USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 859 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 102 GLN : amide:sc= 0.723 K(o=1.7,f=-4.4!) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -175:sc= 0.947 (180deg=0) USER MOD Set 2.1: A 69 SER OG : rot 156:sc= 1.27 USER MOD Set 2.2: A 76 GLN : amide:sc= 1.18 K(o=2.4,f=-0.85) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.82 K(o=1.8,f=-3.7!) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -179:sc= 1 (180deg=0) USER MOD Set 4.1: A 19 LYS NZ :NH3+ 165:sc= 1.78 (180deg=1.06) USER MOD Set 4.2: A 109 SER OG : rot 22:sc= 1.7 USER MOD Set 5.1: A 17 SER OG : rot -81:sc= 1.23 USER MOD Set 5.2: A 18 HIS : no HD1:sc= -0.0577 X(o=1.2,f=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.18 (180deg=0.95) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 84:sc= 1.12 USER MOD Single : A 10 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -77:sc= 1.19 USER MOD Single : A 24 MET CE :methyl 180:sc= -0.162 (180deg=-0.162) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.393 USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0.884 (180deg=0.879) USER MOD Single : A 32 GLN : amide:sc= 0.807 K(o=0.81,f=-1.3) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.0811 USER MOD Single : A 36 SER OG : rot 85:sc= 1.34 USER MOD Single : A 37 GLN : amide:sc= -0.0711 X(o=-0.071,f=-0.079) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00742 K(o=-0.0074,f=-0.83) USER MOD Single : A 52 SER OG : rot -3:sc= 0.287 USER MOD Single : A 54 ASN : amide:sc= -0.014 K(o=-0.014,f=-2.6) USER MOD Single : A 58 ASN : amide:sc= 0.316 K(o=0.32,f=-4.8!) USER MOD Single : A 63 GLN : amide:sc= 1.23 K(o=1.2,f=-3.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 78:sc= 1.04 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 133:sc= 0.467 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.486 USER MOD Single : A 90 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 77:sc= 1.25 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 CYS SG : rot -76:sc= 0.505 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.685 1.214 -0.381 1.00 0.00 N ATOM 2 CA MET A 1 2.669 2.119 0.238 1.00 0.00 C ATOM 3 C MET A 1 1.561 2.479 -0.770 1.00 0.00 C ATOM 4 O MET A 1 1.724 2.250 -1.969 1.00 0.00 O ATOM 5 CB MET A 1 3.317 3.407 0.802 1.00 0.00 C ATOM 6 CG MET A 1 4.295 3.168 1.962 1.00 0.00 C ATOM 7 SD MET A 1 3.565 2.356 3.412 1.00 0.00 S ATOM 8 CE MET A 1 4.996 2.373 4.527 1.00 0.00 C ATOM 0 H1 MET A 1 4.235 0.747 0.367 1.00 0.00 H new ATOM 0 H2 MET A 1 3.204 0.495 -0.957 1.00 0.00 H new ATOM 0 H3 MET A 1 4.324 1.770 -0.984 1.00 0.00 H new ATOM 0 HA MET A 1 2.221 1.575 1.070 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.845 3.917 -0.004 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.528 4.078 1.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.125 2.560 1.601 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.713 4.126 2.271 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.724 1.908 5.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.817 1.818 4.073 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.307 3.403 4.704 1.00 0.00 H new ATOM 20 N ALA A 2 0.437 3.050 -0.314 1.00 0.00 N ATOM 21 CA ALA A 2 -0.627 3.537 -1.206 1.00 0.00 C ATOM 22 C ALA A 2 -0.172 4.787 -1.988 1.00 0.00 C ATOM 23 O ALA A 2 0.381 5.722 -1.407 1.00 0.00 O ATOM 24 CB ALA A 2 -1.894 3.812 -0.384 1.00 0.00 C ATOM 0 H ALA A 2 0.240 3.187 0.677 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.852 2.769 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.684 4.173 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.219 2.892 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.680 4.566 0.373 1.00 0.00 H new ATOM 30 N LEU A 3 -0.432 4.812 -3.300 1.00 0.00 N ATOM 31 CA LEU A 3 -0.016 5.869 -4.236 1.00 0.00 C ATOM 32 C LEU A 3 -0.916 5.813 -5.485 1.00 0.00 C ATOM 33 O LEU A 3 -0.758 4.934 -6.338 1.00 0.00 O ATOM 34 CB LEU A 3 1.494 5.688 -4.536 1.00 0.00 C ATOM 35 CG LEU A 3 2.104 6.567 -5.649 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.883 8.069 -5.437 1.00 0.00 C ATOM 37 CD2 LEU A 3 3.612 6.288 -5.740 1.00 0.00 C ATOM 0 H LEU A 3 -0.958 4.069 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.139 6.867 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.046 5.878 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.663 4.644 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 3 1.592 6.302 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.339 8.623 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.814 8.279 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.339 8.375 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.050 6.906 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.084 6.524 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.774 5.236 -5.974 1.00 0.00 H new ATOM 49 N THR A 4 -1.902 6.720 -5.558 1.00 0.00 N ATOM 50 CA THR A 4 -2.981 6.710 -6.564 1.00 0.00 C ATOM 51 C THR A 4 -2.629 7.558 -7.794 1.00 0.00 C ATOM 52 O THR A 4 -1.798 8.462 -7.678 1.00 0.00 O ATOM 53 CB THR A 4 -4.298 7.205 -5.945 1.00 0.00 C ATOM 54 OG1 THR A 4 -4.122 8.530 -5.504 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.743 6.345 -4.762 1.00 0.00 C ATOM 0 H THR A 4 -1.975 7.500 -4.905 1.00 0.00 H new ATOM 0 HA THR A 4 -3.103 5.679 -6.895 1.00 0.00 H new ATOM 0 HB THR A 4 -5.071 7.141 -6.711 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.957 8.857 -5.109 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.678 6.735 -4.360 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.892 5.318 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.977 6.368 -3.987 1.00 0.00 H new ATOM 63 N PRO A 5 -3.288 7.343 -8.954 1.00 0.00 N ATOM 64 CA PRO A 5 -3.182 8.229 -10.112 1.00 0.00 C ATOM 65 C PRO A 5 -3.540 9.682 -9.780 1.00 0.00 C ATOM 66 O PRO A 5 -2.894 10.593 -10.289 1.00 0.00 O ATOM 67 CB PRO A 5 -4.137 7.654 -11.166 1.00 0.00 C ATOM 68 CG PRO A 5 -4.220 6.175 -10.801 1.00 0.00 C ATOM 69 CD PRO A 5 -4.140 6.202 -9.276 1.00 0.00 C ATOM 0 HA PRO A 5 -2.153 8.266 -10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.115 8.133 -11.125 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.753 7.797 -12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.148 5.723 -11.150 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.402 5.603 -11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.129 6.313 -8.832 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.719 5.275 -8.888 1.00 0.00 H new ATOM 77 N ALA A 6 -4.525 9.914 -8.900 1.00 0.00 N ATOM 78 CA ALA A 6 -4.923 11.251 -8.451 1.00 0.00 C ATOM 79 C ALA A 6 -3.816 11.946 -7.638 1.00 0.00 C ATOM 80 O ALA A 6 -3.547 13.130 -7.859 1.00 0.00 O ATOM 81 CB ALA A 6 -6.220 11.116 -7.641 1.00 0.00 C ATOM 0 H ALA A 6 -5.074 9.166 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.092 11.887 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.537 12.100 -7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.999 10.684 -8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.047 10.468 -6.782 1.00 0.00 H new ATOM 87 N LEU A 7 -3.133 11.219 -6.745 1.00 0.00 N ATOM 88 CA LEU A 7 -1.980 11.732 -5.993 1.00 0.00 C ATOM 89 C LEU A 7 -0.829 12.071 -6.945 1.00 0.00 C ATOM 90 O LEU A 7 -0.316 13.190 -6.918 1.00 0.00 O ATOM 91 CB LEU A 7 -1.594 10.695 -4.920 1.00 0.00 C ATOM 92 CG LEU A 7 -0.350 11.056 -4.079 1.00 0.00 C ATOM 93 CD1 LEU A 7 -0.514 12.371 -3.315 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.060 9.940 -3.071 1.00 0.00 C ATOM 0 H LEU A 7 -3.366 10.251 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.232 12.663 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.441 10.558 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.417 9.737 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 7 0.477 11.173 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.391 12.574 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.686 13.183 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.364 12.294 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.819 10.202 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.917 9.816 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.125 9.007 -3.604 1.00 0.00 H new ATOM 106 N LYS A 8 -0.487 11.161 -7.865 1.00 0.00 N ATOM 107 CA LYS A 8 0.557 11.395 -8.876 1.00 0.00 C ATOM 108 C LYS A 8 0.249 12.624 -9.753 1.00 0.00 C ATOM 109 O LYS A 8 1.136 13.446 -9.984 1.00 0.00 O ATOM 110 CB LYS A 8 0.703 10.142 -9.757 1.00 0.00 C ATOM 111 CG LYS A 8 1.330 8.936 -9.038 1.00 0.00 C ATOM 112 CD LYS A 8 1.503 7.793 -10.052 1.00 0.00 C ATOM 113 CE LYS A 8 2.190 6.570 -9.428 1.00 0.00 C ATOM 114 NZ LYS A 8 2.447 5.509 -10.443 1.00 0.00 N ATOM 0 H LYS A 8 -0.924 10.242 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 8 1.492 11.597 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.281 9.857 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.313 10.391 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.294 9.211 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.694 8.616 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.527 7.502 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.091 8.146 -10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.132 6.874 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.565 6.168 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.912 4.698 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.545 5.202 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.064 5.886 -11.191 1.00 0.00 H new ATOM 128 N THR A 9 -1.011 12.783 -10.186 1.00 0.00 N ATOM 129 CA THR A 9 -1.513 13.891 -11.009 1.00 0.00 C ATOM 130 C THR A 9 -1.487 15.218 -10.254 1.00 0.00 C ATOM 131 O THR A 9 -1.122 16.230 -10.845 1.00 0.00 O ATOM 132 CB THR A 9 -2.914 13.540 -11.503 1.00 0.00 C ATOM 133 OG1 THR A 9 -2.841 12.410 -12.344 1.00 0.00 O ATOM 134 CG2 THR A 9 -3.555 14.661 -12.305 1.00 0.00 C ATOM 0 H THR A 9 -1.742 12.109 -9.960 1.00 0.00 H new ATOM 0 HA THR A 9 -0.856 14.027 -11.868 1.00 0.00 H new ATOM 0 HB THR A 9 -3.521 13.356 -10.617 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.844 11.596 -11.799 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.549 14.354 -12.629 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.636 15.553 -11.684 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.940 14.881 -13.178 1.00 0.00 H new ATOM 142 N THR A 10 -1.818 15.223 -8.956 1.00 0.00 N ATOM 143 CA THR A 10 -1.758 16.416 -8.090 1.00 0.00 C ATOM 144 C THR A 10 -0.319 16.905 -7.954 1.00 0.00 C ATOM 145 O THR A 10 -0.035 18.079 -8.196 1.00 0.00 O ATOM 146 CB THR A 10 -2.381 16.118 -6.715 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.720 15.712 -6.896 1.00 0.00 O ATOM 148 CG2 THR A 10 -2.391 17.347 -5.806 1.00 0.00 C ATOM 0 H THR A 10 -2.140 14.388 -8.467 1.00 0.00 H new ATOM 0 HA THR A 10 -2.340 17.213 -8.553 1.00 0.00 H new ATOM 0 HB THR A 10 -1.778 15.340 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.740 14.795 -7.242 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.840 17.087 -4.847 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.369 17.690 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.971 18.142 -6.275 1.00 0.00 H new ATOM 156 N LEU A 11 0.604 15.998 -7.627 1.00 0.00 N ATOM 157 CA LEU A 11 2.032 16.297 -7.474 1.00 0.00 C ATOM 158 C LEU A 11 2.654 16.756 -8.802 1.00 0.00 C ATOM 159 O LEU A 11 3.325 17.785 -8.825 1.00 0.00 O ATOM 160 CB LEU A 11 2.727 15.062 -6.860 1.00 0.00 C ATOM 161 CG LEU A 11 2.632 14.936 -5.316 1.00 0.00 C ATOM 162 CD1 LEU A 11 1.325 15.427 -4.669 1.00 0.00 C ATOM 163 CD2 LEU A 11 2.855 13.474 -4.903 1.00 0.00 C ATOM 0 H LEU A 11 0.378 15.018 -7.458 1.00 0.00 H new ATOM 0 HA LEU A 11 2.173 17.137 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.296 14.166 -7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.780 15.083 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 11 3.410 15.604 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.379 15.287 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.184 16.485 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.485 14.857 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.788 13.388 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.094 12.845 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.842 13.149 -5.232 1.00 0.00 H new ATOM 175 N ASP A 12 2.348 16.099 -9.923 1.00 0.00 N ATOM 176 CA ASP A 12 2.750 16.542 -11.266 1.00 0.00 C ATOM 177 C ASP A 12 2.206 17.936 -11.616 1.00 0.00 C ATOM 178 O ASP A 12 2.963 18.795 -12.067 1.00 0.00 O ATOM 179 CB ASP A 12 2.301 15.505 -12.306 1.00 0.00 C ATOM 180 CG ASP A 12 2.756 15.901 -13.720 1.00 0.00 C ATOM 181 OD1 ASP A 12 3.957 15.723 -14.036 1.00 0.00 O ATOM 182 OD2 ASP A 12 1.908 16.377 -14.512 1.00 0.00 O ATOM 0 H ASP A 12 1.808 15.234 -9.927 1.00 0.00 H new ATOM 0 HA ASP A 12 3.837 16.624 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.711 14.528 -12.050 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.215 15.411 -12.284 1.00 0.00 H new ATOM 187 