USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 654 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 87 THR OG1 : rot 117:sc= -1.95! USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.05 K(o=-3,f=-11!) USER MOD Set 2.1: A 53 THR OG1 : rot 100:sc= 2.24 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.3: A 81 SER OG : rot 92:sc= 1.19 USER MOD Set 3.1: A 66 GLN : amide:sc= -1.73 K(o=-1.8,f=-7.5!) USER MOD Set 3.2: A 69 ASN : amide:sc= -0.033 K(o=-1.8,f=-2.9!) USER MOD Set 4.1: A 56 GLN : amide:sc= -8.18! C(o=-15!,f=-18!) USER MOD Set 4.2: A 59 GLN : amide:sc= -6.96! C(o=-15!,f=-19!) USER MOD Set 5.1: A 43 SER OG : rot 176:sc= 2.01 USER MOD Set 5.2: A 60 SER OG : rot 174:sc= 1.27 USER MOD Set 6.1: A 37 CYS SG : rot -110:sc= 1.52 USER MOD Set 6.2: A 42 CYS SG : rot 71:sc= 1.28 USER MOD Set 6.3: A 45 CYS SG : rot 180:sc= 1.15 USER MOD Set 6.4: A 75 CYS SG : rot 180:sc= -3.19! USER MOD Set 7.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 169:sc= -0.114 (180deg=-0.226) USER MOD Single : A 0 MET N :NH3+ -168:sc= 0.129 (180deg=-0.0871) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= -0.0298 (180deg=-0.414) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.429 USER MOD Single : A 9 SER OG : rot 124:sc= 1.28 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -77:sc= -5.75! USER MOD Single : A 20 THR OG1 : rot 55:sc= 1.19 USER MOD Single : A 21 TYR OH : rot 180:sc= 1 USER MOD Single : A 35 TYR OH : rot -138:sc= 1.23 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 1.05 (180deg=0.0732) USER MOD Single : A 57 SER OG : rot 93:sc= 1.13 USER MOD Single : A 67 MET CE :methyl 176:sc= -0.369 (180deg=-0.531) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -5.87! USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.067 F(o=-2,f=-0.067) USER MOD Single : A 89 GLN :FLIP amide:sc= -0.877 F(o=-1.5,f=-0.88) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -15.155 4.476 6.609 1.00 0.00 N ATOM 2 CA MET A 0 -13.789 4.030 6.387 1.00 0.00 C ATOM 3 C MET A 0 -12.902 5.234 6.135 1.00 0.00 C ATOM 4 O MET A 0 -13.368 6.374 6.184 1.00 0.00 O ATOM 5 CB MET A 0 -13.718 3.084 5.191 1.00 0.00 C ATOM 6 CG MET A 0 -14.911 2.153 5.073 1.00 0.00 C ATOM 7 SD MET A 0 -15.205 1.187 6.570 1.00 0.00 S ATOM 8 CE MET A 0 -16.653 0.250 6.088 1.00 0.00 C ATOM 0 H1 MET A 0 -15.722 3.687 6.979 1.00 0.00 H new ATOM 0 H2 MET A 0 -15.158 5.257 7.296 1.00 0.00 H new ATOM 0 H3 MET A 0 -15.563 4.804 5.711 1.00 0.00 H new ATOM 0 HA MET A 0 -13.447 3.495 7.273 1.00 0.00 H new ATOM 0 HB2 MET A 0 -13.638 3.674 4.278 1.00 0.00 H new ATOM 0 HB3 MET A 0 -12.809 2.487 5.266 1.00 0.00 H new ATOM 0 HG2 MET A 0 -15.801 2.740 4.845 1.00 0.00 H new ATOM 0 HG3 MET A 0 -14.753 1.474 4.235 1.00 0.00 H new ATOM 0 HE1 MET A 0 -16.843 -0.531 6.824 1.00 0.00 H new ATOM 0 HE2 MET A 0 -17.515 0.915 6.034 1.00 0.00 H new ATOM 0 HE3 MET A 0 -16.484 -0.205 5.112 1.00 0.00 H new ATOM 18 N TYR A 1 -11.633 4.988 5.869 1.00 0.00 N ATOM 19 CA TYR A 1 -10.714 6.065 5.553 1.00 0.00 C ATOM 20 C TYR A 1 -10.624 6.259 4.047 1.00 0.00 C ATOM 21 O TYR A 1 -10.617 5.291 3.282 1.00 0.00 O ATOM 22 CB TYR A 1 -9.323 5.795 6.116 1.00 0.00 C ATOM 23 CG TYR A 1 -9.291 5.550 7.608 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.459 4.275 8.138 1.00 0.00 C ATOM 25 CD2 TYR A 1 -9.064 6.598 8.491 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.403 4.061 9.501 1.00 0.00 C ATOM 27 CE2 TYR A 1 -9.012 6.387 9.853 1.00 0.00 C ATOM 28 CZ TYR A 1 -9.183 5.119 10.352 1.00 0.00 C ATOM 29 OH TYR A 1 -9.125 4.902 11.709 1.00 0.00 O ATOM 0 H TYR A 1 -11.217 4.057 5.865 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.101 6.973 6.015 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.901 4.928 5.608 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.680 6.644 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.636 3.441 7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -8.926 7.597 8.104 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.532 3.065 9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -8.838 7.215 10.524 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.962 5.752 12.169 1.00 0.00 H new ATOM 39 N LYS A 2 -10.552 7.514 3.639 1.00 0.00 N ATOM 40 CA LYS A 2 -10.474 7.874 2.232 1.00 0.00 C ATOM 41 C LYS A 2 -9.031 7.831 1.752 1.00 0.00 C ATOM 42 O LYS A 2 -8.236 8.725 2.042 1.00 0.00 O ATOM 43 CB LYS A 2 -11.079 9.272 2.023 1.00 0.00 C ATOM 44 CG LYS A 2 -10.791 9.886 0.669 1.00 0.00 C ATOM 45 CD LYS A 2 -11.257 11.334 0.585 1.00 0.00 C ATOM 46 CE LYS A 2 -12.774 11.451 0.617 1.00 0.00 C ATOM 47 NZ LYS A 2 -13.408 10.873 -0.599 1.00 0.00 N ATOM 0 H LYS A 2 -10.546 8.313 4.273 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.044 7.154 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.159 9.210 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.699 9.938 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.720 9.838 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.286 9.301 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.833 11.899 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.879 11.783 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.157 10.942 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.054 12.501 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.410 11.151 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.921 11.228 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.338 9.836 -0.568 1.00 0.00 H new ATOM 61 N VAL A 3 -8.694 6.775 1.036 1.00 0.00 N ATOM 62 CA VAL A 3 -7.355 6.603 0.521 1.00 0.00 C ATOM 63 C VAL A 3 -7.342 6.698 -1.006 1.00 0.00 C ATOM 64 O VAL A 3 -8.093 6.011 -1.698 1.00 0.00 O ATOM 65 CB VAL A 3 -6.732 5.267 1.019 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.777 4.411 1.719 1.00 0.00 C ATOM 67 CG2 VAL A 3 -6.057 4.487 -0.097 1.00 0.00 C ATOM 0 H VAL A 3 -9.337 6.020 0.798 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.736 7.413 0.906 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.955 5.529 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.319 3.482 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.176 4.953 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.586 4.184 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.639 3.564 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.789 4.248 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.258 5.089 -0.529 1.00 0.00 H new ATOM 77 N THR A 4 -6.512 7.595 -1.508 1.00 0.00 N ATOM 78 CA THR A 4 -6.312 7.759 -2.937 1.00 0.00 C ATOM 79 C THR A 4 -5.201 6.841 -3.400 1.00 0.00 C ATOM 80 O THR A 4 -4.032 7.099 -3.141 1.00 0.00 O ATOM 81 CB THR A 4 -5.933 9.214 -3.275 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.008 10.092 -2.923 1.00 0.00 O ATOM 83 CG2 THR A 4 -5.586 9.377 -4.756 1.00 0.00 C ATOM 0 H THR A 4 -5.957 8.231 -0.936 1.00 0.00 H new ATOM 0 HA THR A 4 -7.244 7.510 -3.445 1.00 0.00 H new ATOM 0 HB THR A 4 -5.046 9.472 -2.696 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.760 11.015 -3.139 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.324 10.416 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.741 8.735 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.446 9.096 -5.364 1.00 0.00 H new ATOM 91 N LEU A 5 -5.545 5.767 -4.069 1.00 0.00 N ATOM 92 CA LEU A 5 -4.539 4.848 -4.512 1.00 0.00 C ATOM 93 C LEU A 5 -3.988 5.270 -5.848 1.00 0.00 C ATOM 94 O LEU A 5 -4.722 5.479 -6.816 1.00 0.00 O ATOM 95 CB LEU A 5 -5.062 3.426 -4.537 1.00 0.00 C ATOM 96 CG LEU A 5 -4.877 2.695 -3.210 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.087 1.849 -2.899 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.630 1.828 -3.247 1.00 0.00 C ATOM 0 H LEU A 5 -6.503 5.515 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.718 4.868 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.122 3.440 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.551 2.872 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.760 3.441 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.937 1.335 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.969 2.486 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.230 1.114 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.515 1.315 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.722 1.092 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.757 2.454 -3.430 1.00 0.00 H new ATOM 110 N LYS A 6 -2.684 5.408 -5.872 1.00 0.00 N ATOM 111 CA LYS A 6 -1.976 5.860 -7.039 1.00 0.00 C ATOM 112 C LYS A 6 -1.480 4.660 -7.817 1.00 0.00 C ATOM 113 O LYS A 6 -0.554 3.950 -7.413 1.00 0.00 O ATOM 114 CB LYS A 6 -0.819 6.738 -6.579 1.00 0.00 C ATOM 115 CG LYS A 6 -1.262 7.731 -5.533 1.00 0.00 C ATOM 116 CD LYS A 6 -1.902 8.948 -6.177 1.00 0.00 C ATOM 117 CE LYS A 6 -0.877 10.039 -6.386 1.00 0.00 C ATOM 118 NZ LYS A 6 -1.386 11.152 -7.228 1.00 0.00 N ATOM 0 H LYS A 6 -2.082 5.207 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.626 6.440 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.024 6.112 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.402 7.270 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.972 7.258 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.406 8.040 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.345 8.670 -7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.711 9.317 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.570 10.433 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.011 9.613 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.643 11.871 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.655 10.785 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.217 11.580 -6.772 1.00 0.00 H new ATOM 132 N THR A 7 -2.138 4.438 -8.924 1.00 0.00 N ATOM 133 CA THR A 7 -1.884 3.297 -9.771 1.00 0.00 C ATOM 134 C THR A 7 -1.117 3.749 -11.005 1.00 0.00 C ATOM 135 O THR A 7 -1.071 4.941 -11.310 1.00 0.00 O ATOM 136 CB THR A 7 -3.214 2.628 -10.206 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.923 3.478 -11.112 1.00 0.00 O ATOM 138 CG2 THR A 7 -4.106 2.337 -9.004 1.00 0.00 C ATOM 0 H THR A 7 -2.876 5.051 -9.270 1.00 0.00 H new ATOM 0 HA THR A 7 -1.297 2.569 -9.211 1.00 0.00 H new ATOM 0 HB THR A 7 -2.963 1.688 -10.696 