7.644 1.00 0.00 N ATOM 741 CA VAL A 43 2.152 3.689 6.877 1.00 0.00 C ATOM 742 C VAL A 43 1.622 4.821 7.759 1.00 0.00 C ATOM 743 O VAL A 43 2.119 5.944 7.711 1.00 0.00 O ATOM 744 CB VAL A 43 1.220 3.534 5.652 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.135 4.834 4.864 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.697 2.404 4.754 1.00 0.00 C ATOM 0 H VAL A 43 1.709 1.664 7.261 1.00 0.00 H new ATOM 0 HA VAL A 43 3.156 3.929 6.528 1.00 0.00 H new ATOM 0 HB VAL A 43 0.223 3.290 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.474 4.698 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.741 5.623 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.129 5.113 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.028 2.312 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.706 2.619 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.699 1.470 5.315 1.00 0.00 H new ATOM 756 N ARG A 44 0.604 4.511 8.561 1.00 0.00 N ATOM 757 CA ARG A 44 -0.002 5.504 9.443 1.00 0.00 C ATOM 758 C ARG A 44 0.853 5.754 10.701 1.00 0.00 C ATOM 759 O ARG A 44 0.655 6.746 11.404 1.00 0.00 O ATOM 760 CB ARG A 44 -1.414 5.053 9.848 1.00 0.00 C ATOM 761 CG ARG A 44 -2.281 6.183 10.382 1.00 0.00 C ATOM 762 CD ARG A 44 -3.530 5.679 11.104 1.00 0.00 C ATOM 763 NE ARG A 44 -4.432 4.911 10.240 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.140 5.426 9.236 1.00 0.00 C ATOM 765 NH1 ARG A 44 -5.111 6.724 8.981 1.00 0.00 N ATOM 766 NH2 ARG A 44 -5.924 4.641 8.514 1.00 0.00 N ATOM 0 H ARG A 44 0.184 3.583 8.617 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.061 6.443 8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.906 4.605 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.335 4.276 10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.693 6.794 11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.580 6.828 9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.228 5.056 11.946 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.071 6.531 11.516 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.524 3.911 10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.541 7.344 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.658 7.104 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.985 3.645 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.468 5.032 7.744 1.00 0.00 H new ATOM 780 N ASN A 45 1.799 4.860 10.986 1.00 0.00 N ATOM 781 CA ASN A 45 2.663 4.999 12.160 1.00 0.00 C ATOM 782 C ASN A 45 3.737 6.053 11.941 1.00 0.00 C ATOM 783 O ASN A 45 4.099 6.787 12.864 1.00 0.00 O ATOM 784 CB ASN A 45 3.339 3.669 12.492 1.00 0.00 C ATOM 785 CG ASN A 45 2.569 2.829 13.496 1.00 0.00 C ATOM 786 OD1 ASN A 45 2.930 1.685 13.761 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.510 3.383 14.062 1.00 0.00 N ATOM 0 H ASN A 45 1.987 4.032 10.421 1.00 0.00 H new ATOM 0 HA ASN A 45 2.027 5.309 12.989 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.466 3.096 11.573 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.336 3.866 12.885 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.963 2.858 14.744 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.241 4.336 13.817 1.00 0.00 H new ATOM 794 N GLU A 46 4.254 6.109 10.718 1.00 0.00 N ATOM 795 CA GLU A 46 5.305 7.062 10.370 1.00 0.00 C ATOM 796 C GLU A 46 4.884 8.496 10.716 1.00 0.00 C ATOM 797 O GLU A 46 3.712 8.847 10.629 1.00 0.00 O ATOM 798 CB GLU A 46 5.660 6.913 8.897 1.00 0.00 C ATOM 799 CG GLU A 46 6.078 5.491 8.516 1.00 0.00 C ATOM 800 CD GLU A 46 7.282 4.979 9.296 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.178 4.810 10.532 1.00 0.00 O ATOM 802 OE2 GLU A 46 8.342 4.738 8.678 1.00 0.00 O ATOM 0 H GLU A 46 3.963 5.505 9.949 1.00 0.00 H new ATOM 0 HA GLU A 46 6.196 6.846 10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.802 7.206 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.471 7.600 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.237 4.818 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.307 5.462 7.451 1.00 0.00 H new ATOM 809 N PRO A 47 5.840 9.332 11.168 1.00 0.00 N ATOM 810 CA PRO A 47 5.571 10.716 11.608 1.00 0.00 C ATOM 811 C PRO A 47 4.878 11.633 10.591 1.00 0.00 C ATOM 812 O PRO A 47 3.778 12.131 10.854 1.00 0.00 O ATOM 813 CB PRO A 47 6.963 11.260 11.939 1.00 0.00 C ATOM 814 CG PRO A 47 7.770 10.054 12.258 1.00 0.00 C ATOM 815 CD PRO A 47 7.262 8.979 11.343 1.00 0.00 C ATOM 0 HA PRO A 47 4.860 10.698 12.434 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.385 11.808 11.097 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.929 11.949 12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.832 10.238 12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.652 9.768 13.303 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.796 8.973 10.393 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.380 7.988 11.781 1.00 0.00 H new ATOM 823 N THR A 48 5.519 11.893 9.459 1.00 0.00 N ATOM 824 CA THR A 48 4.950 12.790 8.463 1.00 0.00 C ATOM 825 C THR A 48 4.911 12.120 7.107 1.00 0.00 C ATOM 826 O THR A 48 5.354 10.979 6.988 1.00 0.00 O ATOM 827 CB THR A 48 5.786 14.081 8.358 1.00 0.00 C ATOM 828 OG1 THR A 48 7.142 13.753 8.017 1.00 0.00 O ATOM 829 CG2 THR A 48 5.759 14.850 9.670 1.00 0.00 C ATOM 0 H THR A 48 6.426 11.499 9.209 1.00 0.00 H new ATOM 0 HA THR A 48 3.936 13.038 8.776 1.00 0.00 H new ATOM 0 HB THR A 48 5.355 14.710 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.670 14.576 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.356 15.757 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.731 15.116 9.914 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.171 14.228 10.465 1.00 0.00 H new ATOM 837 N GLN A 49 4.407 12.838 6.090 1.00 0.00 N ATOM 838 CA GLN A 49 4.331 12.322 4.718 1.00 0.00 C ATOM 839 C GLN A 49 5.670 11.722 4.306 1.00 0.00 C ATOM 840 O GLN A 49 5.726 10.816 3.485 1.00 0.00 O ATOM 841 CB GLN A 49 3.940 13.428 3.735 1.00 0.00 C ATOM 842 CG GLN A 49 3.930 12.960 2.286 1.00 0.00 C ATOM 843 CD GLN A 49 4.091 14.101 1.307 1.00 0.00 C ATOM 844 OE1 GLN A 49 3.204 14.932 1.142 1.00 0.00 O ATOM 845 NE2 GLN A 49 5.244 14.152 0.662 1.00 0.00 N ATOM 0 H GLN A 49 4.044 13.785 6.197 1.00 0.00 H new ATOM 0 HA GLN A 49 3.564 11.548 4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.951 13.806 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.636 14.260 3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.734 12.240 2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.994 12.440 2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.954 13.439 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.423 14.904 -0.004 1.00 0.00 H new ATOM 854 N GLN A 50 6.724 12.220 4.932 1.00 0.00 N ATOM 855 CA GLN A 50 8.085 11.753 4.721 1.00 0.00 C ATOM 856 C GLN A 50 8.130 10.229 4.654 1.00 0.00 C ATOM 857 O GLN A 