N LYS A 13 0.925 18.215 -11.341 1.00 0.00 N ATOM 188 CA LYS A 13 0.327 19.547 -11.514 1.00 0.00 C ATOM 189 C LYS A 13 1.034 20.595 -10.642 1.00 0.00 C ATOM 190 O LYS A 13 1.370 21.678 -11.124 1.00 0.00 O ATOM 191 CB LYS A 13 -1.186 19.457 -11.240 1.00 0.00 C ATOM 192 CG LYS A 13 -1.912 20.791 -11.501 1.00 0.00 C ATOM 193 CD LYS A 13 -3.444 20.667 -11.434 1.00 0.00 C ATOM 194 CE LYS A 13 -3.942 20.278 -10.032 1.00 0.00 C ATOM 195 NZ LYS A 13 -5.431 20.245 -9.971 1.00 0.00 N ATOM 0 H LYS A 13 0.269 17.518 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 13 0.464 19.883 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.621 18.681 -11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.348 19.155 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.581 21.527 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.626 21.167 -12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.895 21.615 -11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.777 19.920 -12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.544 19.300 -9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.562 20.990 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.733 19.979 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.809 21.185 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.791 19.547 -10.653 1.00 0.00 H new ATOM 209 N VAL A 14 1.352 20.266 -9.388 1.00 0.00 N ATOM 210 CA VAL A 14 2.173 21.119 -8.510 1.00 0.00 C ATOM 211 C VAL A 14 3.579 21.348 -9.096 1.00 0.00 C ATOM 212 O VAL A 14 3.997 22.496 -9.214 1.00 0.00 O ATOM 213 CB VAL A 14 2.194 20.589 -7.064 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.344 21.148 -6.215 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.859 20.881 -6.359 1.00 0.00 C ATOM 0 H VAL A 14 1.049 19.398 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 14 1.704 22.102 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 14 2.353 19.514 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.292 20.729 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.297 20.880 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.261 22.233 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.895 20.498 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.687 21.957 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.048 20.395 -6.900 1.00 0.00 H new ATOM 225 N VAL A 15 4.278 20.293 -9.534 1.00 0.00 N ATOM 226 CA VAL A 15 5.633 20.370 -10.122 1.00 0.00 C ATOM 227 C VAL A 15 5.692 21.199 -11.418 1.00 0.00 C ATOM 228 O VAL A 15 6.666 21.917 -11.648 1.00 0.00 O ATOM 229 CB VAL A 15 6.192 18.951 -10.354 1.00 0.00 C ATOM 230 CG1 VAL A 15 7.372 18.857 -11.336 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.632 18.323 -9.024 1.00 0.00 C ATOM 0 H VAL A 15 3.915 19.341 -9.491 1.00 0.00 H new ATOM 0 HA VAL A 15 6.258 20.896 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 15 5.361 18.411 -10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.688 17.818 -11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.063 19.229 -12.313 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.203 19.458 -10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.024 17.322 -9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.408 18.939 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.777 18.261 -8.351 1.00 0.00 H new ATOM 241 N THR A 16 4.663 21.097 -12.269 1.00 0.00 N ATOM 242 CA THR A 16 4.594 21.797 -13.565 1.00 0.00 C ATOM 243 C THR A 16 4.138 23.247 -13.431 1.00 0.00 C ATOM 244 O THR A 16 4.625 24.102 -14.167 1.00 0.00 O ATOM 245 CB THR A 16 3.719 21.036 -14.574 1.00 0.00 C ATOM 246 OG1 THR A 16 2.486 20.681 -13.996 1.00 0.00 O ATOM 247 CG2 THR A 16 4.405 19.752 -15.045 1.00 0.00 C ATOM 0 H THR A 16 3.844 20.520 -12.078 1.00 0.00 H new ATOM 0 HA THR A 16 5.613 21.821 -13.950 1.00 0.00 H new ATOM 0 HB THR A 16 3.561 21.702 -15.422 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.611 19.907 -13.408 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.762 19.236 -15.758 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.352 20.000 -15.525 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.591 19.104 -14.189 1.00 0.00 H new ATOM 255 N SER A 17 3.260 23.556 -12.473 1.00 0.00 N ATOM 256 CA SER A 17 2.862 24.947 -12.171 1.00 0.00 C ATOM 257 C SER A 17 3.915 25.721 -11.350 1.00 0.00 C ATOM 258 O SER A 17 4.085 26.925 -11.553 1.00 0.00 O ATOM 259 CB SER A 17 1.492 24.982 -11.472 1.00 0.00 C ATOM 260 OG SER A 17 1.454 24.218 -10.275 1.00 0.00 O ATOM 0 H SER A 17 2.804 22.859 -11.884 1.00 0.00 H new ATOM 0 HA SER A 17 2.787 25.459 -13.131 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.234 26.016 -11.243 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.732 24.608 -12.158 1.00 0.00 H new ATOM 0 HG SER A 17 1.324 23.272 -10.495 1.00 0.00 H new ATOM 266 N HIS A 18 4.667 25.047 -10.469 1.00 0.00 N ATOM 267 CA HIS A 18 5.754 25.625 -9.669 1.00 0.00 C ATOM 268 C HIS A 18 6.993 24.709 -9.703 1.00 0.00 C ATOM 269 O HIS A 18 6.988 23.614 -9.141 1.00 0.00 O ATOM 270 CB HIS A 18 5.263 25.826 -8.221 1.00 0.00 C ATOM 271 CG HIS A 18 4.117 26.801 -8.093 1.00 0.00 C ATOM 272 ND1 HIS A 18 4.208 28.175 -8.052 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.786 26.483 -8.007 1.00 0.00 C ATOM 274 CE1 HIS A 18 2.962 28.670 -7.948 1.00 0.00 C ATOM 275 NE2 HIS A 18 2.055 27.676 -7.919 1.00 0.00 N ATOM 0 H HIS A 18 4.531 24.052 -10.288 1.00 0.00 H new ATOM 0 HA HIS A 18 6.041 26.590 -10.087 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.954 24.862 -7.815 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.095 26.177 -7.611 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.372 25.485 -8.007 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.722 29.722 -7.895 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.042 27.771 -7.848 1.00 0.00 H new ATOM 283 N LYS A 19 8.085 25.164 -10.337 1.00 0.00 N ATOM 284 CA LYS A 19 9.263 24.328 -10.647 1.00 0.00 C ATOM 285 C LYS A 19 9.945 23.718 -9.404 1.00 0.00 C ATOM 286 O LYS A 19 10.391 22.571 -9.448 1.00 0.00 O ATOM 287 CB LYS A 19 10.241 25.199 -11.463 1.00 0.00 C ATOM 288 CG LYS A 19 11.279 24.431 -12.296 1.00 0.00 C ATOM 289 CD LYS A 19 10.643 23.634 -13.451 1.00 0.00 C ATOM 290 CE LYS A 19 11.701 23.368 -14.531 1.00 0.00 C ATOM 291 NZ LYS A 19 11.156 22.604 -15.687 1.00 0.00 N ATOM 0 H LYS A 19 8.179 26.129 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 19 8.935 23.461 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.661 25.833 -12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.770 25.860 -10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.005 25.135 -12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.826 23.748 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.242 22.691 -13.079 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.807 24.191 -13.875 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.102 24.318 -14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.532 22.815 -14.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.817 22.667 -16.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.033 21.607 -15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.237 23.003 -15.965 1.00 0.00 H new ATOM 305 N VAL A 20 10.014 24.487 -8.310 1.00 0.00 N ATOM 306 CA VAL A 20 10.530 24.078 -6.987 1.00 0.00 C ATOM 307 C VAL A 20 9.353 23.890 -6.024 1.00 0.00 C ATOM 308 O VAL A 20 8.465 24.739 -5.966 1.00 0.00 O ATOM 309 CB VAL A 20 11.514 25.128 -6.410 1.00 0.00 C ATOM 310 CG1 VAL A 20 12.015 24.718 -5.016 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.726 25.346 -7.330 1.00 0.00 C ATOM 0 H VAL A 20 9.698 25.457 -8.318 1.00 0.00 H new ATOM 0 HA VAL A 20 11.074 23.141 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 20 10.956 26.061 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.703 25.475 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.167 24.628 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.531 23.760 -5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.390 26.089 -6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.264 24.406 -7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.385 25.698 -8.304 1.00 0.00 H new ATOM 321 N VAL A 21 9.363 22.795 -5.262 1.00 0.00 N ATOM 322 CA VAL A 21 8.281 22.411 -4.342 1.00 0.00 C ATOM 323 C VAL A 21 8.868 22.010 -2.985 1.00 0.00 C ATOM 324 O VAL A 21 9.781 21.188 -2.924 1.00 0.00 O ATOM 325 CB VAL A 21 7.462 21.227 -4.911 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.160 21.050 -4.110 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.133 21.381 -6.407 1.00 0.00 C ATOM 0 H VAL A 21 10.139 22.133 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 21 7.620 23.269 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 21 8.089 20.341 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.592 20.214 -4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.400 20.849 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.565 21.961 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.558 20.518 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.549 22.289 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.059 21.445 -6.978 1.00 0.00 H new ATOM 337 N LEU A 22 8.326 22.565 -1.898 1.00 0.00 N ATOM 338 CA LEU A 22 8.655 22.172 -0.523 1.00 0.00 C ATOM 339 C LEU A 22 7.626 21.164 0.002 1.00 0.00 C ATOM 340 O LEU A 22 6.425 21.448 0.006 1.00 0.00 O ATOM 341 CB LEU A 22 8.699 23.434 0.381 1.00 0.00 C ATOM 342 CG LEU A 22 9.956 23.616 1.251 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.286 22.378 2.099 1.00 0.00 C ATOM 344 CD2 LEU A 22 11.139 24.015 0.364 1.00 0.00 C ATOM 0 H LEU A 22 7.634 23.313 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 22 9.635 21.694 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.595 24.313 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.830 23.412 1.039 1.00 0.00 H new ATOM 0 HG LEU A 22 9.751 24.414 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.182 22.570 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.452 22.161 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.459 21.524 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.029 24.144 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.319 23.234 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.912 24.951 -0.146 1.00 0.00 H new ATOM 356 N PHE A 23 8.086 20.021 0.508 1.00 0.00 N ATOM 357 CA PHE A 23 7.247 19.070 1.240 1.00 0.00 C ATOM 358 C PHE A 23 7.679 19.045 2.708 1.00 0.00 C ATOM 359 O PHE A 23 8.851 18.824 3.008 1.00 0.00 O ATOM 360 CB PHE A 23 7.335 17.700 0.559 1.00 0.00 C ATOM 361 CG PHE A 23 6.621 17.664 -0.780 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.226 17.477 -0.822 1.00 0.00 C ATOM 363 CD2 PHE A 23 7.337 17.810 -1.982 1.00 0.00 C ATOM 364 CE1 PHE A 23 4.554 17.407 -2.058 1.00 0.00 C ATOM 365 CE2 PHE A 23 6.665 17.743 -3.216 1.00 0.00 C ATOM 366 CZ PHE A 23 5.274 17.541 -3.256 1.00 0.00 C ATOM 0 H PHE A 23 9.058 19.725 0.422 1.00 0.00 H new ATOM 0 HA PHE A 23 6.199 19.370 1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.383 17.437 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.905 16.944 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.668 17.387 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.404 17.974 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.486 17.250 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.220 17.847 -4.137 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.761 17.489 -4.205 1.00 0.00 H new ATOM 376 N MET A 24 6.732 19.294 3.616 1.00 0.00 N ATOM 377 CA MET A 24 6.955 19.522 5.058 1.00 0.00 C ATOM 378 C MET A 24 5.634 19.402 5.830 1.00 0.00 C ATOM 379 O MET A 24 4.597 19.158 5.228 1.00 0.00 O ATOM 380 CB MET A 24 7.650 20.891 5.258 1.00 0.00 C ATOM 381 CG MET A 24 6.792 22.099 4.863 1.00 0.00 C ATOM 382 SD MET A 24 7.716 23.655 4.912 1.00 0.00 S ATOM 383 CE MET A 24 6.306 24.782 4.951 1.00 0.00 C ATOM 0 H MET A 24 5.745 19.346 3.362 1.00 0.00 H new ATOM 0 HA MET A 24 7.617 18.756 5.463 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.936 20.990 6.305 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.570 20.907 4.673 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.397 21.947 3.858 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.936 22.167 5.535 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.664 25.811 4.984 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.699 24.637 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.703 24.579 5.836 1.00 0.00 H new ATOM 393 N LYS A 25 5.617 19.618 7.145 1.00 0.00 N ATOM 394 CA LYS A 25 4.394 19.568 7.975 1.00 0.00 C ATOM 395 C LYS A 25 3.591 20.897 7.958 1.00 0.00 C ATOM 396 O LYS A 25 3.093 21.356 8.988 1.00 0.00 O ATOM 397 CB LYS A 25 4.779 19.094 9.394 1.00 0.00 C ATOM 398 CG LYS A 25 5.361 17.669 9.393 1.00 0.00 C ATOM 399 CD LYS A 25 5.557 17.103 10.808 1.00 0.00 C ATOM 400 CE LYS A 25 6.621 17.876 11.604 1.00 0.00 C ATOM 401 NZ LYS A 25 6.828 17.290 12.957 1.00 0.00 N ATOM 0 H LYS A 25 6.458 19.836 7.679 1.00 0.00 H new ATOM 0 HA LYS A 25 