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.760 3.044 -11.381 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.030 1.868 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.587 1.665 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.339 3.269 -8.490 1.00 0.00 H new ATOM 146 N PRO A 8 -0.485 2.811 -11.716 1.00 0.00 N ATOM 147 CA PRO A 8 0.170 3.104 -12.991 1.00 0.00 C ATOM 148 C PRO A 8 -0.838 3.509 -14.066 1.00 0.00 C ATOM 149 O PRO A 8 -0.461 3.940 -15.156 1.00 0.00 O ATOM 150 CB PRO A 8 0.858 1.792 -13.369 1.00 0.00 C ATOM 151 CG PRO A 8 0.837 0.948 -12.138 1.00 0.00 C ATOM 152 CD PRO A 8 -0.331 1.407 -11.323 1.00 0.00 C ATOM 0 HA PRO A 8 0.863 3.941 -12.907 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.335 1.299 -14.189 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.880 1.969 -13.703 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.740 -0.107 -12.394 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.766 1.056 -11.578 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.227 0.827 -11.542 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.140 1.307 -10.255 1.00 0.00 H new ATOM 160 N SER A 9 -2.120 3.355 -13.747 1.00 0.00 N ATOM 161 CA SER A 9 -3.194 3.730 -14.642 1.00 0.00 C ATOM 162 C SER A 9 -3.751 5.110 -14.278 1.00 0.00 C ATOM 163 O SER A 9 -4.271 5.829 -15.133 1.00 0.00 O ATOM 164 CB SER A 9 -4.296 2.678 -14.559 1.00 0.00 C ATOM 165 OG SER A 9 -3.770 1.370 -14.744 1.00 0.00 O ATOM 0 H SER A 9 -2.437 2.966 -12.859 1.00 0.00 H new ATOM 0 HA SER A 9 -2.809 3.783 -15.660 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.791 2.741 -13.590 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.053 2.879 -15.317 1.00 0.00 H new ATOM 0 HG SER A 9 -4.002 0.812 -13.973 1.00 0.00 H new ATOM 171 N GLY A 10 -3.644 5.471 -13.004 1.00 0.00 N ATOM 172 CA GLY A 10 -4.141 6.752 -12.544 1.00 0.00 C ATOM 173 C GLY A 10 -4.277 6.802 -11.032 1.00 0.00 C ATOM 174 O GLY A 10 -3.407 6.326 -10.311 1.00 0.00 O ATOM 0 H GLY A 10 -3.219 4.894 -12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.466 7.542 -12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.110 6.950 -13.002 1.00 0.00 H new ATOM 178 N ASP A 11 -5.365 7.380 -10.554 1.00 0.00 N ATOM 179 CA ASP A 11 -5.624 7.472 -9.122 1.00 0.00 C ATOM 180 C ASP A 11 -7.106 7.297 -8.848 1.00 0.00 C ATOM 181 O ASP A 11 -7.951 7.768 -9.610 1.00 0.00 O ATOM 182 CB ASP A 11 -5.139 8.815 -8.564 1.00 0.00 C ATOM 183 CG ASP A 11 -5.797 10.005 -9.232 1.00 0.00 C ATOM 184 OD1 ASP A 11 -5.333 10.412 -10.319 1.00 0.00 O ATOM 185 OD2 ASP A 11 -6.776 10.544 -8.673 1.00 0.00 O ATOM 0 H ASP A 11 -6.090 7.796 -11.139 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.073 6.675 -8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.338 8.850 -7.493 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.059 8.886 -8.690 1.00 0.00 H new ATOM 190 N LYS A 12 -7.409 6.590 -7.775 1.00 0.00 N ATOM 191 CA LYS A 12 -8.785 6.325 -7.392 1.00 0.00 C ATOM 192 C LYS A 12 -8.908 6.350 -5.881 1.00 0.00 C ATOM 193 O LYS A 12 -8.027 5.866 -5.170 1.00 0.00 O ATOM 194 CB LYS A 12 -9.216 4.958 -7.920 1.00 0.00 C ATOM 195 CG LYS A 12 -10.661 4.572 -7.603 1.00 0.00 C ATOM 196 CD LYS A 12 -11.658 5.309 -8.481 1.00 0.00 C ATOM 197 CE LYS A 12 -11.624 4.790 -9.910 1.00 0.00 C ATOM 198 NZ LYS A 12 -12.671 5.418 -10.760 1.00 0.00 N ATOM 0 H LYS A 12 -6.714 6.185 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.429 7.093 -7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.080 4.943 -9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.553 4.199 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.786 3.498 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.872 4.789 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.662 5.192 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.434 6.376 -8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.642 4.984 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.762 3.709 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.611 5.035 -11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.610 5.212 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.525 6.447 -10.787 1.00 0.00 H new ATOM 212 N THR A 13 -9.990 6.912 -5.395 1.00 0.00 N ATOM 213 CA THR A 13 -10.231 6.973 -3.972 1.00 0.00 C ATOM 214 C THR A 13 -11.064 5.794 -3.513 1.00 0.00 C ATOM 215 O THR A 13 -12.174 5.567 -3.997 1.00 0.00 O ATOM 216 CB THR A 13 -10.953 8.265 -3.600 1.00 0.00 C ATOM 217 OG1 THR A 13 -10.191 9.396 -4.050 1.00 0.00 O ATOM 218 CG2 THR A 13 -11.162 8.341 -2.101 1.00 0.00 C ATOM 0 H THR A 13 -10.721 7.335 -5.967 1.00 0.00 H new ATOM 0 HA THR A 13 -9.261 6.943 -3.475 1.00 0.00 H new ATOM 0 HB THR A 13 -11.928 8.275 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.660 10.223 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.678 9.268 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.763 7.492 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.196 8.317 -1.597 1.00 0.00 H new ATOM 226 N ILE A 14 -10.515 5.050 -2.579 1.00 0.00 N ATOM 227 CA ILE A 14 -11.183 3.908 -2.020 1.00 0.00 C ATOM 228 C ILE A 14 -11.591 4.186 -0.578 1.00 0.00 C ATOM 229 O ILE A 14 -11.151 5.173 0.022 1.00 0.00 O ATOM 230 CB ILE A 14 -10.262 2.681 -2.047 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.109 2.862 -1.078 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.708 2.467 -3.431 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.551 1.560 -0.551 1.00 0.00 C ATOM 0 H ILE A 14 -9.589 5.225 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.071 3.710 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.852 1.813 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.312 3.415 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.444 3.471 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.057 1.593 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.528 2.309 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.137 3.345 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.730 1.767 0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.335 1.015 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.185 0.958 -1.383 1.00 0.00 H new ATOM 245 N GLU A 15 -12.416 3.314 -0.029 1.00 0.00 N ATOM 246 CA GLU A 15 -12.803 3.397 1.367 1.00 0.00 C ATOM 247 C GLU A 15 -12.374 2.131 2.080 1.00 0.00 C ATOM 248 O GLU A 15 -13.049 1.106 2.009 1.00 0.00 O ATOM 249 CB GLU A 15 -14.313 3.590 1.495 1.00 0.00 C ATOM 250 CG GLU A 15 -14.793 4.944 1.010 1.00 0.00 C ATOM 251 CD GLU A 15 -16.299 5.052 1.003 1.00 0.00 C ATOM 252 OE1 GLU A 15 -16.918 4.673 -0.014 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.872 5.511 2.013 1.00 0.00 O ATOM 0 H GLU A 15 -12.834 2.533 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.312 4.256 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.820 2.809 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.600 3.464 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.378 5.724 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.414 5.122 0.004 1.00 0.00 H new ATOM 260 N CYS A 16 -11.252 2.207 2.771 1.00 0.00 N ATOM 261 CA CYS A 16 -10.703 1.052 3.440 1.00 0.00 C ATOM 262 C CYS A 16 -11.012 1.110 4.923 1.00 0.00 C ATOM 263 O CYS A 16 -10.633 2.062 5.611 1.00 0.00 O ATOM 264 CB CYS A 16 -9.201 0.975 3.224 1.00 0.00 C ATOM 265 SG CYS A 16 -8.588 -0.710 3.118 1.00 0.00 S ATOM 0 H CYS A 16 -10.705 3.061 2.881 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.162 0.158 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.944 1.507 2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.696 1.488 4.042 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.530 -1.226 4.310 1.00 0.00 H new ATOM 271 N PRO A 17 -11.746 0.109 5.418 1.00 0.00 N ATOM 272 CA PRO A 17 -12.098 0.003 6.830 1.00 0.00 C ATOM 273 C PRO A 17 -10.882 -0.063 7.734 1.00 0.00 C ATOM 274 O PRO A 17 -9.812 -0.527 7.336 1.00 0.00 O ATOM 275 CB PRO A 17 -12.872 -1.311 6.916 1.00 0.00 C ATOM 276 CG PRO A 17 -13.368 -1.553 5.538 1.00 0.00 C ATOM 277 CD PRO A 17 -12.322 -0.989 4.625 1.00 0.00 C ATOM 0 HA PRO A 17 -12.661 0.876 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.231 -2.125 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.696 -1.238 7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.514 -2.618 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.331 -1.067 5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.571 -1.734 4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.753 -0.629 3.691 1.00 0.00 H new ATOM 285 N ALA A 18 -11.084 0.364 8.968 1.00 0.00 N ATOM 286 CA ALA A 18 -10.032 0.386 9.978 1.00 0.00 C ATOM 287 C ALA A 18 -9.662 -1.022 10.443 1.00 0.00 C ATOM 288 O ALA A 18 -8.928 -1.191 11.415 1.00 0.00 O ATOM 289 CB ALA A 18 -10.474 1.233 11.162 1.00 0.00 C ATOM 0 H ALA A 18 -11.984 0.707 9.302 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.142 0.825 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.685 1.247 11.914 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.674 2.251 10.827 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.380 0.809 11.594 1.00 0.00 H new ATOM 295 N ASP A 19 -10.212 -2.022 9.769 1.00 0.00 N ATOM 296 CA ASP A 19 -9.954 -3.422 10.093 1.00 0.00 C ATOM 297 C ASP A 19 -9.665 -4.248 8.840 1.00 0.00 C ATOM 298 O ASP A 19 -9.351 -5.434 8.930 1.00 0.00 O ATOM 299 CB ASP A 19 -11.154 -4.023 10.818 1.00 0.00 C ATOM 300 CG ASP A 19 -12.433 -3.871 10.017 1.00 0.00 C ATOM 301 OD1 ASP A 19 -12.611 -4.604 9.022 1.00 0.00 O ATOM 302 OD2 ASP A 19 -13.262 -3.007 10.371 1.00 0.00 O ATOM 0 H ASP A 19 -10.849 -1.889 8.983 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.075 -3.450 10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.970 -5.080 11.011 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.273 -3.538 11.787 1.00 0.00 H new ATOM 307 N THR A 20 -9.776 -3.627 7.675 1.00 0.00 N ATOM 308 CA THR A 20 -9.688 -4.343 6.415 1.00 0.00 C ATOM 309 C THR A 20 -8.584 -3.756 5.545 1.00 0.00 C ATOM 310 O THR A 20 -8.560 -2.554 5.307 1.00 0.00 O ATOM 311 CB THR A 20 -11.038 -4.273 5.671 1.00 0.00 C ATOM 312 OG1 THR A 20 -12.039 -5.023 6.381 1.00 0.00 O ATOM 313 CG2 THR A 20 -10.910 -4.781 4.243 1.00 0.00 C ATOM 0 H THR A 20 -9.928 -2.623 7.578 1.00 0.00 H new ATOM 0 HA THR