50 8.267 9.643 3.581 1.00 0.00 O ATOM 858 CB GLN A 50 8.937 12.281 5.881 1.00 0.00 C ATOM 859 CG GLN A 50 10.312 11.658 6.022 1.00 0.00 C ATOM 860 CD GLN A 50 10.890 11.931 7.394 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.292 13.052 7.701 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.896 10.913 8.239 1.00 0.00 N ATOM 0 H GLN A 50 6.656 12.975 5.614 1.00 0.00 H new ATOM 0 HA GLN A 50 8.473 12.122 3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.057 13.358 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.390 12.124 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.247 10.582 5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.977 12.058 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.553 10.000 7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.244 11.041 9.189 1.00 0.00 H new ATOM 871 N GLN A 51 7.970 9.594 5.800 1.00 0.00 N ATOM 872 CA GLN A 51 7.963 8.147 5.865 1.00 0.00 C ATOM 873 C GLN A 51 6.551 7.625 5.664 1.00 0.00 C ATOM 874 O GLN A 51 6.352 6.456 5.407 1.00 0.00 O ATOM 875 CB GLN A 51 8.528 7.671 7.206 1.00 0.00 C ATOM 876 CG GLN A 51 10.027 7.874 7.361 1.00 0.00 C ATOM 877 CD GLN A 51 10.493 7.632 8.782 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.047 8.303 9.715 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.380 6.670 8.959 1.00 0.00 N ATOM 0 H GLN A 51 7.843 10.059 6.699 1.00 0.00 H new ATOM 0 HA GLN A 51 8.596 7.755 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.017 8.199 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.302 6.611 7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.555 7.199 6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.287 8.890 7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.723 6.139 8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.722 6.458 9.896 1.00 0.00 H new ATOM 888 N ARG A 52 5.572 8.514 5.778 1.00 0.00 N ATOM 889 CA ARG A 52 4.163 8.140 5.600 1.00 0.00 C ATOM 890 C ARG A 52 3.921 7.748 4.144 1.00 0.00 C ATOM 891 O ARG A 52 3.548 6.613 3.839 1.00 0.00 O ATOM 892 CB ARG A 52 3.255 9.315 5.985 1.00 0.00 C ATOM 893 CG ARG A 52 1.983 8.950 6.740 1.00 0.00 C ATOM 894 CD ARG A 52 1.260 10.221 7.170 1.00 0.00 C ATOM 895 NE ARG A 52 0.037 9.976 7.934 1.00 0.00 N ATOM 896 CZ ARG A 52 -0.001 9.559 9.195 1.00 0.00 C ATOM 897 NH1 ARG A 52 1.109 9.277 9.851 1.00 0.00 N ATOM 898 NH2 ARG A 52 -1.164 9.441 9.808 1.00 0.00 N ATOM 0 H ARG A 52 5.721 9.500 5.993 1.00 0.00 H new ATOM 0 HA ARG A 52 3.931 7.292 6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.831 10.010 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.975 9.847 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.333 8.347 6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.227 8.346 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.937 10.827 7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.012 10.804 6.283 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.853 10.137 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.013 9.378 9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.062 8.958 10.819 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.027 9.669 9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.200 9.121 10.776 1.00 0.00 H new ATOM 912 N ALA A 53 4.171 8.690 3.244 1.00 0.00 N ATOM 913 CA ALA A 53 4.013 8.436 1.824 1.00 0.00 C ATOM 914 C ALA A 53 5.065 7.455 1.357 1.00 0.00 C ATOM 915 O ALA A 53 4.750 6.527 0.620 1.00 0.00 O ATOM 916 CB ALA A 53 4.092 9.728 1.030 1.00 0.00 C ATOM 0 H ALA A 53 4.483 9.633 3.474 1.00 0.00 H new ATOM 0 HA ALA A 53 3.028 8.002 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.971 9.511 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.301 10.404 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.061 10.198 1.196 1.00 0.00 H new ATOM 922 N ALA A 54 6.309 7.643 1.805 1.00 0.00 N ATOM 923 CA ALA A 54 7.379 6.734 1.423 1.00 0.00 C ATOM 924 C ALA A 54 7.037 5.314 1.804 1.00 0.00 C ATOM 925 O ALA A 54 7.350 4.394 1.066 1.00 0.00 O ATOM 926 CB ALA A 54 8.710 7.112 2.046 1.00 0.00 C ATOM 0 H ALA A 54 6.592 8.404 2.422 1.00 0.00 H new ATOM 0 HA ALA A 54 7.478 6.812 0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.474 6.402 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.990 8.115 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.623 7.090 3.132 1.00 0.00 H new ATOM 932 N MET A 55 6.382 5.124 2.949 1.00 0.00 N ATOM 933 CA MET A 55 6.013 3.794 3.378 1.00 0.00 C ATOM 934 C MET A 55 4.999 3.209 2.409 1.00 0.00 C ATOM 935 O MET A 55 5.062 2.032 2.078 1.00 0.00 O ATOM 936 CB MET A 55 5.475 3.834 4.807 1.00 0.00 C ATOM 937 CG MET A 55 5.220 2.455 5.387 1.00 0.00 C ATOM 938 SD MET A 55 6.701 1.424 5.342 1.00 0.00 S ATOM 939 CE MET A 55 6.053 -0.128 5.941 1.00 0.00 C ATOM 0 H MET A 55 6.103 5.872 3.584 1.00 0.00 H new ATOM 0 HA MET A 55 6.891 3.149 3.377 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.186 4.363 5.442 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.547 4.406 4.823 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.876 2.552 6.417 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.421 1.968 4.828 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.580 -0.415 6.851 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.990 -0.020 6.156 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.193 -0.898 5.182 1.00 0.00 H new ATOM 949 N LEU A 56 4.095 4.050 1.912 1.00 0.00 N ATOM 950 CA LEU A 56 3.105 3.607 0.936 1.00 0.00 C ATOM 951 C LEU A 56 3.811 3.177 -0.356 1.00 0.00 C ATOM 952 O LEU A 56 3.624 2.061 -0.842 1.00 0.00 O ATOM 953 CB LEU A 56 2.113 4.730 0.644 1.00 0.00 C ATOM 954 CG LEU A 56 0.781 4.272 0.056 1.00 0.00 C ATOM 955 CD1 LEU A 56 -0.094 3.684 1.147 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.066 5.423 -0.616 1.00 0.00 C ATOM 0 H LEU A 56 4.028 5.035 2.167 1.00 0.00 H new ATOM 0 HA LEU A 56 2.558 2.757 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.918 5.273 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.576 5.434 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 56 0.982 3.507 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.042 3.360 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.411 2.830 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.280 4.439 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.881 5.073 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.125 6.209 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.687 5.818 -1.420 1.00 0.00 H new ATOM 968 N ILE A 57 4.649 4.073 -0.885 1.00 0.00 N ATOM 969 CA ILE A 57 5.426 3.803 -2.112 1.00 0.00 C ATOM 970 C ILE A 57 6.314 2.572 -1.901 1.00 0.00 C ATOM 971 O ILE A 57 6.496 1.741 -2.797 1.00 0.00 O ATOM 972 CB ILE A 57 6.342 5.015 -2.476 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.677 6.341 -2.111 1.00 0.00 C ATOM 974 CG2 ILE