3.701 18.845 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.509 19.782 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.899 19.125 10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.697 17.011 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.319 17.673 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.609 17.137 11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.848 16.055 10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.563 17.868 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.317 18.918 11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.552 17.837 13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.935 17.320 13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.142 16.303 12.863 1.00 0.00 H new ATOM 415 N GLY A 26 3.524 21.562 6.798 1.00 0.00 N ATOM 416 CA GLY A 26 2.884 22.876 6.604 1.00 0.00 C ATOM 417 C GLY A 26 2.812 23.306 5.135 1.00 0.00 C ATOM 418 O GLY A 26 3.547 22.775 4.301 1.00 0.00 O ATOM 0 H GLY A 26 3.926 21.190 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.875 22.845 7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.436 23.628 7.168 1.00 0.00 H new ATOM 422 N THR A 27 1.924 24.253 4.825 1.00 0.00 N ATOM 423 CA THR A 27 1.697 24.802 3.474 1.00 0.00 C ATOM 424 C THR A 27 2.469 26.109 3.271 1.00 0.00 C ATOM 425 O THR A 27 3.151 26.591 4.171 1.00 0.00 O ATOM 426 CB THR A 27 0.195 25.007 3.218 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.296 25.936 4.153 1.00 0.00 O ATOM 428 CG2 THR A 27 -0.609 23.717 3.365 1.00 0.00 C ATOM 0 H THR A 27 1.319 24.678 5.528 1.00 0.00 H new ATOM 0 HA THR A 27 2.072 24.079 2.749 1.00 0.00 H new ATOM 0 HB THR A 27 0.083 25.358 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.254 26.078 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.662 23.921 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.246 22.979 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.493 23.329 4.377 1.00 0.00 H new ATOM 436 N LYS A 28 2.339 26.717 2.089 1.00 0.00 N ATOM 437 CA LYS A 28 2.870 28.061 1.812 1.00 0.00 C ATOM 438 C LYS A 28 2.121 29.163 2.599 1.00 0.00 C ATOM 439 O LYS A 28 2.714 30.182 2.963 1.00 0.00 O ATOM 440 CB LYS A 28 2.811 28.274 0.289 1.00 0.00 C ATOM 441 CG LYS A 28 3.572 29.522 -0.183 1.00 0.00 C ATOM 442 CD LYS A 28 3.595 29.582 -1.716 1.00 0.00 C ATOM 443 CE LYS A 28 4.331 30.837 -2.201 1.00 0.00 C ATOM 444 NZ LYS A 28 4.336 30.930 -3.688 1.00 0.00 N ATOM 0 H LYS A 28 1.862 26.293 1.293 1.00 0.00 H new ATOM 0 HA LYS A 28 3.902 28.135 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.223 27.396 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.769 28.355 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.097 30.418 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.591 29.502 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.084 28.692 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.575 29.582 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.855 31.723 -1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.357 30.823 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.797 31.816 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.857 30.122 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.357 30.918 -4.040 1.00 0.00 H new ATOM 458 N ASP A 29 0.833 28.949 2.895 1.00 0.00 N ATOM 459 CA ASP A 29 -0.004 29.838 3.715 1.00 0.00 C ATOM 460 C ASP A 29 0.224 29.635 5.226 1.00 0.00 C ATOM 461 O ASP A 29 0.192 30.604 5.989 1.00 0.00 O ATOM 462 CB ASP A 29 -1.477 29.597 3.354 1.00 0.00 C ATOM 463 CG ASP A 29 -2.413 30.563 4.094 1.00 0.00 C ATOM 464 OD1 ASP A 29 -2.418 31.772 3.757 1.00 0.00 O ATOM 465 OD2 ASP A 29 -3.162 30.108 4.992 1.00 0.00 O ATOM 0 H ASP A 29 0.328 28.128 2.561 1.00 0.00 H new ATOM 0 HA ASP A 29 0.276 30.869 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.611 29.714 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.748 28.570 3.599 1.00 0.00 H new ATOM 470 N PHE A 30 0.500 28.395 5.649 1.00 0.00 N ATOM 471 CA PHE A 30 0.806 28.013 7.030 1.00 0.00 C ATOM 472 C PHE A 30 2.161 27.267 7.095 1.00 0.00 C ATOM 473 O PHE A 30 2.184 26.034 7.210 1.00 0.00 O ATOM 474 CB PHE A 30 -0.372 27.194 7.586 1.00 0.00 C ATOM 475 CG PHE A 30 -0.229 26.802 9.048 1.00 0.00 C ATOM 476 CD1 PHE A 30 -0.272 27.791 10.049 1.00 0.00 C ATOM 477 CD2 PHE A 30 -0.045 25.453 9.412 1.00 0.00 C ATOM 478 CE1 PHE A 30 -0.126 27.436 11.403 1.00 0.00 C ATOM 479 CE2 PHE A 30 0.105 25.098 10.765 1.00 0.00 C ATOM 480 CZ PHE A 30 0.062 26.090 11.762 1.00 0.00 C ATOM 0 H PHE A 30 0.516 27.599 5.011 1.00 0.00 H new ATOM 0 HA PHE A 30 0.922 28.894 7.661 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.289 27.771 7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.484 26.289 6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.418 28.826 9.777 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.019 24.689 8.649 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.158 28.199 12.167 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.253 24.064 11.039 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.173 25.818 12.801 1.00 0.00 H new ATOM 490 N PRO A 31 3.294 27.995 6.998 1.00 0.00 N ATOM 491 CA PRO A 31 4.633 27.413 7.062 1.00 0.00 C ATOM 492 C PRO A 31 5.009 27.018 8.498 1.00 0.00 C ATOM 493 O PRO A 31 4.311 27.356 9.455 1.00 0.00 O ATOM 494 CB PRO A 31 5.564 28.488 6.485 1.00 0.00 C ATOM 495 CG PRO A 31 4.866 29.787 6.882 1.00 0.00 C ATOM 496 CD PRO A 31 3.385 29.430 6.759 1.00 0.00 C ATOM 0 HA PRO A 31 4.704 26.485 6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.567 28.423 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.666 28.397 5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.125 30.091 7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.139 30.610 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.789 29.984 7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.003 29.685 5.770 1.00 0.00 H new ATOM 504 N GLN A 32 6.134 26.307 8.646 1.00 0.00 N ATOM 505 CA GLN A 32 6.675 25.889 9.944 1.00 0.00 C ATOM 506 C GLN A 32 8.014 26.587 10.215 1.00 0.00 C ATOM 507 O GLN A 32 8.875 26.657 9.334 1.00 0.00 O ATOM 508 CB GLN A 32 6.845 24.355 9.969 1.00 0.00 C ATOM 509 CG GLN A 32 5.511 23.583 9.929 1.00 0.00 C ATOM 510 CD GLN A 32 4.630 23.748 11.179 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.964 24.418 12.151 1.00 0.00 O ATOM 512 NE2 GLN A 32 3.471 23.124 11.212 1.00 0.00 N ATOM 0 H GLN A 32 6.702 26.002 7.855 1.00 0.00 H new ATOM 0 HA GLN A 32 5.977 26.177 10.730 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.456 24.052 9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.391 24.073 10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.944 23.910 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.725 22.523 9.790 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.172 22.561 10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.872 23.204 12.034 1.00 0.00 H new ATOM 521 N CYS A 33 8.207 27.073 11.447 1.00 0.00 N ATOM 522 CA CYS A 33 9.432 27.746 11.892 1.00 0.00 C ATOM 523 C CYS A 33 10.620 26.766 12.040 1.00 0.00 C ATOM 524 O CYS A 33 10.434 25.560 12.233 1.00 0.00 O ATOM 525 CB CYS A 33 9.108 28.500 13.193 1.00 0.00 C ATOM 526 SG CYS A 33 10.423 29.695 13.577 1.00 0.00 S ATOM 0 H CYS A 33 7.499 27.007 12.179 1.00 0.00 H new ATOM 0 HA CYS A 33 9.761 28.459 11.136 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.155 29.019 13.092 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.000 27.792 14.014 1.00 0.00 H new ATOM 0 HG CYS A 33 10.131 30.323 14.677 1.00 0.00 H new ATOM 532 N GLY A 34 11.846 27.295 11.955 1.00 0.00 N ATOM 533 CA GLY A 34 13.102 26.532 11.934 1.00 0.00 C ATOM 534 C GLY A 34 13.616 26.324 10.510 1.00 0.00 C ATOM 535 O GLY A 34 13.382 27.158 9.635 1.00 0.00 O ATOM 0 H GLY A 34 11.998 28.302 11.897 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.856 27.058 12.520 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.947 25.564 12.410 1.00 0.00 H new ATOM 539 N PHE A 35 14.312 25.210 10.266 1.00 0.00 N ATOM 540 CA PHE A 35 15.015 24.936 9.001 1.00 0.00 C ATOM 541 C PHE A 35 14.102 24.957 7.763 1.00 0.00 C ATOM 542 O PHE A 35 14.537 25.359 6.688 1.00 0.00 O ATOM 543 CB PHE A 35 15.770 23.603 9.128 1.00 0.00 C ATOM 544 CG PHE A 35 16.784 23.560 10.258 1.00 0.00 C ATOM 545 CD1 PHE A 35 18.014 24.233 10.121 1.00 0.00 C ATOM 546 CD2 PHE A 35 16.508 22.849 11.443 1.00 0.00 C ATOM 547 CE1 PHE A 35 18.958 24.200 11.163 1.00 0.00 C ATOM 548 CE2 PHE A 35 17.452 22.820 12.485 1.00 0.00 C ATOM 549 CZ PHE A 35 18.677 23.494 12.346 1.00 0.00 C ATOM 0 H PHE A 35 14.407 24.459 10.950 1.00 0.00 H new ATOM 0 HA PHE A 35 15.721 25.749 8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.046 22.802 9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.283 23.399 8.188 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.233 24.776 9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.570 22.325 11.551 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.900 24.717 11.054 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.235 22.279 13.394 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.402 23.470 13.147 1.00 0.00 H new ATOM 559 N SER A 36 12.823 24.602 7.907 1.00 0.00 N ATOM 560 CA SER A 36 11.771 24.770 6.886 1.00 0.00 C ATOM 561 C SER A 36 11.639 26.240 6.442 1.00 0.00 C ATOM 562 O SER A 36 11.783 26.553 5.257 1.00 0.00 O ATOM 563 CB SER A 36 10.442 24.230 7.451 1.00 0.00 C ATOM 564 OG SER A 36 10.311 24.493 8.843 1.00 0.00 O ATOM 0 H SER A 36 12.473 24.175 8.765 1.00 0.00 H new ATOM 0 HA SER A 36 12.042 24.204 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.609 24.685 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.384 23.155 7.278 1.00 0.00 H new ATOM 0 HG SER A 36 9.945 25.393 8.973 1.00 0.00 H new ATOM 570 N GLN A 37 11.462 27.168 7.392 1.00 0.00 N ATOM 571 CA GLN A 37 11.433 28.605 7.105 1.00 0.00 C ATOM 572 C GLN A 37 12.759 29.059 6.480 1.00 0.00 C ATOM 573 O GLN A 37 12.738 29.802 5.500 1.00 0.00 O ATOM 574 CB GLN A 37 11.103 29.386 8.391 1.00 0.00 C ATOM 575 CG GLN A 37 10.830 30.881 8.149 1.00 0.00 C ATOM 576 CD GLN A 37 9.538 31.127 7.366 1.00 0.00 C ATOM 577 OE1 GLN A 37 9.524 31.244 6.148 1.00 0.00 O ATOM 578 NE2 GLN A 37 8.399 31.185 8.025 1.00 0.00 N ATOM 0 H GLN A 37 11.335 26.942 8.379 1.00 0.00 H new ATOM 0 HA GLN A 37 10.650 28.813 6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.230 28.938 8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.933 29.285 9.091 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.772 31.395 9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.668 31.316 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.392 31.089 9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.524 31.325 7.520 1.00 0.00 H new ATOM 587 N THR A 38 13.905 28.552 6.963 1.00 0.00 N ATOM 588 CA THR A 38 15.227 28.842 6.396 1.00 0.00 C ATOM 589 C THR A 38 15.303 28.433 4.931 1.00 0.00 C ATOM 590 O THR A 38 15.660 29.270 4.107 1.00 0.00 O ATOM 591 CB THR A 38 16.337 28.185 7.231 1.00 0.00 C ATOM 592 OG1 THR A 38 16.118 28.474 8.594 1.00 0.00 O ATOM 593 CG2 THR A 38 17.704 28.744 6.857 1.00 0.00 C ATOM 0 H THR A 38 13.937 27.924 7.766 1.00 0.00 H new ATOM 0 HA THR A 38 15.382 29.920 6.435 1.00 0.00 H new ATOM 0 HB THR A 38 16.316 27.112 7.040 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.821 28.057 9.134 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.472 28.263 7.462 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.900 28.551 5.802 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.720 29.819 7.039 1.00 0.00 H new ATOM 601 N VAL A 39 14.911 27.208 4.565 1.00 0.00 N ATOM 602 CA VAL A 39 14.931 26.790 3.143 1.00 0.00 C ATOM 603 C VAL A 39 13.908 27.553 2.292 1.00 0.00 C ATOM 604 O VAL A 39 14.224 27.888 1.150 1.00 0.00 O ATOM 605 CB VAL A 39 14.811 25.275 2.889 1.00 0.00 C ATOM 606 CG1 VAL A 39 16.035 24.547 3.452 1.00 0.00 C ATOM 607 CG2 VAL A 39 13.521 24.632 3.407 1.00 0.00 C ATOM 0 H VAL A 39 14.580 26.494 5.214 1.00 0.00 H new ATOM 0 HA VAL A 39 15.938 27.061 2.825 1.00 0.00 H new ATOM 0 HB VAL A 39 14.768 25.165 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.939 23.477 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 39 16.936 24.920 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.102 24.725 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.530 23.566 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.451 24.774 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.662 25.098 2.924 1.00 0.00 H new ATOM 617 N VAL A 40 12.728 27.888 2.832 1.00 0.00 N ATOM 618 CA VAL A 40 11.757 28.758 2.139 1.00 0.00 C ATOM 619 C VAL A 40 12.364 30.145 1.850 1.00 0.00 C ATOM 620 O VAL A 40 12.291 30.616 0.715 1.00 0.00 O ATOM 621 CB VAL A 40 10.427 28.859 2.931 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.527 30.011 2.454 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.640 27.542 2.799 1.00 0.00 C ATOM 0 H VAL A 40 12.418 27.570 3.750 1.00 0.00 H new ATOM 0 HA VAL A 40 11.521 28.302 1.177 1.00 0.00 H