A 20 -9.450 -5.386 6.624 1.00 0.00 H new ATOM 0 HB THR A 20 -11.343 -3.228 5.628 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.091 -4.704 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.878 -4.718 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.185 -4.171 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.574 -5.818 4.254 1.00 0.00 H new ATOM 321 N TYR A 21 -7.689 -4.614 5.062 1.00 0.00 N ATOM 322 CA TYR A 21 -6.503 -4.173 4.329 1.00 0.00 C ATOM 323 C TYR A 21 -6.847 -3.539 2.982 1.00 0.00 C ATOM 324 O TYR A 21 -7.811 -3.933 2.318 1.00 0.00 O ATOM 325 CB TYR A 21 -5.521 -5.331 4.141 1.00 0.00 C ATOM 326 CG TYR A 21 -6.170 -6.688 3.982 1.00 0.00 C ATOM 327 CD1 TYR A 21 -6.889 -7.015 2.842 1.00 0.00 C ATOM 328 CD2 TYR A 21 -6.050 -7.648 4.979 1.00 0.00 C ATOM 329 CE1 TYR A 21 -7.471 -8.259 2.701 1.00 0.00 C ATOM 330 CE2 TYR A 21 -6.626 -8.893 4.842 1.00 0.00 C ATOM 331 CZ TYR A 21 -7.335 -9.196 3.702 1.00 0.00 C ATOM 332 OH TYR A 21 -7.912 -10.437 3.565 1.00 0.00 O ATOM 0 H TYR A 21 -7.763 -5.626 5.166 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.029 -3.400 4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.908 -5.131 3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.849 -5.363 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.995 -6.286 2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.496 -7.415 5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.031 -8.497 1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.521 -9.628 5.626 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.719 -10.977 4.360 1.00 0.00 H new ATOM 342 N ILE A 22 -6.010 -2.570 2.599 1.00 0.00 N ATOM 343 CA ILE A 22 -6.249 -1.668 1.463 1.00 0.00 C ATOM 344 C ILE A 22 -6.717 -2.391 0.205 1.00 0.00 C ATOM 345 O ILE A 22 -7.644 -1.927 -0.443 1.00 0.00 O ATOM 346 CB ILE A 22 -4.973 -0.853 1.139 1.00 0.00 C ATOM 347 CG1 ILE A 22 -4.596 -0.009 2.359 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.214 0.044 -0.069 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.148 0.451 2.430 1.00 0.00 C ATOM 0 H ILE A 22 -5.129 -2.385 3.078 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.055 -1.003 1.773 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.156 -1.534 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.238 0.872 2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.818 -0.585 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.309 0.612 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.474 -0.570 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.031 0.732 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.997 1.040 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.491 -0.418 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.917 1.062 1.557 1.00 0.00 H new ATOM 361 N LEU A 23 -6.108 -3.534 -0.119 1.00 0.00 N ATOM 362 CA LEU A 23 -6.343 -4.180 -1.416 1.00 0.00 C ATOM 363 C LEU A 23 -7.813 -4.547 -1.639 1.00 0.00 C ATOM 364 O LEU A 23 -8.254 -4.637 -2.780 1.00 0.00 O ATOM 365 CB LEU A 23 -5.440 -5.411 -1.623 1.00 0.00 C ATOM 366 CG LEU A 23 -5.502 -6.510 -0.551 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.776 -7.334 -0.663 1.00 0.00 C ATOM 368 CD2 LEU A 23 -4.295 -7.416 -0.671 1.00 0.00 C ATOM 0 H LEU A 23 -5.455 -4.028 0.490 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.077 -3.436 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.694 -5.860 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.409 -5.066 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.502 -6.023 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.783 -8.101 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.642 -6.684 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.817 -7.809 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.346 -8.193 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.283 -7.878 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.386 -6.831 -0.533 1.00 0.00 H new ATOM 380 N ASP A 24 -8.564 -4.739 -0.558 1.00 0.00 N ATOM 381 CA ASP A 24 -9.978 -5.111 -0.668 1.00 0.00 C ATOM 382 C ASP A 24 -10.770 -3.964 -1.271 1.00 0.00 C ATOM 383 O ASP A 24 -11.484 -4.124 -2.261 1.00 0.00 O ATOM 384 CB ASP A 24 -10.539 -5.451 0.713 1.00 0.00 C ATOM 385 CG ASP A 24 -11.995 -5.879 0.679 1.00 0.00 C ATOM 386 OD1 ASP A 24 -12.258 -7.094 0.544 1.00 0.00 O ATOM 387 OD2 ASP A 24 -12.883 -5.009 0.815 1.00 0.00 O ATOM 0 H ASP A 24 -8.224 -4.645 0.399 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.062 -5.985 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.943 -6.250 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.438 -4.582 1.363 1.00 0.00 H new ATOM 392 N ALA A 25 -10.600 -2.804 -0.674 1.00 0.00 N ATOM 393 CA ALA A 25 -11.220 -1.584 -1.152 1.00 0.00 C ATOM 394 C ALA A 25 -10.538 -1.119 -2.427 1.00 0.00 C ATOM 395 O ALA A 25 -11.154 -0.502 -3.294 1.00 0.00 O ATOM 396 CB ALA A 25 -11.141 -0.529 -0.069 1.00 0.00 C ATOM 0 H ALA A 25 -10.026 -2.679 0.160 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.269 -1.766 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.606 0.391 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.664 -0.881 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.096 -0.337 0.176 1.00 0.00 H new ATOM 402 N ALA A 26 -9.259 -1.440 -2.527 1.00 0.00 N ATOM 403 CA ALA A 26 -8.454 -1.098 -3.681 1.00 0.00 C ATOM 404 C ALA A 26 -9.048 -1.690 -4.954 1.00 0.00 C ATOM 405 O ALA A 26 -9.322 -0.976 -5.916 1.00 0.00 O ATOM 406 CB ALA A 26 -7.036 -1.594 -3.488 1.00 0.00 C ATOM 0 H ALA A 26 -8.750 -1.948 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.443 -0.013 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.437 -1.333 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.606 -1.130 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.043 -2.677 -3.364 1.00 0.00 H new ATOM 412 N GLU A 27 -9.269 -3.001 -4.951 1.00 0.00 N ATOM 413 CA GLU A 27 -9.810 -3.670 -6.115 1.00 0.00 C ATOM 414 C GLU A 27 -11.273 -3.298 -6.320 1.00 0.00 C ATOM 415 O GLU A 27 -11.758 -3.256 -7.451 1.00 0.00 O ATOM 416 CB GLU A 27 -9.641 -5.181 -6.008 1.00 0.00 C ATOM 417 CG GLU A 27 -10.190 -5.800 -4.734 1.00 0.00 C ATOM 418 CD GLU A 27 -10.866 -7.125 -5.002 1.00 0.00 C ATOM 419 OE1 GLU A 27 -10.194 -8.052 -5.503 1.00 0.00 O ATOM 420 OE2 GLU A 27 -12.075 -7.246 -4.725 1.00 0.00 O ATOM 0 H GLU A 27 -9.081 -3.613 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.249 -3.334 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.132 -5.648 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.580 -5.419 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.379 -5.943 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.902 -5.115 -4.274 1.00 0.00 H new ATOM 427 N GLU A 28 -11.964 -3.030 -5.219 1.00 0.00 N ATOM 428 CA GLU A 28 -13.347 -2.567 -5.259 1.00 0.00 C ATOM 429 C GLU A 28 -13.439 -1.296 -6.084 1.00 0.00 C ATOM 430 O GLU A 28 -14.362 -1.099 -6.878 1.00 0.00 O ATOM 431 CB GLU A 28 -13.824 -2.267 -3.846 1.00 0.00 C ATOM 432 CG GLU A 28 -15.310 -2.498 -3.638 1.00 0.00 C ATOM 433 CD GLU A 28 -15.710 -3.934 -3.895 1.00 0.00 C ATOM 434 OE1 GLU A 28 -15.517 -4.778 -2.996 1.00 0.00 O ATOM 435 OE2 GLU A 28 -16.217 -4.227 -4.998 1.00 0.00 O ATOM 0 H GLU A 28 -11.585 -3.127 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.968 -3.343 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.268 -2.889 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.590 -1.230 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.578 -2.226 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.874 -1.842 -4.301 1.00 0.00 H new ATOM 442 N ALA A 29 -12.464 -0.439 -5.860 1.00 0.00 N ATOM 443 CA ALA A 29 -12.353 0.832 -6.567 1.00 0.00 C ATOM 444 C ALA A 29 -12.092 0.644 -8.056 1.00 0.00 C ATOM 445 O ALA A 29 -12.444 1.500 -8.870 1.00 0.00 O ATOM 446 CB ALA A 29 -11.250 1.642 -5.950 1.00 0.00 C ATOM 0 H ALA A 29 -11.720 -0.600 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.305 1.354 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.161 2.594 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.477 1.825 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.310 1.096 -6.028 1.00 0.00 H new ATOM 452 N GLY A 30 -11.469 -0.472 -8.410 1.00 0.00 N ATOM 453 CA GLY A 30 -11.254 -0.776 -9.808 1.00 0.00 C ATOM 454 C GLY A 30 -9.807 -0.660 -10.222 1.00 0.00 C ATOM 455 O GLY A 30 -9.515 -0.420 -11.393 1.00 0.00 O ATOM 0 H GLY A 30 -11.111 -1.168 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.604 -1.788 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.856 -0.101 -10.417 1.00 0.00 H new ATOM 459 N LEU A 31 -8.899 -0.818 -9.272 1.00 0.00 N ATOM 460 CA LEU A 31 -7.476 -0.700 -9.561 1.00 0.00 C ATOM 461 C LEU A 31 -6.937 -1.963 -10.204 1.00 0.00 C ATOM 462 O LEU A 31 -7.503 -3.048 -10.054 1.00 0.00 O ATOM 463 CB LEU A 31 -6.692 -0.449 -8.286 1.00 0.00 C ATOM 464 CG LEU A 31 -7.303 0.554 -7.323 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.328 0.844 -6.214 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.709 1.832 -8.030 1.00 0.00 C ATOM 0 H LEU A 31 -9.119 -1.027 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.359 0.138 -10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.570 -1.398 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.694 -0.103 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.209 0.119 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.767 1.564 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.099 -0.078 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.411 1.257 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.142 2.525 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.832 2.288 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.445 1.603 -8.801 1.00 0.00 H new ATOM 478 N ASP A 32 -5.824 -1.814 -10.900 1.00 0.00 N ATOM 479 CA ASP A 32 -5.103 -2.924 -11.466 1.00 0.00 C ATOM 480 C ASP A 32 -4.084 -3.458 -10.467 1.00 0.00 C ATOM 481 O ASP A 32 -2.980 -3.861 -10.831 1.00 0.00 O ATOM 482 CB ASP A 32 -4.412 -2.456 -12.741 1.00 0.00 C ATOM 483 CG ASP A 32 -3.563 -1.210 -12.536 1.00 0.00 C ATOM 484 OD1 ASP A 32 -4.130 -0.095 -12.517 1.00 0.00 O ATOM 485 OD2 ASP A 32 -2.330 -1.336 -12.404 1.00 0.00 O ATOM 0 H ASP A 32 -5.397 -0.907 -11.086 