USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 1371 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: B 80 CYS SG : rot -170:sc= -0.153 USER MOD Set 1.2: B 84 ASN : amide:sc= -0.223 K(o=-0.38,f=0.8) USER MOD Set 2.1: B 61 LYS NZ :NH3+ -176:sc= 1.29 (180deg=0.556) USER MOD Set 2.2: B 62 ASN : amide:sc= 1.47 K(o=4.3,f=-4.8!) USER MOD Set 2.3: B 65 GLN : amide:sc= 1.51 K(o=4.3,f=-5.2) USER MOD Set 3.1: B 32 LYS NZ :NH3+ 178:sc= 1.79 (180deg=0.856) USER MOD Set 3.2: B 63 SER OG : rot 92:sc= 1.96 USER MOD Set 4.1: A 80 CYS SG : rot -44:sc= 0.5 USER MOD Set 4.2: A 83 TYR OH : rot -61:sc= 0.0293 USER MOD Set 4.3: A 84 ASN : amide:sc= 0.962 K(o=1.5,f=0.94) USER MOD Set 5.1: A 73 SER OG : rot -12:sc= -0.0286 USER MOD Set 5.2: B 77 THR OG1 : rot 84:sc= 0.617 USER MOD Set 6.1: A 62 ASN : amide:sc= 0.348 X(o=0.73,f=0.41) USER MOD Set 6.2: A 65 GLN : amide:sc= 0.384 X(o=0.73,f=0.41) USER MOD Set 7.1: A 58 SER OG : rot 138:sc= 2.26 USER MOD Set 7.2: A 61 LYS NZ :NH3+ -147:sc= 1.19 (180deg=0) USER MOD Set 8.1: A 32 LYS NZ :NH3+ 161:sc= 0.447! (180deg=-0.386!) USER MOD Set 8.2: A 63 SER OG : rot -83:sc= 1.92 USER MOD Set 9.1: A 3 THR OG1 : rot 108:sc= 1.2 USER MOD Set 9.2: B 43 CYS SG : rot 50:sc= -0.0841 USER MOD Single : A 7 LYS NZ :NH3+ -137:sc= 0.801 (180deg=-0.886!) USER MOD Single : A 10 THR OG1 : rot 65:sc= 0.282 USER MOD Single : A 11 THR OG1 : rot 72:sc= 0.711 USER MOD Single : A 12 MET CE :methyl 171:sc= -0.12 (180deg=-0.187) USER MOD Single : A 14 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 15 THR OG1 : rot 169:sc= 1.25 USER MOD Single : A 17 HIS : no HE2:sc= 0.766 K(o=0.77,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ -110:sc= 1.53 (180deg=1.17) USER MOD Single : A 19 TYR OH : rot -158:sc= 0.577 USER MOD Single : A 20 SER OG : rot 45:sc= 0.847 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 141:sc= 1.27 USER MOD Single : A 30 SER OG : rot -99:sc= 1.57 USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= 2.38 (180deg=0.76) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 0.0758 (180deg=-0.061) USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= 1.04 (180deg=-0.791) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 87:sc= 1.26 USER MOD Single : A 51 SER OG : rot 180:sc= 0.00482 USER MOD Single : A 56 MET CE :methyl 165:sc= -0.197 (180deg=-0.534) USER MOD Single : A 57 LYS NZ :NH3+ 148:sc= -1.47 (180deg=-2.65!) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= -0.184 (180deg=-0.371) USER MOD Single : A 72 TYR OH : rot 156:sc= 0.233 USER MOD Single : A 77 THR OG1 : rot 87:sc= 0.48 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 161:sc= -0.202 (180deg=-0.689) USER MOD Single : B 3 THR OG1 : rot 135:sc= 1.37 USER MOD Single : B 7 LYS NZ :NH3+ -136:sc= -0.136 (180deg=-1.14!) USER MOD Single : B 10 THR OG1 : rot 95:sc= 1.24 USER MOD Single : B 11 THR OG1 : rot 75:sc= 1.08 USER MOD Single : B 12 MET CE :methyl 169:sc= 0 (180deg=-0.111) USER MOD Single : B 14 THR OG1 : rot 75:sc= 0.54 USER MOD Single : B 15 THR OG1 : rot -66:sc= 1.17 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : B 18 LYS NZ :NH3+ 166:sc=-0.000406 (180deg=-0.0954) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -144:sc= 1.2 USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ -113:sc= 0.638 (180deg=0.209) USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.113 USER MOD Single : B 30 SER OG : rot 180:sc= 0.134 USER MOD Single : B 35 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.17) USER MOD Single : B 39 LYS NZ :NH3+ 171:sc= 2.22 (180deg=1.97) USER MOD Single : B 40 LYS NZ :NH3+ -120:sc= 1.2 (180deg=-0.146) USER MOD Single : B 47 MET CE :methyl 156:sc= -1.58 (180deg=-2.78!) USER MOD Single : B 48 LYS NZ :NH3+ 145:sc= 1.09 (180deg=-0.0743) USER MOD Single : B 50 SER OG : rot 180:sc= 0.0204 USER MOD Single : B 51 SER OG : rot 19:sc= 1.2 USER MOD Single : B 56 MET CE :methyl -178:sc= -0.543 (180deg=-0.557) USER MOD Single : B 57 LYS NZ :NH3+ -160:sc= 0.977! (180deg=0.299) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ 141:sc= 0.7 (180deg=0.0899) USER MOD Single : B 72 TYR OH : rot 34:sc= 1.25 USER MOD Single : B 73 SER OG : rot -81:sc= 0.625 USER MOD Single : B 78 MET CE :methyl 154:sc= -0.0563 (180deg=-0.724) USER MOD Single : B 81 MET CE :methyl 146:sc= -0.0724 (180deg=-0.701) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.021 3.684 20.970 1.00 1.70 N ATOM 18 CA GLU A 2 7.555 3.766 20.976 1.00 1.97 C ATOM 19 C GLU A 2 7.070 5.219 21.029 1.00 1.56 C ATOM 20 O GLU A 2 6.317 5.658 21.903 1.00 2.05 O ATOM 21 CB GLU A 2 6.887 2.798 21.968 1.00 3.28 C ATOM 22 CG GLU A 2 5.999 1.785 21.230 1.00 4.81 C ATOM 23 CD GLU A 2 4.694 2.360 20.666 1.00 5.86 C ATOM 24 OE1 GLU A 2 4.720 3.301 19.841 1.00 6.28 O ATOM 25 OE2 GLU A 2 3.611 1.784 20.920 1.00 6.81 O ATOM 0 HA GLU A 2 7.202 3.392 20.015 1.00 1.97 H new ATOM 0 HB2 GLU A 2 7.651 2.270 22.538 1.00 3.28 H new ATOM 0 HB3 GLU A 2 6.287 3.360 22.683 1.00 3.28 H new ATOM 0 HG2 GLU A 2 6.572 1.351 20.410 1.00 4.81 H new ATOM 0 HG3 GLU A 2 5.755 0.972 21.914 1.00 4.81 H new ATOM 32 N THR A 3 7.542 5.983 20.041 1.00 1.01 N ATOM 33 CA THR A 3 6.879 7.226 19.621 1.00 0.97 C ATOM 34 C THR A 3 6.037 6.856 18.407 1.00 0.90 C ATOM 35 O THR A 3 6.592 6.331 17.451 1.00 1.59 O ATOM 36 CB THR A 3 7.869 8.353 19.315 1.00 1.24 C ATOM 37 OG1 THR A 3 8.922 7.923 18.500 1.00 1.68 O ATOM 38 CG2 THR A 3 8.500 8.851 20.597 1.00 2.31 C ATOM 0 H THR A 3 8.386 5.763 19.512 1.00 1.01 H new ATOM 0 HA THR A 3 6.262 7.625 20.426 1.00 0.97 H new ATOM 0 HB THR A 3 7.299 9.132 18.808 1.00 1.24 H new ATOM 0 HG1 THR A 3 8.819 8.305 17.603 1.00 1.68 H new ATOM 0 HG21 THR A 3 9.203 9.653 20.369 1.00 2.31 H new ATOM 0 HG22 THR A 3 7.723 9.228 21.262 1.00 2.31 H new ATOM 0 HG23 THR A 3 9.029 8.032 21.084 1.00 2.31 H new ATOM 46 N PRO A 4 4.707 7.051 18.412 1.00 0.95 N ATOM 47 CA PRO A 4 3.776 6.163 17.710 1.00 1.17 C ATOM 48 C PRO A 4 4.012 5.987 16.200 1.00 1.09 C ATOM 49 O PRO A 4 3.627 4.943 15.676 1.00 1.19 O ATOM 50 CB PRO A 4 2.374 6.680 18.052 1.00 1.82 C ATOM 51 CG PRO A 4 2.602 8.081 18.616 1.00 2.00 C ATOM 52 CD PRO A 4 3.973 7.960 19.270 1.00 1.59 C ATOM 0 HA PRO A 4 3.931 5.141 18.055 1.00 1.17 H new ATOM 0 HB2 PRO A 4 1.736 6.708 17.168 1.00 1.82 H new ATOM 0 HB3 PRO A 4 1.881 6.036 18.780 1.00 1.82 H new ATOM 0 HG2 PRO A 4 2.592 8.839 17.833 1.00 2.00 H new ATOM 0 HG3 PRO A 4 1.833 8.357 19.337 1.00 2.00 H new ATOM 0 HD2 PRO A 4 4.468 8.929 19.337 1.00 1.59 H new ATOM 0 HD3 PRO A 4 3.895 7.571 20.285 1.00 1.59 H new ATOM 60 N LEU A 5 4.688 6.920 15.510 1.00 1.02 N ATOM 61 CA LEU A 5 5.122 6.733 14.124 1.00 0.98 C ATOM 62 C LEU A 5 6.065 5.536 13.927 1.00 0.88 C ATOM 63 O LEU A 5 5.791 4.749 13.014 1.00 0.98 O ATOM 64 CB LEU A 5 5.782 8.005 13.576 1.00 1.01 C ATOM 65 CG LEU A 5 5.988 7.876 12.044 1.00 1.18 C ATOM 66 CD1 LEU A 5 4.930 8.682 11.288 1.00 1.57 C ATOM 67 CD2 LEU A 5 7.409 8.244 11.622 1.00 2.10 C ATOM 0 H LEU A 5 4.947 7.825 15.902 1.00 1.02 H new ATOM 0 HA LEU A 5 4.213 6.517 13.563 1.00 0.98 H new ATOM 0 HB2 LEU A 5 5.159 8.872 13.796 1.00 1.01 H new ATOM 0 HB3 LEU A 5 6.741 8.168 14.068 1.00 1.01 H new ATOM 0 HG LEU A 5 5.857 6.827 11.776 1.00 1.18 H new ATOM 0 HD11 LEU A 5 5.092 8.579 10.215 1.00 1.57 H new ATOM 0 HD12 LEU A 5 3.938 8.309 11.543 1.00 1.57 H new ATOM 0 HD13 LEU A 5 5.006 9.733 11.567 1.00 1.57 H new ATOM 0 HD21 LEU A 5 7.506 8.139 10.541 1.00 2.10 H new ATOM 0 HD22 LEU A 5 7.617 9.275 11.906 1.00 2.10 H new ATOM 0 HD23 LEU A 5 8.119 7.581 12.117 1.00 2.10 H new ATOM 79 N GLU A 6 7.108 5.329 14.753 1.00 0.81 N ATOM 80 CA GLU A 6 7.916 4.096 14.592 1.00 0.92 C ATOM 81 C GLU A 6 7.017 2.862 14.652 1.00 1.00 C ATOM 82 O GLU A 6 7.209 1.914 13.900 1.00 1.09 O ATOM 83 CB GLU A 6 9.057 3.924 15.614 1.00 1.13 C ATOM 84 CG GLU A 6 8.772 4.473 17.003 1.00 2.04 C ATOM 85 CD GLU A 6 9.791 4.037 18.036 1.00 3.10 C ATOM 86 OE1 GLU A 6 9.781 2.847 18.413 1.00 3.52 O ATOM 87 OE2 GLU A 6 10.464 4.913 18.612 1.00 4.59 O ATOM 0 H GLU A 6 7.403 5.958 15.500 1.00 0.81 H new ATOM 0 HA GLU A 6 8.389 4.202 13.616 1.00 0.92 H new ATOM 0 HB2 GLU A 6 9.288 2.862 15.701 1.00 1.13 H new ATOM 0 HB3 GLU A 6 9.949 4.413 15.224 1.00 1.13 H new ATOM 0 HG2 GLU A 6 8.751 5.562 16.959 1.00 2.04 H new ATOM 0 HG3 GLU A 6 7.781 4.148 17.319 1.00 2.04 H new ATOM 94 N LYS A 7 5.958 2.910 15.454 1.00 1.01 N ATOM 95 CA LYS A 7 5.057 1.779 15.626 1.00 1.20 C ATOM 96 C LYS A 7 4.027 1.656 14.484 1.00 1.10 C ATOM 97 O LYS A 7 3.534 0.560 14.192 1.00 1.19 O ATOM 98 CB LYS A 7 4.543 1.874 17.058 1.00 1.65 C ATOM 99 CG LYS A 7 3.399 0.922 17.432 1.00 2.03 C ATOM 100 CD LYS A 7 2.019 1.502 17.094 1.00 3.00 C ATOM 101 CE LYS A 7 1.780 2.914 17.656 1.00 3.95 C ATOM 102 NZ LYS A 7 2.103 3.034 19.099 1.00 4.64 N ATOM 0 H LYS A 7 5.702 3.732 16.001 1.00 1.01 H new ATOM 0 HA LYS A 7 5.549 0.812 15.523 1.00 1.20 H new ATOM 0 HB2 LYS A 7 5.377 1.689 17.734 1.00 1.65 H new ATOM 0 HB3 LYS A 7 4.210 2.897 17.235 1.00 1.65 H new ATOM 0 HG2 LYS A 7 3.531 -0.024 16.906 1.00 2.03 H new ATOM 0 HG3 LYS A 7 3.446 0.703 18.499 1.00 2.03 H new ATOM 0 HD2 LYS A 7 1.903 1.529 16.011 1.00 3.00 H new ATOM 0 HD3 LYS A 7 1.250 0.833 17.481 1.00 3.00 H new ATOM 0 HE2 LYS A 7 2.384 3.628 17.095 1.00 3.95 H new ATOM 0 HE3 LYS A 7 0.736 3.188 17.500 1.00 3.95 H new ATOM 0 HZ1 LYS A 7 1.362 3.586 19.576 1.00 4.64 H new ATOM 0 HZ2 LYS A 7 2.156 2.086 19.523 1.00 4.64 H new ATOM 0 HZ3 LYS A 7 3.018 3.515 19.211 1.00 4.64 H new ATOM 116 N ALA A 8 3.752 2.745 13.762 1.00 1.01 N ATOM 117 CA ALA A 8 3.072 2.715 12.466 1.00 1.03 C ATOM 118 C ALA A 8 3.928 2.002 11.406 1.00 0.87 C ATOM 119 O ALA A 8 3.415 1.116 10.728 1.00 0.88 O ATOM 120 CB ALA A 8 2.701 4.145 12.049 1.00 1.19 C ATOM 0 H ALA A 8 4.000 3.686 14.067 1.00 1.01 H new ATOM 0 HA ALA A 8 2.151 2.138 12.555 1.00 1.03 H new ATOM 0 HB1 ALA A 8 2.195 4.123 11.084 1.00 1.19 H new ATOM 0 HB2 ALA A 8 2.039 4.582 12.796 1.00 1.19 H new ATOM 0 HB3 ALA A 8 3.606 4.747 11.970 1.00 1.19 H new ATOM 126 N LEU A 9 5.240 2.274 11.346 1.00 0.84 N ATOM 127 CA LEU A 9 6.190 1.478 10.553 1.00 0.89 C ATOM 128 C LEU A 9 6.305 0.026 11.074 1.00 0.87 C ATOM 129 O LEU A 9 6.382 -0.890 10.249 1.00 0.91 O ATOM 130 CB LEU A 9 7.572 2.173 10.517 1.00 0.89 C ATOM 131 CG LEU A 9 7.808 3.270 9.455 1.00 0.95 C ATOM 132 CD1 LEU A 9 7.796 2.715 8.023 1.00 1.14 C ATOM 133 CD2 LEU A 9 6.839 4.456 9.549 1.00 1.03 C ATOM 0 H LEU A 9 5.673 3.051 11.845 1.00 0.84 H new ATOM 0 HA LEU A 9 5.806 1.416 9.535 1.00 0.89 H new ATOM 0 HB2 LEU A 9 7.748 2.615 11.498 1.00 0.89 H new ATOM 0 HB3 LEU A 9 8.329 1.402 10.374 1.00 0.89 H new ATOM 0 HG LEU A 9 8.805 3.646 9.686 1.00 0.95 H new ATOM 0 HD11 LEU A 9 7.966 3.527 7.316 1.00 1.14 H new ATOM 0 HD12 LEU A 9 8.584 1.969 7.915 1.00 1.14 H new ATOM 0 HD13 LEU A 9 6.829 2.254 7.820 1.00 1.14 H new ATOM 0 HD21 LEU A 9 7.073 5.180 8.769 1.00 1.03 H new ATOM 0 HD22 LEU A 9 5.816 4.101 9.420 1.00 1.03 H new ATOM 0 HD23 LEU A 9 6.938 4.930 10.525 1.00 1.03 H new ATOM 145 N THR A 10 6.214 -0.220 12.399 1.00 0.88 N ATOM 146 CA THR A 10 6.169 -1.588 12.974 1.00 0.90 C ATOM 147 C THR A 10 4.964 -2.357 12.446 1.00 0.92 C ATOM 148 O THR A 10 5.111 -3.508 12.034 1.00 0.97 O ATOM 149 CB THR A 10 6.190 -1.612 14.505 1.00 0.99 C ATOM 150 OG1 THR A 10 7.380 -0.994 14.917 1.00 1.06 O ATOM 151 CG2 THR A 10 6.207 -3.043 15.048 1.00 1.25 C ATOM 0 H THR A 10 6.170 0.519 13.100 1.00 0.88 H new ATOM 0 HA THR A 10 7.085 -2.080 12.648 1.00 0.90 H new ATOM 0 HB THR A 10 5.298 -1.107 14.876 1.00 0.99 