new ATOM 0 HB VAL A 40 10.700 29.055 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.613 30.028 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.054 30.958 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.275 29.865 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.707 27.618 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.420 27.353 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.235 26.721 3.198 1.00 0.00 H new ATOM 633 N GLN A 41 13.009 30.779 2.834 1.00 0.00 N ATOM 634 CA GLN A 41 13.692 32.068 2.667 1.00 0.00 C ATOM 635 C GLN A 41 14.890 31.974 1.707 1.00 0.00 C ATOM 636 O GLN A 41 15.060 32.861 0.872 1.00 0.00 O ATOM 637 CB GLN A 41 14.127 32.598 4.048 1.00 0.00 C ATOM 638 CG GLN A 41 12.942 33.078 4.911 1.00 0.00 C ATOM 639 CD GLN A 41 12.322 34.376 4.391 1.00 0.00 C ATOM 640 OE1 GLN A 41 11.371 34.378 3.616 1.00 0.00 O ATOM 641 NE2 GLN A 41 12.850 35.529 4.759 1.00 0.00 N ATOM 0 H GLN A 41 13.073 30.408 3.782 1.00 0.00 H new ATOM 0 HA GLN A 41 12.991 32.769 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.662 31.812 4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.826 33.423 3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.179 32.300 4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.281 33.227 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.641 35.545 5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.467 36.403 4.400 1.00 0.00 H new ATOM 650 N ILE A 42 15.675 30.890 1.762 1.00 0.00 N ATOM 651 CA ILE A 42 16.802 30.625 0.848 1.00 0.00 C ATOM 652 C ILE A 42 16.363 30.624 -0.618 1.00 0.00 C ATOM 653 O ILE A 42 16.977 31.319 -1.422 1.00 0.00 O ATOM 654 CB ILE A 42 17.510 29.306 1.265 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.481 29.599 2.436 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.231 28.590 0.109 1.00 0.00 C ATOM 657 CD1 ILE A 42 19.043 28.345 3.118 1.00 0.00 C ATOM 0 H ILE A 42 15.544 30.155 2.457 1.00 0.00 H new ATOM 0 HA ILE A 42 17.524 31.437 0.933 1.00 0.00 H new ATOM 0 HB ILE A 42 16.734 28.611 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.311 30.199 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.962 30.202 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.700 27.679 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.510 28.336 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.995 29.247 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.713 28.639 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.223 27.753 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.593 27.750 2.389 1.00 0.00 H new ATOM 669 N LEU A 43 15.299 29.899 -0.977 1.00 0.00 N ATOM 670 CA LEU A 43 14.805 29.819 -2.359 1.00 0.00 C ATOM 671 C LEU A 43 14.346 31.197 -2.862 1.00 0.00 C ATOM 672 O LEU A 43 14.815 31.684 -3.898 1.00 0.00 O ATOM 673 CB LEU A 43 13.661 28.787 -2.408 1.00 0.00 C ATOM 674 CG LEU A 43 14.121 27.330 -2.187 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.887 26.454 -1.938 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.940 26.812 -3.379 1.00 0.00 C ATOM 0 H LEU A 43 14.752 29.348 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 43 15.609 29.498 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.922 29.043 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.163 28.857 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 43 14.776 27.289 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.199 25.422 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.359 26.812 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.224 26.505 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.248 25.784 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.331 26.848 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.824 27.436 -3.512 1.00 0.00 H new ATOM 688 N LYS A 44 13.488 31.857 -2.073 1.00 0.00 N ATOM 689 CA LYS A 44 13.037 33.227 -2.337 1.00 0.00 C ATOM 690 C LYS A 44 14.242 34.133 -2.629 1.00 0.00 C ATOM 691 O LYS A 44 14.327 34.681 -3.729 1.00 0.00 O ATOM 692 CB LYS A 44 12.219 33.745 -1.137 1.00 0.00 C ATOM 693 CG LYS A 44 10.837 33.081 -1.032 1.00 0.00 C ATOM 694 CD LYS A 44 10.147 33.391 0.305 1.00 0.00 C ATOM 695 CE LYS A 44 9.853 34.888 0.488 1.00 0.00 C ATOM 696 NZ LYS A 44 9.269 35.175 1.827 1.00 0.00 N ATOM 0 H LYS A 44 13.085 31.451 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 44 12.394 33.237 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.776 33.564 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.094 34.824 -1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.207 33.424 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.944 32.002 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.213 32.832 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.779 33.046 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.774 35.458 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.164 35.221 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.068 36.192 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.386 34.638 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.944 34.896 2.567 1.00 0.00 H new ATOM 710 N SER A 45 15.190 34.194 -1.685 1.00 0.00 N ATOM 711 CA SER A 45 16.387 35.052 -1.690 1.00 0.00 C ATOM 712 C SER A 45 17.405 34.727 -2.801 1.00 0.00 C ATOM 713 O SER A 45 18.015 35.648 -3.357 1.00 0.00 O ATOM 714 CB SER A 45 17.066 34.952 -0.314 1.00 0.00 C ATOM 715 OG SER A 45 18.096 35.917 -0.161 1.00 0.00 O ATOM 0 H SER A 45 15.141 33.613 -0.848 1.00 0.00 H new ATOM 0 HA SER A 45 16.046 36.066 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.321 35.089 0.469 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.483 33.953 -0.186 1.00 0.00 H new ATOM 0 HG SER A 45 18.503 35.824 0.726 1.00 0.00 H new ATOM 721 N LEU A 46 17.554 33.448 -3.190 1.00 0.00 N ATOM 722 CA LEU A 46 18.324 33.045 -4.374 1.00 0.00 C ATOM 723 C LEU A 46 17.751 33.681 -5.650 1.00 0.00 C ATOM 724 O LEU A 46 18.507 33.904 -6.596 1.00 0.00 O ATOM 725 CB LEU A 46 18.349 31.507 -4.499 1.00 0.00 C ATOM 726 CG LEU A 46 19.400 30.793 -3.626 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.217 29.277 -3.782 1.00 0.00 C ATOM 728 CD2 LEU A 46 20.829 31.172 -4.039 1.00 0.00 C ATOM 0 H LEU A 46 17.140 32.663 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 46 19.346 33.403 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.363 31.122 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 46 18.529 31.246 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 46 19.256 31.100 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.954 28.757 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.214 28.996 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.353 29.000 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 46 21.543 30.650 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.995 30.888 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 46 20.966 32.248 -3.931 1.00 0.00 H new ATOM 740 N ASN A 47 16.441 33.959 -5.643 1.00 0.00 N ATOM 741 CA ASN A 47 15.635 34.746 -6.594 1.00 0.00 C ATOM 742 C ASN A 47 14.691 33.815 -7.362 1.00 0.00 C ATOM 743 O ASN A 47 14.763 33.707 -8.591 1.00 0.00 O ATOM 744 CB ASN A 47 16.446 35.704 -7.500 1.00 0.00 C ATOM 745 CG ASN A 47 15.572 36.702 -8.262 1.00 0.00 C ATOM 746 OD1 ASN A 47 14.390 36.889 -7.983 1.00 0.00 O ATOM 747 ND2 ASN A 47 16.134 37.380 -9.248 1.00 0.00 N ATOM 0 H ASN A 47 15.854 33.600 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 47 15.032 35.440 -6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 47 17.162 36.252 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.022 35.116 -8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.586 38.059 -9.777 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.115 37.225 -9.479 1.00 0.00 H new ATOM 754 N ALA A 48 13.844 33.083 -6.621 1.00 0.00 N ATOM 755 CA ALA A 48 13.046 31.994 -7.210 1.00 0.00 C ATOM 756 C ALA A 48 11.618 31.847 -6.635 1.00 0.00 C ATOM 757 O ALA A 48 11.435 32.004 -5.420 1.00 0.00 O ATOM 758 CB ALA A 48 13.831 30.679 -7.062 1.00 0.00 C ATOM 0 H ALA A 48 13.694 33.223 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 48 12.891 32.248 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.254 29.861 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.785 30.764 -7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.010 30.479 -6.006 1.00 0.00 H new ATOM 764 N PRO A 49 10.619 31.508 -7.483 1.00 0.00 N ATOM 765 CA PRO A 49 9.277 31.124 -7.056 1.00 0.00 C ATOM 766 C PRO A 49 9.263 29.666 -6.572 1.00 0.00 C ATOM 767 O PRO A 49 10.166 28.881 -6.877 1.00 0.00 O ATOM 768 CB PRO A 49 8.393 31.311 -8.291 1.00 0.00 C ATOM 769 CG PRO A 49 9.337 30.945 -9.435 1.00 0.00 C ATOM 770 CD PRO A 49 10.687 31.468 -8.945 1.00 0.00 C ATOM 0 HA PRO A 49 8.922 31.725 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.517 30.662 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.029 32.335 -8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.360 29.870 -9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.038 31.415 -10.372 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.497 30.818 -9.277 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.888 32.460 -9.350 1.00 0.00 H new ATOM 778 N PHE A 50 8.215 29.302 -5.828 1.00 0.00 N ATOM 779 CA PHE A 50 8.095 28.007 -5.147 1.00 0.00 C ATOM 780 C PHE A 50 6.649 27.708 -4.712 1.00 0.00 C ATOM 781 O PHE A 50 5.799 28.602 -4.668 1.00 0.00 O ATOM 782 CB PHE A 50 9.054 27.977 -3.934 1.00 0.00 C ATOM 783 CG PHE A 50 8.598 28.833 -2.763 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.691 30.237 -2.827 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.017 28.229 -1.630 1.00 0.00 C ATOM 786 CE1 PHE A 50 8.168 31.030 -1.790 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.512 29.023 -0.585 1.00 0.00 C ATOM 788 CZ PHE A 50 7.578 30.423 -0.668 1.00 0.00 C ATOM 0 H PHE A 50 7.410 29.910 -5.678 1.00 0.00 H new ATOM 0 HA PHE A 50 8.373 27.224 -5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.164 26.946 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.040 28.314 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.166 30.706 -3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.959 27.153 -1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.220 32.107 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.072 28.555 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.176 31.032 0.128 1.00 0.00 H new ATOM 798 N GLU A 51 6.394 26.452 -4.355 1.00 0.00 N ATOM 799 CA GLU A 51 5.167 25.981 -3.704 1.00 0.00 C ATOM 800 C GLU A 51 5.555 25.291 -2.388 1.00 0.00 C ATOM 801 O GLU A 51 6.712 24.927 -2.180 1.00 0.00 O ATOM 802 CB GLU A 51 4.400 25.049 -4.663 1.00 0.00 C ATOM 803 CG GLU A 51 3.092 24.439 -4.139 1.00 0.00 C ATOM 804 CD GLU A 51 2.065 25.494 -3.692 1.00 0.00 C ATOM 805 OE1 GLU A 51 2.232 26.069 -2.590 1.00 0.00 O ATOM 806 OE2 GLU A 51 1.075 25.723 -4.426 1.00 0.00 O ATOM 0 H GLU A 51 7.063 25.700 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 51 4.498 26.809 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.174 25.608 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.065 24.233 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.650 23.819 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.317 23.782 -3.299 1.00 0.00 H new ATOM 813 N SER A 52 4.624 25.102 -1.462 1.00 0.00 N ATOM 814 CA SER A 52 4.858 24.327 -0.236 1.00 0.00 C ATOM 815 C SER A 52 3.606 23.543 0.181 1.00 0.00 C ATOM 816 O SER A 52 2.517 24.108 0.273 1.00 0.00 O ATOM 817 CB SER A 52 5.350 25.238 0.896 1.00 0.00 C ATOM 818 OG SER A 52 6.569 25.864 0.539 1.00 0.00 O ATOM 0 H SER A 52 3.680 25.481 -1.534 1.00 0.00 H new ATOM 0 HA SER A 52 5.640 23.597 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.597 25.995 1.114 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.488 24.654 1.806 1.00 0.00 H new ATOM 0 HG SER A 52 6.861 25.535 -0.337 1.00 0.00 H new ATOM 824 N VAL A 53 3.763 22.235 0.417 1.00 0.00 N ATOM 825 CA VAL A 53 2.660 21.278 0.620 1.00 0.00 C ATOM 826 C VAL A 53 2.796 20.592 1.983 1.00 0.00 C ATOM 827 O VAL A 53 3.862 20.068 2.313 1.00 0.00 O ATOM 828 CB VAL A 53 2.647 20.219 -0.512 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.520 19.189 -0.334 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.507 20.865 -1.903 1.00 0.00 C ATOM 0 H VAL A 53 4.683 21.798 0.474 1.00 0.00 H new ATOM 0 HA VAL A 53 1.718 21.826 0.595 1.00 0.00 H new ATOM 0 HB VAL A 53 3.608 19.709 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.553 18.469 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.650 18.668 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.557 19.699 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.502 20.087 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.574 21.426 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.346 21.539 -2.077 1.00 0.00 H new ATOM 840 N ASN A 54 1.699 20.560 2.749 1.00 0.00 N ATOM 841 CA ASN A 54 1.632 19.839 4.020 1.00 0.00 C ATOM 842 C ASN A 54 1.509 18.323 3.784 1.00 0.00 C ATOM 843 O ASN A 54 0.452 17.846 3.374 1.00 0.00 O