A 57 6.692 5.040 -3.971 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.660 7.485 -2.022 1.00 0.00 C ATOM 0 H ILE A 57 4.811 4.997 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 57 4.719 3.631 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 57 7.257 4.890 -1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.917 6.578 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.164 6.234 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.330 5.898 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.218 4.123 -4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.777 5.116 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.130 8.401 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.405 7.266 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.155 7.615 -2.984 1.00 0.00 H new ATOM 987 N LYS A 58 6.874 2.476 -0.702 1.00 0.00 N ATOM 988 CA LYS A 58 7.757 1.379 -0.338 1.00 0.00 C ATOM 989 C LYS A 58 6.990 0.051 -0.262 1.00 0.00 C ATOM 990 O LYS A 58 7.541 -0.999 -0.592 1.00 0.00 O ATOM 991 CB LYS A 58 8.457 1.692 0.996 1.00 0.00 C ATOM 992 CG LYS A 58 9.762 0.937 1.207 1.00 0.00 C ATOM 993 CD LYS A 58 10.889 1.548 0.384 1.00 0.00 C ATOM 994 CE LYS A 58 11.207 2.970 0.839 1.00 0.00 C ATOM 995 NZ LYS A 58 12.180 3.648 -0.059 1.00 0.00 N ATOM 0 H LYS A 58 6.728 3.156 0.044 1.00 0.00 H new ATOM 0 HA LYS A 58 8.515 1.271 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.657 2.762 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.777 1.456 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.029 0.954 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.630 -0.109 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.782 0.929 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.609 1.556 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.286 3.551 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.609 2.943 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.364 4.610 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.070 3.110 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.788 3.699 -1.021 1.00 0.00 H new ATOM 1009 N MET A 59 5.711 0.090 0.141 1.00 0.00 N ATOM 1010 CA MET A 59 4.910 -1.139 0.202 1.00 0.00 C ATOM 1011 C MET A 59 4.804 -1.747 -1.179 1.00 0.00 C ATOM 1012 O MET A 59 5.058 -2.930 -1.371 1.00 0.00 O ATOM 1013 CB MET A 59 3.479 -0.897 0.652 1.00 0.00 C ATOM 1014 CG MET A 59 3.293 -0.302 2.025 1.00 0.00 C ATOM 1015 SD MET A 59 1.540 -0.017 2.345 1.00 0.00 S ATOM 1016 CE MET A 59 1.016 0.540 0.720 1.00 0.00 C ATOM 0 H MET A 59 5.219 0.938 0.423 1.00 0.00 H new ATOM 0 HA MET A 59 5.417 -1.786 0.918 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.001 -0.237 -0.072 1.00 0.00 H new ATOM 0 HB3 MET A 59 2.946 -1.847 0.618 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.704 -0.973 2.779 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.842 0.637 2.100 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.028 0.994 0.792 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.726 1.275 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.976 -0.310 0.039 1.00 0.00 H new ATOM 1026 N ILE A 60 4.401 -0.908 -2.136 1.00 0.00 N ATOM 1027 CA ILE A 60 4.231 -1.326 -3.523 1.00 0.00 C ATOM 1028 C ILE A 60 5.519 -1.956 -4.054 1.00 0.00 C ATOM 1029 O ILE A 60 5.475 -2.924 -4.815 1.00 0.00 O ATOM 1030 CB ILE A 60 3.771 -0.147 -4.435 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.263 0.111 -4.272 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.083 -0.437 -5.902 1.00 0.00 C ATOM 1033 CD1 ILE A 60 1.867 0.636 -2.911 1.00 0.00 C ATOM 0 H ILE A 60 4.185 0.075 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 60 3.441 -2.076 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 60 4.321 0.742 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.944 0.825 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.725 -0.818 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.752 0.400 -6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.157 -0.576 -6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.562 -1.343 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.788 0.791 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.152 -0.086 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.375 1.582 -2.724 1.00 0.00 H new ATOM 1045 N LEU A 61 6.662 -1.419 -3.620 1.00 0.00 N ATOM 1046 CA LEU A 61 7.960 -1.949 -4.026 1.00 0.00 C ATOM 1047 C LEU A 61 8.058 -3.430 -3.633 1.00 0.00 C ATOM 1048 O LEU A 61 8.641 -4.242 -4.358 1.00 0.00 O ATOM 1049 CB LEU A 61 9.092 -1.124 -3.387 1.00 0.00 C ATOM 1050 CG LEU A 61 10.474 -1.255 -4.036 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.341 -0.076 -3.627 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.154 -2.565 -3.640 1.00 0.00 C ATOM 0 H LEU A 61 6.712 -0.619 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 61 8.063 -1.874 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.803 -0.073 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.177 -1.412 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 61 10.345 -1.260 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.324 -0.170 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.872 0.852 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.449 -0.063 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.132 -2.626 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.276 -2.599 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.540 -3.406 -3.962 1.00 0.00 H new ATOM 1064 N LYS A 62 7.460 -3.788 -2.497 1.00 0.00 N ATOM 1065 CA LYS A 62 7.463 -5.174 -2.034 1.00 0.00 C ATOM 1066 C LYS A 62 6.090 -5.842 -2.203 1.00 0.00 C ATOM 1067 O LYS A 62 5.683 -6.688 -1.396 1.00 0.00 O ATOM 1068 CB LYS A 62 7.902 -5.236 -0.570 1.00 0.00 C ATOM 1069 CG LYS A 62 9.209 -5.997 -0.350 1.00 0.00 C ATOM 1070 CD LYS A 62 9.065 -7.480 -0.683 1.00 0.00 C ATOM 1071 CE LYS A 62 8.135 -8.187 0.286 1.00 0.00 C ATOM 1072 NZ LYS A 62 7.903 -9.607 -0.093 1.00 0.00 N ATOM 0 H LYS A 62 6.969 -3.139 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 62 8.172 -5.725 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.016 -4.220 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.114 -5.709 0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.993 -5.560 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.524 -5.886 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.684 -7.589 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.046 -7.955 -0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.558 -8.145 1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.181 -7.661 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.263 -10.050 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.475 -9.648 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.809 -10.117 -0.101 1.00 0.00 H new ATOM 