H new ATOM 0 HG1 THR A 10 7.363 -0.048 14.661 1.00 1.06 H new ATOM 0 HG21 THR A 10 6.222 -3.019 16.138 1.00 1.25 H new ATOM 0 HG22 THR A 10 5.316 -3.571 14.709 1.00 1.25 H new ATOM 0 HG23 THR A 10 7.095 -3.559 14.685 1.00 1.25 H new ATOM 159 N THR A 11 3.791 -1.712 12.390 1.00 0.90 N ATOM 160 CA THR A 11 2.572 -2.255 11.769 1.00 0.88 C ATOM 161 C THR A 11 2.858 -2.639 10.322 1.00 0.92 C ATOM 162 O THR A 11 2.640 -3.791 9.973 1.00 1.02 O ATOM 163 CB THR A 11 1.403 -1.260 11.857 1.00 0.78 C ATOM 164 OG1 THR A 11 1.220 -0.821 13.187 1.00 0.91 O ATOM 165 CG2 THR A 11 0.075 -1.868 11.405 1.00 0.90 C ATOM 0 H THR A 11 3.659 -0.780 12.782 1.00 0.90 H new ATOM 0 HA THR A 11 2.273 -3.148 12.318 1.00 0.88 H new ATOM 0 HB THR A 11 1.670 -0.436 11.196 1.00 0.78 H new ATOM 0 HG1 THR A 11 1.956 -0.225 13.439 1.00 0.91 H new ATOM 0 HG21 THR A 11 -0.714 -1.121 11.488 1.00 0.90 H new ATOM 0 HG22 THR A 11 0.158 -2.194 10.368 1.00 0.90 H new ATOM 0 HG23 THR A 11 -0.167 -2.723 12.036 1.00 0.90 H new ATOM 173 N MET A 12 3.449 -1.727 9.542 1.00 0.91 N ATOM 174 CA MET A 12 3.750 -1.949 8.117 1.00 0.95 C ATOM 175 C MET A 12 4.760 -3.078 7.868 1.00 0.92 C ATOM 176 O MET A 12 4.579 -3.826 6.912 1.00 0.82 O ATOM 177 CB MET A 12 4.259 -0.657 7.456 1.00 0.95 C ATOM 178 CG MET A 12 3.189 0.429 7.340 1.00 1.13 C ATOM 179 SD MET A 12 3.848 1.997 6.699 1.00 1.19 S ATOM 180 CE MET A 12 2.614 2.359 5.432 1.00 1.09 C ATOM 0 H MET A 12 3.735 -0.808 9.880 1.00 0.91 H new ATOM 0 HA MET A 12 2.807 -2.256 7.666 1.00 0.95 H new ATOM 0 HB2 MET A 12 5.099 -0.269 8.033 1.00 0.95 H new ATOM 0 HB3 MET A 12 4.637 -0.892 6.461 1.00 0.95 H new ATOM 0 HG2 MET A 12 2.392 0.079 6.684 1.00 1.13 H new ATOM 0 HG3 MET A 12 2.743 0.600 8.320 1.00 1.13 H new ATOM 0 HE1 MET A 12 2.773 3.366 5.046 1.00 1.09 H new ATOM 0 HE2 MET A 12 2.706 1.640 4.618 1.00 1.09 H new ATOM 0 HE3 MET A 12 1.616 2.290 5.866 1.00 1.09 H new ATOM 190 N VAL A 13 5.813 -3.221 8.683 1.00 1.02 N ATOM 191 CA VAL A 13 6.741 -4.363 8.547 1.00 1.10 C ATOM 192 C VAL A 13 6.115 -5.689 9.013 1.00 1.12 C ATOM 193 O VAL A 13 6.556 -6.744 8.559 1.00 1.26 O ATOM 194 CB VAL A 13 8.122 -4.155 9.216 1.00 1.17 C ATOM 195 CG1 VAL A 13 8.877 -2.952 8.630 1.00 1.20 C ATOM 196 CG2 VAL A 13 8.045 -4.012 10.738 1.00 1.17 C ATOM 0 H VAL A 13 6.046 -2.573 9.435 1.00 1.02 H new ATOM 0 HA VAL A 13 6.926 -4.422 7.475 1.00 1.10 H new ATOM 0 HB VAL A 13 8.676 -5.067 8.994 1.00 1.17 H new ATOM 0 HG11 VAL A 13 9.839 -2.847 9.131 1.00 1.20 H new ATOM 0 HG12 VAL A 13 9.038 -3.108 7.563 1.00 1.20 H new ATOM 0 HG13 VAL A 13 8.290 -2.046 8.779 1.00 1.20 H new ATOM 0 HG21 VAL A 13 9.048 -3.869 11.141 1.00 1.17 H new ATOM 0 HG22 VAL A 13 7.426 -3.152 10.992 1.00 1.17 H new ATOM 0 HG23 VAL A 13 7.607 -4.913 11.166 1.00 1.17 H new ATOM 206 N THR A 14 5.098 -5.656 9.890 1.00 1.06 N ATOM 207 CA THR A 14 4.398 -6.853 10.393 1.00 1.10 C ATOM 208 C THR A 14 3.510 -7.452 9.306 1.00 1.10 C ATOM 209 O THR A 14 3.706 -8.611 8.945 1.00 1.12 O ATOM 210 CB THR A 14 3.600 -6.521 11.661 1.00 1.09 C ATOM 211 OG1 THR A 14 4.494 -6.050 12.636 1.00 1.16 O ATOM 212 CG2 THR A 14 2.912 -7.750 12.249 1.00 1.44 C ATOM 0 H THR A 14 4.733 -4.785 10.276 1.00 1.06 H new ATOM 0 HA THR A 14 5.140 -7.605 10.662 1.00 1.10 H new ATOM 0 HB THR A 14 2.843 -5.785 11.389 1.00 1.09 H new ATOM 0 HG1 THR A 14 4.798 -5.150 12.394 1.00 1.16 H new ATOM 0 HG21 THR A 14 2.360 -7.464 13.145 1.00 1.44 H new ATOM 0 HG22 THR A 14 2.222 -8.167 11.515 1.00 1.44 H new ATOM 0 HG23 THR A 14 3.662 -8.498 12.508 1.00 1.44 H new ATOM 220 N THR A 15 2.589 -6.658 8.749 1.00 1.13 N ATOM 221 CA THR A 15 1.739 -7.020 7.605 1.00 1.05 C ATOM 222 C THR A 15 2.585 -7.370 6.394 1.00 1.01 C ATOM 223 O THR A 15 2.395 -8.460 5.858 1.00 1.15 O ATOM 224 CB THR A 15 0.787 -5.859 7.289 1.00 0.97 C ATOM 225 OG1 THR A 15 1.503 -4.647 7.291 1.00 1.18 O ATOM 226 CG2 THR A 15 -0.328 -5.746 8.326 1.00 1.17 C ATOM 0 H THR A 15 2.407 -5.715 9.092 1.00 1.13 H new ATOM 0 HA THR A 15 1.152 -7.901 7.863 1.00 1.05 H new ATOM 0 HB THR A 15 0.347 -6.056 6.311 1.00 0.97 H new ATOM 0 HG1 THR A 15 0.940 -3.934 6.924 1.00 1.18 H new ATOM 0 HG21 THR A 15 -0.982 -4.913 8.068 1.00 1.17 H new ATOM 0 HG22 THR A 15 -0.906 -6.670 8.341 1.00 1.17 H new ATOM 0 HG23 THR A 15 0.107 -5.575 9.311 1.00 1.17 H new ATOM 234 N PHE A 16 3.572 -6.550 6.012 1.00 0.93 N ATOM 235 CA PHE A 16 4.472 -6.852 4.891 1.00 0.91 C ATOM 236 C PHE A 16 5.191 -8.202 5.061 1.00 0.93 C ATOM 237 O PHE A 16 5.411 -8.884 4.063 1.00 0.83 O ATOM 238 CB PHE A 16 5.459 -5.686 4.709 1.00 0.95 C ATOM 239 CG PHE A 16 6.376 -5.717 3.497 1.00 0.93 C ATOM 240 CD1 PHE A 16 7.572 -6.459 3.530 1.00 2.12 C ATOM 241 CD2 PHE A 16 6.088 -4.942 2.357 1.00 1.53 C ATOM 242 CE1 PHE A 16 8.440 -6.446 2.427 1.00 2.12 C ATOM 243 CE2 PHE A 16 6.992 -4.884 1.278 1.00 1.53 C ATOM 244 CZ PHE A 16 8.166 -5.656 1.297 1.00 0.94 C ATOM 0 H PHE A 16 3.769 -5.660 6.470 1.00 0.93 H new ATOM 0 HA PHE A 16 3.876 -6.956 3.984 1.00 0.91 H new ATOM 0 HB2 PHE A 16 4.882 -4.762 4.669 1.00 0.95 H new ATOM 0 HB3 PHE A 16 6.084 -5.634 5.601 1.00 0.95 H new ATOM 0 HD1 PHE A 16 7.822 -7.039 4.406 1.00 2.12 H new ATOM 0 HD2 PHE A 16 5.164 -4.386 2.309 1.00 1.53 H new ATOM 0 HE1 PHE A 16 9.333 -7.053 2.447 1.00 2.12 H new ATOM 0 HE2 PHE A 16 6.782 -4.244 0.434 1.00 1.53 H new ATOM 0 HZ PHE A 16 8.846 -5.643 0.458 1.00 0.94 H new ATOM 254 N HIS A 17 5.496 -8.669 6.280 1.00 1.19 N ATOM 255 CA HIS A 17 6.148 -9.978 6.470 1.00 1.21 C ATOM 256 C HIS A 17 5.278 -11.188 6.068 1.00 1.10 C ATOM 257 O HIS A 17 5.833 -12.209 5.678 1.00 1.09 O ATOM 258 CB HIS A 17 6.680 -10.139 7.904 1.00 1.53 C ATOM 259 CG HIS A 17 8.150 -9.817 8.021 1.00 1.11 C ATOM 260 ND1 HIS A 17 8.702 -8.567 8.143 1.00 2.95 N ATOM 261 CD2 HIS A 17 9.188 -10.712 7.998 1.00 1.48 C ATOM 262 CE1 HIS A 17 10.041 -8.702 8.192 1.00 3.63 C ATOM 263 NE2 HIS A 17 10.387 -10.000 8.117 1.00 2.18 N ATOM 0 H HIS A 17 5.304 -8.165 7.146 1.00 1.19 H new ATOM 0 HA HIS A 17 6.990 -9.977 5.777 1.00 1.21 H new ATOM 0 HB2 HIS A 17 6.116 -9.488 8.571 1.00 1.53 H new ATOM 0 HB3 HIS A 17 6.509 -11.163 8.238 1.00 1.53 H new ATOM 0 HD1 HIS A 17 8.187 -7.688 8.189 1.00 2.95 H new ATOM 0 HD2 HIS A 17 9.096 -11.784 7.904 1.00 1.48 H new ATOM 0 HE1 HIS A 17 10.739 -7.883 8.279 1.00 3.63 H new ATOM 272 N LYS A 18 3.943 -11.090 6.067 1.00 1.18 N ATOM 273 CA LYS A 18 3.056 -12.131 5.496 1.00 1.32 C ATOM 274 C LYS A 18 3.314 -12.290 3.992 1.00 1.09 C ATOM 275 O LYS A 18 3.405 -13.398 3.470 1.00 1.62 O ATOM 276 CB LYS A 18 1.594 -11.711 5.779 1.00 1.65 C ATOM 277 CG LYS A 18 0.396 -12.559 5.285 1.00 2.78 C ATOM 278 CD LYS A 18 0.333 -12.943 3.784 1.00 4.03 C ATOM 279 CE LYS A 18 -1.091 -13.244 3.284 1.00 5.02 C ATOM 280 NZ LYS A 18 -1.174 -13.417 1.803 1.00 7.08 N ATOM 0 H LYS A 18 3.441 -10.293 6.459 1.00 1.18 H new ATOM 0 HA LYS A 18 3.254 -13.100 5.955 1.00 1.32 H new ATOM 0 HB2 LYS A 18 1.494 -11.622 6.861 1.00 1.65 H new ATOM 0 HB3 LYS A 18 1.466 -10.711 5.364 1.00 1.65 H new ATOM 0 HG2 LYS A 18 0.381 -13.482 5.865 1.00 2.78 H new ATOM 0 HG3 LYS A 18 -0.517 -12.016 5.527 1.00 2.78 H new ATOM 0 HD2 LYS A 18 0.753 -12.130 3.192 1.00 4.03 H new ATOM 0 HD3 LYS A 18 0.961 -13.818 3.615 1.00 4.03 H new ATOM 0 HE2 LYS A 18 -1.455 -14.150 3.769 1.00 5.02 H new ATOM 0 HE3 LYS A 18 -1.753 -12.433 3.586 1.00 5.02 H new ATOM 0 HZ1 LYS A 18 -1.680 -12.609 1.387 1.00 7.08 H new ATOM 0 HZ2 LYS A 18 -0.214 -13.467 1.405 1.00 7.08 H new ATOM 0 HZ3 LYS A 18 -1.685 -14.296 1.584 1.00 7.08 H new ATOM 294 N TYR A 19 3.355 -11.163 3.285 1.00 0.66 N ATOM 295 CA TYR A 19 3.298 -11.100 1.821 1.00 0.73 C ATOM 296 C TYR A 19 4.679 -11.234 1.196 1.00 0.80 C ATOM 297 O TYR A 19 4.827 -11.878 0.169 1.00 1.24 O ATOM 298 CB TYR A 19 2.613 -9.790 1.431 1.00 0.72 C ATOM 299 CG TYR A 19 1.159 -9.800 1.837 1.00 0.69 C ATOM 300 CD1 TYR A 19 0.776 -9.410 3.125 1.00 1.91 C ATOM 301 CD2 TYR A 19 0.180 -10.274 0.955 1.00 1.95 C ATOM 302 CE1 TYR A 19 -0.561 -9.496 3.554 1.00 1.87 C ATOM 303 CE2 TYR A 19 -1.140 -10.405 1.381 1.00 2.00 C ATOM 304 CZ TYR A 19 -1.517 -10.055 2.692 1.00 0.64 C ATOM 305 OH TYR A 19 -2.763 -10.348 3.137 1.00 0.73 O ATOM 0 H TYR A 19 3.431 -10.244 3.722 1.00 0.66 H new ATOM 0 HA TYR A 19 2.721 -11.941 1.436 1.00 0.73 H new ATOM 0 HB2 TYR A 19 3.122 -8.953 1.908 1.00 0.72 H new ATOM 0 HB3 TYR A 19 2.693 -9.640 0.354 1.00 0.72 H new ATOM 0 HD1 TYR A 19 1.525 -9.034 3.806 1.00 1.91 H new ATOM 0 HD2 TYR A 19 0.449 -10.538 -0.057 1.00 1.95 H new ATOM 0 HE1 TYR A 19 -0.847 -9.137 4.532 1.00 1.87 H new ATOM 0 HE2 TYR A 19 -1.885 -10.781 0.696 1.00 2.00 H new ATOM 0 HH TYR A 19 -3.171 -11.018 2.550 1.00 0.73 H new ATOM 315 N SER A 20 5.693 -10.677 1.854 1.00 0.70 N ATOM 316 CA SER A 20 7.110 -10.807 1.505 1.00 0.75 C ATOM 317 C SER A 20 7.744 -12.135 1.960 1.00 0.86 C ATOM 318 O SER A 20 8.604 -12.669 1.259 1.00 1.45 O ATOM 319 CB SER A 20 7.815 -9.613 2.148 1.00 0.83 C ATOM 320 OG SER A 20 9.206 -9.600 1.943 1.00 1.84 O ATOM 0 H SER A 20 5.546 -10.098 2.680 1.00 0.70 H new ATOM 0 HA SER A 20 7.217 -10.816 0.420 1.00 0.75 H new ATOM 0 HB2 SER A 20 7.389 -8.693 1.748 1.00 0.83 H new ATOM 0 HB3 SER A 20 7.615 -9.618 3.219 1.00 0.83 H new ATOM 0 HG SER A 20 9.401 -9.812 1.006 1.00 1.84 H new ATOM 326 N GLY A 21 7.289 -12.718 3.084 1.00 0.98 N ATOM 327 CA GLY A 21 7.839 -13.931 3.726 1.00 1.20 C ATOM 328 C GLY A 21 7.549 -15.249 2.996 1.00 1.52 C ATOM 329 O GLY A 21 7.314 -16.273 3.632 1.00 2.03 O ATOM 0 H GLY A 21 6.491 -12.341 3.595 1.00 0.98 H new ATOM 0 HA2 GLY A 21 8.919 -13.816 3.817 1.00 1.20 H new ATOM 0 HA3 GLY A 21 7.439 -14.000 4.738 1.00 1.20 H new ATOM 332 N ARG A 22 7.563 -15.191 1.666 1.00 1.84 N ATOM 333 CA ARG A 22 7.200 -16.232 0.690 1.00 2.44 C ATOM 334 C ARG A 22 7.584 -15.867 -0.766 1.00 3.19 C ATOM 335 O ARG A 22 7.165 -16.571 -1.677 1.00 4.24 O ATOM 336 CB ARG A 22 5.705 -16.601 0.852 1.00 1.93 C ATOM 337 CG ARG A 22 4.718 -15.420 0.736 1.00 2.00 C ATOM 338 CD ARG A 22 4.188 -15.176 -0.682 1.00 2.50 C ATOM 339 NE ARG A 22 3.013 -16.021 -0.979 1.00 2.45 N ATOM 340 CZ ARG A 22 2.148 -15.725 -1.945 1.00 2.86 C ATOM 341 NH1 ARG A 22 2.484 -15.043 -3.015 1.00 3.57 N ATOM 342 NH2 ARG A 22 0.886 -16.040 -1.828 1.00 3.43 N ATOM 0 H ARG A 22 7.856 -14.336 1.194 1.00 1.84 H new ATOM 0 HA ARG A 22 7.794 -17.120 0.907 1.00 2.44 H new ATOM 0 HB2 ARG A 22 5.447 -17.344 0.097 1.00 1.93 H new ATOM 0 HB3 ARG A 22 5.568 -17.074 1.825 1.00 1.93 H new ATOM 0 HG2 ARG A 22 3.873 -15.601 1.401 1.00 2.00 H new ATOM 0 HG3 ARG A 22 5.211 -14.514 1.088 1.00 2.00 H new ATOM 0 HD2 ARG A 22 3.919 -14.126 -0.794 1.00 2.50 H new ATOM 0 HD3 ARG A 22 4.977 -15.382 -1.406 1.00 2.50 H new ATOM 0 HE ARG A 22 2.860 -16.862 -0.423 1.00 2.45 H new ATOM 0 HH11 ARG A 22 3.443 -14.716 -3.131 1.00 3.57 H new ATOM 0 HH12 ARG A 22 1.786 -14.840 -3.730 1.00 3.57 H new ATOM 0 HH21 ARG A 22 0.555 -16.518 -0.990 1.00 3.43 H new ATOM 0 HH22 ARG A 22 0.231 -15.808 -2.575 1.00 3.43 H new ATOM 356 N GLU A 23 8.314 -14.766 -0.991 1.00 3.07 N ATOM 357 CA GLU A 23 8.675 -14.250 -2.325 1.00 4.15 C ATOM 358 C GLU A 23 10.219 -14.287 -2.474 1.00 3.82 C ATOM 359 O GLU A 23 10.848 -15.228 -1.986 1.00 3.64 O ATOM 360 CB GLU A 23 8.076 -12.838 -2.512 1.00 4.99 C ATOM 361 CG GLU A 23 6.566 -12.696 -2.238 1.00 5.97 C ATOM 362 CD GLU A 23 5.626 -12.888 -3.432 1.00 6.47 C ATOM 363 OE1 GLU A 23 5.550 -11.992 -4.308 1.00 7.46 O ATOM 364 OE2 GLU A 23 4.875 -13.884 -3.402 1.00 6.37 O ATOM 0 H GLU A 23 8.681 -14.192 -0.232 1.00 3.07 H new ATOM 0 HA GLU A 23 8.257 -14.872 -3.117 1.00 4.15 