ATOM 844 CB ASN A 54 0.468 20.372 4.879 1.00 0.00 C ATOM 845 CG ASN A 54 0.350 19.666 6.229 1.00 0.00 C ATOM 846 OD1 ASN A 54 1.230 18.928 6.655 1.00 0.00 O ATOM 847 ND2 ASN A 54 -0.743 19.864 6.939 1.00 0.00 N ATOM 0 H ASN A 54 0.831 21.036 2.501 1.00 0.00 H new ATOM 0 HA ASN A 54 2.559 20.011 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.606 21.440 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.466 20.252 4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.855 19.403 7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.477 20.478 6.585 1.00 0.00 H new ATOM 854 N ILE A 55 2.555 17.543 4.092 1.00 0.00 N ATOM 855 CA ILE A 55 2.551 16.076 3.892 1.00 0.00 C ATOM 856 C ILE A 55 1.464 15.353 4.700 1.00 0.00 C ATOM 857 O ILE A 55 0.948 14.339 4.246 1.00 0.00 O ATOM 858 CB ILE A 55 3.941 15.449 4.155 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.538 15.764 5.545 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.922 15.889 3.056 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.352 14.596 6.108 1.00 0.00 C ATOM 0 H ILE A 55 3.425 17.903 4.485 1.00 0.00 H new ATOM 0 HA ILE A 55 2.307 15.931 2.840 1.00 0.00 H new ATOM 0 HB ILE A 55 3.789 14.370 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.175 16.646 5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.732 16.009 6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.900 15.446 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.553 15.558 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.009 16.976 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.750 14.868 7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.711 13.720 6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.176 14.367 5.432 1.00 0.00 H new ATOM 873 N LEU A 56 1.077 15.889 5.864 1.00 0.00 N ATOM 874 CA LEU A 56 0.099 15.283 6.780 1.00 0.00 C ATOM 875 C LEU A 56 -1.359 15.672 6.457 1.00 0.00 C ATOM 876 O LEU A 56 -2.258 15.349 7.235 1.00 0.00 O ATOM 877 CB LEU A 56 0.492 15.649 8.229 1.00 0.00 C ATOM 878 CG LEU A 56 1.866 15.128 8.704 1.00 0.00 C ATOM 879 CD1 LEU A 56 2.088 15.527 10.167 1.00 0.00 C ATOM 880 CD2 LEU A 56 2.020 13.609 8.554 1.00 0.00 C ATOM 0 H LEU A 56 1.443 16.778 6.205 1.00 0.00 H new ATOM 0 HA LEU A 56 0.130 14.201 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.483 16.735 8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.274 15.264 8.902 1.00 0.00 H new ATOM 0 HG LEU A 56 2.619 15.586 8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.058 15.159 10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.062 16.613 10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.302 15.093 10.786 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.007 13.307 8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.255 13.106 9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.908 13.334 7.505 1.00 0.00 H new ATOM 892 N GLU A 57 -1.613 16.351 5.328 1.00 0.00 N ATOM 893 CA GLU A 57 -2.956 16.773 4.909 1.00 0.00 C ATOM 894 C GLU A 57 -3.917 15.587 4.670 1.00 0.00 C ATOM 895 O GLU A 57 -5.120 15.715 4.913 1.00 0.00 O ATOM 896 CB GLU A 57 -2.825 17.646 3.647 1.00 0.00 C ATOM 897 CG GLU A 57 -4.145 18.291 3.209 1.00 0.00 C ATOM 898 CD GLU A 57 -3.924 19.257 2.035 1.00 0.00 C ATOM 899 OE1 GLU A 57 -3.637 20.452 2.282 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.055 18.832 0.863 1.00 0.00 O ATOM 0 H GLU A 57 -0.881 16.625 4.673 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.401 17.348 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.091 18.430 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.440 17.035 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.854 17.516 2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.587 18.828 4.048 1.00 0.00 H new ATOM 907 N ASN A 58 -3.400 14.428 4.235 1.00 0.00 N ATOM 908 CA ASN A 58 -4.188 13.209 3.997 1.00 0.00 C ATOM 909 C ASN A 58 -3.310 11.934 4.079 1.00 0.00 C ATOM 910 O ASN A 58 -2.105 11.988 3.839 1.00 0.00 O ATOM 911 CB ASN A 58 -4.942 13.355 2.652 1.00 0.00 C ATOM 912 CG ASN A 58 -6.151 12.430 2.498 1.00 0.00 C ATOM 913 OD1 ASN A 58 -6.407 11.543 3.302 1.00 0.00 O ATOM 914 ND2 ASN A 58 -6.937 12.616 1.454 1.00 0.00 N ATOM 0 H ASN A 58 -2.407 14.309 4.036 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.930 13.088 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.275 14.388 2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.245 13.160 1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.755 12.022 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.727 13.354 0.782 1.00 0.00 H new ATOM 921 N GLU A 59 -3.905 10.781 4.402 1.00 0.00 N ATOM 922 CA GLU A 59 -3.194 9.532 4.727 1.00 0.00 C ATOM 923 C GLU A 59 -2.408 8.938 3.548 1.00 0.00 C ATOM 924 O GLU A 59 -1.333 8.372 3.757 1.00 0.00 O ATOM 925 CB GLU A 59 -4.185 8.491 5.270 1.00 0.00 C ATOM 926 CG GLU A 59 -4.800 8.899 6.614 1.00 0.00 C ATOM 927 CD GLU A 59 -5.715 7.793 7.156 1.00 0.00 C ATOM 928 OE1 GLU A 59 -6.930 7.796 6.844 1.00 0.00 O ATOM 929 OE2 GLU A 59 -5.224 6.913 7.903 1.00 0.00 O ATOM 0 H GLU A 59 -4.919 10.684 4.447 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.457 9.791 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.982 8.341 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.674 7.535 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.008 9.106 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.369 9.821 6.493 1.00 0.00 H new ATOM 936 N LEU A 60 -2.900 9.078 2.309 1.00 0.00 N ATOM 937 CA LEU A 60 -2.183 8.624 1.108 1.00 0.00 C ATOM 938 C LEU A 60 -0.953 9.486 0.771 1.00 0.00 C ATOM 939 O LEU A 60 0.039 8.961 0.277 1.00 0.00 O ATOM 940 CB LEU A 60 -3.147 8.457 -0.091 1.00 0.00 C ATOM 941 CG LEU A 60 -3.609 9.727 -0.844 1.00 0.00 C ATOM 942 CD1 LEU A 60 -4.345 9.312 -2.125 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.527 10.622 -0.003 1.00 0.00 C ATOM 0 H LEU A 60 -3.804 9.508 2.111 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.779 7.638 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.667 7.798 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.038 7.941 0.268 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.716 10.308 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.673 10.203 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.673 8.734 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.212 8.704 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.817 11.496 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.419 10.063 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.999 10.944 0.895 1.00 0.00 H new ATOM 955 N LEU A 61 -0.983 10.790 1.074 1.00 0.00 N ATOM 956 CA LEU A 61 0.108 11.727 0.762 1.00 0.00 C ATOM 957 C LEU A 61 1.362 11.406 1.590 1.00 0.00 C ATOM 958 O LEU A 61 2.417 11.152 1.013 1.00 0.00 O ATOM 959 CB LEU A 61 -0.415 13.165 0.966 1.00 0.00 C ATOM 960 CG LEU A 61 0.621 14.291 0.762 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.222 14.323 -0.650 1.00 0.00 C ATOM 962 CD2 LEU A 61 -0.056 15.639 1.040 1.00 0.00 C ATOM 0 H LEU A 61 -1.772 11.230 1.547 1.00 0.00 H new ATOM 0 HA LEU A 61 0.419 11.626 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.244 13.331 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.817 13.245 1.976 1.00 0.00 H new ATOM 0 HG LEU A 61 1.442 14.097 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.941 15.139 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.725 13.377 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.427 14.476 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.665 16.444 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.891 15.776 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.424 15.657 2.066 1.00 0.00 H new ATOM 974 N ARG A 62 1.237 11.351 2.923 1.00 0.00 N ATOM 975 CA ARG A 62 2.365 11.093 3.843 1.00 0.00 C ATOM 976 C ARG A 62 3.106 9.765 3.592 1.00 0.00 C ATOM 977 O ARG A 62 4.305 9.682 3.856 1.00 0.00 O ATOM 978 CB ARG A 62 1.911 11.220 5.316 1.00 0.00 C ATOM 979 CG ARG A 62 0.804 10.237 5.731 1.00 0.00 C ATOM 980 CD ARG A 62 0.349 10.418 7.185 1.00 0.00 C ATOM 981 NE ARG A 62 1.399 10.043 8.151 1.00 0.00 N ATOM 982 CZ ARG A 62 1.299 10.094 9.476 1.00 0.00 C ATOM 983 NH1 ARG A 62 0.204 10.509 10.079 1.00 0.00 N ATOM 984 NH2 ARG A 62 2.318 9.724 10.225 1.00 0.00 N ATOM 0 H ARG A 62 0.346 11.485 3.401 1.00 0.00 H new ATOM 0 HA ARG A 62 3.102 11.867 3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.775 11.068 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.559 12.237 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.053 10.365 5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.163 9.217 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.064 11.457 7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.539 9.812 7.364 1.00 0.00 H new ATOM 0 HE ARG A 62 2.285 9.714 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.602 10.804 9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.162 10.535 11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.181 9.400 9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.244 9.762 11.242 1.00 0.00 H new ATOM 998 N GLN A 63 2.412 8.737 3.082 1.00 0.00 N ATOM 999 CA GLN A 63 3.008 7.423 2.786 1.00 0.00 C ATOM 1000 C GLN A 63 3.467 7.278 1.322 1.00 0.00 C ATOM 1001 O GLN A 63 4.507 6.668 1.072 1.00 0.00 O ATOM 1002 CB GLN A 63 2.026 6.309 3.205 1.00 0.00 C ATOM 1003 CG GLN A 63 0.794 6.152 2.294 1.00 0.00 C ATOM 1004 CD GLN A 63 -0.164 5.084 2.815 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -0.047 3.909 2.494 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -1.130 5.455 3.632 1.00 0.00 N ATOM 0 H GLN A 63 1.418 8.792 2.862 1.00 0.00 H new ATOM 0 HA GLN A 63 3.922 7.329 3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.564 5.361 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.685 6.509 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.271 7.106 2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.118 5.890 1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.225 6.435 3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.782 4.762 3.998 1.00 0.00 H new ATOM 1015 N GLY A 64 2.719 7.823 0.351 1.00 0.00 N ATOM 1016 CA GLY A 64 2.964 7.610 -1.081 1.00 0.00 C ATOM 1017 C GLY A 64 4.034 8.530 -1.656 1.00 0.00 C ATOM 1018 O GLY A 64 4.784 8.111 -2.539 1.00 0.00 O ATOM 0 H GLY A 64 1.921 8.429 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.262 6.574 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.033 7.762 -1.628 1.00 0.00 H new ATOM 1022 N LEU A 65 4.152 9.757 -1.128 1.00 0.00 N ATOM 1023 CA LEU A 65 5.169 10.731 -1.541 1.00 0.00 C ATOM 1024 C LEU A 65 6.599 10.192 -1.359 1.00 0.00 C ATOM 1025 O LEU A 65 7.452 10.428 -2.209 1.00 0.00 O ATOM 1026 CB LEU A 65 4.942 12.021 -0.737 1.00 0.00 C ATOM 1027 CG LEU A 65 5.913 13.170 -1.080 1.00 0.00 C ATOM 1028 CD1 LEU A 65 5.713 13.730 -2.494 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.706 14.285 -0.058 1.00 0.00 C ATOM 0 H LEU A 65 3.535 10.104 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 65 5.067 10.933 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.921 12.363 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.031 11.792 0.325 1.00 0.00 H new ATOM 0 HG LEU A 65 6.927 12.773 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.427 14.534 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.871 12.937 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.699 14.117 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.382 15.111 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.675 14.637 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.912 13.905 0.942 1.00 0.00 H new ATOM 1041 N LYS A 66 6.843 9.424 -0.291 1.00 0.00 N ATOM 1042 CA LYS A 66 8.141 8.811 0.033 1.00 0.00 C ATOM 1043 C LYS A 66 8.728 8.004 -1.146 1.00 0.00 C ATOM 1044 O LYS A 66 9.860 8.250 -1.569 1.00 0.00 O ATOM 1045 CB LYS A 66 7.925 7.945 1.292 1.00 0.00 C ATOM 1046 CG LYS A 66 9.212 7.325 1.853 1.00 0.00 C ATOM 1047 CD LYS A 66 8.893 6.460 3.081 1.00 0.00 C ATOM 1048 CE LYS A 66 10.161 5.775 3.618 1.00 0.00 C ATOM 1049 NZ LYS A 66 9.871 4.931 4.811 1.00 0.00 N ATOM 0 H LYS A 66 6.121 9.204 0.395 1.00 0.00 H new ATOM 0 HA LYS A 66 8.885 9.584 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.462 8.557 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.223 7.146 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.696 6.718 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.914 8.112 2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.452 7.080 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.152 5.705 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.600 5.158 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.900 6.532 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.750 4.486 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.475 5.524 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.185 4.193 4.555 1.00 0.00 H new ATOM 1063 N GLU A 67 7.951 7.065 -1.701 1.00 0.00 N ATOM 1064 CA GLU A 67 8.374 6.254 -2.851 1.00 0.00 C ATOM 1065 C GLU A 67 8.193 