1086 N LYS A 63 5.402 -5.509 -3.287 1.00 0.00 N ATOM 1087 CA LYS A 63 4.121 -6.113 -3.600 1.00 0.00 C ATOM 1088 C LYS A 63 4.210 -6.731 -4.994 1.00 0.00 C ATOM 1089 O LYS A 63 5.265 -7.227 -5.380 1.00 0.00 O ATOM 1090 CB LYS A 63 2.982 -5.091 -3.515 1.00 0.00 C ATOM 1091 CG LYS A 63 2.596 -4.701 -2.092 1.00 0.00 C ATOM 1092 CD LYS A 63 2.167 -5.915 -1.269 1.00 0.00 C ATOM 1093 CE LYS A 63 1.683 -5.512 0.120 1.00 0.00 C ATOM 1094 NZ LYS A 63 1.450 -6.685 1.010 1.00 0.00 N ATOM 0 H LYS A 63 5.716 -4.817 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 63 3.895 -6.888 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.274 -4.193 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.105 -5.498 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.441 -4.213 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.783 -3.976 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.372 -6.446 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.005 -6.606 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.419 -4.853 0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.759 -4.942 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.950 -6.376 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.874 -7.392 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.363 -7.107 1.274 1.00 0.00 H new ATOM 1108 N ASP A 64 3.122 -6.706 -5.743 1.00 0.00 N ATOM 1109 CA ASP A 64 3.112 -7.287 -7.084 1.00 0.00 C ATOM 1110 C ASP A 64 2.276 -6.480 -8.046 1.00 0.00 C ATOM 1111 O ASP A 64 1.783 -5.404 -7.708 1.00 0.00 O ATOM 1112 CB ASP A 64 2.595 -8.730 -7.037 1.00 0.00 C ATOM 1113 CG ASP A 64 1.171 -8.837 -6.510 1.00 0.00 C ATOM 1114 OD1 ASP A 64 0.611 -7.814 -6.059 1.00 0.00 O ATOM 1115 OD2 ASP A 64 0.608 -9.951 -6.540 1.00 0.00 O ATOM 0 H ASP A 64 2.236 -6.293 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 64 4.140 -7.277 -7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.639 -9.158 -8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.255 -9.326 -6.407 1.00 0.00 H new ATOM 1120 N ASN A 65 2.139 -7.017 -9.249 1.00 0.00 N ATOM 1121 CA ASN A 65 1.379 -6.382 -10.309 1.00 0.00 C ATOM 1122 C ASN A 65 -0.030 -6.083 -9.828 1.00 0.00 C ATOM 1123 O ASN A 65 -0.532 -4.975 -9.993 1.00 0.00 O ATOM 1124 CB ASN A 65 1.341 -7.312 -11.526 1.00 0.00 C ATOM 1125 CG ASN A 65 0.948 -6.611 -12.811 1.00 0.00 C ATOM 1126 OD1 ASN A 65 -0.122 -6.022 -12.924 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.815 -6.693 -13.800 1.00 0.00 N ATOM 0 H ASN A 65 2.555 -7.909 -9.516 1.00 0.00 H new ATOM 0 HA ASN A 65 1.854 -5.442 -10.590 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.323 -7.768 -11.656 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.637 -8.121 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.606 -6.258 -14.698 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.695 -7.192 -13.667 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.648 -7.081 -9.227 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.004 -6.956 -8.712 1.00 0.00 C ATOM 1136 C ASP A 66 -2.165 -5.749 -7.775 1.00 0.00 C ATOM 1137 O ASP A 66 -3.076 -4.934 -7.954 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.399 -8.241 -7.982 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.896 -8.382 -7.800 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.648 -7.567 -8.368 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.323 -9.322 -7.098 1.00 0.00 O ATOM 0 H ASP A 66 -0.229 -7.999 -9.081 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.664 -6.793 -9.564 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.024 -9.099 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.916 -8.260 -7.005 1.00 0.00 H new ATOM 1146 N SER A 67 -1.281 -5.622 -6.784 1.00 0.00 N ATOM 1147 CA SER A 67 -1.371 -4.496 -5.849 1.00 0.00 C ATOM 1148 C SER A 67 -0.956 -3.210 -6.515 1.00 0.00 C ATOM 1149 O SER A 67 -1.436 -2.140 -6.162 1.00 0.00 O ATOM 1150 CB SER A 67 -0.483 -4.687 -4.631 1.00 0.00 C ATOM 1151 OG SER A 67 -0.291 -6.057 -4.322 1.00 0.00 O ATOM 0 H SER A 67 -0.511 -6.268 -6.609 1.00 0.00 H new ATOM 0 HA SER A 67 -2.414 -4.451 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.484 -4.217 -4.810 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.929 -4.181 -3.775 1.00 0.00 H new ATOM 0 HG SER A 67 0.363 -6.443 -4.941 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.049 -3.314 -7.459 1.00 0.00 N ATOM 1158 CA TYR A 68 0.440 -2.149 -8.151 1.00 0.00 C ATOM 1159 C TYR A 68 -0.665 -1.557 -9.019 1.00 0.00 C ATOM 1160 O TYR A 68 -0.822 -0.341 -9.065 1.00 0.00 O ATOM 1161 CB TYR A 68 1.676 -2.517 -8.966 1.00 0.00 C ATOM 1162 CG TYR A 68 2.314 -1.354 -9.676 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.226 -0.059 -9.178 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.993 -1.556 -10.858 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.801 0.996 -9.849 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.564 -0.508 -11.533 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.469 0.760 -11.029 1.00 0.00 C ATOM 1168 OH TYR A 68 4.038 1.797 -11.710 1.00 0.00 O ATOM 0 H TYR A 68 0.364 -4.195 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 68 0.733 -1.385 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.412 -2.972 -8.304 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.400 -3.272 -9.703 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.700 0.121 -8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.077 -2.555 -11.259 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.729 1.999 -9.454 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.088 -0.683 -12.461 1.00 0.00 H new ATOM 0 HH TYR A 68 4.981 1.596 -11.883 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.456 -2.405 -9.666 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.561 -1.907 -10.469 1.00 0.00 C ATOM 1180 C VAL A 69 -3.616 -1.326 -9.529 1.00 0.00 C ATOM 1181 O VAL A 69 -4.321 -0.387 -9.877 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.190 -2.981 -11.383 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.174 -2.345 -12.350 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.117 -3.722 -12.164 1.00 0.00 C ATOM 0 H VAL A 69 -1.355 -3.420 -9.651 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.168 -1.142 -11.139 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.719 -3.693 -10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.608 -3.116 -12.987 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.966 -1.849 -11.789 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.655 -1.613 -12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.584 -4.473 -12.801 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.564 -3.015 -12.783 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.433 -4.209 -11.470 1.00 0.00 H new ATOM 1194 N SER A 70 -3.670 -1.856 -8.303 1.00 0.00 