H new ATOM 0 HB2 GLU A 23 8.609 -12.150 -1.856 1.00 4.99 H new ATOM 0 HB3 GLU A 23 8.270 -12.517 -3.535 1.00 4.99 H new ATOM 0 HG2 GLU A 23 6.291 -13.418 -1.470 1.00 5.97 H new ATOM 0 HG3 GLU A 23 6.388 -11.704 -1.822 1.00 5.97 H new ATOM 371 N GLY A 24 10.856 -13.295 -3.122 1.00 4.22 N ATOM 372 CA GLY A 24 12.308 -13.302 -3.402 1.00 4.12 C ATOM 373 C GLY A 24 13.204 -13.040 -2.182 1.00 3.04 C ATOM 374 O GLY A 24 14.362 -13.457 -2.153 1.00 3.73 O ATOM 0 H GLY A 24 10.379 -12.462 -3.468 1.00 4.22 H new ATOM 0 HA2 GLY A 24 12.576 -14.268 -3.830 1.00 4.12 H new ATOM 0 HA3 GLY A 24 12.521 -12.547 -4.159 1.00 4.12 H new ATOM 377 N SER A 25 12.662 -12.392 -1.150 1.00 1.99 N ATOM 378 CA SER A 25 13.318 -12.065 0.119 1.00 1.22 C ATOM 379 C SER A 25 12.331 -11.426 1.109 1.00 1.11 C ATOM 380 O SER A 25 11.369 -10.790 0.705 1.00 1.58 O ATOM 381 CB SER A 25 14.519 -11.128 -0.100 1.00 2.27 C ATOM 382 OG SER A 25 15.185 -10.875 1.127 1.00 3.63 O ATOM 0 H SER A 25 11.697 -12.062 -1.178 1.00 1.99 H new ATOM 0 HA SER A 25 13.679 -13.001 0.544 1.00 1.22 H new ATOM 0 HB2 SER A 25 15.213 -11.577 -0.811 1.00 2.27 H new ATOM 0 HB3 SER A 25 14.179 -10.189 -0.536 1.00 2.27 H new ATOM 0 HG SER A 25 15.947 -10.279 0.969 1.00 3.63 H new ATOM 388 N LYS A 26 12.589 -11.512 2.421 1.00 1.06 N ATOM 389 CA LYS A 26 11.698 -11.039 3.505 1.00 1.12 C ATOM 390 C LYS A 26 11.549 -9.499 3.636 1.00 1.13 C ATOM 391 O LYS A 26 10.946 -9.000 4.587 1.00 1.33 O ATOM 392 CB LYS A 26 12.157 -11.710 4.817 1.00 1.42 C ATOM 393 CG LYS A 26 13.573 -11.282 5.249 1.00 1.64 C ATOM 394 CD LYS A 26 14.162 -12.217 6.315 1.00 1.80 C ATOM 395 CE LYS A 26 13.376 -12.178 7.628 1.00 2.49 C ATOM 396 NZ LYS A 26 14.197 -12.735 8.724 1.00 3.17 N ATOM 0 H LYS A 26 13.451 -11.926 2.776 1.00 1.06 H new ATOM 0 HA LYS A 26 10.682 -11.340 3.249 1.00 1.12 H new ATOM 0 HB2 LYS A 26 11.451 -11.464 5.610 1.00 1.42 H new ATOM 0 HB3 LYS A 26 12.133 -12.793 4.693 1.00 1.42 H new ATOM 0 HG2 LYS A 26 14.228 -11.269 4.378 1.00 1.64 H new ATOM 0 HG3 LYS A 26 13.540 -10.265 5.639 1.00 1.64 H new ATOM 0 HD2 LYS A 26 14.173 -13.238 5.932 1.00 1.80 H new ATOM 0 HD3 LYS A 26 15.198 -11.937 6.507 1.00 1.80 H new ATOM 0 HE2 LYS A 26 13.091 -11.152 7.861 1.00 2.49 H new ATOM 0 HE3 LYS A 26 12.453 -12.750 7.527 1.00 2.49 H new ATOM 0 HZ1 LYS A 26 13.657 -12.705 9.612 1.00 3.17 H new ATOM 0 HZ2 LYS A 26 14.447 -13.720 8.504 1.00 3.17 H new ATOM 0 HZ3 LYS A 26 15.065 -12.172 8.828 1.00 3.17 H new ATOM 410 N LEU A 27 12.127 -8.754 2.689 1.00 1.07 N ATOM 411 CA LEU A 27 11.996 -7.300 2.513 1.00 1.18 C ATOM 412 C LEU A 27 11.567 -6.901 1.084 1.00 0.92 C ATOM 413 O LEU A 27 11.495 -5.699 0.808 1.00 0.93 O ATOM 414 CB LEU A 27 13.315 -6.626 2.922 1.00 1.65 C ATOM 415 CG LEU A 27 13.627 -6.749 4.426 1.00 3.06 C ATOM 416 CD1 LEU A 27 15.024 -6.176 4.650 1.00 3.39 C ATOM 417 CD2 LEU A 27 12.631 -6.005 5.332 1.00 4.15 C ATOM 0 H LEU A 27 12.734 -9.171 1.983 1.00 1.07 H new ATOM 0 HA LEU A 27 11.192 -6.950 3.160 1.00 1.18 H new ATOM 0 HB2 LEU A 27 14.132 -7.068 2.352 1.00 1.65 H new ATOM 0 HB3 LEU A 27 13.273 -5.571 2.653 1.00 1.65 H new ATOM 0 HG LEU A 27 13.554 -7.803 4.696 1.00 3.06 H new ATOM 0 HD11 LEU A 27 15.281 -6.246 5.707 1.00 3.39 H new ATOM 0 HD12 LEU A 27 15.748 -6.741 4.063 1.00 3.39 H new ATOM 0 HD13 LEU A 27 15.043 -5.131 4.341 1.00 3.39 H new ATOM 0 HD21 LEU A 27 12.918 -6.139 6.375 1.00 4.15 H new ATOM 0 HD22 LEU A 27 12.639 -4.943 5.087 1.00 4.15 H new ATOM 0 HD23 LEU A 27 11.629 -6.405 5.177 1.00 4.15 H new ATOM 429 N THR A 28 11.267 -7.889 0.224 1.00 0.84 N ATOM 430 CA THR A 28 10.769 -7.734 -1.155 1.00 0.75 C ATOM 431 C THR A 28 9.535 -8.592 -1.482 1.00 0.66 C ATOM 432 O THR A 28 9.172 -9.477 -0.705 1.00 0.79 O ATOM 433 CB THR A 28 11.870 -8.017 -2.189 1.00 0.90 C ATOM 434 OG1 THR A 28 12.241 -9.378 -2.184 1.00 0.92 O ATOM 435 CG2 THR A 28 13.134 -7.184 -1.983 1.00 1.27 C ATOM 0 H THR A 28 11.371 -8.870 0.485 1.00 0.84 H new ATOM 0 HA THR A 28 10.459 -6.691 -1.216 1.00 0.75 H new ATOM 0 HB THR A 28 11.429 -7.739 -3.146 1.00 0.90 H new ATOM 0 HG1 THR A 28 12.394 -9.679 -3.104 1.00 0.92 H new ATOM 0 HG21 THR A 28 13.866 -7.438 -2.750 1.00 1.27 H new ATOM 0 HG22 THR A 28 12.887 -6.125 -2.054 1.00 1.27 H new ATOM 0 HG23 THR A 28 13.552 -7.394 -0.998 1.00 1.27 H new ATOM 443 N LEU A 29 8.899 -8.347 -2.637 1.00 0.67 N ATOM 444 CA LEU A 29 7.745 -9.110 -3.172 1.00 0.68 C ATOM 445 C LEU A 29 7.395 -8.787 -4.631 1.00 0.74 C ATOM 446 O LEU A 29 7.912 -7.827 -5.194 1.00 0.84 O ATOM 447 CB LEU A 29 6.483 -9.034 -2.274 1.00 0.69 C ATOM 448 CG LEU A 29 5.716 -7.703 -2.173 1.00 0.79 C ATOM 449 CD1 LEU A 29 4.394 -7.972 -1.442 1.00 0.82 C ATOM 450 CD2 LEU A 29 6.474 -6.649 -1.371 1.00 0.98 C ATOM 0 H LEU A 29 9.180 -7.584 -3.253 1.00 0.67 H new ATOM 0 HA LEU A 29 8.097 -10.142 -3.158 1.00 0.68 H new ATOM 0 HB2 LEU A 29 5.783 -9.791 -2.627 1.00 0.69 H new ATOM 0 HB3 LEU A 29 6.780 -9.320 -1.265 1.00 0.69 H new ATOM 0 HG LEU A 29 5.572 -7.325 -3.185 1.00 0.79 H new ATOM 0 HD11 LEU A 29 3.830 -7.043 -1.357 1.00 0.82 H new ATOM 0 HD12 LEU A 29 3.810 -8.701 -2.003 1.00 0.82 H new ATOM 0 HD13 LEU A 29 4.602 -8.363 -0.446 1.00 0.82 H new ATOM 0 HD21 LEU A 29 5.888 -5.731 -1.331 1.00 0.98 H new ATOM 0 HD22 LEU A 29 6.644 -7.015 -0.358 1.00 0.98 H new ATOM 0 HD23 LEU A 29 7.432 -6.447 -1.849 1.00 0.98 H new ATOM 462 N SER A 30 6.477 -9.549 -5.231 1.00 0.76 N ATOM 463 CA SER A 30 5.845 -9.260 -6.522 1.00 0.75 C ATOM 464 C SER A 30 4.759 -8.179 -6.417 1.00 0.77 C ATOM 465 O SER A 30 4.055 -8.074 -5.401 1.00 0.81 O ATOM 466 CB SER A 30 5.194 -10.534 -7.088 1.00 0.84 C ATOM 467 OG SER A 30 4.135 -10.988 -6.251 1.00 1.43 O ATOM 0 H SER A 30 6.140 -10.418 -4.815 1.00 0.76 H new ATOM 0 HA SER A 30 6.635 -8.897 -7.179 1.00 0.75 H new ATOM 0 HB2 SER A 30 4.810 -10.335 -8.089 1.00 0.84 H new ATOM 0 HB3 SER A 30 5.946 -11.317 -7.185 1.00 0.84 H new ATOM 0 HG SER A 30 4.460 -11.712 -5.676 1.00 1.43 H new ATOM 473 N ARG A 31 4.504 -7.433 -7.506 1.00 0.81 N ATOM 474 CA ARG A 31 3.335 -6.534 -7.548 1.00 0.81 C ATOM 475 C ARG A 31 1.988 -7.304 -7.551 1.00 0.68 C ATOM 476 O ARG A 31 0.928 -6.674 -7.504 1.00 0.82 O ATOM 477 CB ARG A 31 3.339 -5.535 -8.720 1.00 1.24 C ATOM 478 CG ARG A 31 4.649 -5.086 -9.384 1.00 1.48 C ATOM 479 CD ARG A 31 5.564 -4.193 -8.562 1.00 2.08 C ATOM 480 NE ARG A 31 4.997 -2.868 -8.223 1.00 2.64 N ATOM 481 CZ ARG A 31 5.614 -1.685 -8.306 1.00 2.85 C ATOM 482 NH1 ARG A 31 6.774 -1.517 -8.905 1.00 2.87 N ATOM 483 NH2 ARG A 31 5.102 -0.613 -7.746 1.00 3.67 N ATOM 0 H ARG A 31 5.076 -7.432 -8.351 1.00 0.81 H new ATOM 0 HA ARG A 31 3.427 -5.960 -6.626 1.00 0.81 H new ATOM 0 HB2 ARG A 31 2.716 -5.964 -9.505 1.00 1.24 H new ATOM 0 HB3 ARG A 31 2.835 -4.634 -8.370 1.00 1.24 H new ATOM 0 HG2 ARG A 31 5.209 -5.977 -9.667 1.00 1.48 H new ATOM 0 HG3 ARG A 31 4.400 -4.560 -10.306 1.00 1.48 H new ATOM 0 HD2 ARG A 31 5.819 -4.711 -7.637 1.00 2.08 H new ATOM 0 HD3 ARG A 31 6.494 -4.045 -9.111 1.00 2.08 H new ATOM 0 HE ARG A 31 4.033 -2.857 -7.891 1.00 2.64 H new ATOM 0 HH11 ARG A 31 7.246 -2.313 -9.335 1.00 2.87 H new ATOM 0 HH12 ARG A 31 7.201 -0.591 -8.939 1.00 2.87 H new ATOM 0 HH21 ARG A 31 4.220 -0.675 -7.238 1.00 3.67 H new ATOM 0 HH22 ARG A 31 5.587 0.282 -7.819 1.00 3.67 H new ATOM 497 N LYS A 32 1.997 -8.639 -7.668 1.00 0.79 N ATOM 498 CA LYS A 32 0.802 -9.492 -7.574 1.00 0.81 C ATOM 499 C LYS A 32 0.400 -9.788 -6.115 1.00 0.79 C ATOM 500 O LYS A 32 -0.714 -9.438 -5.728 1.00 0.84 O ATOM 501 CB LYS A 32 1.012 -10.774 -8.428 1.00 0.95 C ATOM 502 CG LYS A 32 -0.224 -11.153 -9.273 1.00 1.35 C ATOM 503 CD LYS A 32 -0.172 -10.625 -10.721 1.00 2.51 C ATOM 504 CE LYS A 32 0.610 -11.578 -11.646 1.00 3.65 C ATOM 505 NZ LYS A 32 0.967 -10.973 -12.953 1.00 4.92 N ATOM 0 H LYS A 32 2.853 -9.168 -7.834 1.00 0.79 H new ATOM 0 HA LYS A 32 -0.049 -8.951 -7.987 1.00 0.81 H new ATOM 0 HB2 LYS A 32 1.865 -10.626 -9.090 1.00 0.95 H new ATOM 0 HB3 LYS A 32 1.262 -11.605 -7.768 1.00 0.95 H new ATOM 0 HG2 LYS A 32 -0.319 -12.239 -9.295 1.00 1.35 H new ATOM 0 HG3 LYS A 32 -1.119 -10.765 -8.786 1.00 1.35 H new ATOM 0 HD2 LYS A 32 -1.186 -10.501 -11.100 1.00 2.51 H new ATOM 0 HD3 LYS A 32 0.296 -9.641 -10.733 1.00 2.51 H new ATOM 0 HE2 LYS A 32 1.522 -11.896 -11.140 1.00 3.65 H new ATOM 0 HE3 LYS A 32 0.014 -12.474 -11.820 1.00 3.65 H new ATOM 0 HZ1 LYS A 32 1.741 -11.515 -13.387 1.00 4.92 H new ATOM 0 HZ2 LYS A 32 0.138 -10.990 -13.581 1.00 4.92 H new ATOM 0 HZ3 LYS A 32 1.272 -9.989 -12.808 1.00 4.92 H new ATOM 519 N GLU A 33 1.297 -10.344 -5.294 1.00 0.84 N ATOM 520 CA GLU A 33 1.012 -10.597 -3.870 1.00 0.88 C ATOM 521 C GLU A 33 0.816 -9.276 -3.090 1.00 0.89 C ATOM 522 O GLU A 33 -0.089 -9.168 -2.257 1.00 0.92 O ATOM 523 CB GLU A 33 2.143 -11.479 -3.321 1.00 1.00 C ATOM 524 CG GLU A 33 1.970 -11.970 -1.878 1.00 1.42 C ATOM 525 CD GLU A 33 0.729 -12.844 -1.588 1.00 2.08 C ATOM 526 OE1 GLU A 33 0.149 -13.413 -2.544 1.00 2.45 O ATOM 527 OE2 GLU A 33 0.415 -13.057 -0.388 1.00 3.41 O ATOM 0 H GLU A 33 2.231 -10.630 -5.589 1.00 0.84 H new ATOM 0 HA GLU A 33 0.068 -11.128 -3.748 1.00 0.88 H new ATOM 0 HB2 GLU A 33 2.247 -12.348 -3.970 1.00 1.00 H new ATOM 0 HB3 GLU A 33 3.077 -10.920 -3.385 1.00 1.00 H new ATOM 0 HG2 GLU A 33 2.859 -12.538 -1.603 1.00 1.42 H new ATOM 0 HG3 GLU A 33 1.933 -11.099 -1.224 1.00 1.42 H new ATOM 534 N LEU A 34 1.557 -8.217 -3.462 1.00 0.89 N ATOM 535 CA LEU A 34 1.359 -6.831 -2.998 1.00 0.87 C ATOM 536 C LEU A 34 -0.088 -6.337 -3.118 1.00 0.86 C ATOM 537 O LEU A 34 -0.540 -5.538 -2.302 1.00 0.74 O ATOM 538 CB LEU A 34 2.259 -5.932 -3.867 1.00 0.93 C ATOM 539 CG LEU A 34 2.162 -4.409 -3.631 1.00 1.01 C ATOM 540 CD1 LEU A 34 2.723 -4.020 -2.257 1.00 1.19 C ATOM 541 CD2 LEU A 34 2.906 -3.678 -4.758 1.00 1.35 C ATOM 0 H LEU A 34 2.336 -8.305 -4.115 1.00 0.89 H new ATOM 0 HA LEU A 34 1.608 -6.793 -1.938 1.00 0.87 H new ATOM 0 HB2 LEU A 34 3.294 -6.234 -3.709 1.00 0.93 H new ATOM 0 HB3 LEU A 34 2.026 -6.129 -4.913 1.00 0.93 H new ATOM 0 HG LEU A 34 1.113 -4.114 -3.641 1.00 1.01 H new ATOM 0 HD11 LEU A 34 2.640 -2.942 -2.122 1.00 1.19 H new ATOM 0 HD12 LEU A 34 2.157 -4.528 -1.476 1.00 1.19 H new ATOM 0 HD13 LEU A 34 3.771 -4.314 -2.195 1.00 1.19 H new ATOM 0 HD21 LEU A 34 2.842 -2.602 -4.598 1.00 1.35 H new ATOM 0 HD22 LEU A 34 3.953 -3.983 -4.760 1.00 1.35 H new ATOM 0 HD23 LEU A 34 2.452 -3.930 -5.717 1.00 1.35 H new ATOM 553 N LYS A 35 -0.819 -6.744 -4.159 1.00 1.06 N ATOM 554 CA LYS A 35 -2.173 -6.236 -4.372 1.00 1.03 C ATOM 555 C LYS A 35 -3.184 -6.871 -3.404 1.00 1.00 C ATOM 556 O LYS A 35 -4.134 -6.191 -3.015 1.00 1.03 O ATOM 557 CB LYS A 35 -2.544 -6.304 -5.863 1.00 1.03 C ATOM 558 CG LYS A 35 -3.475 -7.465 -6.231 1.00 1.84 C ATOM 559 CD LYS A 35 -3.964 -7.415 -7.678 1.00 1.35 C ATOM 560 CE LYS A 35 -2.856 -7.154 -8.709 1.00 2.64 C ATOM 561 NZ LYS A 35 -3.397 -7.018 -10.078 1.00 3.49 N ATOM 0 H LYS A 35 -0.500 -7.415 -4.858 1.00 1.06 H new ATOM 0 HA LYS A 35 -2.209 -5.177 -4.117 1.00 1.03 H new ATOM 0 HB2 LYS A 35 -3.021 -5.367 -6.149 1.00 1.03 H new ATOM 0 HB3 LYS A 35 -1.629 -6.388 -6.449 1.00 1.03 H new ATOM 0 HG2 LYS A 35 -2.953 -8.407 -6.064 1.00 1.84 H new ATOM 0 HG3 LYS A 35 -4.337 -7.456 -5.563 1.00 1.84 H new ATOM 0 HD2 LYS A 35 -4.452 -8.360 -7.917 1.00 1.35 H new ATOM 0 HD3 LYS A 35 -4.719 -6.634 -7.768 1.00 1.35 H new ATOM 0 HE2 LYS A 35 -2.317 -6.246 -8.440 1.00 2.64 H new ATOM 0 HE3 LYS A 35 -2.136 -7.972 -8.683 1.00 2.64 H new ATOM 0 HZ1 LYS A 35 -2.682 -7.329 -10.766 1.00 3.49 H new ATOM 0 HZ2 LYS A 35 -4.249 -7.606 -10.174 