6.979 -4.201 1.00 0.00 C ATOM 1066 O GLU A 67 8.910 6.672 -5.155 1.00 0.00 O ATOM 1067 CB GLU A 67 7.696 4.870 -2.831 1.00 0.00 C ATOM 1068 CG GLU A 67 6.174 4.871 -3.018 1.00 0.00 C ATOM 1069 CD GLU A 67 5.644 3.428 -3.076 1.00 0.00 C ATOM 1070 OE1 GLU A 67 5.318 2.858 -2.008 1.00 0.00 O ATOM 1071 OE2 GLU A 67 5.566 2.850 -4.187 1.00 0.00 O ATOM 0 H GLU A 67 7.013 6.846 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 67 9.448 6.097 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.139 4.258 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.926 4.387 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.700 5.407 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.914 5.399 -3.935 1.00 0.00 H new ATOM 1078 N TYR A 68 7.288 7.965 -4.292 1.00 0.00 N ATOM 1079 CA TYR A 68 7.127 8.817 -5.480 1.00 0.00 C ATOM 1080 C TYR A 68 8.346 9.730 -5.720 1.00 0.00 C ATOM 1081 O TYR A 68 8.857 9.776 -6.839 1.00 0.00 O ATOM 1082 CB TYR A 68 5.844 9.644 -5.333 1.00 0.00 C ATOM 1083 CG TYR A 68 5.574 10.626 -6.461 1.00 0.00 C ATOM 1084 CD1 TYR A 68 4.880 10.209 -7.613 1.00 0.00 C ATOM 1085 CD2 TYR A 68 5.996 11.965 -6.344 1.00 0.00 C ATOM 1086 CE1 TYR A 68 4.588 11.131 -8.641 1.00 0.00 C ATOM 1087 CE2 TYR A 68 5.703 12.892 -7.361 1.00 0.00 C ATOM 1088 CZ TYR A 68 4.997 12.480 -8.514 1.00 0.00 C ATOM 1089 OH TYR A 68 4.714 13.386 -9.490 1.00 0.00 O ATOM 0 H TYR A 68 6.642 8.195 -3.537 1.00 0.00 H new ATOM 0 HA TYR A 68 7.053 8.171 -6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.998 8.961 -5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.893 10.197 -4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.570 9.179 -7.710 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.547 12.281 -5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.054 10.808 -9.522 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.018 13.920 -7.260 1.00 0.00 H new ATOM 0 HH TYR A 68 5.069 14.263 -9.235 1.00 0.00 H new ATOM 1099 N SER A 69 8.833 10.447 -4.697 1.00 0.00 N ATOM 1100 CA SER A 69 10.012 11.311 -4.834 1.00 0.00 C ATOM 1101 C SER A 69 11.324 10.506 -4.821 1.00 0.00 C ATOM 1102 O SER A 69 12.164 10.718 -5.694 1.00 0.00 O ATOM 1103 CB SER A 69 10.032 12.421 -3.767 1.00 0.00 C ATOM 1104 OG SER A 69 10.293 11.948 -2.459 1.00 0.00 O ATOM 0 H SER A 69 8.426 10.445 -3.762 1.00 0.00 H new ATOM 0 HA SER A 69 9.936 11.791 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.790 13.157 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.071 12.936 -3.773 1.00 0.00 H new ATOM 0 HG SER A 69 10.660 12.676 -1.915 1.00 0.00 H new ATOM 1110 N SER A 70 11.457 9.576 -3.864 1.00 0.00 N ATOM 1111 CA SER A 70 12.482 8.535 -3.603 1.00 0.00 C ATOM 1112 C SER A 70 13.119 8.665 -2.206 1.00 0.00 C ATOM 1113 O SER A 70 13.608 7.670 -1.661 1.00 0.00 O ATOM 1114 CB SER A 70 13.623 8.453 -4.634 1.00 0.00 C ATOM 1115 OG SER A 70 13.144 8.270 -5.954 1.00 0.00 O ATOM 0 H SER A 70 10.740 9.525 -3.141 1.00 0.00 H new ATOM 0 HA SER A 70 11.901 7.616 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.216 9.366 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.286 7.628 -4.373 1.00 0.00 H new ATOM 0 HG SER A 70 12.819 9.125 -6.305 1.00 0.00 H new ATOM 1121 N TRP A 71 13.143 9.872 -1.616 1.00 0.00 N ATOM 1122 CA TRP A 71 13.827 10.124 -0.341 1.00 0.00 C ATOM 1123 C TRP A 71 13.012 9.600 0.870 1.00 0.00 C ATOM 1124 O TRP A 71 11.782 9.718 0.865 1.00 0.00 O ATOM 1125 CB TRP A 71 14.209 11.613 -0.228 1.00 0.00 C ATOM 1126 CG TRP A 71 15.533 11.866 0.430 1.00 0.00 C ATOM 1127 CD1 TRP A 71 16.708 11.323 0.033 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.862 12.683 1.599 1.00 0.00 C ATOM 1129 NE1 TRP A 71 17.729 11.733 0.866 1.00 0.00 N ATOM 1130 CE2 TRP A 71 17.262 12.562 1.861 1.00 0.00 C ATOM 1131 CE3 TRP A 71 15.124 13.500 2.479 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 17.887 13.200 2.941 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 15.738 14.153 3.564 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.116 14.001 3.800 1.00 0.00 C ATOM 0 H TRP A 71 12.690 10.697 -2.010 1.00 0.00 H new ATOM 0 HA TRP A 71 14.756 9.554 -0.324 1.00 0.00 H new ATOM 0 HB2 TRP A 71 14.225 12.048 -1.227 1.00 0.00 H new ATOM 0 HB3 TRP A 71 13.433 12.133 0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 71 16.829 10.664 -0.814 1.00 0.00 H new ATOM 0 HE1 TRP A 71 18.705 11.457 0.758 1.00 0.00 H new ATOM 0 HE3 TRP A 71 14.064 13.628 2.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 18.947 13.078 3.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 15.147 14.775 4.220 1.00 0.00 H new ATOM 0 HH2 TRP A 71 17.580 14.498 4.639 1.00 0.00 H new ATOM 1145 N PRO A 72 13.658 9.035 1.915 1.00 0.00 N ATOM 1146 CA PRO A 72 12.966 8.311 2.985 1.00 0.00 C ATOM 1147 C PRO A 72 12.334 9.175 4.090 1.00 0.00 C ATOM 1148 O PRO A 72 11.557 8.630 4.875 1.00 0.00 O ATOM 1149 CB PRO A 72 14.029 7.373 3.570 1.00 0.00 C ATOM 1150 CG PRO A 72 15.322 8.162 3.390 1.00 0.00 C ATOM 1151 CD PRO A 72 15.098 8.853 2.047 1.00 0.00 C ATOM 0 HA PRO A 72 12.101 7.802 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.836 7.149 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.061 6.420 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.476 8.880 4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.196 7.511 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.616 9.812 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.490 8.249 1.229 1.00 0.00 H new ATOM 1159 N THR A 73 12.653 10.477 4.187 1.00 0.00 N ATOM 1160 CA THR A 73 12.194 11.355 5.286 1.00 0.00 C ATOM 1161 C THR A 73 11.775 12.743 4.792 1.00 0.00 C ATOM 1162 O THR A 73 12.015 13.103 3.640 1.00 0.00 O ATOM 1163 CB THR A 73 13.240 11.477 6.409 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.429 12.037 5.907 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.573 10.137 7.067 1.00 0.00 C ATOM 0 H THR A 73 13.239 10.956 3.503 1.00 0.00 H new ATOM 0 HA THR A 73 11.310 10.871 5.701 1.00 0.00 H new ATOM 0 HB THR A 73 12.797 12.122 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.086 12.111 6.630 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.316 10.291 7.850 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.669 9.711 7.503 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.972 9.453 6.318 1.00 0.00 H new ATOM 1173 N PHE A 74 11.143 13.511 5.685 1.00 0.00 N ATOM 1174 CA PHE A 74 10.662 14.881 5.452 1.00 0.00 C ATOM 1175 C PHE A 74 10.982 15.788 6.666 1.00 0.00 C ATOM 1176 O PHE A 74 11.097 15.259 7.780 1.00 0.00 O ATOM 1177 CB PHE A 74 9.148 14.836 5.164 1.00 0.00 C ATOM 1178 CG PHE A 74 8.801 14.049 3.913 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.907 14.660 2.651 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.447 12.688 4.002 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.716 13.903 1.479 1.00 0.00 C ATOM 1182 CE2 PHE A 74 8.241 11.936 2.832 1.00 0.00 C ATOM 1183 CZ PHE A 74 8.393 12.537 1.570 1.00 0.00 C ATOM 0 H PHE A 74 10.943 13.184 6.630 1.00 0.00 H new ATOM 0 HA PHE A 74 11.174 15.309 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.635 14.393 6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.774 15.855 5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.136 15.713 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.334 12.222 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.817 14.371 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.965 10.894 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.262 11.951 0.672 1.00 0.00 H new ATOM 1193 N PRO A 75 11.089 17.130 6.515 1.00 0.00 N ATOM 1194 CA PRO A 75 10.970 17.921 5.284 1.00 0.00 C ATOM 1195 C PRO A 75 11.986 17.581 4.186 1.00 0.00 C ATOM 1196 O PRO A 75 13.064 17.059 4.469 1.00 0.00 O ATOM 1197 CB PRO A 75 11.156 19.378 5.718 1.00 0.00 C ATOM 1198 CG PRO A 75 10.697 19.389 7.170 1.00 0.00 C ATOM 1199 CD PRO A 75 11.198 18.033 7.657 1.00 0.00 C ATOM 0 HA PRO A 75 10.003 17.707 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.195 19.693 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.562 20.056 5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.134 20.214 7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.615 19.482 7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.229 18.100 8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.601 17.675 8.496 1.00 0.00 H new ATOM 1207 N GLN A 76 11.637 17.897 2.931 1.00 0.00 N ATOM 1208 CA GLN A 76 12.436 17.576 1.745 1.00 0.00 C ATOM 1209 C GLN A 76 12.048 18.476 0.560 1.00 0.00 C ATOM 1210 O GLN A 76 10.867 18.635 0.248 1.00 0.00 O ATOM 1211 CB GLN A 76 12.272 16.070 1.436 1.00 0.00 C ATOM 1212 CG GLN A 76 12.767 15.566 0.063 1.00 0.00 C ATOM 1213 CD GLN A 76 11.614 15.204 -0.886 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.509 14.090 -1.385 1.00 0.00 O ATOM 1215 NE2 GLN A 76 10.683 16.097 -1.153 1.00 0.00 N ATOM 0 H GLN A 76 10.774 18.393 2.710 1.00 0.00 H new ATOM 0 HA GLN A 76 13.491 17.774 1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.797 15.509 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.214 15.822 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.386 16.335 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.401 14.691 0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.744 17.033 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.901 15.853 -1.761 1.00 0.00 H new ATOM 1224 N LEU A 77 13.050 19.011 -0.147 1.00 0.00 N ATOM 1225 CA LEU A 77 12.878 19.727 -1.416 1.00 0.00 C ATOM 1226 C LEU A 77 12.680 18.748 -2.584 1.00 0.00 C ATOM 1227 O LEU A 77 13.366 17.728 -2.688 1.00 0.00 O ATOM 1228 CB LEU A 77 14.103 20.625 -1.694 1.00 0.00 C ATOM 1229 CG LEU A 77 14.065 22.034 -1.077 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.121 22.007 0.458 1.00 0.00 C ATOM 1231 CD2 LEU A 77 15.234 22.856 -1.636 1.00 0.00 C ATOM 0 H LEU A 77 14.023 18.957 0.153 1.00 0.00 H new ATOM 0 HA LEU A 77 11.986 20.347 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.993 20.114 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.216 20.726 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 77 13.114 22.493 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.091 23.027 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.267 21.450 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.044 21.525 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.215 23.856 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.176 22.369 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.143 22.927 -2.720 1.00 0.00 H new ATOM 1243 N TYR A 78 11.787 19.117 -3.503 1.00 0.00 N ATOM 1244 CA TYR A 78 11.507 18.427 -4.766 1.00 0.00 C ATOM 1245 C TYR A 78 11.493 19.455 -5.914 1.00 0.00 C ATOM 1246 O TYR A 78 10.898 20.527 -5.777 1.00 0.00 O ATOM 1247 CB TYR A 78 10.154 17.710 -4.617 1.00 0.00 C ATOM 1248 CG TYR A 78 9.860 16.609 -5.616 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.683 15.470 -5.642 1.00 0.00 C ATOM 1250 CD2 TYR A 78 8.728 16.668 -6.453 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.412 14.407 -6.518 1.00 0.00 C ATOM 1252 CE2 TYR A 78 8.417 15.580 -7.296 1.00 0.00 C ATOM 1253 CZ TYR A 78 9.252 14.440 -7.321 1.00 0.00 C ATOM 1254 OH TYR A 78 8.949 13.371 -8.105 1.00 0.00 O ATOM 0 H TYR A 78 11.209 19.948 -3.382 1.00 0.00 H new ATOM 0 HA TYR A 78 12.274 17.689 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.102 17.285 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.363 18.456 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.534 15.412 -4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.099 17.546 -6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.089 13.567 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.539 15.619 -7.924 1.00 0.00 H new ATOM 0 HH TYR A 78 8.005 13.137 -7.988 1.00 0.00 H new ATOM 1264 N ILE A 79 12.175 19.177 -7.027 1.00 0.00 N ATOM 1265 CA ILE A 79 12.359 20.123 -8.146 1.00 0.00 C ATOM 1266 C ILE A 79 12.217 19.371 -9.476 1.00 0.00 C ATOM 1267 O ILE A 79 12.902 18.372 -9.692 1.00 0.00 O ATOM 1268 CB ILE A 79 13.735 20.846 -8.069 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.060 21.386 -6.653 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.732 21.993 -9.102 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.412 22.104 -6.523 1.00 0.00 C ATOM 0 H ILE A 79 12.625 18.275 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 79 11.589 20.892 -8.077 1.00 0.00 H new ATOM 0 HB ILE A 79 14.517 20.121 -8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.270 22.075 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.040 20.553 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.688 22.516 -9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.579 21.583 -10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.928 22.691 -8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.546 22.444 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.216 21.416 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.435 22.962 -7.195 1.00 0.00 H new ATOM 1283 N ASP A 80 11.320 19.835 -10.353 1.00 0.00 N ATOM 1284 CA ASP