N ATOM 1195 CA SER A 70 -4.590 -1.340 -7.289 1.00 0.00 C ATOM 1196 C SER A 70 -4.092 0.037 -6.859 1.00 0.00 C ATOM 1197 O SER A 70 -4.848 1.004 -6.872 1.00 0.00 O ATOM 1198 CB SER A 70 -4.671 -2.296 -6.093 1.00 0.00 C ATOM 1199 OG SER A 70 -5.571 -1.813 -5.099 1.00 0.00 O ATOM 0 H SER A 70 -3.091 -2.636 -7.992 1.00 0.00 H new ATOM 0 HA SER A 70 -5.596 -1.258 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.996 -3.279 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.679 -2.421 -5.658 1.00 0.00 H new ATOM 0 HG SER A 70 -6.488 -2.059 -5.341 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.798 0.132 -6.519 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.206 1.428 -6.148 1.00 0.00 C ATOM 1207 C PHE A 71 -2.404 2.426 -7.305 1.00 0.00 C ATOM 1208 O PHE A 71 -2.748 3.584 -7.093 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.716 1.251 -5.796 1.00 0.00 C ATOM 1210 CG PHE A 71 0.107 2.512 -5.831 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.163 3.566 -4.972 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.175 2.627 -6.710 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.612 4.711 -4.993 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.955 3.768 -6.733 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.674 4.811 -5.875 1.00 0.00 C ATOM 0 H PHE A 71 -2.151 -0.656 -6.493 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.704 1.825 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.644 0.817 -4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.279 0.532 -6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.988 3.492 -4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.400 1.814 -7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.389 5.527 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.783 3.843 -7.422 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.281 5.704 -5.891 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.235 1.924 -8.529 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.444 2.706 -9.751 1.00 0.00 C ATOM 1227 C TYR A 72 -3.885 3.219 -9.788 1.00 0.00 C ATOM 1228 O TYR A 72 -4.148 4.398 -10.027 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.168 1.799 -10.962 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.702 2.302 -12.287 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.201 3.452 -12.877 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -3.715 1.616 -12.945 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.697 3.904 -14.086 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.214 2.062 -14.153 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.701 3.208 -14.720 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.198 3.663 -15.924 1.00 0.00 O ATOM 0 H TYR A 72 -1.948 0.961 -8.703 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.770 3.563 -9.775 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.091 1.661 -11.053 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.599 0.818 -10.765 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.412 4.003 -12.386 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.120 0.717 -12.504 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.297 4.802 -14.532 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.002 1.516 -14.650 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.901 3.057 -16.238 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.796 2.300 -9.522 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.234 2.562 -9.479 1.00 0.00 C ATOM 1248 C ASN A 73 -6.565 3.641 -8.449 1.00 0.00 C ATOM 1249 O ASN A 73 -7.423 4.495 -8.676 1.00 0.00 O ATOM 1250 CB ASN A 73 -6.946 1.250 -9.129 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.458 1.307 -9.228 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.115 2.132 -8.602 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.014 0.392 -9.993 1.00 0.00 N ATOM 0 H ASN A 73 -4.557 1.328 -9.325 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.570 2.927 -10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.581 0.466 -9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.672 0.963 -8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.029 0.350 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.430 -0.275 -10.497 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.878 3.597 -7.314 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.085 4.563 -6.248 1.00 0.00 C ATOM 1262 C ALA A 74 -5.707 5.971 -6.707 1.00 0.00 C ATOM 1263 O ALA A 74 -6.342 6.951 -6.319 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.290 4.159 -5.023 1.00 0.00 C ATOM 0 H ALA A 74 -5.167 2.895 -7.110 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.143 4.575 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.450 4.888 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.617 3.176 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.230 4.122 -5.273 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.691 6.060 -7.565 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.248 7.342 -8.110 1.00 0.00 C ATOM 1272 C LEU A 75 -5.345 7.937 -8.988 1.00 0.00 C ATOM 1273 O LEU A 75 -5.514 9.158 -9.061 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.963 7.161 -8.923 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.766 6.614 -8.139 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.700 6.101 -9.090 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.179 7.687 -7.237 1.00 0.00 C ATOM 0 H LEU A 75 -4.158 5.257 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.042 8.023 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.170 6.488 -9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.686 8.123 -9.353 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.116 5.789 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.144 5.716 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.115 5.303 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.362 6.915 -9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.330 7.278 -6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.847 8.530 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.938 8.024 -6.531 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.108 7.060 -9.641 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.208 7.495 -10.496 1.00 0.00 C ATOM 1291 C LEU A 76 -8.449 7.796 -9.658 1.00 0.00 C ATOM 1292 O LEU A 76 -9.371 8.476 -10.116 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.540 6.434 -11.556 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.712 6.495 -12.840 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.277 6.105 -12.585 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.320 5.614 -13.913 1.00 0.00 C ATOM 0 H LEU A 76 -5.984 6.049 -9.593 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.892 8.405 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.411 