1.00 3.49 H new ATOM 0 HZ3 LYS A 35 -3.641 -6.023 -10.258 1.00 3.49 H new ATOM 575 N GLU A 36 -2.964 -8.124 -2.984 1.00 1.01 N ATOM 576 CA GLU A 36 -3.668 -8.652 -1.814 1.00 1.12 C ATOM 577 C GLU A 36 -3.303 -7.855 -0.556 1.00 0.97 C ATOM 578 O GLU A 36 -4.237 -7.470 0.142 1.00 1.16 O ATOM 579 CB GLU A 36 -3.481 -10.169 -1.575 1.00 1.51 C ATOM 580 CG GLU A 36 -4.302 -10.520 -0.311 1.00 2.19 C ATOM 581 CD GLU A 36 -4.335 -11.953 0.200 1.00 3.72 C ATOM 582 OE1 GLU A 36 -5.304 -12.645 -0.160 1.00 4.21 O ATOM 583 OE2 GLU A 36 -3.628 -12.252 1.196 1.00 5.29 O ATOM 0 H GLU A 36 -2.318 -8.777 -3.428 1.00 1.01 H new ATOM 0 HA GLU A 36 -4.728 -8.526 -2.036 1.00 1.12 H new ATOM 0 HB2 GLU A 36 -3.828 -10.743 -2.434 1.00 1.51 H new ATOM 0 HB3 GLU A 36 -2.428 -10.412 -1.433 1.00 1.51 H new ATOM 0 HG2 GLU A 36 -3.931 -9.895 0.501 1.00 2.19 H new ATOM 0 HG3 GLU A 36 -5.333 -10.219 -0.500 1.00 2.19 H new ATOM 590 N LEU A 37 -2.009 -7.622 -0.263 1.00 0.82 N ATOM 591 CA LEU A 37 -1.577 -6.949 0.973 1.00 0.90 C ATOM 592 C LEU A 37 -2.425 -5.712 1.239 1.00 0.94 C ATOM 593 O LEU A 37 -3.136 -5.647 2.240 1.00 0.97 O ATOM 594 CB LEU A 37 -0.067 -6.622 0.886 1.00 0.85 C ATOM 595 CG LEU A 37 0.541 -5.721 1.986 1.00 0.97 C ATOM 596 CD1 LEU A 37 0.516 -6.251 3.420 1.00 1.28 C ATOM 597 CD2 LEU A 37 2.009 -5.434 1.638 1.00 1.53 C ATOM 0 H LEU A 37 -1.239 -7.894 -0.874 1.00 0.82 H new ATOM 0 HA LEU A 37 -1.725 -7.616 1.822 1.00 0.90 H new ATOM 0 HB2 LEU A 37 0.480 -7.565 0.885 1.00 0.85 H new ATOM 0 HB3 LEU A 37 0.117 -6.146 -0.077 1.00 0.85 H new ATOM 0 HG LEU A 37 -0.105 -4.843 1.986 1.00 0.97 H new ATOM 0 HD11 LEU A 37 0.973 -5.520 4.086 1.00 1.28 H new ATOM 0 HD12 LEU A 37 -0.516 -6.425 3.726 1.00 1.28 H new ATOM 0 HD13 LEU A 37 1.073 -7.187 3.472 1.00 1.28 H new ATOM 0 HD21 LEU A 37 2.448 -4.799 2.408 1.00 1.53 H new ATOM 0 HD22 LEU A 37 2.560 -6.373 1.584 1.00 1.53 H new ATOM 0 HD23 LEU A 37 2.062 -4.926 0.675 1.00 1.53 H new ATOM 609 N ILE A 38 -2.444 -4.796 0.277 1.00 0.94 N ATOM 610 CA ILE A 38 -3.068 -3.474 0.404 1.00 1.10 C ATOM 611 C ILE A 38 -4.599 -3.555 0.584 1.00 1.23 C ATOM 612 O ILE A 38 -5.164 -2.799 1.373 1.00 1.54 O ATOM 613 CB ILE A 38 -2.608 -2.629 -0.805 1.00 1.06 C ATOM 614 CG1 ILE A 38 -1.080 -2.384 -0.679 1.00 1.12 C ATOM 615 CG2 ILE A 38 -3.409 -1.321 -0.928 1.00 1.15 C ATOM 616 CD1 ILE A 38 -0.442 -1.673 -1.872 1.00 1.16 C ATOM 0 H ILE A 38 -2.017 -4.951 -0.636 1.00 0.94 H new ATOM 0 HA ILE A 38 -2.741 -2.980 1.319 1.00 1.10 H new ATOM 0 HB ILE A 38 -2.804 -3.173 -1.729 1.00 1.06 H new ATOM 0 HG12 ILE A 38 -0.894 -1.794 0.219 1.00 1.12 H new ATOM 0 HG13 ILE A 38 -0.583 -3.344 -0.538 1.00 1.12 H new ATOM 0 HG21 ILE A 38 -3.054 -0.757 -1.790 1.00 1.15 H new ATOM 0 HG22 ILE A 38 -4.466 -1.553 -1.056 1.00 1.15 H new ATOM 0 HG23 ILE A 38 -3.275 -0.726 -0.025 1.00 1.15 H new ATOM 0 HD11 ILE A 38 0.626 -1.547 -1.692 1.00 1.16 H new ATOM 0 HD12 ILE A 38 -0.590 -2.269 -2.773 1.00 1.16 H new ATOM 0 HD13 ILE A 38 -0.906 -0.695 -2.004 1.00 1.16 H new ATOM 628 N LYS A 39 -5.291 -4.490 -0.080 1.00 1.12 N ATOM 629 CA LYS A 39 -6.752 -4.616 0.049 1.00 1.28 C ATOM 630 C LYS A 39 -7.209 -5.364 1.313 1.00 1.47 C ATOM 631 O LYS A 39 -8.333 -5.151 1.776 1.00 2.00 O ATOM 632 CB LYS A 39 -7.337 -5.257 -1.230 1.00 1.25 C ATOM 633 CG LYS A 39 -8.152 -4.290 -2.109 1.00 1.32 C ATOM 634 CD LYS A 39 -9.279 -3.529 -1.385 1.00 2.08 C ATOM 635 CE LYS A 39 -10.267 -4.442 -0.639 1.00 3.00 C ATOM 636 NZ LYS A 39 -10.770 -3.796 0.591 1.00 4.27 N ATOM 0 H LYS A 39 -4.866 -5.169 -0.711 1.00 1.12 H new ATOM 0 HA LYS A 39 -7.145 -3.606 0.165 1.00 1.28 H new ATOM 0 HB2 LYS A 39 -6.520 -5.667 -1.823 1.00 1.25 H new ATOM 0 HB3 LYS A 39 -7.974 -6.094 -0.944 1.00 1.25 H new ATOM 0 HG2 LYS A 39 -7.470 -3.562 -2.548 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -8.589 -4.855 -2.932 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -8.835 -2.832 -0.674 1.00 2.08 H new ATOM 0 HD3 LYS A 39 -9.829 -2.934 -2.114 1.00 2.08 H new ATOM 0 HE2 LYS A 39 -11.104 -4.686 -1.293 1.00 3.00 H new ATOM 0 HE3 LYS A 39 -9.776 -5.382 -0.385 1.00 3.00 H new ATOM 0 HZ1 LYS A 39 -11.672 -4.232 0.868 1.00 4.27 H new ATOM 0 HZ2 LYS A 39 -10.077 -3.919 1.356 1.00 4.27 H new ATOM 0 HZ3 LYS A 39 -10.916 -2.781 0.416 1.00 4.27 H new ATOM 650 N LYS A 40 -6.356 -6.240 1.855 1.00 1.15 N ATOM 651 CA LYS A 40 -6.499 -6.875 3.171 1.00 1.43 C ATOM 652 C LYS A 40 -6.228 -5.876 4.307 1.00 1.61 C ATOM 653 O LYS A 40 -7.023 -5.755 5.236 1.00 1.96 O ATOM 654 CB LYS A 40 -5.476 -8.022 3.242 1.00 1.48 C ATOM 655 CG LYS A 40 -5.890 -9.300 2.501 1.00 1.63 C ATOM 656 CD LYS A 40 -6.707 -10.228 3.392 1.00 2.65 C ATOM 657 CE LYS A 40 -6.670 -11.708 2.959 1.00 3.05 C ATOM 658 NZ LYS A 40 -7.193 -11.968 1.592 1.00 2.89 N ATOM 0 H LYS A 40 -5.511 -6.539 1.368 1.00 1.15 H new ATOM 0 HA LYS A 40 -7.519 -7.241 3.292 1.00 1.43 H new ATOM 0 HB2 LYS A 40 -4.529 -7.671 2.832 1.00 1.48 H new ATOM 0 HB3 LYS A 40 -5.298 -8.267 4.289 1.00 1.48 H new ATOM 0 HG2 LYS A 40 -6.473 -9.036 1.618 1.00 1.63 H new ATOM 0 HG3 LYS A 40 -5.000 -9.822 2.151 1.00 1.63 H new ATOM 0 HD2 LYS A 40 -6.338 -10.150 4.415 1.00 2.65 H new ATOM 0 HD3 LYS A 40 -7.743 -9.888 3.400 1.00 2.65 H new ATOM 0 HE2 LYS A 40 -5.641 -12.063 3.013 1.00 3.05 H new ATOM 0 HE3 LYS A 40 -7.248 -12.296 3.672 1.00 3.05 H new ATOM 0 HZ1 LYS A 40 -8.097 -12.478 1.657 1.00 2.89 H new ATOM 0 HZ2 LYS A 40 -7.340 -11.064 1.099 1.00 2.89 H new ATOM 0 HZ3 LYS A 40 -6.508 -12.544 1.062 1.00 2.89 H new ATOM 672 N GLU A 41 -5.109 -5.172 4.200 1.00 1.48 N ATOM 673 CA GLU A 41 -4.689 -4.085 5.081 1.00 1.85 C ATOM 674 C GLU A 41 -5.672 -2.921 5.154 1.00 1.63 C ATOM 675 O GLU A 41 -5.776 -2.315 6.216 1.00 1.91 O ATOM 676 CB GLU A 41 -3.371 -3.492 4.588 1.00 2.54 C ATOM 677 CG GLU A 41 -2.154 -4.314 5.007 1.00 2.60 C ATOM 678 CD GLU A 41 -0.911 -3.465 4.796 1.00 4.46 C ATOM 679 OE1 GLU A 41 -0.796 -2.893 3.688 1.00 5.72 O ATOM 680 OE2 GLU A 41 -0.135 -3.353 5.770 1.00 5.23 O ATOM 0 H GLU A 41 -4.433 -5.352 3.458 1.00 1.48 H new ATOM 0 HA GLU A 41 -4.612 -4.543 6.067 1.00 1.85 H new ATOM 0 HB2 GLU A 41 -3.396 -3.418 3.501 1.00 2.54 H new ATOM 0 HB3 GLU A 41 -3.268 -2.478 4.974 1.00 2.54 H new ATOM 0 HG2 GLU A 41 -2.238 -4.612 6.052 1.00 2.60 H new ATOM 0 HG3 GLU A 41 -2.093 -5.230 4.419 1.00 2.60 H new ATOM 687 N LEU A 42 -6.367 -2.568 4.064 1.00 1.40 N ATOM 688 CA LEU A 42 -7.222 -1.385 4.055 1.00 1.42 C ATOM 689 C LEU A 42 -8.448 -1.515 3.136 1.00 1.57 C ATOM 690 O LEU A 42 -8.390 -1.933 1.978 1.00 1.97 O ATOM 691 CB LEU A 42 -6.359 -0.140 3.733 1.00 1.66 C ATOM 692 CG LEU A 42 -6.502 1.027 4.733 1.00 1.76 C ATOM 693 CD1 LEU A 42 -5.628 2.207 4.281 1.00 2.13 C ATOM 694 CD2 LEU A 42 -7.947 1.518 4.909 1.00 2.39 C ATOM 0 H LEU A 42 -6.351 -3.085 3.185 1.00 1.40 H new ATOM 0 HA LEU A 42 -7.652 -1.272 5.050 1.00 1.42 H new ATOM 0 HB2 LEU A 42 -5.312 -0.441 3.696 1.00 1.66 H new ATOM 0 HB3 LEU A 42 -6.622 0.219 2.738 1.00 1.66 H new ATOM 0 HG LEU A 42 -6.176 0.640 5.699 1.00 1.76 H new ATOM 0 HD11 LEU A 42 -5.732 3.029 4.989 1.00 2.13 H new ATOM 0 HD12 LEU A 42 -4.585 1.893 4.240 1.00 2.13 H new ATOM 0 HD13 LEU A 42 -5.946 2.538 3.292 1.00 2.13 H new ATOM 0 HD21 LEU A 42 -7.968 2.339 5.626 1.00 2.39 H new ATOM 0 HD22 LEU A 42 -8.333 1.864 3.950 1.00 2.39 H new ATOM 0 HD23 LEU A 42 -8.567 0.700 5.276 1.00 2.39 H new ATOM 706 N CYS A 43 -9.590 -1.082 3.660 1.00 1.68 N ATOM 707 CA CYS A 43 -10.861 -0.949 2.954 1.00 2.00 C ATOM 708 C CYS A 43 -10.893 0.280 2.022 1.00 2.39 C ATOM 709 O CYS A 43 -11.719 1.176 2.170 1.00 3.50 O ATOM 710 CB CYS A 43 -11.971 -0.988 4.006 1.00 2.60 C ATOM 711 SG CYS A 43 -12.260 -2.728 4.440 1.00 2.68 S ATOM 0 H CYS A 43 -9.658 -0.800 4.638 1.00 1.68 H new ATOM 0 HA CYS A 43 -11.012 -1.778 2.263 1.00 2.00 H new ATOM 0 HB2 CYS A 43 -11.682 -0.417 4.888 1.00 2.60 H new ATOM 0 HB3 CYS A 43 -12.883 -0.534 3.617 1.00 2.60 H new ATOM 0 HG CYS A 43 -13.199 -2.802 5.336 1.00 2.68 H new ATOM 774 N LYS A 48 -13.015 4.737 -1.834 1.00 1.93 N ATOM 775 CA LYS A 48 -12.590 5.326 -3.095 1.00 1.79 C ATOM 776 C LYS A 48 -12.580 4.259 -4.204 1.00 2.10 C ATOM 777 O LYS A 48 -12.121 3.146 -3.973 1.00 2.80 O ATOM 778 CB LYS A 48 -11.139 5.777 -2.850 1.00 2.06 C ATOM 779 CG LYS A 48 -11.013 7.278 -2.680 1.00 2.68 C ATOM 780 CD LYS A 48 -11.830 7.980 -1.588 1.00 3.41 C ATOM 781 CE LYS A 48 -11.582 7.371 -0.204 1.00 4.44 C ATOM 782 NZ LYS A 48 -12.297 8.128 0.850 1.00 5.77 N ATOM 0 HA LYS A 48 -13.251 6.136 -3.402 1.00 1.79 H new ATOM 0 HB2 LYS A 48 -10.754 5.281 -1.959 1.00 2.06 H new ATOM 0 HB3 LYS A 48 -10.517 5.457 -3.686 1.00 2.06 H new ATOM 0 HG2 LYS A 48 -9.962 7.500 -2.497 1.00 2.68 H new ATOM 0 HG3 LYS A 48 -11.275 7.739 -3.632 1.00 2.68 H new ATOM 0 HD2 LYS A 48 -11.575 9.039 -1.569 1.00 3.41 H new ATOM 0 HD3 LYS A 48 -12.891 7.912 -1.829 1.00 3.41 H new ATOM 0 HE2 LYS A 48 -11.912 6.332 -0.196 1.00 4.44 H new ATOM 0 HE3 LYS A 48 -10.513 7.368 0.009 1.00 4.44 H new ATOM 0 HZ1 LYS A 48 -12.111 7.693 1.776 1.00 5.77 H new ATOM 0 HZ2 LYS A 48 -11.964 9.113 0.857 1.00 5.77 H new ATOM 0 HZ3 LYS A 48 -13.319 8.110 0.658 1.00 5.77 H new ATOM 796 N GLU A 49 -13.014 4.608 -5.413 1.00 2.17 N ATOM 797 CA GLU A 49 -13.149 3.699 -6.562 1.00 2.61 C ATOM 798 C GLU A 49 -12.051 3.925 -7.627 1.00 2.18 C ATOM 799 O GLU A 49 -11.029 3.246 -7.606 1.00 2.77 O ATOM 800 CB GLU A 49 -14.589 3.727 -7.137 1.00 3.44 C ATOM 801 CG GLU A 49 -15.420 5.016 -6.961 1.00 3.90 C ATOM 802 CD GLU A 49 -14.661 6.261 -7.401 1.00 4.43 C ATOM 803 OE1 GLU A 49 -14.518 6.458 -8.627 1.00 5.14 O ATOM 804 OE2 GLU A 49 -14.045 6.886 -6.512 1.00 4.87 O ATOM 0 H GLU A 49 -13.293 5.564 -5.633 1.00 2.17 H new ATOM 0 HA GLU A 49 -12.985 2.684 -6.200 1.00 2.61 H new ATOM 0 HB2 GLU A 49 -14.525 3.515 -8.204 1.00 3.44 H new ATOM 0 HB3 GLU A 49 -15.145 2.908 -6.682 1.00 3.44 H new ATOM 0 HG2 GLU A 49 -16.341 4.933 -7.538 1.00 3.90 H new ATOM 0 HG3 GLU A 49 -15.707 5.120 -5.915 1.00 3.90 H new ATOM 811 N SER A 50 -12.224 4.836 -8.585 1.00 1.86 N ATOM 812 CA SER A 50 -11.524 4.827 -9.883 1.00 1.75 C ATOM 813 C SER A 50 -9.995 4.961 -9.794 1.00 1.74 C ATOM 814 O SER A 50 -9.270 4.506 -10.676 1.00 2.95 O ATOM 815 CB SER A 50 -12.069 5.975 -10.751 1.00 2.08 C ATOM 816 OG SER A 50 -13.476 5.906 -10.923 1.00 2.81 O ATOM 0 H SER A 50 -12.868 5.621 -8.484 1.00 1.86 H new ATOM 0 HA SER A 50 -11.717 3.847 -10.320 1.00 1.75 H new ATOM 0 HB2 SER A 50 -11.809 6.929 -10.292 1.00 2.08 H new ATOM 0 HB3 SER A 50 -11.585 5.949 -11.727 1.00 2.08 H new ATOM 0 HG SER A 50 -13.919 6.360 -10.176 1.00 2.81 H new ATOM 822 N SER A 51 -9.479 5.563 -8.724 1.00 1.86 N ATOM 823 CA SER A 51 -8.037 5.689 -8.490 1.00 1.99 C ATOM 824 C SER A 51 -7.392 4.437 -7.884 1.00 1.84 C ATOM 825 O SER A 51 -6.169 4.324 -7.945 1.00 2.10 O ATOM 826 CB SER A 51 -7.781 6.907 -7.591 1.00 2.47 C ATOM 827 OG SER A 51 -8.557 6.860 -6.400 1.00 3.83 O ATOM 0 H SER A 51 -10.051 5.980 -7.989 1.00 1.86 H new ATOM 0 HA SER A 51 -7.567 5.819 -9.465 1.00 1.99 H new ATOM 0 HB2 SER A 51 -6.723 6.952 -7.333 1.00 2.47 H new ATOM 0 HB3 SER A 51 -8.014 7.819 -8.140 1.00 2.47 H new ATOM 0 HG SER A 51 -8.365 7.651 -5.853 1.00 3.83 H new ATOM 833 N ILE A 52 -8.157 3.492 -7.317 1.00 1.71 N ATOM 834 CA ILE A 52 -7.608 2.188 -6.899 1.00 1.73 C ATOM 835 C ILE A 52 -7.479 1.233 -8.091 1.00 1.41 C ATOM 836 O ILE A 52 -6.583 0.391 -8.109 1.00 1.48 O ATOM 837 CB ILE A 52 -8.398 1.565 -5.710 1.00 2.08 C ATOM 838 CG1 ILE A 52 -9.655 0.740 -6.093 1.00 2.42 C ATOM 839 CG2 ILE A 52 -8.780 2.613 -4.642 1.00 2.36 C ATOM 840 CD1 ILE A 