A 80 11.147 19.328 -11.730 1.00 0.00 C ATOM 1285 C ASP A 80 10.887 17.798 -11.828 1.00 0.00 C ATOM 1286 O ASP A 80 11.144 17.177 -12.862 1.00 0.00 O ATOM 1287 CB ASP A 80 12.335 19.806 -12.591 1.00 0.00 C ATOM 1288 CG ASP A 80 12.098 19.633 -14.100 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.016 20.039 -14.590 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.019 19.158 -14.804 1.00 0.00 O ATOM 0 H ASP A 80 10.676 20.592 -10.125 1.00 0.00 H new ATOM 0 HA ASP A 80 10.225 19.752 -12.128 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.529 20.857 -12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.229 19.252 -12.304 1.00 0.00 H new ATOM 1295 N GLY A 81 10.386 17.180 -10.747 1.00 0.00 N ATOM 1296 CA GLY A 81 10.122 15.736 -10.666 1.00 0.00 C ATOM 1297 C GLY A 81 11.274 14.898 -10.088 1.00 0.00 C ATOM 1298 O GLY A 81 11.268 13.679 -10.261 1.00 0.00 O ATOM 0 H GLY A 81 10.149 17.679 -9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.234 15.578 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.890 15.367 -11.665 1.00 0.00 H new ATOM 1302 N GLU A 82 12.251 15.516 -9.413 1.00 0.00 N ATOM 1303 CA GLU A 82 13.358 14.839 -8.726 1.00 0.00 C ATOM 1304 C GLU A 82 13.605 15.456 -7.337 1.00 0.00 C ATOM 1305 O GLU A 82 13.439 16.662 -7.136 1.00 0.00 O ATOM 1306 CB GLU A 82 14.614 14.910 -9.611 1.00 0.00 C ATOM 1307 CG GLU A 82 15.762 14.033 -9.094 1.00 0.00 C ATOM 1308 CD GLU A 82 16.904 13.969 -10.117 1.00 0.00 C ATOM 1309 OE1 GLU A 82 17.774 14.874 -10.128 1.00 0.00 O ATOM 1310 OE2 GLU A 82 16.948 13.004 -10.919 1.00 0.00 O ATOM 0 H GLU A 82 12.294 16.531 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 82 13.101 13.792 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.356 14.601 -10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.952 15.944 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.135 14.433 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.394 13.028 -8.890 1.00 0.00 H new ATOM 1317 N PHE A 83 13.992 14.635 -6.354 1.00 0.00 N ATOM 1318 CA PHE A 83 14.299 15.112 -5.002 1.00 0.00 C ATOM 1319 C PHE A 83 15.677 15.788 -4.930 1.00 0.00 C ATOM 1320 O PHE A 83 16.638 15.360 -5.573 1.00 0.00 O ATOM 1321 CB PHE A 83 14.147 13.977 -3.976 1.00 0.00 C ATOM 1322 CG PHE A 83 15.324 13.025 -3.895 1.00 0.00 C ATOM 1323 CD1 PHE A 83 15.421 11.930 -4.773 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.345 13.257 -2.954 1.00 0.00 C ATOM 1325 CE1 PHE A 83 16.532 11.071 -4.705 1.00 0.00 C ATOM 1326 CE2 PHE A 83 17.460 12.406 -2.896 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.554 11.309 -3.768 1.00 0.00 C ATOM 0 H PHE A 83 14.101 13.628 -6.472 1.00 0.00 H new ATOM 0 HA PHE A 83 13.572 15.882 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.986 14.416 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.252 13.405 -4.220 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.642 11.749 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 83 16.270 14.093 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 83 16.601 10.226 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 83 18.246 12.595 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.408 10.650 -3.719 1.00 0.00 H new ATOM 1337 N PHE A 84 15.767 16.838 -4.106 1.00 0.00 N ATOM 1338 CA PHE A 84 17.009 17.554 -3.807 1.00 0.00 C ATOM 1339 C PHE A 84 17.568 17.189 -2.414 1.00 0.00 C ATOM 1340 O PHE A 84 18.782 17.230 -2.208 1.00 0.00 O ATOM 1341 CB PHE A 84 16.722 19.054 -3.951 1.00 0.00 C ATOM 1342 CG PHE A 84 17.958 19.922 -3.897 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.713 20.135 -5.066 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.371 20.498 -2.680 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.886 20.910 -5.013 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.543 21.272 -2.631 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.306 21.468 -3.795 1.00 0.00 C ATOM 0 H PHE A 84 14.958 17.221 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 84 17.791 17.261 -4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.210 19.227 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.039 19.361 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.392 19.704 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.787 20.345 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.464 21.076 -5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.858 21.716 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.216 22.048 -3.752 1.00 0.00 H new ATOM 1357 N GLY A 85 16.696 16.778 -1.477 1.00 0.00 N ATOM 1358 CA GLY A 85 17.052 16.302 -0.130 1.00 0.00 C ATOM 1359 C GLY A 85 16.493 17.175 0.994 1.00 0.00 C ATOM 1360 O GLY A 85 15.623 18.017 0.767 1.00 0.00 O ATOM 0 H GLY A 85 15.690 16.768 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.685 15.283 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.138 16.263 -0.043 1.00 0.00 H new ATOM 1364 N GLY A 86 16.968 16.939 2.220 1.00 0.00 N ATOM 1365 CA GLY A 86 16.486 17.592 3.447 1.00 0.00 C ATOM 1366 C GLY A 86 16.999 19.017 3.637 1.00 0.00 C ATOM 1367 O GLY A 86 17.861 19.494 2.895 1.00 0.00 O ATOM 0 H GLY A 86 17.719 16.271 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.396 17.608 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.785 16.992 4.307 1.00 0.00 H new ATOM 1371 N CYS A 87 16.479 19.715 4.651 1.00 0.00 N ATOM 1372 CA CYS A 87 16.777 21.136 4.876 1.00 0.00 C ATOM 1373 C CYS A 87 18.243 21.400 5.243 1.00 0.00 C ATOM 1374 O CYS A 87 18.847 22.316 4.693 1.00 0.00 O ATOM 1375 CB CYS A 87 15.823 21.695 5.943 1.00 0.00 C ATOM 1376 SG CYS A 87 14.118 21.637 5.326 1.00 0.00 S ATOM 0 H CYS A 87 15.841 19.314 5.338 1.00 0.00 H new ATOM 0 HA CYS A 87 16.617 21.658 3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.908 21.114 6.861 1.00 0.00 H new ATOM 0 HB3 CYS A 87 16.097 22.721 6.188 1.00 0.00 H new ATOM 0 HG CYS A 87 13.313 22.108 6.231 1.00 0.00 H new ATOM 1382 N ASP A 88 18.847 20.577 6.098 1.00 0.00 N ATOM 1383 CA ASP A 88 20.260 20.728 6.479 1.00 0.00 C ATOM 1384 C ASP A 88 21.191 20.538 5.268 1.00 0.00 C ATOM 1385 O ASP A 88 22.085 21.350 5.034 1.00 0.00 O ATOM 1386 CB ASP A 88 20.579 19.732 7.602 1.00 0.00 C ATOM 1387 CG ASP A 88 22.019 19.889 8.115 1.00 0.00 C ATOM 1388 OD1 ASP A 88 22.340 20.957 8.691 1.00 0.00 O ATOM 1389 OD2 ASP A 88 22.813 18.929 7.970 1.00 0.00 O ATOM 0 H ASP A 88 18.379 19.790 6.547 1.00 0.00 H new ATOM 0 HA ASP A 88 20.431 21.741 6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 88 19.882 19.879 8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.432 18.715 7.238 1.00 0.00 H new ATOM 1394 N ILE A 89 20.903 19.531 4.432 1.00 0.00 N ATOM 1395 CA ILE A 89 21.595 19.308 3.146 1.00 0.00 C ATOM 1396 C ILE A 89 21.419 20.534 2.235 1.00 0.00 C ATOM 1397 O ILE A 89 22.387 21.004 1.637 1.00 0.00 O ATOM 1398 CB ILE A 89 21.085 18.005 2.468 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.405 16.768 3.345 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.693 17.836 1.061 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.737 15.471 2.867 1.00 0.00 C ATOM 0 H ILE A 89 20.178 18.840 4.627 1.00 0.00 H new ATOM 0 HA ILE A 89 22.661 19.179 3.331 1.00 0.00 H new ATOM 0 HB ILE A 89 20.003 18.086 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.485 16.621 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.090 16.970 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.319 16.917 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.412 18.685 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.779 17.786 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.011 14.653 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.654 15.596 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.071 15.241 1.855 1.00 0.00 H new ATOM 1413 N THR A 90 20.204 21.093 2.185 1.00 0.00 N ATOM 1414 CA THR A 90 19.859 22.292 1.403 1.00 0.00 C ATOM 1415 C THR A 90 20.610 23.524 1.897 1.00 0.00 C ATOM 1416 O THR A 90 21.136 24.265 1.078 1.00 0.00 O ATOM 1417 CB THR A 90 18.344 22.514 1.401 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.722 21.375 0.854 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.921 23.706 0.545 1.00 0.00 C ATOM 0 H THR A 90 19.410 20.715 2.701 1.00 0.00 H new ATOM 0 HA THR A 90 20.176 22.125 0.374 1.00 0.00 H new ATOM 0 HB THR A 90 18.049 22.703 2.433 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.727 20.651 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.837 23.814 0.582 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.389 24.613 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.234 23.543 -0.486 1.00 0.00 H new ATOM 1427 N VAL A 91 20.718 23.724 3.210 1.00 0.00 N ATOM 1428 CA VAL A 91 21.509 24.808 3.817 1.00 0.00 C ATOM 1429 C VAL A 91 23.006 24.674 3.477 1.00 0.00 C ATOM 1430 O VAL A 91 23.643 25.684 3.175 1.00 0.00 O ATOM 1431 CB VAL A 91 21.262 24.886 5.344 1.00 0.00 C ATOM 1432 CG1 VAL A 91 22.256 25.808 6.075 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.841 25.407 5.636 1.00 0.00 C ATOM 0 H VAL A 91 20.253 23.131 3.898 1.00 0.00 H new ATOM 0 HA VAL A 91 21.173 25.751 3.386 1.00 0.00 H new ATOM 0 HB VAL A 91 21.396 23.869 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.027 25.818 7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 91 23.271 25.440 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.174 26.820 5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 91 19.685 25.455 6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.723 26.402 5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 91 19.108 24.732 5.193 1.00 0.00 H new ATOM 1443 N GLU A 92 23.574 23.461 3.471 1.00 0.00 N ATOM 1444 CA GLU A 92 24.958 23.238 3.017 1.00 0.00 C ATOM 1445 C GLU A 92 25.124 23.467 1.504 1.00 0.00 C ATOM 1446 O GLU A 92 26.115 24.066 1.079 1.00 0.00 O ATOM 1447 CB GLU A 92 25.439 21.823 3.377 1.00 0.00 C ATOM 1448 CG GLU A 92 25.630 21.628 4.886 1.00 0.00 C ATOM 1449 CD GLU A 92 26.315 20.286 5.185 1.00 0.00 C ATOM 1450 OE1 GLU A 92 25.748 19.216 4.855 1.00 0.00 O ATOM 1451 OE2 GLU A 92 27.434 20.291 5.752 1.00 0.00 O ATOM 0 H GLU A 92 23.096 22.614 3.777 1.00 0.00 H new ATOM 0 HA GLU A 92 25.572 23.972 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.717 21.094 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.381 21.623 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.230 22.444 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.663 21.666 5.387 1.00 0.00 H new ATOM 1458 N ALA A 93 24.157 23.048 0.682 1.00 0.00 N ATOM 1459 CA ALA A 93 24.165 23.275 -0.767 1.00 0.00 C ATOM 1460 C ALA A 93 24.065 24.768 -1.126 1.00 0.00 C ATOM 1461 O ALA A 93 24.752 25.222 -2.036 1.00 0.00 O ATOM 1462 CB ALA A 93 23.021 22.458 -1.386 1.00 0.00 C ATOM 0 H ALA A 93 23.337 22.536 1.007 1.00 0.00 H new ATOM 0 HA ALA A 93 25.118 22.943 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.007 22.611 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.172 21.400 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.071 22.782 -0.961 1.00 0.00 H new ATOM 1468 N TYR A 94 23.262 25.544 -0.395 1.00 0.00 N ATOM 1469 CA TYR A 94 23.180 27.006 -0.491 1.00 0.00 C ATOM 1470 C TYR A 94 24.515 27.689 -0.152 1.00 0.00 C ATOM 1471 O TYR A 94 24.981 28.551 -0.899 1.00 0.00 O ATOM 1472 CB TYR A 94 22.065 27.481 0.454 1.00 0.00 C ATOM 1473 CG TYR A 94 21.977 28.984 0.642 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.592 29.804 -0.437 1.00 0.00 C ATOM 1475 CD2 TYR A 94 22.273 29.564 1.891 1.00 0.00 C ATOM 1476 CE1 TYR A 94 21.473 31.197 -0.265 1.00 0.00 C ATOM 1477 CE2 TYR A 94 22.167 30.955 2.071 1.00 0.00 C ATOM 1478 CZ TYR A 94 21.760 31.778 0.993 1.00 0.00 C ATOM 1479 OH TYR A 94 21.645 33.125 1.160 1.00 0.00 O ATOM 0 H TYR A 94 22.628 25.160 0.305 1.00 0.00 H new ATOM 0 HA TYR A 94 22.953 27.284 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.109 27.122 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 94 22.214 27.017 1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.387 29.362 -1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.583 28.938 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 94 21.164 31.820 -1.091 1.00 0.00 H new ATOM 0 HE2 TYR A 94 22.396 31.395 3.030 1.00 0.00 H new ATOM 0 HH TYR A 94 21.877 33.361 2.082 1.00 0.00 H new ATOM 1489 N LYS A 95 25.173 27.254 0.931 1.00 0.00 N ATOM 1490 CA LYS A 95 26.506 27.732 1.330 1.00 0.00 C ATOM 1491 C LYS A 95 27.610 27.307 0.340 1.00 0.00 C ATOM 1492 O LYS A 95 28.596 28.021 0.165 1.00 0.00 O ATOM 1493 CB LYS A 95 26.800 27.222 2.752 1.00 0.00 C ATOM 1494 CG LYS A 95 25.974 27.967 3.815 1.00 0.00 C ATOM 1495 CD LYS A 95 26.146 27.313 5.195 1.00 0.00 C ATOM 1496 CE LYS A 95 25.331 28.026 6.288 1.00 0.00 C ATOM 1497 NZ LYS A 95 25.895 29.355 6.657 1.00 0.00 N ATOM 0 H LYS A 95 24.790 26.551 1.564 1.00 0.00 H new ATOM 0 HA LYS A 95 26.505 28.822 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.583 26.155 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.862 27.343 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 95 26.287 29.010 