5.448 -11.109 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.593 6.529 -11.820 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.722 7.526 -13.193 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.714 6.158 -13.517 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.838 6.787 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.240 5.087 -12.197 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.715 5.672 -14.818 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.350 4.582 -13.563 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.333 5.953 -14.131 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.462 7.301 -8.424 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.585 7.540 -7.535 1.00 0.00 C ATOM 1310 C HIS A 77 -9.521 8.966 -7.029 1.00 0.00 C ATOM 1311 O HIS A 77 -10.544 9.605 -6.792 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.597 6.559 -6.356 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.959 5.990 -6.095 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -12.027 6.752 -5.683 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.435 4.730 -6.235 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.103 5.993 -5.586 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -12.771 4.757 -5.919 1.00 0.00 N ATOM 0 H HIS A 77 -7.713 6.737 -8.023 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.507 7.383 -8.095 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.900 5.746 -6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.242 7.069 -5.460 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.868 3.863 -6.539 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -14.086 6.325 -5.286 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -13.403 3.956 -5.938 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.307 9.467 -6.899 1.00 0.00 N ATOM 1327 CA GLU A 78 -8.099 10.824 -6.456 1.00 0.00 C ATOM 1328 C GLU A 78 -7.621 11.681 -7.632 1.00 0.00 C ATOM 1329 O GLU A 78 -8.065 11.477 -8.764 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.127 10.855 -5.271 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.622 10.062 -4.073 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.990 10.522 -3.593 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.402 11.649 -3.932 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.655 9.761 -2.858 1.00 0.00 O ATOM 0 H GLU A 78 -7.450 8.949 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.039 11.247 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.163 10.458 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.962 11.890 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.670 9.005 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.904 10.156 -3.258 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.747 12.639 -7.382 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.284 13.499 -8.461 1.00 0.00 C ATOM 1343 C GLY A 79 -4.833 13.283 -8.860 1.00 0.00 C ATOM 1344 O GLY A 79 -4.072 14.244 -8.956 1.00 0.00 O ATOM 0 H GLY A 79 -6.350 12.840 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.916 13.337 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.414 14.539 -8.161 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.437 12.035 -9.101 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.061 11.754 -9.500 1.00 0.00 C ATOM 1350 C TYR A 80 -3.029 10.813 -10.702 1.00 0.00 C ATOM 1351 O TYR A 80 -2.252 9.855 -10.740 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.281 11.156 -8.328 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.383 11.980 -7.062 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -3.421 11.782 -6.154 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -1.451 12.967 -6.783 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -3.519 12.546 -5.007 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -1.544 13.736 -5.639 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.580 13.521 -4.756 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.678 14.290 -3.618 1.00 0.00 O ATOM 0 H TYR A 80 -5.039 11.215 -9.028 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.587 12.692 -9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.650 10.150 -8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.232 11.061 -8.609 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.160 11.020 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.637 13.138 -7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.328 12.379 -4.311 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.809 14.501 -5.438 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.831 13.710 -2.843 1.00 0.00 H new ATOM 1369 N LYS A 81 -3.886 11.087 -11.681 1.00 0.00 N ATOM 1370 CA LYS A 81 -3.972 10.267 -12.882 1.00 0.00 C ATOM 1371 C LYS A 81 -2.778 10.493 -13.811 1.00 0.00 C ATOM 1372 O LYS A 81 -2.491 9.661 -14.668 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.288 10.540 -13.625 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.522 12.005 -13.973 1.00 0.00 C ATOM 1375 CD LYS A 81 -6.874 12.201 -14.633 1.00 0.00 C ATOM 1376 CE LYS A 81 -7.179 13.674 -14.874 1.00 0.00 C ATOM 1377 NZ LYS A 81 -8.513 13.866 -15.494 1.00 0.00 N ATOM 0 H LYS A 81 -4.533 11.875 -11.664 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.952 9.223 -12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.300 9.954 -14.544 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.117 10.188 -13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.464 12.610 -13.068 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.734 12.354 -14.641 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.896 11.665 -15.582 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.652 11.767 -14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.137 14.213 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.413 14.103 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.684 14.881 -15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.545 13.372 -16.