52 -9.384 -0.767 -6.172 1.00 2.53 C ATOM 0 H ILE A 52 -9.155 3.603 -7.137 1.00 1.71 H new ATOM 0 HA ILE A 52 -6.601 2.364 -6.522 1.00 1.73 H new ATOM 0 HB ILE A 52 -7.683 0.854 -5.296 1.00 2.08 H new ATOM 0 HG12 ILE A 52 -10.440 0.924 -5.360 1.00 2.42 H new ATOM 0 HG13 ILE A 52 -10.030 1.087 -7.056 1.00 2.42 H new ATOM 0 HG21 ILE A 52 -9.329 2.127 -3.835 1.00 2.36 H new ATOM 0 HG22 ILE A 52 -7.875 3.070 -4.241 1.00 2.36 H new ATOM 0 HG23 ILE A 52 -9.406 3.382 -5.095 1.00 2.36 H new ATOM 0 HD11 ILE A 52 -10.302 -1.288 -6.444 1.00 2.53 H new ATOM 0 HD12 ILE A 52 -8.620 -0.960 -6.925 1.00 2.53 H new ATOM 0 HD13 ILE A 52 -9.037 -1.126 -5.203 1.00 2.53 H new ATOM 852 N ASP A 53 -8.367 1.366 -9.079 1.00 1.20 N ATOM 853 CA ASP A 53 -8.531 0.412 -10.176 1.00 1.19 C ATOM 854 C ASP A 53 -7.462 0.576 -11.267 1.00 1.09 C ATOM 855 O ASP A 53 -6.949 -0.438 -11.744 1.00 1.14 O ATOM 856 CB ASP A 53 -9.968 0.516 -10.723 1.00 1.44 C ATOM 857 CG ASP A 53 -10.228 -0.426 -11.905 1.00 2.35 C ATOM 858 OD1 ASP A 53 -9.711 -1.568 -11.924 1.00 3.04 O ATOM 859 OD2 ASP A 53 -10.804 0.034 -12.916 1.00 3.59 O ATOM 0 H ASP A 53 -9.006 2.159 -9.139 1.00 1.20 H new ATOM 0 HA ASP A 53 -8.379 -0.596 -9.791 1.00 1.19 H new ATOM 0 HB2 ASP A 53 -10.673 0.290 -9.923 1.00 1.44 H new ATOM 0 HB3 ASP A 53 -10.159 1.543 -11.035 1.00 1.44 H new ATOM 864 N ASP A 54 -7.061 1.797 -11.664 1.00 1.12 N ATOM 865 CA ASP A 54 -5.872 1.931 -12.537 1.00 1.21 C ATOM 866 C ASP A 54 -4.674 1.225 -11.904 1.00 1.32 C ATOM 867 O ASP A 54 -4.017 0.408 -12.552 1.00 1.51 O ATOM 868 CB ASP A 54 -5.453 3.382 -12.827 1.00 1.49 C ATOM 869 CG ASP A 54 -4.341 3.376 -13.906 1.00 1.82 C ATOM 870 OD1 ASP A 54 -3.168 3.051 -13.582 1.00 2.59 O ATOM 871 OD2 ASP A 54 -4.675 3.606 -15.085 1.00 2.36 O ATOM 0 H ASP A 54 -7.517 2.673 -11.410 1.00 1.12 H new ATOM 0 HA ASP A 54 -6.167 1.477 -13.483 1.00 1.21 H new ATOM 0 HB2 ASP A 54 -6.310 3.960 -13.172 1.00 1.49 H new ATOM 0 HB3 ASP A 54 -5.092 3.860 -11.916 1.00 1.49 H new ATOM 876 N LEU A 55 -4.438 1.500 -10.619 1.00 1.31 N ATOM 877 CA LEU A 55 -3.297 0.991 -9.880 1.00 1.40 C ATOM 878 C LEU A 55 -3.349 -0.537 -9.762 1.00 1.44 C ATOM 879 O LEU A 55 -2.322 -1.187 -9.966 1.00 1.53 O ATOM 880 CB LEU A 55 -3.220 1.695 -8.523 1.00 1.39 C ATOM 881 CG LEU A 55 -3.153 3.232 -8.569 1.00 1.43 C ATOM 882 CD1 LEU A 55 -3.150 3.759 -7.127 1.00 1.55 C ATOM 883 CD2 LEU A 55 -1.901 3.759 -9.289 1.00 1.55 C ATOM 0 H LEU A 55 -5.050 2.094 -10.059 1.00 1.31 H new ATOM 0 HA LEU A 55 -2.378 1.213 -10.423 1.00 1.40 H new ATOM 0 HB2 LEU A 55 -4.091 1.405 -7.935 1.00 1.39 H new ATOM 0 HB3 LEU A 55 -2.341 1.327 -7.993 1.00 1.39 H new ATOM 0 HG LEU A 55 -4.019 3.582 -9.130 1.00 1.43 H new ATOM 0 HD11 LEU A 55 -3.103 4.848 -7.138 1.00 1.55 H new ATOM 0 HD12 LEU A 55 -4.061 3.440 -6.621 1.00 1.55 H new ATOM 0 HD13 LEU A 55 -2.284 3.363 -6.597 1.00 1.55 H new ATOM 0 HD21 LEU A 55 -1.912 4.849 -9.288 1.00 1.55 H new ATOM 0 HD22 LEU A 55 -1.008 3.405 -8.773 1.00 1.55 H new ATOM 0 HD23 LEU A 55 -1.893 3.397 -10.317 1.00 1.55 H new ATOM 895 N MET A 56 -4.530 -1.129 -9.554 1.00 1.43 N ATOM 896 CA MET A 56 -4.731 -2.587 -9.609 1.00 1.53 C ATOM 897 C MET A 56 -4.292 -3.228 -10.941 1.00 1.52 C ATOM 898 O MET A 56 -3.755 -4.340 -10.915 1.00 1.75 O ATOM 899 CB MET A 56 -6.194 -2.941 -9.299 1.00 1.61 C ATOM 900 CG MET A 56 -6.529 -2.887 -7.807 1.00 1.79 C ATOM 901 SD MET A 56 -5.740 -4.170 -6.804 1.00 2.15 S ATOM 902 CE MET A 56 -4.591 -3.141 -5.863 1.00 1.41 C ATOM 0 H MET A 56 -5.381 -0.609 -9.341 1.00 1.43 H new ATOM 0 HA MET A 56 -4.080 -3.009 -8.843 1.00 1.53 H new ATOM 0 HB2 MET A 56 -6.848 -2.254 -9.836 1.00 1.61 H new ATOM 0 HB3 MET A 56 -6.406 -3.942 -9.675 1.00 1.61 H new ATOM 0 HG2 MET A 56 -6.237 -1.911 -7.419 1.00 1.79 H new ATOM 0 HG3 MET A 56 -7.610 -2.967 -7.689 1.00 1.79 H new ATOM 0 HE1 MET A 56 -4.209 -3.706 -5.013 1.00 1.41 H new ATOM 0 HE2 MET A 56 -3.760 -2.844 -6.503 1.00 1.41 H new ATOM 0 HE3 MET A 56 -5.109 -2.251 -5.505 1.00 1.41 H new ATOM 912 N LYS A 57 -4.442 -2.551 -12.093 1.00 1.38 N ATOM 913 CA LYS A 57 -3.822 -2.985 -13.361 1.00 1.44 C ATOM 914 C LYS A 57 -2.361 -2.525 -13.501 1.00 1.32 C ATOM 915 O LYS A 57 -1.558 -3.237 -14.091 1.00 1.50 O ATOM 916 CB LYS A 57 -4.623 -2.513 -14.590 1.00 1.76 C ATOM 917 CG LYS A 57 -5.936 -3.284 -14.830 1.00 1.97 C ATOM 918 CD LYS A 57 -7.160 -2.607 -14.212 1.00 2.66 C ATOM 919 CE LYS A 57 -7.510 -1.320 -14.977 1.00 3.33 C ATOM 920 NZ LYS A 57 -8.407 -0.458 -14.184 1.00 4.69 N ATOM 0 H LYS A 57 -4.991 -1.695 -12.173 1.00 1.38 H new ATOM 0 HA LYS A 57 -3.834 -4.074 -13.325 1.00 1.44 H new ATOM 0 HB2 LYS A 57 -4.854 -1.454 -14.473 1.00 1.76 H new ATOM 0 HB3 LYS A 57 -3.994 -2.606 -15.476 1.00 1.76 H new ATOM 0 HG2 LYS A 57 -6.094 -3.393 -15.903 1.00 1.97 H new ATOM 0 HG3 LYS A 57 -5.839 -4.289 -14.418 1.00 1.97 H new ATOM 0 HD2 LYS A 57 -8.009 -3.290 -14.231 1.00 2.66 H new ATOM 0 HD3 LYS A 57 -6.963 -2.373 -13.166 1.00 2.66 H new ATOM 0 HE2 LYS A 57 -6.596 -0.776 -15.217 1.00 3.33 H new ATOM 0 HE3 LYS A 57 -7.988 -1.574 -15.923 1.00 3.33 H new ATOM 0 HZ1 LYS A 57 -8.213 0.540 -14.404 1.00 4.69 H new ATOM 0 HZ2 LYS A 57 -9.396 -0.678 -14.417 1.00 4.69 H new ATOM 0 HZ3 LYS A 57 -8.245 -0.627 -13.171 1.00 4.69 H new ATOM 934 N SER A 58 -1.978 -1.367 -12.982 1.00 1.17 N ATOM 935 CA SER A 58 -0.647 -0.771 -13.170 1.00 1.13 C ATOM 936 C SER A 58 0.484 -1.413 -12.356 1.00 1.07 C ATOM 937 O SER A 58 1.636 -1.352 -12.790 1.00 1.26 O ATOM 938 CB SER A 58 -0.702 0.753 -12.989 1.00 1.23 C ATOM 939 OG SER A 58 -1.265 1.349 -14.149 1.00 2.24 O ATOM 0 H SER A 58 -2.594 -0.796 -12.403 1.00 1.17 H new ATOM 0 HA SER A 58 -0.376 -0.995 -14.202 1.00 1.13 H new ATOM 0 HB2 SER A 58 -1.299 1.004 -12.112 1.00 1.23 H new ATOM 0 HB3 SER A 58 0.300 1.145 -12.816 1.00 1.23 H new ATOM 0 HG SER A 58 -1.891 2.054 -13.883 1.00 2.24 H new ATOM 945 N LEU A 59 0.160 -2.117 -11.267 1.00 1.00 N ATOM 946 CA LEU A 59 1.030 -3.117 -10.640 1.00 1.07 C ATOM 947 C LEU A 59 1.258 -4.281 -11.603 1.00 1.26 C ATOM 948 O LEU A 59 2.367 -4.780 -11.750 1.00 1.43 O ATOM 949 CB LEU A 59 0.305 -3.607 -9.370 1.00 1.07 C ATOM 950 CG LEU A 59 0.227 -2.588 -8.214 1.00 1.15 C ATOM 951 CD1 LEU A 59 -0.320 -3.286 -6.961 1.00 1.35 C ATOM 952 CD2 LEU A 59 1.564 -1.889 -7.933 1.00 1.29 C ATOM 0 H LEU A 59 -0.733 -2.005 -10.787 1.00 1.00 H new ATOM 0 HA LEU A 59 2.003 -2.694 -10.390 1.00 1.07 H new ATOM 0 HB2 LEU A 59 -0.709 -3.900 -9.642 1.00 1.07 H new ATOM 0 HB3 LEU A 59 0.809 -4.503 -9.008 1.00 1.07 H new ATOM 0 HG LEU A 59 -0.455 -1.793 -8.516 1.00 1.15 H new ATOM 0 HD11 LEU A 59 -0.377 -2.570 -6.141 1.00 1.35 H new ATOM 0 HD12 LEU A 59 -1.315 -3.680 -7.169 1.00 1.35 H new ATOM 0 HD13 LEU A 59 0.343 -4.105 -6.682 1.00 1.35 H new ATOM 0 HD21 LEU A 59 1.441 -1.186 -7.110 1.00 1.29 H new ATOM 0 HD22 LEU A 59 2.314 -2.633 -7.666 1.00 1.29 H new ATOM 0 HD23 LEU A 59 1.888 -1.351 -8.824 1.00 1.29 H new ATOM 964 N ASP A 60 0.196 -4.700 -12.285 1.00 1.39 N ATOM 965 CA ASP A 60 0.212 -5.859 -13.163 1.00 1.72 C ATOM 966 C ASP A 60 1.014 -5.651 -14.457 1.00 1.86 C ATOM 967 O ASP A 60 1.618 -6.596 -14.957 1.00 2.36 O ATOM 968 CB ASP A 60 -1.214 -6.382 -13.357 1.00 1.96 C ATOM 969 CG ASP A 60 -1.280 -7.873 -12.988 1.00 2.66 C ATOM 970 OD1 ASP A 60 -0.788 -8.742 -13.741 1.00 3.96 O ATOM 971 OD2 ASP A 60 -1.743 -8.129 -11.850 1.00 2.94 O ATOM 0 H ASP A 60 -0.711 -4.236 -12.241 1.00 1.39 H new ATOM 0 HA ASP A 60 0.776 -6.652 -12.673 1.00 1.72 H new ATOM 0 HB2 ASP A 60 -1.907 -5.814 -12.736 1.00 1.96 H new ATOM 0 HB3 ASP A 60 -1.525 -6.241 -14.392 1.00 1.96 H new ATOM 976 N LYS A 61 1.153 -4.403 -14.915 1.00 1.61 N ATOM 977 CA LYS A 61 2.030 -4.018 -16.037 1.00 1.85 C ATOM 978 C LYS A 61 3.510 -4.420 -15.854 1.00 2.18 C ATOM 979 O LYS A 61 4.231 -4.523 -16.841 1.00 2.70 O ATOM 980 CB LYS A 61 1.886 -2.521 -16.315 1.00 1.67 C ATOM 981 CG LYS A 61 0.467 -2.209 -16.839 1.00 1.72 C ATOM 982 CD LYS A 61 0.262 -0.766 -17.317 1.00 2.18 C ATOM 983 CE LYS A 61 1.038 0.180 -16.406 1.00 3.18 C ATOM 984 NZ LYS A 61 0.461 1.551 -16.363 1.00 4.06 N ATOM 0 H LYS A 61 0.651 -3.612 -14.511 1.00 1.61 H new ATOM 0 HA LYS A 61 1.695 -4.587 -16.904 1.00 1.85 H new ATOM 0 HB2 LYS A 61 2.078 -1.955 -15.404 1.00 1.67 H new ATOM 0 HB3 LYS A 61 2.629 -2.207 -17.048 1.00 1.67 H new ATOM 0 HG2 LYS A 61 0.242 -2.886 -17.663 1.00 1.72 H new ATOM 0 HG3 LYS A 61 -0.252 -2.421 -16.048 1.00 1.72 H new ATOM 0 HD2 LYS A 61 0.603 -0.660 -18.347 1.00 2.18 H new ATOM 0 HD3 LYS A 61 -0.798 -0.513 -17.305 1.00 2.18 H new ATOM 0 HE2 LYS A 61 1.058 -0.231 -15.397 1.00 3.18 H new ATOM 0 HE3 LYS A 61 2.072 0.237 -16.747 1.00 3.18 H new ATOM 0 HZ1 LYS A 61 1.225 2.246 -16.241 1.00 4.06 H new ATOM 0 HZ2 LYS A 61 -0.043 1.743 -17.252 1.00 4.06 H new ATOM 0 HZ3 LYS A 61 -0.203 1.623 -15.566 1.00 4.06 H new ATOM 998 N ASN A 62 3.964 -4.614 -14.608 1.00 2.05 N ATOM 999 CA ASN A 62 5.338 -4.993 -14.228 1.00 2.60 C ATOM 1000 C ASN A 62 5.324 -5.942 -13.014 1.00 2.72 C ATOM 1001 O ASN A 62 6.070 -5.786 -12.056 1.00 4.04 O ATOM 1002 CB ASN A 62 6.172 -3.731 -13.946 1.00 2.85 C ATOM 1003 CG ASN A 62 6.487 -2.976 -15.225 1.00 2.93 C ATOM 1004 OD1 ASN A 62 7.450 -3.252 -15.921 1.00 3.27 O ATOM 1005 ND2 ASN A 62 5.648 -2.016 -15.569 1.00 3.79 N ATOM 0 H ASN A 62 3.356 -4.506 -13.796 1.00 2.05 H new ATOM 0 HA ASN A 62 5.801 -5.529 -15.057 1.00 2.60 H new ATOM 0 HB2 ASN A 62 5.628 -3.079 -13.262 1.00 2.85 H new ATOM 0 HB3 ASN A 62 7.101 -4.011 -13.449 1.00 2.85 H new ATOM 0 HD21 ASN A 62 5.800 -1.491 -16.430 1.00 3.79 H new ATOM 0 HD22 ASN A 62 4.848 -1.800 -14.974 1.00 3.79 H new ATOM 1012 N SER A 63 4.394 -6.894 -13.015 1.00 1.75 N ATOM 1013 CA SER A 63 3.927 -7.581 -11.804 1.00 1.86 C ATOM 1014 C SER A 63 4.885 -8.600 -11.230 1.00 1.75 C ATOM 1015 O SER A 63 4.968 -8.750 -10.012 1.00 2.02 O ATOM 1016 CB SER A 63 2.617 -8.335 -12.047 1.00 1.97 C ATOM 1017 OG SER A 63 2.385 -8.637 -13.419 1.00 2.56 O ATOM 0 H SER A 63 3.935 -7.217 -13.866 1.00 1.75 H new ATOM 0 HA SER A 63 3.814 -6.761 -11.095 1.00 1.86 H new ATOM 0 HB2 SER A 63 2.629 -9.263 -11.475 1.00 1.97 H new ATOM 0 HB3 SER A 63 1.787 -7.738 -11.669 1.00 1.97 H new ATOM 0 HG SER A 63 1.988 -7.859 -13.863 1.00 2.56 H new ATOM 1023 N ASP A 64 5.574 -9.301 -12.119 1.00 1.46 N ATOM 1024 CA ASP A 64 6.203 -10.595 -11.860 1.00 1.36 C ATOM 1025 C ASP A 64 7.713 -10.354 -11.764 1.00 1.37 C ATOM 1026 O ASP A 64 8.566 -11.106 -12.231 1.00 1.73 O ATOM 1027 CB ASP A 64 5.692 -11.599 -12.911 1.00 1.47 C ATOM 1028 CG ASP A 64 4.152 -11.732 -12.851 1.00 2.10 C ATOM 1029 OD1 ASP A 64 3.582 -11.594 -11.744 1.00 2.90 O ATOM 1030 OD2 ASP A 64 3.500 -11.920 -13.905 1.00 2.97 O ATOM 0 H ASP A 64 5.717 -8.976 -13.075 1.00 1.46 H new ATOM 0 HA ASP A 64 5.937 -11.060 -10.911 1.00 1.36 H new ATOM 0 HB2 ASP A 64 5.994 -11.273 -13.907 1.00 1.47 H new ATOM 0 HB3 ASP A 64 6.151 -12.573 -12.742 1.00 1.47 H new ATOM 1035 N GLN A 65 7.982 -9.185 -11.189 1.00 1.32 N ATOM 1036 CA GLN A 65 9.252 -8.576 -10.873 1.00 1.32 C ATOM 1037 C GLN A 65 9.280 -8.306 -9.361 1.00 1.28 C ATOM 1038 O GLN A 65 8.217 -8.258 -8.732 1.00 1.27 O ATOM 1039 CB GLN A 65 9.289 -7.235 -11.607 1.00 1.38 C ATOM 1040 CG GLN A 65 9.231 -7.317 -13.145 1.00 1.87 C ATOM 1041 CD GLN A 65 9.183 -5.934 -13.797 1.00 2.16 C ATOM 1042 OE1 GLN A 65 9.563 -4.932 -13.216 1.00 2.99 O ATOM 1043 NE2 GLN A 65 8.678 -5.806 -15.006 1.00 2.88 N ATOM 0 H GLN A 65 7.215 -8.576 -10.903 1.00 1.32 H new ATOM 0 HA GLN A 65 10.092 -9.209 -11.159 1.00 1.32 H new ATOM 0 HB2 GLN A 65 8.452 -6.629 -11.261 1.00 1.38 