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.921 27.962 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 95 25.839 26.269 5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 95 27.201 27.321 5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 95 24.305 28.155 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 95 25.292 27.394 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 25.306 29.789 7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 26.865 29.234 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 25.908 29.971 5.819 1.00 0.00 H new ATOM 1511 N SER A 96 27.437 26.171 -0.339 1.00 0.00 N ATOM 1512 CA SER A 96 28.388 25.640 -1.333 1.00 0.00 C ATOM 1513 C SER A 96 28.143 26.171 -2.763 1.00 0.00 C ATOM 1514 O SER A 96 28.984 25.976 -3.646 1.00 0.00 O ATOM 1515 CB SER A 96 28.316 24.102 -1.328 1.00 0.00 C ATOM 1516 OG SER A 96 28.518 23.564 -0.026 1.00 0.00 O ATOM 0 H SER A 96 26.616 25.578 -0.215 1.00 0.00 H new ATOM 0 HA SER A 96 29.381 25.985 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.344 23.783 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 96 29.069 23.701 -2.007 1.00 0.00 H new ATOM 0 HG SER A 96 27.703 23.680 0.506 1.00 0.00 H new ATOM 1522 N GLY A 97 26.991 26.813 -3.018 1.00 0.00 N ATOM 1523 CA GLY A 97 26.573 27.342 -4.332 1.00 0.00 C ATOM 1524 C GLY A 97 25.861 26.323 -5.228 1.00 0.00 C ATOM 1525 O GLY A 97 25.418 26.661 -6.326 1.00 0.00 O ATOM 0 H GLY A 97 26.298 26.985 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.911 28.193 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.453 27.716 -4.856 1.00 0.00 H new ATOM 1529 N GLU A 98 25.716 25.080 -4.763 1.00 0.00 N ATOM 1530 CA GLU A 98 25.146 23.964 -5.528 1.00 0.00 C ATOM 1531 C GLU A 98 23.631 24.114 -5.712 1.00 0.00 C ATOM 1532 O GLU A 98 23.110 23.796 -6.779 1.00 0.00 O ATOM 1533 CB GLU A 98 25.467 22.632 -4.830 1.00 0.00 C ATOM 1534 CG GLU A 98 26.973 22.400 -4.665 1.00 0.00 C ATOM 1535 CD GLU A 98 27.261 20.982 -4.150 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.235 20.767 -2.915 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.529 20.080 -4.979 1.00 0.00 O ATOM 0 H GLU A 98 25.998 24.813 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 98 25.599 23.974 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.991 22.616 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.038 21.812 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.474 22.552 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.383 23.133 -3.970 1.00 0.00 H new ATOM 1544 N LEU A 99 22.927 24.661 -4.707 1.00 0.00 N ATOM 1545 CA LEU A 99 21.485 24.935 -4.784 1.00 0.00 C ATOM 1546 C LEU A 99 21.202 25.962 -5.894 1.00 0.00 C ATOM 1547 O LEU A 99 20.375 25.717 -6.769 1.00 0.00 O ATOM 1548 CB LEU A 99 20.997 25.403 -3.392 1.00 0.00 C ATOM 1549 CG LEU A 99 19.526 25.094 -3.040 1.00 0.00 C ATOM 1550 CD1 LEU A 99 19.148 25.877 -1.781 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.518 25.411 -4.145 1.00 0.00 C ATOM 0 H LEU A 99 23.345 24.926 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 99 20.931 24.034 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.633 24.944 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.146 26.481 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 99 19.471 24.016 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 99 18.110 25.668 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 99 19.796 25.577 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 99 19.268 26.944 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.513 25.160 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.565 26.473 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 99 18.756 24.826 -5.033 1.00 0.00 H new ATOM 1563 N GLN A 100 21.948 27.075 -5.903 1.00 0.00 N ATOM 1564 CA GLN A 100 21.857 28.120 -6.932 1.00 0.00 C ATOM 1565 C GLN A 100 22.097 27.529 -8.329 1.00 0.00 C ATOM 1566 O GLN A 100 21.272 27.725 -9.220 1.00 0.00 O ATOM 1567 CB GLN A 100 22.882 29.225 -6.608 1.00 0.00 C ATOM 1568 CG GLN A 100 22.768 30.445 -7.537 1.00 0.00 C ATOM 1569 CD GLN A 100 23.828 31.503 -7.217 1.00 0.00 C ATOM 1570 OE1 GLN A 100 24.832 31.649 -7.904 1.00 0.00 O ATOM 1571 NE2 GLN A 100 23.669 32.275 -6.157 1.00 0.00 N ATOM 0 H GLN A 100 22.643 27.278 -5.184 1.00 0.00 H new ATOM 0 HA GLN A 100 20.855 28.550 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 100 22.745 29.548 -5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.888 28.812 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 100 22.875 30.124 -8.573 1.00 0.00 H new ATOM 0 HG3 GLN A 100 21.775 30.884 -7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.841 32.172 -5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.374 32.975 -5.925 1.00 0.00 H new ATOM 1580 N GLU A 101 23.170 26.743 -8.497 1.00 0.00 N ATOM 1581 CA GLU A 101 23.512 26.107 -9.771 1.00 0.00 C ATOM 1582 C GLU A 101 22.407 25.148 -10.245 1.00 0.00 C ATOM 1583 O GLU A 101 21.988 25.221 -11.401 1.00 0.00 O ATOM 1584 CB GLU A 101 24.870 25.393 -9.639 1.00 0.00 C ATOM 1585 CG GLU A 101 25.375 24.864 -10.986 1.00 0.00 C ATOM 1586 CD GLU A 101 26.784 24.269 -10.854 1.00 0.00 C ATOM 1587 OE1 GLU A 101 27.776 25.027 -10.971 1.00 0.00 O ATOM 1588 OE2 GLU A 101 26.906 23.037 -10.645 1.00 0.00 O ATOM 0 H GLU A 101 23.827 26.531 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 101 23.595 26.879 -10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.604 26.084 -9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.777 24.565 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.690 24.104 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.386 25.673 -11.717 1.00 0.00 H new ATOM 1595 N GLN A 102 21.892 24.280 -9.367 1.00 0.00 N ATOM 1596 CA GLN A 102 20.823 23.343 -9.716 1.00 0.00 C ATOM 1597 C GLN A 102 19.483 24.049 -9.974 1.00 0.00 C ATOM 1598 O GLN A 102 18.767 23.638 -10.888 1.00 0.00 O ATOM 1599 CB GLN A 102 20.685 22.259 -8.635 1.00 0.00 C ATOM 1600 CG GLN A 102 21.868 21.268 -8.625 1.00 0.00 C ATOM 1601 CD GLN A 102 21.887 20.356 -9.852 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.643 20.549 -10.796 1.00 0.00 O ATOM 1603 NE2 GLN A 102 21.047 19.340 -9.905 1.00 0.00 N ATOM 0 H GLN A 102 22.204 24.209 -8.399 1.00 0.00 H new ATOM 0 HA GLN A 102 21.104 22.865 -10.654 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.608 22.735 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.758 21.709 -8.795 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.803 21.826 -8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.816 20.657 -7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.410 19.164 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 102 21.035 18.731 -10.723 1.00 0.00 H new ATOM 1612 N VAL A 103 19.149 25.120 -9.242 1.00 0.00 N ATOM 1613 CA VAL A 103 17.949 25.936 -9.518 1.00 0.00 C ATOM 1614 C VAL A 103 18.064 26.627 -10.881 1.00 0.00 C ATOM 1615 O VAL A 103 17.097 26.593 -11.637 1.00 0.00 O ATOM 1616 CB VAL A 103 17.669 26.956 -8.392 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.679 28.072 -8.780 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.073 26.215 -7.183 1.00 0.00 C ATOM 0 H VAL A 103 19.696 25.447 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 103 17.095 25.260 -9.550 1.00 0.00 H new ATOM 0 HB VAL A 103 18.627 27.428 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.538 28.744 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.076 28.632 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.721 27.630 -9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.872 26.927 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.143 25.728 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.781 25.464 -6.831 1.00 0.00 H new ATOM 1628 N GLU A 104 19.216 27.213 -11.233 1.00 0.00 N ATOM 1629 CA GLU A 104 19.414 27.803 -12.563 1.00 0.00 C ATOM 1630 C GLU A 104 19.263 26.748 -13.672 1.00 0.00 C ATOM 1631 O GLU A 104 18.516 26.955 -14.630 1.00 0.00 O ATOM 1632 CB GLU A 104 20.788 28.485 -12.663 1.00 0.00 C ATOM 1633 CG GLU A 104 20.813 29.855 -11.975 1.00 0.00 C ATOM 1634 CD GLU A 104 22.116 30.605 -12.293 1.00 0.00 C ATOM 1635 OE1 GLU A 104 23.158 30.322 -11.658 1.00 0.00 O ATOM 1636 OE2 GLU A 104 22.103 31.485 -13.190 1.00 0.00 O ATOM 0 H GLU A 104 20.024 27.291 -10.616 1.00 0.00 H new ATOM 0 HA GLU A 104 18.640 28.557 -12.703 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.543 27.841 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.056 28.604 -13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.959 30.447 -12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.716 29.727 -10.897 1.00 0.00 H new ATOM 1643 N LYS A 105 19.892 25.578 -13.512 1.00 0.00 N ATOM 1644 CA LYS A 105 19.776 24.450 -14.443 1.00 0.00 C ATOM 1645 C LYS A 105 18.327 23.946 -14.583 1.00 0.00 C ATOM 1646 O LYS A 105 17.884 23.669 -15.698 1.00 0.00 O ATOM 1647 CB LYS A 105 20.722 23.325 -13.997 1.00 0.00 C ATOM 1648 CG LYS A 105 22.196 23.664 -14.293 1.00 0.00 C ATOM 1649 CD LYS A 105 23.174 22.707 -13.597 1.00 0.00 C ATOM 1650 CE LYS A 105 23.058 21.267 -14.115 1.00 0.00 C ATOM 1651 NZ LYS A 105 23.935 20.342 -13.349 1.00 0.00 N ATOM 0 H LYS A 105 20.505 25.385 -12.720 1.00 0.00 H new ATOM 0 HA LYS A 105 20.068 24.796 -15.435 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.597 23.148 -12.929 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.452 22.400 -14.507 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.364 23.629 -15.369 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.402 24.685 -13.971 1.00 0.00 H new ATOM 0 HD2 LYS A 105 24.193 23.062 -13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.987 22.719 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 105 22.023 20.934 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.328 21.236 -15.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.898 19.395 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.913 20.694 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.607 20.290 -12.363 1.00 0.00 H new ATOM 1665 N ALA A 106 17.559 23.881 -13.487 1.00 0.00 N ATOM 1666 CA ALA A 106 16.135 23.535 -13.527 1.00 0.00 C ATOM 1667 C ALA A 106 15.301 24.609 -14.252 1.00 0.00 C ATOM 1668 O ALA A 106 14.505 24.273 -15.127 1.00 0.00 O ATOM 1669 CB ALA A 106 15.643 23.306 -12.089 1.00 0.00 C ATOM 0 H ALA A 106 17.910 24.067 -12.547 1.00 0.00 H new ATOM 0 HA ALA A 106 16.006 22.618 -14.103 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.584 23.048 -12.104 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.209 22.492 -11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.786 24.216 -11.506 1.00 0.00 H new ATOM 1675 N MET A 107 15.512 25.894 -13.950 1.00 0.00 N ATOM 1676 CA MET A 107 14.718 27.007 -14.498 1.00 0.00 C ATOM 1677 C MET A 107 14.926 27.200 -16.006 1.00 0.00 C ATOM 1678 O MET A 107 13.951 27.462 -16.713 1.00 0.00 O ATOM 1679 CB MET A 107 15.020 28.305 -13.728 1.00 0.00 C ATOM 1680 CG MET A 107 14.468 28.289 -12.296 1.00 0.00 C ATOM 1681 SD MET A 107 12.663 28.305 -12.151 1.00 0.00 S ATOM 1682 CE MET A 107 12.545 28.256 -10.345 1.00 0.00 C ATOM 0 H MET A 107 16.247 26.198 -13.311 1.00 0.00 H new ATOM 0 HA MET A 107 13.667 26.749 -14.365 1.00 0.00 H new ATOM 0 HB2 MET A 107 16.098 28.460 -13.695 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.593 29.150 -14.268 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.847 27.401 -11.790 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.865 29.153 -11.763 1.00 0.00 H new ATOM 0 HE1 MET A 107 11.496 28.259 -10.049 1.00 0.00 H new ATOM 0 HE2 MET A 107 13.024 27.350 -9.974 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.044 29.129 -9.924 1.00 0.00 H new ATOM 1692 N CYS A 108 16.155 27.031 -16.520 1.00 0.00 N ATOM 1693 CA CYS A 108 16.410 27.037 -17.971 1.00 0.00 C ATOM 1694 C CYS A 108 16.058 25.699 -18.668 1.00 0.00 C ATOM 1695 O CYS A 108 15.761 25.717 -19.867 1.00 0.00 O ATOM 1696 CB CYS A 108 17.851 27.498 -18.255 1.00 0.00 C ATOM 1697 SG CYS A 108 19.081 26.306 -17.661 1.00 0.00 S ATOM 0 H CYS A 108 16.990 26.888 -15.951 1.00 0.00 H new ATOM 0 HA CYS A 108 15.728 27.761 -18.417 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.979 27.645 -19.327 1.00 0.00 H new ATOM 0 HB3 CYS A 108 18.023 28.463 -17.778 1.00 0.00 H new ATOM 0 HG CYS A 108 19.184 26.397 -16.368 1.00 0.00 H new ATOM 1703 N SER A 109 16.049 24.578 -17.927 1.00 0.00 N ATOM 1704 CA SER A 109 15.694 23.211 -18.373 1.00 0.00 C ATOM 1705 C SER A 109 16.530 22.740 -19.581 1.00 0.00 C ATOM 1706 O SER A 109 15.984 22.562 -20.697 1.00 0.00 O ATOM 1707 CB SER A 109 14.188 23.083 -18.633 1.00 0.00 C ATOM 1708 OG SER A 109 13.489 23.189 -17.408 1.00 0.00 O ATOM 1709 OXT SER A 109 17.748 22.510 -19.401 1.00 0.00 O ATOM 0 H SER A 109 16.304 24.598 -16.940 1.00 0.00 H new ATOM 0 HA SER A 109 15.946 22.539 -17.553 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.859 23.862 -19.321 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.970 22.126 -19.107 1.00 0.00 H new ATOM 0 HG SER A 109 14.048 23.655 -16.752 1.00 0.00 H new TER 1715 SER A 109