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.794 -3.733 -11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.782 -3.260 -13.122 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.165 -2.254 -13.502 1.00 0.00 H new ATOM 490 N LEU A 33 -4.471 -3.458 -9.201 1.00 0.00 N ATOM 491 CA LEU A 33 -3.586 -3.865 -8.122 1.00 0.00 C ATOM 492 C LEU A 33 -3.489 -5.387 -8.034 1.00 0.00 C ATOM 493 O LEU A 33 -4.498 -6.083 -7.889 1.00 0.00 O ATOM 494 CB LEU A 33 -4.087 -3.289 -6.798 1.00 0.00 C ATOM 495 CG LEU A 33 -3.010 -3.002 -5.747 1.00 0.00 C ATOM 496 CD1 LEU A 33 -3.610 -2.180 -4.625 1.00 0.00 C ATOM 497 CD2 LEU A 33 -2.404 -4.287 -5.190 1.00 0.00 C ATOM 0 H LEU A 33 -5.402 -3.177 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.589 -3.477 -8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.622 -2.362 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.809 -3.985 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.206 -2.445 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.846 -1.974 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.988 -1.239 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.429 -2.734 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.645 -4.039 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.186 -4.886 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.948 -4.855 -6.001 1.00 0.00 H new ATOM 509 N PRO A 34 -2.263 -5.908 -8.132 1.00 0.00 N ATOM 510 CA PRO A 34 -1.980 -7.343 -8.008 1.00 0.00 C ATOM 511 C PRO A 34 -1.921 -7.814 -6.556 1.00 0.00 C ATOM 512 O PRO A 34 -1.279 -7.184 -5.716 1.00 0.00 O ATOM 513 CB PRO A 34 -0.592 -7.446 -8.626 1.00 0.00 C ATOM 514 CG PRO A 34 0.043 -6.159 -8.234 1.00 0.00 C ATOM 515 CD PRO A 34 -1.034 -5.137 -8.397 1.00 0.00 C ATOM 0 HA PRO A 34 -2.751 -7.955 -8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.040 -8.303 -8.239 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.639 -7.560 -9.709 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.404 -6.193 -7.206 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.902 -5.933 -8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.916 -4.311 -7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.035 -4.707 -9.399 1.00 0.00 H new ATOM 523 N TYR A 35 -2.587 -8.917 -6.265 1.00 0.00 N ATOM 524 CA TYR A 35 -2.439 -9.577 -4.979 1.00 0.00 C ATOM 525 C TYR A 35 -2.930 -11.009 -5.089 1.00 0.00 C ATOM 526 O TYR A 35 -3.773 -11.319 -5.931 1.00 0.00 O ATOM 527 CB TYR A 35 -3.179 -8.823 -3.859 1.00 0.00 C ATOM 528 CG TYR A 35 -4.686 -8.970 -3.860 1.00 0.00 C ATOM 529 CD1 TYR A 35 -5.295 -10.026 -3.193 1.00 0.00 C ATOM 530 CD2 TYR A 35 -5.500 -8.043 -4.500 1.00 0.00 C ATOM 531 CE1 TYR A 35 -6.667 -10.159 -3.167 1.00 0.00 C ATOM 532 CE2 TYR A 35 -6.876 -8.165 -4.473 1.00 0.00 C ATOM 533 CZ TYR A 35 -7.454 -9.226 -3.805 1.00 0.00 C ATOM 534 OH TYR A 35 -8.823 -9.354 -3.772 1.00 0.00 O ATOM 0 H TYR A 35 -3.237 -9.376 -6.903 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.383 -9.578 -4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.798 -9.170 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.935 -7.763 -3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.682 -10.756 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.050 -7.214 -5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.122 -10.990 -2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.496 -7.435 -4.972 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.192 -9.148 -4.656 1.00 0.00 H new ATOM 544 N SER A 36 -2.393 -11.881 -4.256 1.00 0.00 N ATOM 545 CA SER A 36 -2.720 -13.292 -4.328 1.00 0.00 C ATOM 546 C SER A 36 -3.001 -13.873 -2.946 1.00 0.00 C ATOM 547 O SER A 36 -4.102 -14.347 -2.677 1.00 0.00 O ATOM 548 CB SER A 36 -1.574 -14.044 -5.005 1.00 0.00 C ATOM 549 OG SER A 36 -0.320 -13.619 -4.494 1.00 0.00 O ATOM 0 H SER A 36 -1.728 -11.637 -3.522 1.00 0.00 H new ATOM 0 HA SER A 36 -3.629 -13.407 -4.918 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.692 -15.116 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.609 -13.876 -6.081 1.00 0.00 H new ATOM 0 HG SER A 36 0.399 -14.114 -4.939 1.00 0.00 H new ATOM 555 N CYS A 37 -2.010 -13.819 -2.069 1.00 0.00 N ATOM 556 CA CYS A 37 -2.129 -14.431 -0.757 1.00 0.00 C ATOM 557 C CYS A 37 -3.048 -13.625 0.151 1.00 0.00 C ATOM 558 O CYS A 37 -3.746 -14.193 0.989 1.00 0.00 O ATOM 559 CB CYS A 37 -0.751 -14.551 -0.105 1.00 0.00 C ATOM 560 SG CYS A 37 0.024 -12.957 0.265 1.00 0.00 S ATOM 0 H CYS A 37 -1.117 -13.358 -2.243 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.561 -15.423 -0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.845 -15.122 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.095 -15.119 -0.765 1.00 0.00 H new ATOM 0 HG CYS A 37 1.037 -12.773 -0.528 1.00 0.00 H new ATOM 565 N ARG A 38 -3.029 -12.297 -0.036 1.00 0.00 N ATOM 566 CA ARG A 38 -3.702 -11.335 0.847 1.00 0.00 C ATOM 567 C ARG A 38 -3.368 -11.632 2.308 1.00 0.00 C ATOM 568 O ARG A 38 -4.165 -11.392 3.216 1.00 0.00 O ATOM 569 CB ARG A 38 -5.228 -11.267 0.593 1.00 0.00 C ATOM 570 CG ARG A 38 -6.027 -12.495 1.013 1.00 0.00 C ATOM 571 CD ARG A 38 -7.447 -12.452 0.465 1.00 0.00 C ATOM 572 NE ARG A 38 -8.215 -11.317 0.980 1.00 0.00 N ATOM 573 CZ ARG A 38 -9.136 -10.656 0.273 1.00 0.00 C ATOM 574 NH1 ARG A 38 -9.378 -10.989 -0.989 1.00 0.00 N ATOM 575 NH2 ARG A 38 -9.820 -9.661 0.830 1.00 0.00 N ATOM 0 H ARG A 38 -2.539 -11.856 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.321 -10.341 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.626 -10.400 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.393 -11.096 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.526 -13.395 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.058 -12.556 2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.411 -12.398 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.960 -13.379 0.721 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.036 -11.012 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.860 -11.753 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.082 -10.481 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.642 -9.400 1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.522 -9.158 0.287 1.00 0.00 H new ATOM 589 N ALA A 39 -2.156 -12.148 2.514 1.00 0.00 N ATOM 590 CA ALA A 39 -1.681 -12.512 3.839 1.00 0.00 C ATOM 591 C ALA A 39 -0.206 -12.155 4.015 1.00 0.00 C ATOM 592 O ALA A 39 0.400 -12.475 5.035 1.00 0.00 O ATOM 593 CB ALA A 39 -1.900 -13.998 4.088 1.00 0.00 C ATOM 0 H ALA A 39 -1.483 -12.323 1.768 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.254 -11.943 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.540 -14.257 5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.963 -14.226 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.354 -14.576 3.343 1.00 0.00 H new ATOM 599 N GLY A 40 0.372 -11.501 3.012 1.00 0.00 N ATOM 600 CA GLY A 40 1.733 -11.008 3.136 1.00 0.00 C ATOM 601 C GLY A 40 2.783 -12.061 2.834 1.00 0.00 C ATOM 602 O GLY A 40 3.753 -12.205 3.579 1.00 0.00 O ATOM 0 H GLY A 40 -0.076 -11.304 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.869 -10.164 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.885 -10.633 4.148 1.00 0.00 H new ATOM 606 N ALA A 41 2.588 -12.807 1.753 1.00 0.00 N ATOM 607 CA ALA A 41 3.536 -13.843 1.356 1.00 0.00 C ATOM 608 C ALA A 41 4.448 -13.365 0.227 1.00 0.00 C ATOM 609 O ALA A 41 5.198 -14.152 -0.355 1.00 0.00 O ATOM 610 CB ALA A 41 2.795 -15.103 0.937 1.00 0.00 C ATOM 0 H ALA A 41 1.782 -12.714 1.135 1.00 0.00 H new ATOM 0 HA ALA A 41 4.163 -14.069 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.514 -15.867 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.198 -15.469 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.141 -14.877 0.095 1.00 0.00 H new ATOM 616 N CYS A 42 4.374 -12.079 -0.085 1.00 0.00 N ATOM 617 CA CYS A 42 5.232 -11.478 -1.096 1.00 0.00 C ATOM 618 C CYS A 42 5.274 -9.962 -0.910 1.00 0.00 C ATOM 619 O CYS A 42 4.550 -9.416 -0.075 1.00 0.00 O ATOM 620 CB CYS A 42 4.750 -11.850 -2.507 1.00 0.00 C ATOM 621 SG CYS A 42 3.004 -11.499 -2.836 1.00 0.00 S ATOM 0 H CYS A 42 3.723 -11.427 0.352 1.00 0.00 H new ATOM 0 HA CYS A 42 6.243 -11.868 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.357 -11.312 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.928 -12.913 -2.667 1.00 0.00 H new ATOM 0 HG CYS A 42 2.828 -10.214 -2.922 1.00 0.00 H new ATOM 626 N SER A 43 6.138 -9.286 -1.659 1.00 0.00 N ATOM 627 CA SER A 43 6.300 -7.847 -1.504 1.00 0.00 C ATOM 628 C SER A 43 6.075 -7.101 -2.816 1.00 0.00 C ATOM 629 O SER A 43 6.272 -5.886 -2.883 1.00 0.00 O ATOM 630 CB SER A 43 7.690 -7.530 -0.959 1.00 0.00 C ATOM 631 OG SER A 43 7.915 -8.188 0.278 1.00 0.00 O ATOM 0 H SER A 43 6.732 -9.708 -2.373 1.00 0.00 H new ATOM 0 HA SER A 43 5.543 -7.509 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.446 -7.838 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.795 -6.453 -0.826 1.00 0.00 H new ATOM 0 HG SER A 43 8.836 -8.026 0.572 1.00 0.00 H new ATOM 637 N SER A 44 5.650 -7.819 -3.851 1.00 0.00 N ATOM 638 CA SER A 44 5.344 -7.192 -5.134 1.00 0.00 C ATOM 639 C SER A 44 4.162 -6.247 -4.962 1.00 0.00 C ATOM 640 O SER A 44 4.037 -5.230 -5.647 1.00 0.00 O ATOM 641 CB SER A 44 5.003 -8.258 -6.174 1.00 0.00 C ATOM 642 OG SER A 44 5.950 -9.316 -6.159 1.00 0.00 O ATOM 0 H SER A 44 5.510 -8.829 -3.828 1.00 0.00 H new ATOM 0 HA SER A 44 6.215 -6.633 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.007 -8.656 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.975 -7.806 -7.165 1.00 0.00 H new ATOM 0 HG SER A 44 5.705 -9.984 -6.833 1.00 0.00 H new ATOM 648 N CYS A 45 3.311 -6.606 -4.018 1.00 0.00 N ATOM 649 CA CYS A 45 2.118 -5.853 -3.700 1.00 0.00 C ATOM 650 C CYS A 45 2.355 -4.915 -2.517 1.00 0.00 C ATOM 651 O CYS A 45 1.429 -4.579 -1.778 1.00 0.00 O ATOM 652 CB CYS A 45 1.016 -6.856 -3.382 1.00 0.00 C ATOM 653 SG CYS A 45 1.666 -8.524 -3.113 1.00 0.00 S ATOM 0 H CYS A 45 3.434 -7.441 -3.445 1.00 0.00 H new ATOM 0 HA CYS A 45 1.833 -5.227 -4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.476 -6.530 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.297 -6.876 -4.201 1.00 0.00 H new ATOM 0 HG CYS A 45 0.685 -9.334 -2.845 1.00 0.00 H new ATOM 658 