H new ATOM 0 HB3 GLN A 65 10.201 -6.710 -11.323 1.00 1.38 H new ATOM 0 HG2 GLN A 65 10.103 -7.859 -13.511 1.00 1.87 H new ATOM 0 HG3 GLN A 65 8.352 -7.888 -13.444 1.00 1.87 H new ATOM 0 HE21 GLN A 65 8.353 -6.629 -15.513 1.00 2.88 H new ATOM 0 HE22 GLN A 65 8.612 -4.883 -15.436 1.00 2.88 H new ATOM 1052 N GLU A 66 10.460 -8.067 -8.778 1.00 1.30 N ATOM 1053 CA GLU A 66 10.548 -7.737 -7.354 1.00 1.24 C ATOM 1054 C GLU A 66 10.468 -6.231 -7.101 1.00 1.29 C ATOM 1055 O GLU A 66 11.001 -5.412 -7.850 1.00 1.52 O ATOM 1056 CB GLU A 66 11.824 -8.277 -6.687 1.00 1.25 C ATOM 1057 CG GLU A 66 11.891 -9.804 -6.603 1.00 1.33 C ATOM 1058 CD GLU A 66 13.122 -10.249 -5.809 1.00 1.70 C ATOM 1059 OE1 GLU A 66 13.176 -9.950 -4.591 1.00 2.49 O ATOM 1060 OE2 GLU A 66 14.008 -10.891 -6.414 1.00 2.41 O ATOM 0 H GLU A 66 11.356 -8.096 -9.264 1.00 1.30 H new ATOM 0 HA GLU A 66 9.685 -8.228 -6.905 1.00 1.24 H new ATOM 0 HB2 GLU A 66 12.691 -7.917 -7.241 1.00 1.25 H new ATOM 0 HB3 GLU A 66 11.896 -7.866 -5.680 1.00 1.25 H new ATOM 0 HG2 GLU A 66 10.988 -10.187 -6.128 1.00 1.33 H new ATOM 0 HG3 GLU A 66 11.927 -10.227 -7.607 1.00 1.33 H new ATOM 1067 N ILE A 67 9.858 -5.875 -5.974 1.00 1.15 N ATOM 1068 CA ILE A 67 9.913 -4.538 -5.380 1.00 1.23 C ATOM 1069 C ILE A 67 10.547 -4.490 -3.999 1.00 1.26 C ATOM 1070 O ILE A 67 10.553 -5.464 -3.258 1.00 1.38 O ATOM 1071 CB ILE A 67 8.520 -3.905 -5.246 1.00 1.32 C ATOM 1072 CG1 ILE A 67 7.462 -4.803 -4.574 1.00 2.01 C ATOM 1073 CG2 ILE A 67 8.054 -3.421 -6.607 1.00 1.62 C ATOM 1074 CD1 ILE A 67 6.403 -3.989 -3.828 1.00 2.64 C ATOM 0 H ILE A 67 9.294 -6.528 -5.430 1.00 1.15 H new ATOM 0 HA ILE A 67 10.538 -3.982 -6.079 1.00 1.23 H new ATOM 0 HB ILE A 67 8.628 -3.063 -4.563 1.00 1.32 H new ATOM 0 HG12 ILE A 67 6.977 -5.419 -5.331 1.00 2.01 H new ATOM 0 HG13 ILE A 67 7.954 -5.482 -3.877 1.00 2.01 H new ATOM 0 HG21 ILE A 67 7.065 -2.971 -6.514 1.00 1.62 H new ATOM 0 HG22 ILE A 67 8.756 -2.680 -6.989 1.00 1.62 H new ATOM 0 HG23 ILE A 67 8.006 -4.264 -7.296 1.00 1.62 H new ATOM 0 HD11 ILE A 67 5.680 -4.665 -3.371 1.00 2.64 H new ATOM 0 HD12 ILE A 67 6.883 -3.392 -3.052 1.00 2.64 H new ATOM 0 HD13 ILE A 67 5.891 -3.329 -4.528 1.00 2.64 H new ATOM 1086 N ASP A 68 10.953 -3.277 -3.641 1.00 1.16 N ATOM 1087 CA ASP A 68 11.278 -2.852 -2.290 1.00 1.07 C ATOM 1088 C ASP A 68 10.031 -2.425 -1.480 1.00 0.87 C ATOM 1089 O ASP A 68 8.908 -2.324 -1.984 1.00 1.16 O ATOM 1090 CB ASP A 68 12.307 -1.695 -2.400 1.00 1.24 C ATOM 1091 CG ASP A 68 11.790 -0.415 -3.091 1.00 1.26 C ATOM 1092 OD1 ASP A 68 10.583 -0.314 -3.398 1.00 2.20 O ATOM 1093 OD2 ASP A 68 12.567 0.544 -3.301 1.00 2.15 O ATOM 0 H ASP A 68 11.069 -2.527 -4.323 1.00 1.16 H new ATOM 0 HA ASP A 68 11.701 -3.693 -1.740 1.00 1.07 H new ATOM 0 HB2 ASP A 68 12.645 -1.435 -1.397 1.00 1.24 H new ATOM 0 HB3 ASP A 68 13.178 -2.056 -2.946 1.00 1.24 H new ATOM 1098 N PHE A 69 10.255 -2.095 -0.208 1.00 0.79 N ATOM 1099 CA PHE A 69 9.242 -1.549 0.698 1.00 0.69 C ATOM 1100 C PHE A 69 8.720 -0.169 0.250 1.00 0.67 C ATOM 1101 O PHE A 69 7.675 0.287 0.715 1.00 0.78 O ATOM 1102 CB PHE A 69 9.890 -1.480 2.091 1.00 0.76 C ATOM 1103 CG PHE A 69 8.948 -1.545 3.280 1.00 1.14 C ATOM 1104 CD1 PHE A 69 8.378 -0.375 3.818 1.00 1.97 C ATOM 1105 CD2 PHE A 69 8.708 -2.787 3.899 1.00 2.55 C ATOM 1106 CE1 PHE A 69 7.624 -0.433 5.003 1.00 2.65 C ATOM 1107 CE2 PHE A 69 7.943 -2.845 5.076 1.00 3.22 C ATOM 1108 CZ PHE A 69 7.428 -1.668 5.642 1.00 2.89 C ATOM 0 H PHE A 69 11.169 -2.202 0.233 1.00 0.79 H new ATOM 0 HA PHE A 69 8.363 -2.193 0.702 1.00 0.69 H new ATOM 0 HB2 PHE A 69 10.604 -2.299 2.176 1.00 0.76 H new ATOM 0 HB3 PHE A 69 10.459 -0.553 2.157 1.00 0.76 H new ATOM 0 HD1 PHE A 69 8.521 0.571 3.318 1.00 1.97 H new ATOM 0 HD2 PHE A 69 9.111 -3.693 3.470 1.00 2.55 H new ATOM 0 HE1 PHE A 69 7.198 0.468 5.420 1.00 2.65 H new ATOM 0 HE2 PHE A 69 7.751 -3.798 5.547 1.00 3.22 H new ATOM 0 HZ PHE A 69 6.880 -1.712 6.571 1.00 2.89 H new ATOM 1118 N LYS A 70 9.419 0.528 -0.653 1.00 0.67 N ATOM 1119 CA LYS A 70 9.076 1.889 -1.089 1.00 0.77 C ATOM 1120 C LYS A 70 7.912 1.887 -2.083 1.00 0.76 C ATOM 1121 O LYS A 70 6.980 2.671 -1.927 1.00 0.86 O ATOM 1122 CB LYS A 70 10.331 2.481 -1.715 1.00 0.89 C ATOM 1123 CG LYS A 70 10.246 3.957 -2.116 1.00 1.50 C ATOM 1124 CD LYS A 70 11.158 4.230 -3.323 1.00 2.07 C ATOM 1125 CE LYS A 70 10.564 3.646 -4.619 1.00 3.81 C ATOM 1126 NZ LYS A 70 11.185 2.368 -5.061 1.00 4.33 N ATOM 0 H LYS A 70 10.253 0.157 -1.109 1.00 0.67 H new ATOM 0 HA LYS A 70 8.746 2.487 -0.240 1.00 0.77 H new ATOM 0 HB2 LYS A 70 11.155 2.362 -1.012 1.00 0.89 H new ATOM 0 HB3 LYS A 70 10.582 1.898 -2.601 1.00 0.89 H new ATOM 0 HG2 LYS A 70 9.216 4.216 -2.362 1.00 1.50 H new ATOM 0 HG3 LYS A 70 10.541 4.587 -1.277 1.00 1.50 H new ATOM 0 HD2 LYS A 70 11.300 5.305 -3.438 1.00 2.07 H new ATOM 0 HD3 LYS A 70 12.142 3.796 -3.144 1.00 2.07 H new ATOM 0 HE2 LYS A 70 9.496 3.485 -4.474 1.00 3.81 H new ATOM 0 HE3 LYS A 70 10.670 4.382 -5.416 1.00 3.81 H new ATOM 0 HZ1 LYS A 70 10.623 1.958 -5.834 1.00 4.33 H new ATOM 0 HZ2 LYS A 70 12.153 2.550 -5.395 1.00 4.33 H new ATOM 0 HZ3 LYS A 70 11.213 1.702 -4.263 1.00 4.33 H new ATOM 1140 N GLU A 71 7.957 0.987 -3.068 1.00 0.73 N ATOM 1141 CA GLU A 71 6.906 0.787 -4.070 1.00 0.74 C ATOM 1142 C GLU A 71 5.585 0.352 -3.427 1.00 0.84 C ATOM 1143 O GLU A 71 4.510 0.555 -3.983 1.00 1.28 O ATOM 1144 CB GLU A 71 7.380 -0.302 -5.029 1.00 0.86 C ATOM 1145 CG GLU A 71 8.607 0.118 -5.845 1.00 1.00 C ATOM 1146 CD GLU A 71 8.316 1.160 -6.915 1.00 1.71 C ATOM 1147 OE1 GLU A 71 7.364 0.949 -7.704 1.00 1.98 O ATOM 1148 OE2 GLU A 71 9.075 2.155 -6.906 1.00 3.23 O ATOM 0 H GLU A 71 8.750 0.358 -3.195 1.00 0.73 H new ATOM 0 HA GLU A 71 6.725 1.728 -4.589 1.00 0.74 H new ATOM 0 HB2 GLU A 71 7.618 -1.202 -4.461 1.00 0.86 H new ATOM 0 HB3 GLU A 71 6.568 -0.560 -5.709 1.00 0.86 H new ATOM 0 HG2 GLU A 71 9.364 0.512 -5.166 1.00 1.00 H new ATOM 0 HG3 GLU A 71 9.034 -0.765 -6.320 1.00 1.00 H new ATOM 1155 N TYR A 72 5.691 -0.233 -2.235 1.00 0.66 N ATOM 1156 CA TYR A 72 4.588 -0.495 -1.301 1.00 0.64 C ATOM 1157 C TYR A 72 4.118 0.764 -0.531 1.00 0.66 C ATOM 1158 O TYR A 72 2.944 1.134 -0.597 1.00 0.64 O ATOM 1159 CB TYR A 72 5.068 -1.611 -0.362 1.00 0.64 C ATOM 1160 CG TYR A 72 4.399 -1.729 0.999 1.00 0.61 C ATOM 1161 CD1 TYR A 72 3.013 -1.964 1.113 1.00 1.62 C ATOM 1162 CD2 TYR A 72 5.192 -1.679 2.162 1.00 1.71 C ATOM 1163 CE1 TYR A 72 2.444 -2.211 2.380 1.00 1.63 C ATOM 1164 CE2 TYR A 72 4.627 -1.951 3.420 1.00 1.83 C ATOM 1165 CZ TYR A 72 3.254 -2.252 3.535 1.00 0.90 C ATOM 1166 OH TYR A 72 2.742 -2.649 4.728 1.00 1.15 O ATOM 0 H TYR A 72 6.589 -0.554 -1.874 1.00 0.66 H new ATOM 0 HA TYR A 72 3.700 -0.804 -1.853 1.00 0.64 H new ATOM 0 HB2 TYR A 72 4.943 -2.562 -0.880 1.00 0.64 H new ATOM 0 HB3 TYR A 72 6.137 -1.475 -0.199 1.00 0.64 H new ATOM 0 HD1 TYR A 72 2.388 -1.955 0.232 1.00 1.62 H new ATOM 0 HD2 TYR A 72 6.240 -1.430 2.087 1.00 1.71 H new ATOM 0 HE1 TYR A 72 1.379 -2.370 2.467 1.00 1.63 H new ATOM 0 HE2 TYR A 72 5.248 -1.929 4.303 1.00 1.83 H new ATOM 0 HH TYR A 72 3.465 -2.980 5.300 1.00 1.15 H new ATOM 1176 N SER A 73 5.004 1.459 0.188 1.00 0.76 N ATOM 1177 CA SER A 73 4.637 2.607 1.030 1.00 0.89 C ATOM 1178 C SER A 73 4.155 3.827 0.232 1.00 0.86 C ATOM 1179 O SER A 73 3.213 4.493 0.680 1.00 0.88 O ATOM 1180 CB SER A 73 5.823 2.989 1.924 1.00 1.00 C ATOM 1181 OG SER A 73 6.928 3.415 1.163 1.00 1.24 O ATOM 0 H SER A 73 6.001 1.242 0.204 1.00 0.76 H new ATOM 0 HA SER A 73 3.789 2.293 1.639 1.00 0.89 H new ATOM 0 HB2 SER A 73 5.523 3.783 2.608 1.00 1.00 H new ATOM 0 HB3 SER A 73 6.109 2.133 2.535 1.00 1.00 H new ATOM 0 HG SER A 73 6.775 3.205 0.218 1.00 1.24 H new ATOM 1187 N VAL A 74 4.707 4.078 -0.966 1.00 0.84 N ATOM 1188 CA VAL A 74 4.196 5.121 -1.870 1.00 0.82 C ATOM 1189 C VAL A 74 2.733 4.909 -2.217 1.00 0.88 C ATOM 1190 O VAL A 74 2.026 5.893 -2.349 1.00 0.88 O ATOM 1191 CB VAL A 74 4.936 5.253 -3.220 1.00 0.99 C ATOM 1192 CG1 VAL A 74 6.356 5.784 -3.037 1.00 0.96 C ATOM 1193 CG2 VAL A 74 4.906 4.007 -4.118 1.00 1.24 C ATOM 0 H VAL A 74 5.512 3.570 -1.332 1.00 0.84 H new ATOM 0 HA VAL A 74 4.359 6.029 -1.289 1.00 0.82 H new ATOM 0 HB VAL A 74 4.355 5.992 -3.771 1.00 0.99 H new ATOM 0 HG11 VAL A 74 6.843 5.863 -4.009 1.00 0.96 H new ATOM 0 HG12 VAL A 74 6.319 6.768 -2.569 1.00 0.96 H new ATOM 0 HG13 VAL A 74 6.921 5.101 -2.402 1.00 0.96 H new ATOM 0 HG21 VAL A 74 5.454 4.209 -5.038 1.00 1.24 H new ATOM 0 HG22 VAL A 74 5.370 3.170 -3.595 1.00 1.24 H new ATOM 0 HG23 VAL A 74 3.873 3.757 -4.359 1.00 1.24 H new ATOM 1203 N PHE A 75 2.283 3.662 -2.373 1.00 0.95 N ATOM 1204 CA PHE A 75 0.972 3.294 -2.906 1.00 0.86 C ATOM 1205 C PHE A 75 -0.117 3.514 -1.857 1.00 0.84 C ATOM 1206 O PHE A 75 -1.101 4.205 -2.126 1.00 0.79 O ATOM 1207 CB PHE A 75 1.082 1.818 -3.309 1.00 0.86 C ATOM 1208 CG PHE A 75 -0.009 1.300 -4.208 1.00 0.72 C ATOM 1209 CD1 PHE A 75 -1.311 1.081 -3.718 1.00 2.10 C ATOM 1210 CD2 PHE A 75 0.310 0.957 -5.530 1.00 1.56 C ATOM 1211 CE1 PHE A 75 -2.272 0.457 -4.529 1.00 2.02 C ATOM 1212 CE2 PHE A 75 -0.663 0.365 -6.347 1.00 1.63 C ATOM 1213 CZ PHE A 75 -1.941 0.077 -5.842 1.00 0.66 C ATOM 0 H PHE A 75 2.846 2.849 -2.121 1.00 0.95 H new ATOM 0 HA PHE A 75 0.695 3.909 -3.762 1.00 0.86 H new ATOM 0 HB2 PHE A 75 2.039 1.668 -3.808 1.00 0.86 H new ATOM 0 HB3 PHE A 75 1.097 1.214 -2.402 1.00 0.86 H new ATOM 0 HD1 PHE A 75 -1.570 1.393 -2.717 1.00 2.10 H new ATOM 0 HD2 PHE A 75 1.300 1.148 -5.916 1.00 1.56 H new ATOM 0 HE1 PHE A 75 -3.264 0.269 -4.145 1.00 2.02 H new ATOM 0 HE2 PHE A 75 -0.428 0.128 -7.374 1.00 1.63 H new ATOM 0 HZ PHE A 75 -2.666 -0.434 -6.459 1.00 0.66 H new ATOM 1223 N LEU A 76 0.113 3.004 -0.638 1.00 0.89 N ATOM 1224 CA LEU A 76 -0.729 3.266 0.532 1.00 0.89 C ATOM 1225 C LEU A 76 -0.849 4.765 0.811 1.00 0.89 C ATOM 1226 O LEU A 76 -1.958 5.259 1.032 1.00 0.87 O ATOM 1227 CB LEU A 76 -0.136 2.570 1.767 1.00 0.93 C ATOM 1228 CG LEU A 76 -0.297 1.040 1.802 1.00 0.97 C ATOM 1229 CD1 LEU A 76 0.447 0.502 3.030 1.00 1.22 C ATOM 1230 CD2 LEU A 76 -1.776 0.638 1.884 1.00 1.12 C ATOM 0 H LEU A 76 0.902 2.389 -0.437 1.00 0.89 H new ATOM 0 HA LEU A 76 -1.724 2.873 0.321 1.00 0.89 H new ATOM 0 HB2 LEU A 76 0.926 2.808 1.822 1.00 0.93 H new ATOM 0 HB3 LEU A 76 -0.603 2.988 2.658 1.00 0.93 H new ATOM 0 HG LEU A 76 0.115 0.619 0.885 1.00 0.97 H new ATOM 0 HD11 LEU A 76 0.344 -0.582 3.072 1.00 1.22 H new ATOM 0 HD12 LEU A 76 1.503 0.764 2.959 1.00 1.22 H new ATOM 0 HD13 LEU A 76 0.024 0.942 3.933 1.00 1.22 H new ATOM 0 HD21 LEU A 76 -1.857 -0.449 1.907 1.00 1.12 H new ATOM 0 HD22 LEU A 76 -2.216 1.054 2.790 1.00 1.12 H new ATOM 0 HD23 LEU A 76 -2.306 1.023 1.013 1.00 1.12 H new ATOM 1242 N THR A 77 0.282 5.482 0.773 1.00 0.95 N ATOM 1243 CA THR A 77 0.301 6.917 1.072 1.00 1.09 C ATOM 1244 C THR A 77 -0.296 7.724 -0.075 1.00 0.96 C ATOM 1245 O THR A 77 -1.033 8.669 0.182 1.00 0.94 O ATOM 1246 CB THR A 77 1.705 7.379 1.461 1.00 1.44 C ATOM 1247 OG1 THR A 77 2.177 6.559 2.504 1.00 1.57 O ATOM 1248 CG2 THR A 77 1.635 8.821 1.969 1.00 1.88 C ATOM 0 H THR A 77 1.194 5.091 0.538 1.00 0.95 H new ATOM 0 HA THR A 77 -0.334 7.099 1.939 1.00 1.09 H new ATOM 0 HB THR A 77 2.368 7.318 0.598 1.00 1.44 H new ATOM 0 HG1 THR A 77 2.604 5.762 2.126 1.00 1.57 H new ATOM 0 HG21 THR A 77 2.633 9.157 2.248 1.00 1.88 H new ATOM 0 HG22 THR A 77 1.242 9.465 1.182 1.00 1.88 H new ATOM 0 HG23 THR A 77 0.979 8.869 2.839 1.00 1.88 H new ATOM 1256 N MET A 78 -0.058 7.329 -1.330 1.00 0.95 N ATOM 1257 CA MET A 78 -0.652 7.930 -2.532 1.00 0.93 C ATOM 1258 C MET A 78 -2.174 7.870 -2.493 1.00 0.90 C ATOM 1259 O MET A 78 -2.808 8.903 -2.700 1.00 1.13 O ATOM 1260 CB MET A 78 -0.100 7.248 -3.798 1.00 0.92 C ATOM 1261 CG MET A 78 -0.763 7.718 -5.087 1.00 1.20 C ATOM 1262 SD MET A 78 0.286 7.578 -6.555 1.00 1.24 S ATOM 1263 CE MET A 78 0.307 5.772 -6.700 1.00 1.39 C ATOM 0 H MET A 78 0.573 6.558 -1.546 1.00 0.95 H new ATOM 0 HA MET A 78 -0.373 8.983 -2.558 1.00 0.93 H new ATOM 0 HB2 MET A 78 0.972 7.435 -3.862 1.00 0.92 H new ATOM 0 HB3 MET A 78 -0.231 6.170 -3.705 1.00 0.92 H new ATOM 0 HG2 MET A 78 -1.672 7.138 -5.247 1.00 1.20 H new ATOM 0 HG3 MET A 78 -1.065 8.758 -4.968 1.00 1.20 H new ATOM 0 HE1 MET A 78 0.912 5.483 -7.560 1.00 1.39 H new ATOM 0 HE2 MET A 78 0.733 5.339 -5.795 1.00 1.39 H new ATOM 0 HE3 MET A 78 -0.711 5.406 -6.833 1.00 1.39 H new ATOM 1273 N LEU A 79 -2.763 6.700 -2.218 1.00 0.76 N ATOM 1274 CA LEU A 79 -4.220 6.591 -2.147 1.00 0.90 C ATOM 1275 C LEU A 79 -4.776 7.398 -0.975 1.00 0.90 C ATOM 1276 O LEU A 79 -5.809 8.027 -1.141 1.00 1.05 O ATOM 1277 CB LEU A 79 -4.674 5.118 -2.087 1.00 1.15 C ATOM 1278 CG LEU A 79 -5.881 4.797 -2.997 1.00 1.60 C ATOM 1279 CD1 LEU A 79 -7.092 5.734 -2.832 1.00 2.26 C ATOM 1280 CD2 LEU A 79 -5.439 4.796 -4.465 1.00 3.06 C ATOM 0 H LEU A 79 -2.260 5.830 -2.044 1.00 0.76 H new ATOM 0 HA LEU A 79 -4.629 7.017 -3.063 1.00 0.90 H new ATOM 0 HB2 LEU A 79 -3.838 4.479 -2.370 1.00 1.15 H new ATOM 0 HB3 LEU A 79 -4.931 4.869 -1.057 1.00 1.15 H new ATOM 0 HG LEU A 79 -6.223 3.811 -2.681 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -7.886 5.426 -3.513 1.00 2.26 H new ATOM 0 HD12 LEU A 79 -7.455 5.683 -1.805 1.00 2.26 H new ATOM 0 HD13 LEU A 79 -6.794 6.757 -3.061 1.00 2.26 H new ATOM 0 HD21 LEU A 79 -6.294 4.569 -5.102 1.00 3.06 H new ATOM 0 HD22 LEU A 79 -5.042 5.777 -4.726 1.00 3.06 H new ATOM 0 HD23 LEU A 79 -4.667 4.041 -4.612 1.00 3.06 H new ATOM 1292 N CYS A 80 -4.085 7.419 0.171 1.00 0.81 N ATOM 1293 CA CYS A 80 -4.481 8.267 1.295 1.00 0.86 C ATOM 1294 C CYS A 80 -4.475 9.764 0.935 1.00 1.01 C ATOM 1295 O CYS A 80 -5.480 10.433 1.141 1.00 1.11 O ATOM 1296 CB CYS A 80 -3.613 7.947 2.519 1.00 0.97 C ATOM 1297 SG CYS A 80 -4.496 8.501 4.009 1.00 1.26 S ATOM 0 H CYS A 80 -3.250 6.858 0.342 1.00 0.81 H new ATOM 0 HA CYS A 80 -5.517 8.040 1.547 1.00 0.86 H new ATOM 0 HB2 CYS A 80 -3.413 6.877 2.573 1.00 0.97 H new ATOM 0 HB3 CYS A 80 -2.648 8.448 2.441 1.00 0.97 H new ATOM 0 HG CYS A 80 -5.004 9.679 3.800 1.00 1.26 H new ATOM 1303 N MET A 81 -3.381 10.297 0.374 1.00 1.24 N ATOM 1304 CA MET A 81 -3.285 11.725 0.058 1.00 1.65 C ATOM 1305 C MET A 81 -4.235 12.146 -1.067 1.00 1.85 C ATOM 1306 O MET A 81 -4.678 13.292 -1.068 1.00 2.23 O ATOM 1307 CB MET A 81 -1.825 12.173 -0.124 1.00 1.96 C ATOM 1308 CG MET A 81 -1.088 11.648 -1.362 1.00 1.88 C ATOM 1309 SD MET A 81 -1.532 12.344 -2.977 1.00 2.62 S ATOM 1310 CE MET A 81 -1.213 14.098 -2.654 1.00 3.23 C ATOM 0 H MET A 81 -2.550 9.758 0.130 1.00 1.24 H new ATOM 0 HA MET A 81 -3.643 12.280 0.925 1.00 1.65 H new ATOM 0 HB2 MET A 81 -1.806 13.262 -0.154 1.00 1.96 H new ATOM 0 HB3 MET A 81 -1.264 11.868 0.759 1.00 1.96 H new ATOM 0 HG2 MET A 81 -0.021 11.812 -1.210 1.00 1.88 H new ATOM 0 HG3 MET A 81 -1.241 10.570 -1.410 1.00 1.88 H new ATOM 0 HE1 MET A 81 -1.104 14.628 -3.600 1.00 3.23 H new ATOM 0 HE2 MET A 81 -2.046 14.522 -2.094 1.00 3.23 H new ATOM 0 HE3 MET A 81 -0.296 14.200 -2.073 1.00 3.23 H new ATOM 1320 N ALA A 82 -4.640 11.201 -1.923 1.00 1.75 N ATOM 1321 CA ALA A 82 -5.714 11.381 -2.894 1.00 2.00 C ATOM 1322 C ALA A 82 -7.139 11.483 -2.287 1.00 1.94 C ATOM 1323 O ALA A 82 -8.104 11.595 -3.039 1.00 2.11 O ATOM 1324 CB ALA A 82 -5.603 10.268 -3.940 1.00 2.07 C ATOM 0 H ALA A 82 -4.219 10.273 -1.957 1.00 1.75 H new ATOM 0 HA ALA A 82 -5.578 12.357 -3.359 1.00 2.00 H new ATOM 0 HB1 ALA A 82 -6.397 10.382 -4.678 1.00 2.07 H new ATOM 0 HB2 ALA A 82 -4.635 10.330 -4.436 1.00 2.07 H new ATOM 0 HB3 ALA A 82 -5.698 9.298 -3.451 1.00 2.07 H new ATOM 1330 N TYR A 83 -7.287 11.440 -0.953 1.00 1.75 N ATOM 1331 CA TYR A 83 -8.521 11.795 -0.230 1.00 1.88 C ATOM 1332 C TYR A 83 -8.292 12.577 1.089 1.00 1.99 C ATOM 1333 O TYR A 83 -9.229 12.771 1.867 1.00 2.36 O ATOM 1334 CB TYR A 83 -9.388 10.539 -0.032 1.00 1.95 C ATOM 1335 CG TYR A 83 -8.814 9.423 0.829 1.00 1.96 C ATOM 1336 CD1 TYR A 83 -8.723 9.561 2.230 1.00 3.27 C ATOM 1337 CD2 TYR A 83 -8.427 8.207 0.236 1.00 1.64 C ATOM 1338 CE1 TYR A 83 -8.186 8.530 3.019 1.00 3.41 C ATOM 1339 CE2 TYR A 83 -7.951 7.147 1.024 1.00 1.65 C ATOM 1340 CZ TYR A 83 -7.806 7.314 2.418 1.00 2.19 C ATOM 1341 OH TYR A 83 -7.252 6.318 3.160 1.00 2.41 O ATOM 0 H TYR A 83 -6.533 11.150 -0.331 1.00 1.75 H new ATOM 0 HA TYR A 83 -9.062 12.504 -0.857 1.00 1.88 H new ATOM 0 HB2 TYR A 83 -10.336 10.850 0.407 1.00 1.95 H new ATOM 0 HB3 TYR A 83 -9.612 10.125 -1.015 1.00 1.95 H new ATOM 0 HD1 TYR A 83 -9.070 10.469 2.701 1.00 3.27 H new ATOM 0 HD2 TYR A 83 -8.497 8.088 -0.835 1.00 1.64 H new ATOM 0 HE1 TYR A 83 -8.065 8.669 4.083 1.00 3.41 H new ATOM 0 HE2 TYR A 83 -7.696 6.204 0.564 1.00 1.65 H new ATOM 0 HH TYR A 83 -6.413 6.633 3.556 1.00 2.41 H new ATOM 1351 N ASN A 84 -7.062 13.034 1.361 1.00 1.98 N ATOM 1352 CA ASN A 84 -6.713 13.860 2.534 1.00 2.18 C ATOM 1353 C ASN A 84 -7.079 15.341 2.355 1.00 2.23 C ATOM 1354 O ASN A 84 -6.830 16.160 3.243 1.00 2.43 O ATOM 1355 CB ASN A 84 -5.231 13.662 2.924 1.00 2.30 C ATOM 1356 CG ASN A 84 -4.890 12.295 3.532 1.00 2.49 C ATOM 1357 OD1 ASN A 84 -5.737 11.509 3.925 1.00 3.34 O ATOM 1358 ND2 ASN A 84 -3.612 11.975 3.673 1.00 2.81 N ATOM 0 H ASN A 84 -6.261 12.837 0.761 1.00 1.98 H new ATOM 0 HA ASN A 84 -7.325 13.511 3.366 1.00 2.18 H new ATOM 0 HB2 ASN A 84 -4.616 13.810 2.036 1.00 2.30 H new ATOM 0 HB3 ASN A 84 -4.953 14.438 3.637 1.00 2.30 H new ATOM 0 HD21 ASN A 84 -3.353 11.087 4.103 1.00 2.81 H new ATOM 0 HD22 ASN A 84 -2.887 12.617 3.352 1.00 2.81 H new ATOM 1365 N ASP A 85 -7.745 15.689 1.252 1.00 2.51 N ATOM 1366 CA ASP A 85 -8.416 16.968 1.055 1.00 2.59 C ATOM 1367 C ASP A 85 -9.630 17.175 1.986 1.00 2.22 C ATOM 1368 O ASP A 85 -10.023 18.312 2.239 1.00 2.29 O ATOM 1369 CB ASP A 85 -8.822 17.116 -0.427 1.00 3.56 C ATOM 1370 CG ASP A 85 -9.876 16.092 -0.884 1.00 3.50 C ATOM 1371 OD1 ASP A 85 -9.669 14.889 -0.588 1.00 3.79 O ATOM 1372 OD2 ASP A 85 -10.859 16.508 -1.537 1.00 4.10 O ATOM 0 H ASP A 85 -7.833 15.067 0.449 1.00 2.51 H new ATOM 0 HA ASP A 85 -7.705 17.750 1.323 1.00 2.59 H new ATOM 0 HB2 ASP A 85 -9.210 18.121 -0.590 1.00 3.56 H new ATOM 0 HB3 ASP A 85 -7.934 17.013 -1.050 1.00 3.56 H new ATOM 1377 N PHE A 86 -10.149 16.098 2.581 1.00 2.25 N ATOM 1378 CA PHE A 86 -11.113 16.140 3.686 1.00 2.60 C ATOM 1379 C PHE A 86 -10.549 16.802 4.966 1.00 2.41 C ATOM 1380 O PHE A 86 -11.295 17.020 5.920 1.00 3.03 O ATOM 1381 CB PHE A 86 -11.642 14.715 3.938 1.00 3.13 C ATOM 1382 CG PHE A 86 -12.718 14.272 2.957 1.00 4.10 C ATOM 1383 CD1 PHE A 86 -12.407 14.031 1.604 1.00 5.29 C ATOM 1384 CD2 PHE A 86 -14.054 14.126 3.389 1.00 4.46 C ATOM 1385 CE1 PHE A 86 -13.416 13.671 0.693 1.00 6.50 C ATOM 1386 CE2 PHE A 86 -15.060 13.749 2.482 1.00 5.57 C ATOM 1387 CZ PHE A 86 -14.743 13.527 1.130 1.00 6.49 C ATOM 0 H PHE A 86 -9.905 15.148 2.301 1.00 2.25 H new ATOM 0 HA PHE A 86 -11.943 16.784 3.395 1.00 2.60 H new ATOM 0 HB2 PHE A 86 -10.808 14.015 3.888 1.00 3.13 H new ATOM 0 HB3 PHE A 86 -12.043 14.661 4.950 1.00 3.13 H new ATOM 0 HD1 PHE A 86 -11.386 14.123 1.264 1.00 5.29 H new ATOM 0 HD2 PHE A 86 -14.305 14.305 4.424 1.00 4.46 H new ATOM 0 HE1 PHE A 86 -13.170 13.505 -0.345 1.00 6.50 H new ATOM 0 HE2 PHE A 86 -16.077 13.630 2.824 1.00 5.57 H new ATOM 0 HZ PHE A 86 -15.517 13.247 0.431 1.00 6.49 H new ATOM 1397 N PHE A 87 -9.252 17.157 4.995 1.00 1.97 N ATOM 1398 CA PHE A 87 -8.645 18.015 6.018 1.00 2.35 C ATOM 1399 C PHE A 87 -8.548 19.499 5.609 1.00 2.44 C ATOM 1400 O PHE A 87 -8.066 20.302 6.407 1.00 3.06 O ATOM 1401 CB PHE A 87 -7.246 17.472 6.367 1.00 2.56 C ATOM 1402 CG PHE A 87 -7.161 16.008 6.776 1.00 2.71 C ATOM 1403 CD1 PHE A 87 -8.103 15.448 7.664 1.00 3.57 C ATOM 1404 CD2 PHE A 87 -6.112 15.205 6.284 1.00 2.79 C ATOM 1405 CE1 PHE A 87 -8.006 14.096 8.038 1.00 3.97 C ATOM 1406 CE2 PHE A 87 -6.014 13.854 6.661 1.00 3.27 C ATOM 1407 CZ PHE A 87 -6.963 13.296 7.534 1.00 3.65 C ATOM 0 H PHE A 87 -8.584 16.846 4.289 1.00 1.97 H new ATOM 0 HA PHE A 87 -9.302 17.986 6.887 1.00 2.35 H new ATOM 0 HB2 PHE A 87 -6.598 17.622 5.503 1.00 2.56 H new ATOM 0 HB3 PHE A 87 -6.840 18.076 7.179 1.00 2.56 H new ATOM 0 HD1 PHE A 87 -8.901 16.060 8.058 1.00 3.57 H new ATOM 0 HD2 PHE A 87 -5.379 15.630 5.614 1.00 2.79 H new ATOM 0 HE1 PHE A 87 -8.733 13.670 8.713 1.00 3.97 H new ATOM 0 HE2 PHE A 87 -5.208 13.245 6.279 1.00 3.27 H new ATOM 0 HZ PHE A 87 -6.893 12.256 7.818 1.00 3.65 H new ATOM 1417 N LEU A 88 -8.932 19.876 4.381 1.00 2.05 N ATOM 1418 CA LEU A 88 -8.591 21.161 3.742 1.00 2.11 C ATOM 1419 C LEU A 88 -9.755 22.183 3.772 1.00 2.41 C ATOM 1420 O LEU A 88 -10.450 22.255 4.785 1.00 2.94 O ATOM 1421 CB LEU A 88 -7.986 20.852 2.348 1.00 1.99 C ATOM 1422 CG LEU A 88 -6.586 21.457 2.131 1.00 3.02 C ATOM 1423 CD1 LEU A 88 -6.040 20.965 0.784 1.00 2.60 C ATOM 1424 CD2 LEU A 88 -6.576 22.991 2.223 1.00 4.52 C ATOM 0 H LEU A 88 -9.506 19.279 3.785 1.00 2.05 H new ATOM 0 HA LEU A 88 -7.829 21.689 4.316 1.00 2.11 H new ATOM 0 HB2 LEU A 88 -7.929 19.771 2.218 1.00 1.99 H new ATOM 0 HB3 LEU A 88 -8.659 21.230 1.578 1.00 1.99 H new ATOM 0 HG LEU A 88 -5.935 21.118 2.937 1.00 3.02 H new ATOM 0 HD11 LEU A 88 -5.049 21.386 0.618 1.00 2.60 H new ATOM 0 HD12 LEU A 88 -5.975 19.877 0.793 1.00 2.60 H new ATOM 0 HD13 LEU A 88 -6.708 21.282 -0.017 1.00 2.60 H new ATOM 0 HD21 LEU A 88 -5.563 23.359 2.062 1.00 4.52 H new ATOM 0 HD22 LEU A 88 -7.238 23.405 1.462 1.00 4.52 H new ATOM 0 HD23 LEU A 88 -6.921 23.299 3.210 1.00 4.52 H new ATOM 1517 N GLU B 2 -12.147 -0.369 9.844 1.00 2.21 N ATOM 1518 CA GLU B 2 -11.460 -0.912 11.009 1.00 1.79 C ATOM 1519 C GLU B 2 -10.520 -2.015 10.510 1.00 1.73 C ATOM 1520 O GLU B 2 -10.963 -3.111 10.171 1.00 2.67 O ATOM 1521 CB GLU B 2 -12.465 -1.433 12.056 1.00 2.85 C ATOM 1522 CG GLU B 2 -11.799 -2.028 13.307 1.00 4.06 C ATOM 1523 CD GLU B 2 -10.880 -1.015 13.975 1.00 4.76 C ATOM 1524 OE1 GLU B 2 -11.350 -0.179 14.774 1.00 5.31 O ATOM 1525 OE2 GLU B 2 -9.677 -0.968 13.644 1.00 5.34 O ATOM 0 HA GLU B 2 -10.883 -0.137 11.514 1.00 1.79 H new ATOM 0 HB2 GLU B 2 -13.119 -0.615 12.357 1.00 2.85 H new ATOM 0 HB3 GLU B 2 -13.096 -2.193 11.595 1.00 2.85 H new ATOM 0 HG2 GLU B 2 -12.565 -2.349 14.013 1.00 4.06 H new ATOM 0 HG3 GLU B 2 -11.228 -2.915 13.032 1.00 4.06 H new ATOM 1532 N THR B 3 -9.231 -1.688 10.410 1.00 1.28 N ATOM 1533 CA THR B 3 -8.142 -2.609 10.027 1.00 1.17 C ATOM 1534 C THR B 3 -6.849 -2.213 10.755 1.00 1.20 C ATOM 1535 O THR B 3 -6.695 -1.037 11.090 1.00 1.28 O ATOM 1536 CB THR B 3 -7.904 -2.619 8.504 1.00 1.17 C ATOM 1537 OG1 THR B 3 -7.181 -1.472 8.155 1.00 1.42 O ATOM 1538 CG2 THR B 3 -9.140 -2.686 7.604 1.00 1.47 C ATOM 0 H THR B 3 -8.897 -0.743 10.599 1.00 1.28 H new ATOM 0 HA THR B 3 -8.440 -3.616 10.320 1.00 1.17 H new ATOM 0 HB THR B 3 -7.372 -3.553 8.324 1.00 1.17 H new ATOM 0 HG1 THR B 3 -6.458 -1.716 7.539 1.00 1.42 H new ATOM 0 HG21 THR B 3 -8.830 -2.686 6.559 1.00 1.47 H new ATOM 0 HG22 THR B 3 -9.697 -3.599 7.818 1.00 1.47 H new ATOM 0 HG23 THR B 3 -9.775 -1.821 7.793 1.00 1.47 H new ATOM 1546 N PRO B 4 -5.882 -3.131 10.978 1.00 1.23 N ATOM 1547 CA PRO B 4 -4.659 -2.821 11.714 1.00 1.30 C ATOM 