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.246 13.479 -14.866 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.078 11.610 -13.643 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.915 11.909 -14.482 1.00 0.00 C ATOM 1393 C ASP A 82 0.251 11.012 -14.104 1.00 0.00 C ATOM 1394 O ASP A 82 0.878 10.405 -14.973 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.512 13.388 -14.384 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.486 14.310 -15.095 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -2.678 14.344 -14.710 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -1.067 15.018 -16.033 1.00 0.00 O ATOM 0 H ASP A 82 -2.290 12.319 -12.941 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.191 11.712 -15.518 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.448 13.674 -13.334 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.482 13.518 -14.811 1.00 0.00 H new ATOM 1403 N LEU A 83 0.520 10.898 -12.812 1.00 0.00 N ATOM 1404 CA LEU A 83 1.594 10.031 -12.343 1.00 0.00 C ATOM 1405 C LEU A 83 1.246 8.599 -12.722 1.00 0.00 C ATOM 1406 O LEU A 83 2.069 7.864 -13.253 1.00 0.00 O ATOM 1407 CB LEU A 83 1.759 10.157 -10.821 1.00 0.00 C ATOM 1408 CG LEU A 83 3.188 10.011 -10.262 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.807 8.659 -10.591 1.00 0.00 C ATOM 1410 CD2 LEU A 83 4.079 11.128 -10.767 1.00 0.00 C ATOM 0 H LEU A 83 0.015 11.389 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 83 2.538 10.322 -12.805 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.373 11.130 -10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.130 9.403 -10.348 1.00 0.00 H new ATOM 0 HG LEU A 83 3.108 10.078 -9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.813 8.608 -10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.196 7.865 -10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.856 8.535 -11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.083 11.005 -10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.122 11.095 -11.856 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.674 12.089 -10.449 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.001 8.228 -12.467 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.493 6.895 -12.796 1.00 0.00 C ATOM 1424 C ALA A 84 -0.333 6.595 -14.285 1.00 0.00 C ATOM 1425 O ALA A 84 0.056 5.493 -14.660 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.946 6.763 -12.385 1.00 0.00 C ATOM 0 H ALA A 84 -0.695 8.835 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 84 0.103 6.168 -12.244 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.305 5.765 -12.634 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.036 6.923 -11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.543 7.506 -12.914 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.621 7.584 -15.136 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.480 7.411 -16.581 1.00 0.00 C ATOM 1434 C ALA A 85 0.975 7.136 -16.929 1.00 0.00 C ATOM 1435 O ALA A 85 1.269 6.325 -17.805 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.991 8.633 -17.330 1.00 0.00 C ATOM 0 H ALA A 85 -0.951 8.506 -14.850 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.084 6.558 -16.889 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.874 8.478 -18.403 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.045 8.787 -17.098 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.420 9.511 -17.026 1.00 0.00 H new ATOM 1442 N LEU A 86 1.881 7.782 -16.205 1.00 0.00 N ATOM 1443 CA LEU A 86 3.316 7.566 -16.401 1.00 0.00 C ATOM 1444 C LEU A 86 3.667 6.105 -16.124 1.00 0.00 C ATOM 1445 O LEU A 86 4.613 5.561 -16.682 1.00 0.00 O ATOM 1446 CB LEU A 86 4.122 8.453 -15.449 1.00 0.00 C ATOM 1447 CG LEU A 86 4.022 9.953 -15.705 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.582 10.734 -14.523 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.777 10.311 -16.966 1.00 0.00 C ATOM 0 H LEU A 86 1.652 8.459 -15.477 1.00 0.00 H new ATOM 0 HA LEU A 86 3.562 7.818 -17.432 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.793 8.254 -14.429 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.170 8.161 -15.509 1.00 0.00 H new ATOM 0 HG LEU A 86 2.972 10.217 -15.829 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.503 11.803 -14.723 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.016 10.490 -13.624 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.629 10.469 -14.375 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.702 11.384 -17.143 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.825 10.035 -16.853 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.349 9.773 -17.812 1.00 0.00 H new ATOM 1461 N LEU A 87 2.896 5.499 -15.226 1.00 0.00 N ATOM 1462 CA LEU A 87 3.100 4.111 -14.804 1.00 0.00 C ATOM 1463 C LEU A 87 2.287 3.141 -15.644 1.00 0.00 C ATOM 1464 O LEU A 87 2.566 1.941 -15.668 1.00 0.00 O ATOM 1465 CB LEU A 87 2.676 3.963 -13.353 1.00 0.00 C ATOM 1466 CG LEU A 87 3.622 4.522 -12.287 1.00 0.00 C ATOM 1467 CD1 LEU A 87 4.214 5.858 -12.674 1.00 0.00 C ATOM 1468 CD2 LEU A 87 2.886 4.643 -10.966 1.00 0.00 C ATOM 0 H LEU A 87 2.108 5.956 -14.767 1.00 0.00 H new ATOM 0 HA LEU A 87 4.157 3.877 -14.931 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.707 4.448 -13.233 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.528 2.902 -13.151 1.00 0.00 H new ATOM 0 HG LEU A 87 4.453 3.823 -12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.876 6.206 -11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.780 5.751 -13.599 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.413 6.582 -12.821 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.561 5.041 -10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.036 5.315 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.532 3.660 -10.656 1.00 0.00 H new ATOM 1480 N HIS A 88 1.269 3.668 -16.313 1.00 0.00 N ATOM 1481 CA HIS A 88 0.370 2.878 -17.149 1.00 0.00 C ATOM 1482 C HIS A 88 1.135 2.198 -18.271 1.00 0.00 C ATOM 1483 O HIS A 88 0.649 1.245 -18.880 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.723 3.775 -17.737 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.947 3.026 -18.179 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.938 3.581 -18.949 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.314 1.752 -17.964 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.860 2.673 -19.197 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.504 1.544 -18.618 1.00 0.00 N ATOM 0 H HIS A 88 1.041 4.662 -16.291 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.089 2.110 -16.527 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.011 4.517 -16.992 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.314 4.320 -18.588 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.771 1.022 -17.382 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.757 2.828 -19.778 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.023 0.666 -18.650 1.00 0.00 H new ATOM 1498 N ASP A 89 2.342 2.682 -18.514 1.00 0.00 N ATOM 1499 CA ASP A 89 3.209 2.117 -19.547 1.00 0.00 C ATOM 1500 C ASP A 89 3.524 0.660 -19.205 1.00 0.00 C ATOM 1501 O ASP A 89 3.689 -0.187 -20.085 1.00 0.00 O ATOM 1502 CB ASP A 89 4.508 2.924 -19.652 1.00 0.00 C ATOM 1503 CG ASP A 89 5.373 2.506 -20.829 1.00 0.00 C ATOM 1504 OD1 ASP A 89 4.881 1.778 -21.711 1.00 0.00 O ATOM 1505 OD2 ASP A 89 6.548 2.923 -20.888 1.00 0.00 O ATOM 0 H ASP A 89 2.750 3.469 -18.009 1.00 0.00 H new ATOM 0 HA ASP A 89 2.696 2.161 -20.508 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.265 3.983 -19.745 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.077 2.807 -18.730 1.00 0.00 H new ATOM 1510 N GLY A 90 3.591 