N ALA A 46 3.595 -4.495 -2.313 1.00 0.00 N ATOM 659 CA ALA A 46 3.871 -3.554 -1.249 1.00 0.00 C ATOM 660 C ALA A 46 3.599 -2.134 -1.724 1.00 0.00 C ATOM 661 O ALA A 46 4.338 -1.589 -2.549 1.00 0.00 O ATOM 662 CB ALA A 46 5.300 -3.699 -0.743 1.00 0.00 C ATOM 0 H ALA A 46 4.406 -4.785 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 46 3.206 -3.773 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.478 -2.979 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.450 -4.709 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.996 -3.513 -1.561 1.00 0.00 H new ATOM 668 N GLY A 47 2.564 -1.528 -1.155 1.00 0.00 N ATOM 669 CA GLY A 47 2.147 -0.206 -1.571 1.00 0.00 C ATOM 670 C GLY A 47 3.054 0.870 -1.031 1.00 0.00 C ATOM 671 O GLY A 47 3.922 0.605 -0.203 1.00 0.00 O ATOM 0 H GLY A 47 2.003 -1.934 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.134 -0.156 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.127 -0.024 -1.232 1.00 0.00 H new ATOM 675 N LYS A 48 2.905 2.078 -1.530 1.00 0.00 N ATOM 676 CA LYS A 48 3.676 3.205 -1.038 1.00 0.00 C ATOM 677 C LYS A 48 2.750 4.218 -0.401 1.00 0.00 C ATOM 678 O LYS A 48 1.803 4.680 -1.027 1.00 0.00 O ATOM 679 CB LYS A 48 4.451 3.889 -2.169 1.00 0.00 C ATOM 680 CG LYS A 48 5.690 3.171 -2.662 1.00 0.00 C ATOM 681 CD LYS A 48 5.590 1.668 -2.530 1.00 0.00 C ATOM 682 CE LYS A 48 6.570 1.147 -1.510 1.00 0.00 C ATOM 683 NZ LYS A 48 6.749 -0.325 -1.632 1.00 0.00 N ATOM 0 H LYS A 48 2.254 2.308 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 48 4.388 2.826 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.775 4.025 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.743 4.883 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.861 3.428 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.556 3.523 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.576 1.392 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.783 1.201 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.531 1.644 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.218 1.390 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.009 -0.721 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.860 -0.757 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.503 -0.527 -2.319 1.00 0.00 H new ATOM 697 N VAL A 49 3.024 4.566 0.830 1.00 0.00 N ATOM 698 CA VAL A 49 2.273 5.618 1.483 1.00 0.00 C ATOM 699 C VAL A 49 2.718 6.962 0.910 1.00 0.00 C ATOM 700 O VAL A 49 3.759 7.509 1.278 1.00 0.00 O ATOM 701 CB VAL A 49 2.406 5.568 3.044 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.348 6.956 3.668 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.288 4.732 3.633 1.00 0.00 C ATOM 0 H VAL A 49 3.756 4.142 1.401 1.00 0.00 H new ATOM 0 HA VAL A 49 1.212 5.474 1.282 1.00 0.00 H new ATOM 0 HB VAL A 49 3.377 5.126 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.444 6.873 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.163 7.565 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.395 7.425 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.388 4.703 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.327 5.173 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.344 3.718 3.236 1.00 0.00 H new ATOM 713 N ALA A 50 1.961 7.449 -0.064 1.00 0.00 N ATOM 714 CA ALA A 50 2.206 8.752 -0.634 1.00 0.00 C ATOM 715 C ALA A 50 1.763 9.816 0.356 1.00 0.00 C ATOM 716 O ALA A 50 2.387 10.865 0.501 1.00 0.00 O ATOM 717 CB ALA A 50 1.431 8.873 -1.928 1.00 0.00 C ATOM 0 H ALA A 50 1.169 6.952 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 50 3.267 8.886 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.609 9.854 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.759 8.099 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.366 8.753 -1.727 1.00 0.00 H new ATOM 723 N ALA A 51 0.687 9.501 1.056 1.00 0.00 N ATOM 724 CA ALA A 51 0.088 10.401 2.016 1.00 0.00 C ATOM 725 C ALA A 51 -0.516 9.610 3.157 1.00 0.00 C ATOM 726 O ALA A 51 -0.668 8.394 3.049 1.00 0.00 O ATOM 727 CB ALA A 51 -0.996 11.203 1.336 1.00 0.00 C ATOM 0 H ALA A 51 0.204 8.607 0.971 1.00 0.00 H new ATOM 0 HA ALA A 51 0.854 11.070 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.451 11.883 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.564 11.777 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.757 10.528 0.944 1.00 0.00 H new ATOM 733 N GLY A 52 -0.869 10.301 4.233 1.00 0.00 N ATOM 734 CA GLY A 52 -1.598 9.676 5.319 1.00 0.00 C ATOM 735 C GLY A 52 -0.827 8.560 5.993 1.00 0.00 C ATOM 736 O GLY A 52 0.405 8.541 5.965 1.00 0.00 O ATOM 0 H GLY A 52 -0.662 11.290 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.851 10.433 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.538 9.279 4.936 1.00 0.00 H new ATOM 740 N THR A 53 -1.550 7.628 6.608 1.00 0.00 N ATOM 741 CA THR A 53 -0.926 6.500 7.283 1.00 0.00 C ATOM 742 C THR A 53 -1.729 5.221 7.089 1.00 0.00 C ATOM 743 O THR A 53 -2.883 5.253 6.655 1.00 0.00 O ATOM 744 CB THR A 53 -0.775 6.744 8.794 1.00 0.00 C ATOM 745 OG1 THR A 53 -2.057 7.015 9.378 1.00 0.00 O ATOM 746 CG2 THR A 53 0.169 7.901 9.073 1.00 0.00 C ATOM 0 H THR A 53 -2.569 7.634 6.651 1.00 0.00 H new ATOM 0 HA THR A 53 0.061 6.392 6.833 1.00 0.00 H new ATOM 0 HB THR A 53 -0.354 5.843 9.240 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.398 6.204 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.255 8.049 10.149 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.152 7.677 8.658 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.221 8.808 8.612 1.00 0.00 H new ATOM 754 N VAL A 54 -1.109 4.103 7.441 1.00 0.00 N ATOM 755 CA VAL A 54 -1.713 2.783 7.329 1.00 0.00 C ATOM 756 C VAL A 54 -1.242 1.911 8.499 1.00 0.00 C ATOM 757 O VAL A 54 -0.314 2.288 9.210 1.00 0.00 O ATOM 758 CB VAL A 54 -1.311 2.091 6.017 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.751 2.894 4.797 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.187 1.855 6.004 1.00 0.00 C ATOM 0 H VAL A 54 -0.161 4.087 7.817 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.796 2.907 7.344 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.823 1.130 5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.448 2.372 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.835 3.006 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.284 3.879 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.470 1.364 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.706 2.810 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.463 1.221 6.847 1.00 0.00 H new ATOM 770 N ASP A 55 -1.877 0.764 8.697 1.00 0.00 N ATOM 771 CA ASP A 55 -1.434 -0.200 9.703 1.00 0.00 C ATOM 772 C ASP A 55 -0.835 -1.424 9.033 1.00 0.00 C ATOM 773 O ASP A 55 -1.558 -2.333 8.633 1.00 0.00 O ATOM 774 CB ASP A 55 -2.596 -0.636 10.603 1.00 0.00 C ATOM 775 CG ASP A 55 -2.180 -1.687 11.620 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.757 -1.308 12.730 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.273 -2.898 11.318 1.00 0.00 O ATOM 0 H ASP A 55 -2.704 0.475 8.174 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.678 0.289 10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.993 0.234 11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.402 -1.032 9.985 1.00 0.00 H new ATOM 782 N GLN A 56 0.479 -1.443 8.916 1.00 0.00 N ATOM 783 CA GLN A 56 1.182 -2.558 8.294 1.00 0.00 C ATOM 784 C GLN A 56 1.885 -3.387 9.352 1.00 0.00 C ATOM 785 O GLN A 56 3.097 -3.590 9.305 1.00 0.00 O ATOM 786 CB GLN A 56 2.174 -2.057 7.242 1.00 0.00 C ATOM 787 CG GLN A 56 2.762 -0.699 7.567 1.00 0.00 C ATOM 788 CD GLN A 56 4.011 -0.387 6.780 1.00 0.00 C ATOM 789 OE1 GLN A 56 4.802 -1.259 6.455 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.194 0.869 6.467 1.00 0.00 N ATOM 0 H GLN A 56 1.089 -0.694 9.245 1.00 0.00 H new ATOM 0 HA GLN A 56 0.453 -3.191 7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.983 -2.781 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.672 -2.005 6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.015 0.070 7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.991 -0.655 8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.512 1.571 6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.018 1.147 5.935 1.00 0.00 H new ATOM 799 N SER A 57 1.099 -3.839 10.321 1.00 0.00 N ATOM 800 CA SER A 57 1.593 -4.669 11.411 1.00 0.00 C ATOM 801 C SER A 57 2.391 -5.870 10.891 1.00 0.00 C ATOM 802 O SER A 57 3.470 -6.173 11.403 1.00 0.00 O ATOM 803 CB SER A 57 0.420 -5.142 12.270 1.00 0.00 C ATOM 804 OG SER A 57 -0.297 -4.039 12.809 1.00 0.00 O ATOM 0 H SER A 57 0.100 -3.640 10.373 1.00 0.00 H new ATOM 0 HA SER A 57 2.269 -4.066 12.017 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.250 -5.757 11.669 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.789 -5.771 13.080 1.00 0.00 H new ATOM 0 HG SER A 57 -1.040 -3.809 12.213 1.00 0.00 H new ATOM 810 N ASP A 58 1.874 -6.541 9.868 1.00 0.00 N ATOM 811 CA ASP A 58 2.576 -7.675 9.281 1.00 0.00 C ATOM 812 C ASP A 58 3.261 -7.252 7.989 1.00 0.00 C ATOM 813 O ASP A 58 2.717 -7.400 6.894 1.00 0.00 O ATOM 814 CB ASP A 58 1.625 -8.842 9.018 1.00 0.00 C ATOM 815 CG ASP A 58 2.357 -10.086 8.552 1.00 0.00 C ATOM 816 OD1 ASP A 58 3.138 -10.652 9.344 1.00 0.00 O ATOM 817 OD2 ASP A 58 2.166 -10.503 7.390 1.00 0.00 O ATOM 0 H ASP A 58 0.979 -6.322 9.431 1.00 0.00 H new ATOM 0 HA ASP A 58 3.330 -8.012 9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.071 -9.069 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.894 -8.549 8.264 1.00 0.00 H new ATOM 822 N GLN A 59 4.447 -6.694 8.136 1.00 0.00 N ATOM 823 CA GLN A 59 5.229 -6.230 7.004 1.00 0.00 C ATOM 824 C GLN A 59 6.367 -7.207 6.705 1.00 0.00 C ATOM 825 O GLN A 59 6.823 -7.926 7.595 1.00 0.00 O ATOM 826 CB GLN A 59 5.790 -4.848 7.325 1.00 0.00 C ATOM 827 CG GLN A 59 6.290 -4.083 6.117 1.00 0.00 C ATOM 828 CD GLN A 59 5.192 -3.764 5.123 1.00 0.00 C ATOM 829 OE1 GLN A 59 4.021 -3.694 5.478 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.569 -3.530 3.873 1.00 0.00 N ATOM 0 H GLN A 59 4.896 -6.549 9.041 1.00 0.00 H new ATOM 0 HA GLN A 59 4.592 -6.172 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.016 -4.260 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.609 -4.957 8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.754 -3.154 6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.065 -4.666 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.554 -3.598 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.874 -3.282 3.169 1.00 0.00 H new ATOM 839 N SER A 60 6.818 -7.225 5.455 1.00 0.00 N ATOM 840 CA SER A 60 7.886 -8.122 5.028 1.00 0.00 C ATOM 841 C SER A 60 9.269 -7.511 5.307 1.00 0.00 C ATOM 842 O SER A 60 9.521 -7.031 6.412 1.00 0.00 O ATOM 843 CB SER A 60 7.709 -8.438 3.542 1.00 0.00 C ATOM 844 OG SER A 60 7.548 -7.248 2.785 1.00 0.00 O ATOM 0 H SER A 60 6.457 -6.623 4.715 1.00 0.00 H new ATOM 0 HA SER A 60 7.827 -9.048 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.575 -8.990 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.840 -9.081 3.404 1.00 0.00 H new ATOM 0 HG SER A 60 7.533 -7.467 1.830 1.00 0.00 H new ATOM 850 N PHE A 61 10.160 -7.507 4.309 1.00 0.00 N ATOM 851 CA PHE A 61 11.518 -6.988 4.497 1.00 0.00 C ATOM 852 C PHE A 61 11.533 -5.460 4.511 1.00 0.00 C ATOM 853 O PHE A 61 12.590 -4.834 4.576 1.00 0.00 O ATOM 854 CB PHE A 61 12.488 -7.535 3.431 1.00 0.00 C ATOM 855 CG PHE A 61 12.163 -7.172 2.000 1.00 0.00 C ATOM 856 CD1 PHE A 61 11.239 -7.908 1.280 1.00 0.00 C ATOM 857 CD2 PHE A 61 12.807 -6.115 1.368 1.00 0.00 C ATOM 858 CE1 PHE A 61 10.959 -7.599 -0.038 1.00 0.00 C ATOM 859 CE2 PHE A 61 12.525 -5.799 0.046 1.00 0.00 C ATOM 860 CZ PHE A 61 11.601 -6.545 -0.654 1.00 0.00 C ATOM 0 H PHE A 61 9.967 -7.855 3.370 1.00 0.00 H new ATOM 0 HA PHE A 61 11.863 -7.337 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 61 13.491 -7.174 3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.514 -8.622 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.730 -8.734 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 61 13.536 -5.532 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.236 -8.184 -0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.028 -4.972 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.380 -6.304 -1.683 1.00 0.00 H new ATOM 870 N LEU A 62 10.352 -4.869 4.456 1.00 0.00 N ATOM 871 CA LEU A 62 10.201 -3.428 4.570 1.00 0.00 C ATOM 872 C LEU A 62 10.309 -3.019 6.039 1.00 0.00 C ATOM 873 O LEU A 62 9.691 -3.640 6.905 1.00 0.00 O ATOM 874 CB LEU A 62 8.850 -3.020 4.003 1.00 0.00 C ATOM 875 CG LEU A 62 8.613 -1.519 3.874 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.913 -1.215 2.567 1.00 0.00 C ATOM 877 CD2 LEU A 62 7.783 -1.005 5.039 1.00 0.00 C ATOM 0 H LEU A 62 9.473 -5.372 4.332 1.00 0.00 H new ATOM 0 HA LEU A 62 10.988 -2.925 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.738 -3.473 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.069 -3.439 4.637 1.00 0.00 H new ATOM 0 HG LEU A 62 9.579 -1.015 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.748 -0.141 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.532 -1.552 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.954 -1.733 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.625 0.068 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.819 -1.514 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.308 -1.200 5.974 1.00 0.00 H new ATOM 889 N ASP A 63 11.093 -1.989 6.317 1.00 0.00 N ATOM 890 CA ASP A 63 11.317 -1.550 7.691 1.00 0.00 C ATOM 891 C ASP A 63 10.330 -0.454 8.078 1.00 0.00 C ATOM 892 O ASP A 63 9.669 0.115 7.216 1.00 0.00 O ATOM 893 CB ASP A 63 12.742 -1.030 7.873 1.00 0.00 C ATOM 894 CG ASP A 63 13.798 -2.011 7.405 1.00 0.00 C ATOM 895 OD1 ASP A 63 14.029 -3.023 8.097 1.00 0.00 O ATOM 896 OD2 ASP A 63 14.409 -1.769 6.341 1.00 0.00 O ATOM 0 H ASP A 63 11.586 -1.440 5.612 1.00 0.00 H new ATOM 0 HA ASP A 63 11.167 -2.414 8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.854 -0.095 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.907 -0.802 8.926 1.00 0.00 H new ATOM 901 N ASP A 64 10.233 -0.151 9.365 1.00 0.00 N ATOM 902 CA ASP A 64 9.378 0.943 9.830 1.00 0.00 C ATOM 903 C ASP A 64 9.850 2.268 9.244 1.00 0.00 C ATOM 904 O ASP A 64 9.043 3.120 8.867 1.00 0.00 O ATOM 905 CB ASP A 64 9.380 1.019 11.357 1.00 0.00 C ATOM 906 CG ASP A 64 8.588 2.202 11.879 1.00 0.00 C ATOM 907 OD1 ASP A 64 7.344 2.182 11.790 1.00 0.00 O ATOM 908 OD2 ASP A 64 9.207 3.163 12.384 1.00 0.00 O ATOM 0 H ASP A 64 10.732 -0.643 10.107 1.00 0.00 H new ATOM 0 HA ASP A 64 8.360 0.747 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.963 0.098 11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.408 1.088 11.713 1.00 0.00 H new ATOM 913 N ALA A 65 11.169 2.415 9.142 1.00 0.00 N ATOM 914 CA ALA A 65 11.774 3.607 8.557 1.00 0.00 C ATOM 915 C ALA A 65 11.270 3.822 7.136 1.00 0.00 C ATOM 916 O ALA A 65 11.142 4.953 6.672 1.00 0.00 O ATOM 917 CB ALA A 65 13.289 3.485 8.567 1.00 0.00 C ATOM 0 H ALA A 65 11.842 1.718 9.460 1.00 0.00 H new ATOM 0 HA ALA A 65 11.487 4.470 9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.729 4.380 8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.638 3.375 9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.588 2.612 7.987 1.00 0.00 H new ATOM 923 N GLN A 66 10.972 2.722 6.458 1.00 0.00 N ATOM 924 CA GLN A 66 10.434 2.768 5.115 1.00 0.00 C ATOM 925 C GLN A 66 9.052 3.400 5.090 1.00 0.00 C ATOM 926 O GLN A 66 8.710 4.088 4.142 1.00 0.00 O ATOM 927 CB GLN A 66 10.367 1.361 4.553 1.00 0.00 C ATOM 928 CG GLN A 66 11.711 0.694 4.428 1.00 0.00 C ATOM 929 CD GLN A 66 12.505 1.222 3.262 1.00 0.00 C ATOM 930 OE1 GLN A 66 12.415 2.395 2.899 1.00 0.00 O ATOM 931 NE2 GLN A 66 13.273 0.349 2.657 1.00 0.00 N ATOM 0 H GLN A 66 11.097 1.779 6.826 1.00 0.00 H new ATOM 0 HA GLN A 66 11.093 3.384 4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.728 0.753 5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.895 1.394 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.276 0.845 5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.571 -0.381 4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.315 -0.613 2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.828 0.631 1.849 1.00 0.00 H new ATOM 940 N MET A 67 8.251 3.180 6.126 1.00 0.00 N ATOM 941 CA MET A 67 6.925 3.769 6.174 1.00 0.00 C ATOM 942 C MET A 67 7.023 5.270 6.396 1.00 0.00 C ATOM 943 O MET A 67 6.206 6.035 5.886 1.00 0.00 O ATOM 944 CB MET A 67 6.073 3.136 7.264 1.00 0.00 C ATOM 945 CG MET A 67 4.656 3.679 7.266 1.00 0.00 C ATOM 946 SD MET A 67 3.707 3.168 8.709 1.00 0.00 S ATOM 947 CE MET A 67 2.282 4.241 8.565 1.00 0.00 C ATOM 0 H MET A 67 8.495 2.605 6.933 1.00 0.00 H new ATOM 0 HA MET A 67 6.442 3.578 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.047 2.056 7.122 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.533 3.319 8.235 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.690 4.768 7.228 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.144 3.344 6.364 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.563 3.998 9.347 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.596 5.279 8.671 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.818 4.100 7.589 1.00 0.00 H new ATOM 957 N GLY A 68 8.032 5.687 7.154 1.00 0.00 N ATOM 958 CA GLY A 68 8.320 7.104 7.287 1.00 0.00 C ATOM 959 C GLY A 68 8.795 7.684 5.969 1.00 0.00 C ATOM 960 O GLY A 68 8.682 8.884 5.718 1.00 0.00 O ATOM 0 H GLY A 68 8.654 5.071 7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.426 7.631 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.082 7.254 8.051 1.00 0.00 H new ATOM 964 N ASN A 69 9.332 6.805 5.134 1.00 0.00 N ATOM 965 CA ASN A 69 9.736 7.148 3.781 1.00 0.00 C ATOM 966 C ASN A 69 8.543 7.074 2.835 1.00 0.00 C ATOM 967 O ASN A 69 8.581 7.587 1.716 1.00 0.00 O ATOM 968 CB ASN A 69 10.814 6.175 3.311 1.00 0.00 C ATOM 969 CG ASN A 69 12.193 6.504 3.844 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.513 7.662 4.116 1.00 0.00 O ATOM 971 ND2 ASN A 69 13.024 5.482 3.995 1.00 0.00 N ATOM 0 H ASN A 69 9.500 5.829 5.379 1.00 0.00 H new ATOM 0 HA ASN A 69 10.127 8.165 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.543 5.166 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.844 6.175 2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.968 5.640 4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.720 4.538 3.758 1.00 0.00 H new ATOM 978 N GLY A 70 7.492 6.417 3.297 1.00 0.00 N ATOM 979 CA GLY A 70 6.277 6.295 2.519 1.00 0.00 C ATOM 980 C GLY A 70 6.153 4.947 1.841 1.00 0.00 C ATOM 981 O GLY A 70 5.630 4.853 0.738 1.00 0.00 O ATOM 0 H GLY A 70 7.459 5.960 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.416 6.451 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.253 7.081 1.764 1.00 0.00 H new ATOM 985 N PHE A 71 6.662 3.899 2.473 1.00 0.00 N ATOM 986 CA PHE A 71 6.605 2.561 1.896 1.00 0.00 C ATOM 987 C PHE A 71 5.906 1.598 2.846 1.00 0.00 C ATOM 988 O PHE A 71 6.187 1.575 4.043 1.00 0.00 O ATOM 989 CB PHE A 71 8.019 2.077 1.550 1.00 0.00 C ATOM 990 CG PHE A 71 8.810 3.089 0.765 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.214 3.768 -0.275 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.131 3.363 1.069 1.00 0.00 C ATOM 993 CE1 PHE A 71 8.904 4.706 -1.005 1.00 0.00 C ATOM 994 CE2 PHE A 71 10.839 4.302 0.341 1.00 0.00 C ATOM 995 CZ PHE A 71 10.223 4.976 -0.697 1.00 0.00 C ATOM 0 H PHE A 71 7.119 3.948 3.384 1.00 0.00 H new ATOM 0 HA PHE A 71 6.023 2.596 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.552 1.842 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.951 1.153 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.184 3.559 -0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.614 2.840 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.418 5.229 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.871 4.508 0.583 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.772 5.712 -1.266 1.00 0.00 H new ATOM 1005 N VAL A 72 4.983 0.813 2.295 1.00 0.00 N ATOM 1006 CA VAL A 72 4.022 0.040 3.082 1.00 0.00 C ATOM 1007 C VAL A 72 3.644 -1.260 2.338 1.00 0.00 C ATOM 1008 O VAL A 72 4.209 -1.555 1.289 1.00 0.00 O ATOM 1009 CB VAL A 72 2.756 0.900 3.337 1.00 0.00 C ATOM 1010 CG1 VAL A 72 3.122 2.218 3.985 1.00 0.00 C ATOM 1011 CG2 VAL A 72 2.015 1.147 2.029 1.00 0.00 C ATOM 0 H VAL A 72 4.879 0.694 1.287 1.00 0.00 H new ATOM 0 HA VAL A 72 4.473 -0.229 4.037 1.00 0.00 H new ATOM 0 HB VAL