0.379 -17.912 1.00 0.00 N ATOM 1511 CA GLY A 90 3.878 -0.965 -17.460 1.00 0.00 C ATOM 1512 C GLY A 90 2.643 -1.721 -17.005 1.00 0.00 C ATOM 1513 O GLY A 90 2.703 -2.933 -16.806 1.00 0.00 O ATOM 0 H GLY A 90 3.451 1.061 -17.166 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.357 -1.518 -18.268 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.592 -0.920 -16.637 1.00 0.00 H new ATOM 1517 N ILE A 91 1.530 -1.013 -16.812 1.00 0.00 N ATOM 1518 CA ILE A 91 0.297 -1.648 -16.354 1.00 0.00 C ATOM 1519 C ILE A 91 -0.491 -2.247 -17.528 1.00 0.00 C ATOM 1520 O ILE A 91 -1.038 -1.515 -18.360 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.608 -0.642 -15.605 1.00 0.00 C ATOM 1522 CG1 ILE A 91 0.180 0.108 -14.527 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -1.796 -1.356 -14.992 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.947 -0.785 -13.575 1.00 0.00 C ATOM 0 H ILE A 91 1.458 -0.007 -16.965 1.00 0.00 H new ATOM 0 HA ILE A 91 0.589 -2.446 -15.672 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.973 0.089 -16.327 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.881 0.787 -15.013 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.511 0.723 -13.951 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.423 -0.635 -14.468 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.376 -1.838 -15.779 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.444 -2.109 -14.287 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.475 -0.171 -12.846 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.252 -1.446 -13.057 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.666 -1.382 -14.136 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.558 -3.589 -17.617 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.270 -4.278 -18.697 1.00 0.00 C ATOM 1538 C PRO A 92 -2.782 -4.282 -18.488 1.00 0.00 C ATOM 1539 O PRO A 92 -3.552 -4.417 -19.442 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.707 -5.697 -18.630 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.339 -5.892 -17.202 1.00 0.00 C ATOM 1542 CD PRO A 92 0.068 -4.537 -16.679 1.00 0.00 C ATOM 0 HA PRO A 92 -1.127 -3.793 -19.662 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.445 -6.431 -18.952 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.160 -5.810 -19.281 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.180 -6.291 -16.635 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.478 -6.607 -17.105 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.284 -4.381 -15.659 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.152 -4.425 -16.663 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.202 -4.110 -17.244 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.617 -4.073 -16.905 1.00 0.00 C ATOM 1552 C VAL A 93 -5.178 -2.696 -17.226 1.00 0.00 C ATOM 1553 O VAL A 93 -4.620 -1.674 -16.819 1.00 0.00 O ATOM 1554 CB VAL A 93 -4.856 -4.398 -15.417 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -6.332 -4.298 -15.070 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -4.331 -5.785 -15.076 1.00 0.00 C ATOM 0 H VAL A 93 -2.577 -3.993 -16.446 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.126 -4.833 -17.497 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.311 -3.664 -14.824 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.474 -4.532 -14.015 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.685 -3.286 -15.268 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.897 -5.005 -15.678 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.510 -5.993 -14.021 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.845 -6.529 -15.685 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.261 -5.829 -15.277 1.00 0.00 H new ATOM 1566 N VAL A 94 -6.268 -2.667 -17.971 1.00 0.00 N ATOM 1567 CA VAL A 94 -6.882 -1.412 -18.354 1.00 0.00 C ATOM 1568 C VAL A 94 -8.291 -1.280 -17.762 1.00 0.00 C ATOM 1569 O VAL A 94 -9.301 -1.518 -18.426 1.00 0.00 O ATOM 1570 CB VAL A 94 -6.890 -1.233 -19.898 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -7.549 -2.412 -20.606 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -7.549 0.078 -20.294 1.00 0.00 C ATOM 0 H VAL A 94 -6.745 -3.498 -18.322 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.277 -0.606 -17.939 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.850 -1.202 -20.223 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.533 -2.245 -21.683 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.005 -3.327 -20.372 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.581 -2.508 -20.269 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.540 0.176 -21.380 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.579 0.090 -19.937 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.001 0.909 -19.850 1.00 0.00 H new ATOM 1582 N SER A 95 -8.340 -0.893 -16.494 1.00 0.00 N ATOM 1583 CA SER A 95 -9.605 -0.717 -15.802 1.00 0.00 C ATOM 1584 C SER A 95 -10.292 0.559 -16.278 1.00 0.00 C ATOM 1585 O SER A 95 -10.071 1.643 -15.735 1.00 0.00 O ATOM 1586 CB SER A 95 -9.384 -0.672 -14.286 1.00 0.00 C ATOM 1587 OG SER A 95 -8.857 -1.903 -13.814 1.00 0.00 O ATOM 0 H SER A 95 -7.516 -0.695 -15.926 1.00 0.00 H new ATOM 0 HA SER A 95 -10.249 -1.566 -16.031 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.700 0.140 -14.038 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.327 -0.459 -13.783 1.00 0.00 H new ATOM 0 HG SER A 95 -8.722 -1.851 -12.845 1.00 0.00 H new ATOM 1593 N SER A 96 -11.111 0.414 -17.305 1.00 0.00 N ATOM 1594 CA SER A 96 -11.833 1.532 -17.881 1.00 0.00 C ATOM 1595 C SER A 96 -13.281 1.524 -17.409 1.00 0.00 C ATOM 1596 O SER A 96 -13.849 2.572 -17.096 1.00 0.00 O ATOM 1597 CB SER A 96 -11.760 1.466 -19.411 1.00 0.00 C ATOM 1598 OG SER A 96 -12.523 2.496 -20.017 1.00 0.00 O ATOM 0 H SER A 96 -11.293 -0.480 -17.761 1.00 0.00 H new ATOM 0 HA SER A 96 -11.372 2.463 -17.550 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.721 1.547 -19.730 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.123 0.496 -19.751 1.00 0.00 H new ATOM 0 HG SER A 96 -12.453 2.425 -20.992 1.00 0.00 H new ATOM 1604 N SER A 97 -13.867 0.338 -17.353 1.00 0.00 N ATOM 1605 CA SER A 97 -15.243 0.188 -16.917 1.00 0.00 C ATOM 1606 C SER A 97 -15.327 0.116 -15.390 1.00 0.00 C ATOM 1607 O SER A 97 -15.411 1.185 -14.752 1.00 0.00 O ATOM 1608 CB SER A 97 -15.861 -1.051 -17.567 1.00 0.00 C ATOM 1609 OG SER A 97 -14.934 -2.129 -17.604 1.00 0.00 O ATOM 1610 OXT SER A 97 -15.293 -1.001 -14.831 1.00 0.00 O ATOM 0 H SER A 97 -13.407 -0.537 -17.606 1.00 0.00 H new ATOM 0 HA SER A 97 -15.811 1.063 -17.233 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.750 -1.351 -17.012 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.184 -0.811 -18.580 1.00 0.00 H new ATOM 0 HG SER A 97 -14.552 -2.262 -16.712 1.00 0.00 H new TER 1616 SER A 97