A 72 2.103 0.353 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.218 2.804 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.616 2.030 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.795 2.771 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.129 1.752 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.669 1.673 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.716 0.193 1.594 1.00 0.00 H new ATOM 1021 N LEU A 73 2.749 -2.064 2.911 1.00 0.00 N ATOM 1022 CA LEU A 73 2.239 -3.280 2.252 1.00 0.00 C ATOM 1023 C LEU A 73 0.725 -3.192 2.090 1.00 0.00 C ATOM 1024 O LEU A 73 0.046 -2.745 2.993 1.00 0.00 O ATOM 1025 CB LEU A 73 2.591 -4.528 3.071 1.00 0.00 C ATOM 1026 CG LEU A 73 2.091 -5.862 2.508 1.00 0.00 C ATOM 1027 CD1 LEU A 73 2.765 -6.182 1.182 1.00 0.00 C ATOM 1028 CD2 LEU A 73 2.329 -6.982 3.511 1.00 0.00 C ATOM 0 H LEU A 73 2.356 -1.899 3.837 1.00 0.00 H new ATOM 0 HA LEU A 73 2.707 -3.357 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.675 -4.581 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.186 -4.405 4.076 1.00 0.00 H new ATOM 0 HG LEU A 73 1.019 -5.775 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.392 -7.134 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.544 -5.394 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.843 -6.247 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.969 -7.924 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.396 -7.062 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.793 -6.763 4.435 1.00 0.00 H new ATOM 1040 N THR A 74 0.190 -3.580 0.937 1.00 0.00 N ATOM 1041 CA THR A 74 -1.254 -3.482 0.730 1.00 0.00 C ATOM 1042 C THR A 74 -1.979 -4.763 1.167 1.00 0.00 C ATOM 1043 O THR A 74 -3.196 -4.747 1.369 1.00 0.00 O ATOM 1044 CB THR A 74 -1.611 -3.165 -0.743 1.00 0.00 C ATOM 1045 OG1 THR A 74 -2.935 -2.627 -0.819 1.00 0.00 O ATOM 1046 CG2 THR A 74 -1.537 -4.411 -1.614 1.00 0.00 C ATOM 0 H THR A 74 0.717 -3.956 0.149 1.00 0.00 H new ATOM 0 HA THR A 74 -1.592 -2.655 1.354 1.00 0.00 H new ATOM 0 HB THR A 74 -0.886 -2.438 -1.109 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.154 -2.427 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.793 -4.153 -2.641 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.526 -4.817 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.239 -5.157 -1.242 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.238 -5.862 1.316 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.846 -7.148 1.648 1.00 0.00 C ATOM 1056 C CYS A 75 -2.266 -7.244 3.111 1.00 0.00 C ATOM 1057 O CYS A 75 -3.351 -7.731 3.407 1.00 0.00 O ATOM 1058 CB CYS A 75 -0.919 -8.309 1.279 1.00 0.00 C ATOM 1059 SG CYS A 75 -1.420 -9.179 -0.229 1.00 0.00 S ATOM 0 H CYS A 75 -0.224 -5.886 1.213 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.755 -7.220 1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.094 -7.928 1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.890 -9.018 2.106 1.00 0.00 H new ATOM 0 HG CYS A 75 -0.583 -10.144 -0.472 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.424 -6.791 4.028 1.00 0.00 N ATOM 1065 CA VAL A 76 -1.773 -6.846 5.443 1.00 0.00 C ATOM 1066 C VAL A 76 -1.637 -5.469 6.077 1.00 0.00 C ATOM 1067 O VAL A 76 -0.991 -5.296 7.113 1.00 0.00 O ATOM 1068 CB VAL A 76 -0.912 -7.862 6.230 1.00 0.00 C ATOM 1069 CG1 VAL A 76 -1.571 -8.203 7.561 1.00 0.00 C ATOM 1070 CG2 VAL A 76 -0.673 -9.124 5.418 1.00 0.00 C ATOM 0 H VAL A 76 -0.509 -6.388 3.825 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.809 -7.180 5.496 1.00 0.00 H new ATOM 0 HB VAL A 76 0.055 -7.400 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.951 -8.919 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.680 -7.296 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.554 -8.638 7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.065 -9.819 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.629 -9.590 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.153 -8.869 4.494 1.00 0.00 H new ATOM 1080 N ALA A 77 -2.241 -4.481 5.439 1.00 0.00 N ATOM 1081 CA ALA A 77 -2.224 -3.130 5.961 1.00 0.00 C ATOM 1082 C ALA A 77 -3.415 -2.344 5.466 1.00 0.00 C ATOM 1083 O ALA A 77 -3.847 -2.498 4.324 1.00 0.00 O ATOM 1084 CB ALA A 77 -0.942 -2.414 5.589 1.00 0.00 C ATOM 0 H ALA A 77 -2.748 -4.591 4.561 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.278 -3.200 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.959 -1.403 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.090 -2.956 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.853 -2.368 4.504 1.00 0.00 H new ATOM 1090 N TYR A 78 -3.940 -1.510 6.337 1.00 0.00 N ATOM 1091 CA TYR A 78 -5.044 -0.637 5.998 1.00 0.00 C ATOM 1092 C TYR A 78 -4.808 0.746 6.549 1.00 0.00 C ATOM 1093 O TYR A 78 -4.106 0.908 7.533 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.360 -1.181 6.525 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.305 -1.762 7.921 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.256 -0.946 9.040 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.318 -3.138 8.113 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -6.219 -1.483 10.313 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.283 -3.683 9.380 1.00 0.00 C ATOM 1100 CZ TYR A 78 -6.236 -2.852 10.479 1.00 0.00 C ATOM 1101 OH TYR A 78 -6.200 -3.392 11.747 1.00 0.00 O ATOM 0 H TYR A 78 -3.614 -1.418 7.299 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.104 -0.587 4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.098 -0.379 6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.715 -1.952 5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.247 0.127 8.915 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.356 -3.793 7.255 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.177 -0.833 11.174 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.292 -4.755 9.510 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.220 -4.370 11.687 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.412 1.758 5.933 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.200 3.143 6.311 1.00 0.00 C ATOM 1113 C PRO A 79 -5.692 3.415 7.716 1.00 0.00 C ATOM 1114 O PRO A 79 -6.842 3.149 8.039 1.00 0.00 O ATOM 1115 CB PRO A 79 -6.019 3.928 5.287 1.00 0.00 C ATOM 1116 CG PRO A 79 -7.042 2.971 4.804 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.389 1.626 4.848 1.00 0.00 C ATOM 0 HA PRO A 79 -4.145 3.416 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.481 4.806 5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.393 4.284 4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.931 2.996 5.435 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.363 3.218 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.111 0.835 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.907 1.382 3.901 1.00 0.00 H new ATOM 1125 N THR A 80 -4.805 3.900 8.562 1.00 0.00 N ATOM 1126 CA THR A 80 -5.197 4.320 9.898 1.00 0.00 C ATOM 1127 C THR A 80 -5.625 5.778 9.867 1.00 0.00 C ATOM 1128 O THR A 80 -6.057 6.344 10.874 1.00 0.00 O ATOM 1129 CB THR A 80 -4.052 4.123 10.904 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.816 4.570 10.328 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.932 2.662 11.310 1.00 0.00 C ATOM 0 H THR A 80 -3.813 4.014 8.353 1.00 0.00 H new ATOM 0 HA THR A 80 -6.033 3.701 10.223 1.00 0.00 H new ATOM 0 HB THR A 80 -4.272 4.711 11.795 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.090 4.444 10.974 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.115 2.548 12.022 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.864 2.335 11.771 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.731 2.054 10.428 1.00 0.00 H new ATOM 1139 N SER A 81 -5.482 6.373 8.693 1.00 0.00 N ATOM 1140 CA SER A 81 -5.989 7.706 8.421 1.00 0.00 C ATOM 1141 C SER A 81 -6.351 7.796 6.949 1.00 0.00 C ATOM 1142 O SER A 81 -6.078 6.870 6.183 1.00 0.00 O ATOM 1143 CB SER A 81 -4.945 8.768 8.735 1.00 0.00 C ATOM 1144 OG SER A 81 -4.302 8.522 9.975 1.00 0.00 O ATOM 0 H SER A 81 -5.008 5.941 7.899 1.00 0.00 H new ATOM 0 HA SER A 81 -6.861 7.882 9.051 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.201 8.794 7.938 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.420 9.749 8.760 1.00 0.00 H new ATOM 0 HG SER A 81 -3.495 7.987 9.824 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.945 8.903 6.549 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.247 9.131 5.156 1.00 0.00 C ATOM 1152 C ASP A 82 -5.953 9.506 4.450 1.00 0.00 C ATOM 1153 O ASP A 82 -5.216 10.379 4.910 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.310 10.223 5.004 1.00 0.00 C ATOM 1155 CG ASP A 82 -7.905 11.554 5.607 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -7.956 11.689 6.849 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -7.555 12.474 4.842 1.00 0.00 O ATOM 0 H ASP A 82 -7.227 9.659 7.173 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.659 8.229 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.525 10.364 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.234 9.887 5.475 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.659 8.832 3.357 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.319 8.868 2.799 1.00 0.00 C ATOM 1164 C CYS A 83 -4.326 8.739 1.288 1.00 0.00 C ATOM 1165 O CYS A 83 -5.369 8.740 0.648 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.518 7.725 3.418 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.238 6.093 3.156 1.00 0.00 S ATOM 0 H CYS A 83 -6.323 8.256 2.839 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.867 9.832 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.510 7.736 3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.424 7.901 4.490 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.611 5.220 3.887 1.00 0.00 H new ATOM 1173 N THR A 84 -3.137 8.654 0.740 1.00 0.00 N ATOM 1174 CA THR A 84 -2.934 8.431 -0.671 1.00 0.00 C ATOM 1175 C THR A 84 -1.838 7.405 -0.832 1.00 0.00 C ATOM 1176 O THR A 84 -0.734 7.611 -0.349 1.00 0.00 O ATOM 1177 CB THR A 84 -2.526 9.722 -1.386 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.625 10.640 -1.416 1.00 0.00 O ATOM 1179 CG2 THR A 84 -2.046 9.419 -2.794 1.00 0.00 C ATOM 0 H THR A 84 -2.270 8.739 1.271 1.00 0.00 H new ATOM 0 HA THR A 84 -3.867 8.082 -1.114 1.00 0.00 H new ATOM 0 HB THR A 84 -1.705 10.182 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.352 11.462 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.760 10.347 -3.289 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.186 8.751 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.848 8.940 -3.357 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.129 6.306 -1.495 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.239 5.168 -1.474 1.00 0.00 C ATOM 1189 C ILE A 85 -0.900 4.702 -2.883 1.00 0.00 C ATOM 1190 O ILE A 85 -1.769 4.340 -3.663 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.835 3.995 -0.665 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -2.141 4.409 0.794 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.894 2.799 -0.698 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -1.155 5.373 1.415 1.00 0.00 C ATOM 0 H ILE A 85 -2.973 6.178 -2.053 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.322 5.495 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.779 3.712 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.133 4.860 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.180 3.510 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.327 1.980 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.746 2.481 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.066 3.079 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.461 5.598 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.162 4.923 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.130 6.294 0.832 1.00 0.00 H new ATOM 1206 N GLN A 86 0.376 4.725 -3.184 1.00 0.00 N ATOM 1207 CA GLN A 86 0.905 4.294 -4.463 1.00 0.00 C ATOM 1208 C GLN A 86 0.941 2.765 -4.504 1.00 0.00 C ATOM 1209 O GLN A 86 1.250 2.126 -3.511 1.00 0.00 O ATOM 1210 CB GLN A 86 2.304 4.883 -4.583 1.00 0.00 C ATOM 1211 CG GLN A 86 2.538 5.788 -5.779 1.00 0.00 C ATOM 1212 CD GLN A 86 3.852 6.555 -5.680 1.00 0.00 C ATOM 1213 OE1 GLN A 86 4.799 6.031 -4.906 1.00 0.00 O flip ATOM 1214 NE2 GLN A 86 3.999 7.628 -6.263 1.00 0.00 N flip ATOM 0 H GLN A 86 1.093 5.050 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 86 0.287 4.632 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.519 5.448 -3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.021 4.063 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.538 5.189 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.713 6.495 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.250 7.997 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.870 8.148 -6.162 1.00 0.00 H new ATOM 1223 N THR A 87 0.617 2.184 -5.648 1.00 0.00 N ATOM 1224 CA THR A 87 0.424 0.739 -5.732 1.00 0.00 C ATOM 1225 C THR A 87 1.693 -0.051 -6.081 1.00 0.00 C ATOM 1226 O THR A 87 2.386 -0.560 -5.208 1.00 0.00 O ATOM 1227 CB THR A 87 -0.656 0.421 -6.774 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.369 1.116 -7.998 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.021 0.834 -6.272 1.00 0.00 C ATOM 0 H THR A 87 0.482 2.683 -6.527 1.00 0.00 H new ATOM 0 HA THR A 87 0.124 0.424 -4.733 1.00 0.00 H new ATOM 0 HB THR A 87 -0.657 -0.654 -6.952 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.209 0.466 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.772 0.600 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.249 0.295 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.027 1.906 -6.075 1.00 0.00 H new ATOM 1237 N HIS A 88 1.987 -0.103 -7.370 1.00 0.00 N ATOM 1238 CA HIS A 88 2.948 -1.059 -7.950 1.00 0.00 C ATOM 1239 C HIS A 88 4.411 -0.738 -7.660 1.00 0.00 C ATOM 1240 O HIS A 88 5.299 -1.267 -8.320 1.00 0.00 O ATOM 1241 CB HIS A 88 2.757 -1.104 -9.461 1.00 0.00 C ATOM 1242 CG HIS A 88 1.492 -1.775 -9.897 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.234 -1.297 -9.581 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.292 -2.895 -10.629 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.677 -2.095 -10.100 1.00 0.00 C ATOM 1246 NE2 HIS A 88 -0.064 -3.069 -10.739 1.00 0.00 N ATOM 0 H HIS A 88 1.567 0.519 -8.060 1.00 0.00 H new ATOM 0 HA HIS A 88 2.738 -2.019 -7.478 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.767 -0.085 -9.848 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.604 -1.624 -9.908 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.057 -3.532 -11.048 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.747 -1.971 -10.015 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.524 -3.831 -11.237 1.00 0.00 H new ATOM 1255 N GLN A 89 4.667 0.103 -6.685 1.00 0.00 N ATOM 1256 CA GLN A 89 6.013 0.616 -6.457 1.00 0.00 C ATOM 1257 C GLN A 89 6.821 -0.253 -5.484 1.00 0.00 C ATOM 1258 O GLN A 89 7.500 0.275 -4.605 1.00 0.00 O ATOM 1259 CB GLN A 89 5.980 2.066 -5.985 1.00 0.00 C ATOM 1260 CG GLN A 89 4.610 2.702 -6.090 1.00 0.00 C ATOM 1261 CD GLN A 89 4.197 2.991 -7.518 1.00 0.00 C ATOM 1262 OE1 GLN A 89 2.912 2.873 -7.787 1.00 0.00 O flip ATOM 1263 NE2 GLN A 89 5.022 3.289 -8.373 1.00 0.00 N flip ATOM 0 H GLN A 89 3.965 0.451 -6.032 1.00 0.00 H new ATOM 0 HA GLN A 89 6.524 0.576 -7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.315 2.111 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.689 2.648 -6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.874 2.042 -5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.603 3.632 -5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.008 3.370 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.723 3.456 -9.334 1.00 0.00 H new ATOM 1272 N GLU A 90 6.688 -1.576 -5.590 1.00 0.00 N ATOM 1273 CA GLU A 90 7.504 -2.514 -4.801 1.00 0.00 C ATOM 1274 C GLU A 90 8.966 -2.059 -4.732 1.00 0.00 C ATOM 1275 O GLU A 90 9.561 -2.004 -3.652 1.00 0.00 O ATOM 1276 CB GLU A 90 7.458 -3.907 -5.433 1.00 0.00 C ATOM 1277 CG GLU A 90 8.530 -4.847 -4.898 1.00 0.00 C ATOM 1278 CD GLU A 90 8.716 -6.079 -5.757 1.00 0.00 C ATOM 1279 OE1 GLU A 90 8.866 -5.933 -6.988 1.00 0.00 O ATOM 1280 OE2 GLU A 90 8.737 -7.194 -5.202 1.00 0.00 O ATOM 0 H GLU A 90 6.021 -2.028 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 90 7.091 -2.540 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.477 -4.347 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.573 -3.812 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.476 -4.310 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.266 -5.153 -3.886 1.00 0.00 H new ATOM 1287 N GLU A 91 9.499 -1.697 -5.897 1.00 0.00 N ATOM 1288 CA GLU A 91 10.885 -1.255 -6.069 1.00 0.00 C ATOM 1289 C GLU A 91 11.260 -0.176 -5.051 1.00 0.00 C ATOM 1290 O GLU A 91 12.412 -0.075 -4.626 1.00 0.00 O ATOM 1291 CB GLU A 91 11.053 -0.702 -7.487 1.00 0.00 C ATOM 1292 CG GLU A 91 12.493 -0.614 -7.956 1.00 0.00 C ATOM 1293 CD GLU A 91 13.098 -1.977 -8.212 1.00 0.00 C ATOM 1294 OE1 GLU A 91 12.983 -2.478 -9.350 1.00 0.00 O ATOM 1295 OE2 GLU A 91 13.689 -2.557 -7.278 1.00 0.00 O ATOM 0 H GLU A 91 8.969 -1.702 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 91 11.545 -2.108 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.496 -1.333 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.607 0.292 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.540 -0.021 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.086 -0.091 -7.206 1.00 0.00 H new ATOM 1302 N ALA A 92 10.270 0.616 -4.660 1.00 0.00 N ATOM 1303 CA ALA A 92 10.484 1.782 -3.822 1.00 0.00 C ATOM 1304 C ALA A 92 11.074 1.412 -2.469 1.00 0.00 C ATOM 1305 O ALA A 92 11.878 2.153 -1.912 1.00 0.00 O ATOM 1306 CB ALA A 92 9.174 2.524 -3.636 1.00 0.00 C ATOM 0 H ALA A 92 9.295 0.465 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 92 11.205 2.427 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.338 3.399 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.795 2.842 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.447 1.866 -3.160 1.00 0.00 H new ATOM 1312 N LEU A 93 10.668 0.267 -1.944 1.00 0.00 N ATOM 1313 CA LEU A 93 11.136 -0.184 -0.649 1.00 0.00 C ATOM 1314 C LEU A 93 12.546 -0.757 -0.764 1.00 0.00 C ATOM 1315 O LEU A 93 13.260 -0.888 0.227 1.00 0.00 O ATOM 1316 CB LEU A 93 10.150 -1.222 -0.093 1.00 0.00 C ATOM 1317 CG LEU A 93 10.628 -2.669 -0.052 1.00 0.00 C ATOM 1318 CD1 LEU A 93 11.277 -2.959 1.288 1.00 0.00 C ATOM 1319 CD2 LEU A 93 9.466 -3.616 -0.308 1.00 0.00 C ATOM 0 H LEU A 93 10.012 -0.368 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 93 11.183 0.658 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.879 -0.925 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.240 -1.181 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 93 11.369 -2.823 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.617 -3.995 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.129 -2.294 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.552 -2.797 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.822 -4.646 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.703 -3.472 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.038 -3.410 -1.289 1.00 0.00 H new ATOM 1331 N TYR A 94 12.954 -1.076 -1.980 1.00 0.00 N ATOM 1332 CA TYR A 94 14.230 -1.742 -2.183 1.00 0.00 C ATOM 1333 C TYR A 94 15.381 -0.735 -2.264 1.00 0.00 C ATOM 1334 O TYR A 94 16.184 -0.642 -1.335 1.00 0.00 O ATOM 1335 CB TYR A 94 14.148 -2.636 -3.419 1.00 0.00 C ATOM 1336 CG TYR A 94 15.408 -3.409 -3.730 1.00 0.00 C ATOM 1337 CD1 TYR A 94 16.209 -3.919 -2.716 1.00 0.00 C ATOM 1338 CD2 TYR A 94 15.786 -3.643 -5.044 1.00 0.00 C ATOM 1339 CE1 TYR A 94 17.352 -4.636 -3.003 1.00 0.00 C ATOM 1340 CE2 TYR A 94 16.929 -4.360 -5.342 1.00 0.00 C ATOM 1341 CZ TYR A 94 17.709 -4.854 -4.315 1.00 0.00 C ATOM 1342 OH TYR A 94 18.846 -5.573 -4.603 1.00 0.00 O ATOM 0 H TYR A 94 12.428 -0.888 -2.833 1.00 0.00 H new ATOM 0 HA TYR A 94 14.445 -2.375 -1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 94 13.329 -3.343 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 94 13.897 -2.018 -4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.932 -3.751 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.176 -3.258 -5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.964 -5.025 -2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.210 -4.533 -6.370 1.00 0.00 H new ATOM 0 HH TYR A 94 18.955 -5.637 -5.575 1.00 0.00 H new