1548 C PRO B 4 -3.795 -1.763 11.011 1.00 1.28 C ATOM 1549 O PRO B 4 -3.320 -0.841 11.674 1.00 1.44 O ATOM 1550 CB PRO B 4 -3.920 -4.156 11.881 1.00 1.35 C ATOM 1551 CG PRO B 4 -4.461 -5.022 10.744 1.00 1.29 C ATOM 1552 CD PRO B 4 -5.903 -4.537 10.603 1.00 1.27 C ATOM 0 HA PRO B 4 -4.893 -2.375 12.681 1.00 1.30 H new ATOM 0 HB2 PRO B 4 -2.840 -4.027 11.806 1.00 1.35 H new ATOM 0 HB3 PRO B 4 -4.120 -4.604 12.854 1.00 1.35 H new ATOM 0 HG2 PRO B 4 -3.895 -4.880 9.823 1.00 1.29 H new ATOM 0 HG3 PRO B 4 -4.414 -6.084 10.987 1.00 1.29 H new ATOM 0 HD2 PRO B 4 -6.261 -4.665 9.582 1.00 1.27 H new ATOM 0 HD3 PRO B 4 -6.572 -5.105 11.249 1.00 1.27 H new ATOM 1560 N LEU B 5 -3.628 -1.843 9.684 1.00 1.19 N ATOM 1561 CA LEU B 5 -2.889 -0.827 8.933 1.00 1.26 C ATOM 1562 C LEU B 5 -3.612 0.519 8.952 1.00 1.40 C ATOM 1563 O LEU B 5 -2.944 1.544 9.080 1.00 1.56 O ATOM 1564 CB LEU B 5 -2.602 -1.345 7.514 1.00 1.25 C ATOM 1565 CG LEU B 5 -1.819 -0.418 6.552 1.00 1.44 C ATOM 1566 CD1 LEU B 5 -2.710 0.619 5.855 1.00 3.25 C ATOM 1567 CD2 LEU B 5 -0.553 0.198 7.162 1.00 3.37 C ATOM 0 H LEU B 5 -3.996 -2.602 9.111 1.00 1.19 H new ATOM 0 HA LEU B 5 -1.929 -0.645 9.415 1.00 1.26 H new ATOM 0 HB2 LEU B 5 -2.048 -2.279 7.604 1.00 1.25 H new ATOM 0 HB3 LEU B 5 -3.557 -1.585 7.045 1.00 1.25 H new ATOM 0 HG LEU B 5 -1.456 -1.083 5.768 1.00 1.44 H new ATOM 0 HD11 LEU B 5 -2.101 1.237 5.195 1.00 3.25 H new ATOM 0 HD12 LEU B 5 -3.474 0.108 5.270 1.00 3.25 H new ATOM 0 HD13 LEU B 5 -3.188 1.250 6.604 1.00 3.25 H new ATOM 0 HD21 LEU B 5 -0.065 0.833 6.423 1.00 3.37 H new ATOM 0 HD22 LEU B 5 -0.822 0.796 8.033 1.00 3.37 H new ATOM 0 HD23 LEU B 5 0.129 -0.597 7.465 1.00 3.37 H new ATOM 1579 N GLU B 6 -4.942 0.567 8.927 1.00 1.41 N ATOM 1580 CA GLU B 6 -5.658 1.839 9.006 1.00 1.50 C ATOM 1581 C GLU B 6 -5.313 2.605 10.299 1.00 1.61 C ATOM 1582 O GLU B 6 -5.284 3.834 10.284 1.00 1.81 O ATOM 1583 CB GLU B 6 -7.159 1.601 8.833 1.00 1.50 C ATOM 1584 CG GLU B 6 -7.949 2.904 8.728 1.00 1.46 C ATOM 1585 CD GLU B 6 -9.392 2.630 8.329 1.00 3.00 C ATOM 1586 OE1 GLU B 6 -10.007 1.692 8.877 1.00 4.32 O ATOM 1587 OE2 GLU B 6 -9.973 3.381 7.514 1.00 3.89 O ATOM 0 H GLU B 6 -5.543 -0.254 8.853 1.00 1.41 H new ATOM 0 HA GLU B 6 -5.332 2.483 8.189 1.00 1.50 H new ATOM 0 HB2 GLU B 6 -7.328 1.004 7.937 1.00 1.50 H new ATOM 0 HB3 GLU B 6 -7.531 1.021 9.677 1.00 1.50 H new ATOM 0 HG2 GLU B 6 -7.924 3.428 9.684 1.00 1.46 H new ATOM 0 HG3 GLU B 6 -7.482 3.560 7.993 1.00 1.46 H new ATOM 1594 N LYS B 7 -4.953 1.926 11.398 1.00 1.50 N ATOM 1595 CA LYS B 7 -4.508 2.597 12.638 1.00 1.60 C ATOM 1596 C LYS B 7 -3.085 3.172 12.507 1.00 1.62 C ATOM 1597 O LYS B 7 -2.742 4.183 13.134 1.00 1.67 O ATOM 1598 CB LYS B 7 -4.583 1.639 13.849 1.00 1.63 C ATOM 1599 CG LYS B 7 -5.718 0.604 13.842 1.00 1.78 C ATOM 1600 CD LYS B 7 -7.131 1.161 13.608 1.00 2.56 C ATOM 1601 CE LYS B 7 -7.839 1.473 14.931 1.00 3.50 C ATOM 1602 NZ LYS B 7 -9.302 1.551 14.734 1.00 4.46 N ATOM 0 H LYS B 7 -4.960 0.908 11.458 1.00 1.50 H new ATOM 0 HA LYS B 7 -5.191 3.430 12.805 1.00 1.60 H new ATOM 0 HB2 LYS B 7 -3.636 1.104 13.919 1.00 1.63 H new ATOM 0 HB3 LYS B 7 -4.677 2.241 14.753 1.00 1.63 H new ATOM 0 HG2 LYS B 7 -5.506 -0.134 13.068 1.00 1.78 H new ATOM 0 HG3 LYS B 7 -5.709 0.077 14.796 1.00 1.78 H new ATOM 0 HD2 LYS B 7 -7.071 2.067 13.004 1.00 2.56 H new ATOM 0 HD3 LYS B 7 -7.719 0.439 13.041 1.00 2.56 H new ATOM 0 HE2 LYS B 7 -7.606 0.701 15.665 1.00 3.50 H new ATOM 0 HE3 LYS B 7 -7.470 2.417 15.333 1.00 3.50 H new ATOM 0 HZ1 LYS B 7 -9.678 2.375 15.245 1.00 4.46 H new ATOM 0 HZ2 LYS B 7 -9.511 1.647 13.720 1.00 4.46 H new ATOM 0 HZ3 LYS B 7 -9.748 0.685 15.099 1.00 4.46 H new ATOM 1616 N ALA B 8 -2.245 2.534 11.691 1.00 1.64 N ATOM 1617 CA ALA B 8 -0.921 3.025 11.314 1.00 1.63 C ATOM 1618 C ALA B 8 -1.025 4.186 10.315 1.00 1.41 C ATOM 1619 O ALA B 8 -0.511 5.258 10.619 1.00 1.33 O ATOM 1620 CB ALA B 8 -0.091 1.846 10.811 1.00 1.93 C ATOM 0 H ALA B 8 -2.474 1.637 11.263 1.00 1.64 H new ATOM 0 HA ALA B 8 -0.406 3.446 12.178 1.00 1.63 H new ATOM 0 HB1 ALA B 8 0.901 2.195 10.525 1.00 1.93 H new ATOM 0 HB2 ALA B 8 0.000 1.102 11.602 1.00 1.93 H new ATOM 0 HB3 ALA B 8 -0.581 1.399 9.946 1.00 1.93 H new ATOM 1626 N LEU B 9 -1.756 4.057 9.205 1.00 1.36 N ATOM 1627 CA LEU B 9 -2.058 5.200 8.328 1.00 1.31 C ATOM 1628 C LEU B 9 -2.702 6.383 9.080 1.00 1.16 C ATOM 1629 O LEU B 9 -2.244 7.516 8.896 1.00 1.08 O ATOM 1630 CB LEU B 9 -2.895 4.730 7.120 1.00 1.36 C ATOM 1631 CG LEU B 9 -2.111 4.668 5.790 1.00 1.03 C ATOM 1632 CD1 LEU B 9 -1.716 6.062 5.287 1.00 1.49 C ATOM 1633 CD2 LEU B 9 -0.852 3.789 5.893 1.00 0.89 C ATOM 0 H LEU B 9 -2.152 3.172 8.888 1.00 1.36 H new ATOM 0 HA LEU B 9 -1.113 5.593 7.952 1.00 1.31 H new ATOM 0 HB2 LEU B 9 -3.300 3.741 7.336 1.00 1.36 H new ATOM 0 HB3 LEU B 9 -3.744 5.403 6.997 1.00 1.36 H new ATOM 0 HG LEU B 9 -2.793 4.215 5.070 1.00 1.03 H new ATOM 0 HD11 LEU B 9 -1.167 5.969 4.350 1.00 1.49 H new ATOM 0 HD12 LEU B 9 -2.614 6.658 5.124 1.00 1.49 H new ATOM 0 HD13 LEU B 9 -1.086 6.552 6.029 1.00 1.49 H new ATOM 0 HD21 LEU B 9 -0.336 3.778 4.933 1.00 0.89 H new ATOM 0 HD22 LEU B 9 -0.188 4.193 6.657 1.00 0.89 H new ATOM 0 HD23 LEU B 9 -1.139 2.773 6.162 1.00 0.89 H new ATOM 1645 N THR B 10 -3.651 6.127 10.004 1.00 1.17 N ATOM 1646 CA THR B 10 -4.164 7.135 10.954 1.00 1.07 C ATOM 1647 C THR B 10 -3.009 7.798 11.693 1.00 0.89 C ATOM 1648 O THR B 10 -2.864 9.010 11.586 1.00 0.69 O ATOM 1649 CB THR B 10 -5.165 6.561 11.965 1.00 1.23 C ATOM 1650 OG1 THR B 10 -6.282 6.063 11.283 1.00 1.45 O ATOM 1651 CG2 THR B 10 -5.686 7.632 12.927 1.00 1.57 C ATOM 0 H THR B 10 -4.085 5.210 10.112 1.00 1.17 H new ATOM 0 HA THR B 10 -4.702 7.873 10.359 1.00 1.07 H new ATOM 0 HB THR B 10 -4.641 5.786 12.524 1.00 1.23 H new ATOM 0 HG1 THR B 10 -6.168 5.102 11.126 1.00 1.45 H new ATOM 0 HG21 THR B 10 -6.392 7.182 13.625 1.00 1.57 H new ATOM 0 HG22 THR B 10 -4.851 8.061 13.481 1.00 1.57 H new ATOM 0 HG23 THR B 10 -6.187 8.417 12.361 1.00 1.57 H new ATOM 1659 N THR B 11 -2.145 7.023 12.361 1.00 1.03 N ATOM 1660 CA THR B 11 -0.988 7.537 13.126 1.00 0.96 C ATOM 1661 C THR B 11 -0.120 8.460 12.271 1.00 0.92 C ATOM 1662 O THR B 11 0.242 9.540 12.740 1.00 0.89 O ATOM 1663 CB THR B 11 -0.162 6.374 13.692 1.00 1.01 C ATOM 1664 OG1 THR B 11 -0.934 5.688 14.648 1.00 1.19 O ATOM 1665 CG2 THR B 11 1.131 6.801 14.384 1.00 0.86 C ATOM 0 H THR B 11 -2.226 6.007 12.389 1.00 1.03 H new ATOM 0 HA THR B 11 -1.369 8.127 13.959 1.00 0.96 H new ATOM 0 HB THR B 11 0.108 5.757 12.835 1.00 1.01 H new ATOM 0 HG1 THR B 11 -1.611 5.145 14.193 1.00 1.19 H new ATOM 0 HG21 THR B 11 1.654 5.919 14.755 1.00 0.86 H new ATOM 0 HG22 THR B 11 1.767 7.328 13.673 1.00 0.86 H new ATOM 0 HG23 THR B 11 0.896 7.461 15.219 1.00 0.86 H new ATOM 1673 N MET B 12 0.166 8.076 11.025 1.00 0.96 N ATOM 1674 CA MET B 12 0.970 8.869 10.087 1.00 0.97 C ATOM 1675 C MET B 12 0.285 10.189 9.712 1.00 0.94 C ATOM 1676 O MET B 12 0.931 11.236 9.736 1.00 0.93 O ATOM 1677 CB MET B 12 1.304 8.034 8.839 1.00 1.08 C ATOM 1678 CG MET B 12 2.187 6.829 9.200 1.00 1.46 C ATOM 1679 SD MET B 12 2.440 5.655 7.848 1.00 1.75 S ATOM 1680 CE MET B 12 4.164 6.020 7.422 1.00 1.00 C ATOM 0 H MET B 12 -0.158 7.193 10.632 1.00 0.96 H new ATOM 0 HA MET B 12 1.901 9.135 10.587 1.00 0.97 H new ATOM 0 HB2 MET B 12 0.382 7.687 8.373 1.00 1.08 H new ATOM 0 HB3 MET B 12 1.816 8.658 8.107 1.00 1.08 H new ATOM 0 HG2 MET B 12 3.158 7.193 9.535 1.00 1.46 H new ATOM 0 HG3 MET B 12 1.736 6.303 10.042 1.00 1.46 H new ATOM 0 HE1 MET B 12 4.540 5.256 6.742 1.00 1.00 H new ATOM 0 HE2 MET B 12 4.221 6.996 6.939 1.00 1.00 H new ATOM 0 HE3 MET B 12 4.769 6.028 8.329 1.00 1.00 H new ATOM 1690 N VAL B 13 -1.025 10.194 9.430 1.00 0.99 N ATOM 1691 CA VAL B 13 -1.727 11.460 9.135 1.00 0.98 C ATOM 1692 C VAL B 13 -1.856 12.349 10.392 1.00 0.93 C ATOM 1693 O VAL B 13 -1.722 13.571 10.290 1.00 0.93 O ATOM 1694 CB VAL B 13 -3.077 11.290 8.396 1.00 1.03 C ATOM 1695 CG1 VAL B 13 -2.888 10.611 7.027 1.00 1.08 C ATOM 1696 CG2 VAL B 13 -4.162 10.541 9.176 1.00 1.03 C ATOM 0 H VAL B 13 -1.612 9.360 9.399 1.00 0.99 H new ATOM 0 HA VAL B 13 -1.088 11.981 8.422 1.00 0.98 H new ATOM 0 HB VAL B 13 -3.434 12.313 8.275 1.00 1.03 H new ATOM 0 HG11 VAL B 13 -3.855 10.507 6.536 1.00 1.08 H new ATOM 0 HG12 VAL B 13 -2.229 11.219 6.407 1.00 1.08 H new ATOM 0 HG13 VAL B 13 -2.445 9.625 7.168 1.00 1.08 H new ATOM 0 HG21 VAL B 13 -5.066 10.476 8.571 1.00 1.03 H new ATOM 0 HG22 VAL B 13 -3.812 9.537 9.413 1.00 1.03 H new ATOM 0 HG23 VAL B 13 -4.381 11.076 10.100 1.00 1.03 H new ATOM 1706 N THR B 14 -2.020 11.749 11.582 1.00 0.91 N ATOM 1707 CA THR B 14 -2.044 12.444 12.882 1.00 0.91 C ATOM 1708 C THR B 14 -0.697 13.075 13.237 1.00 0.91 C ATOM 1709 O THR B 14 -0.699 14.130 13.874 1.00 1.14 O ATOM 1710 CB THR B 14 -2.511 11.476 13.981 1.00 0.94 C ATOM 1711 OG1 THR B 14 -3.764 10.947 13.617 1.00 1.13 O ATOM 1712 CG2 THR B 14 -2.697 12.138 15.345 1.00 1.18 C ATOM 0 H THR B 14 -2.143 10.740 11.670 1.00 0.91 H new ATOM 0 HA THR B 14 -2.754 13.268 12.804 1.00 0.91 H new ATOM 0 HB THR B 14 -1.732 10.719 14.070 1.00 0.94 H new ATOM 0 HG1 THR B 14 -3.644 10.276 12.913 1.00 1.13 H new ATOM 0 HG21 THR B 14 -3.027 11.393 16.069 1.00 1.18 H new ATOM 0 HG22 THR B 14 -1.751 12.568 15.673 1.00 1.18 H new ATOM 0 HG23 THR B 14 -3.446 12.926 15.268 1.00 1.18 H new ATOM 1720 N THR B 15 0.431 12.484 12.821 1.00 0.73 N ATOM 1721 CA THR B 15 1.773 13.055 13.038 1.00 0.73 C ATOM 1722 C THR B 15 2.041 14.190 12.055 1.00 0.71 C ATOM 1723 O THR B 15 2.197 15.324 12.502 1.00 0.86 O ATOM 1724 CB THR B 15 2.899 11.997 13.028 1.00 0.73 C ATOM 1725 OG1 THR B 15 2.553 10.830 12.326 1.00 1.43 O ATOM 1726 CG2 THR B 15 3.243 11.562 14.449 1.00 1.12 C ATOM 0 H THR B 15 0.442 11.594 12.323 1.00 0.73 H new ATOM 0 HA THR B 15 1.780 13.469 14.046 1.00 0.73 H new ATOM 0 HB THR B 15 3.742 12.482 12.535 1.00 0.73 H new ATOM 0 HG1 THR B 15 1.827 10.369 12.796 1.00 1.43 H new ATOM 0 HG21 THR B 15 4.038 10.817 14.419 1.00 1.12 H new ATOM 0 HG22 THR B 15 3.577 12.426 15.023 1.00 1.12 H new ATOM 0 HG23 THR B 15 2.360 11.132 14.922 1.00 1.12 H new ATOM 1734 N PHE B 16 1.996 13.926 10.749 1.00 0.67 N ATOM 1735 CA PHE B 16 2.214 14.898 9.667 1.00 0.68 C ATOM 1736 C PHE B 16 1.332 16.165 9.758 1.00 0.68 C ATOM 1737 O PHE B 16 1.803 17.278 9.502 1.00 0.73 O ATOM 1738 CB PHE B 16 1.990 14.142 8.346 1.00 0.73 C ATOM 1739 CG PHE B 16 2.205 14.940 7.071 1.00 0.77 C ATOM 1740 CD1 PHE B 16 1.143 15.688 6.533 1.00 1.80 C ATOM 1741 CD2 PHE B 16 3.440 14.907 6.396 1.00 1.64 C ATOM 1742 CE1 PHE B 16 1.322 16.415 5.346 1.00 1.88 C ATOM 1743 CE2 PHE B 16 3.604 15.604 5.185 1.00 1.60 C ATOM 1744 CZ PHE B 16 2.550 16.379 4.666 1.00 0.88 C ATOM 0 H PHE B 16 1.798 12.989 10.397 1.00 0.67 H new ATOM 0 HA PHE B 16 3.229 15.289 9.742 1.00 0.68 H new ATOM 0 HB2 PHE B 16 2.657 13.280 8.327 1.00 0.73 H new ATOM 0 HB3 PHE B 16 0.971 13.756 8.341 1.00 0.73 H new ATOM 0 HD1 PHE B 16 0.187 15.703 7.035 1.00 1.80 H new ATOM 0 HD2 PHE B 16 4.264 14.345 6.809 1.00 1.64 H new ATOM 0 HE1 PHE B 16 0.509 17.007 4.952 1.00 1.88 H new ATOM 0 HE2 PHE B 16 4.541 15.544 4.652 1.00 1.60 H new ATOM 0 HZ PHE B 16 2.684 16.941 3.753 1.00 0.88 H new ATOM 1754 N HIS B 17 0.055 16.041 10.133 1.00 0.69 N ATOM 1755 CA HIS B 17 -0.862 17.191 10.203 1.00 0.68 C ATOM 1756 C HIS B 17 -0.486 18.182 11.321 1.00 0.67 C ATOM 1757 O HIS B 17 -0.779 19.371 11.223 1.00 0.82 O ATOM 1758 CB HIS B 17 -2.308 16.698 10.310 1.00 0.72 C ATOM 1759 CG HIS B 17 -3.317 17.818 10.261 1.00 1.01 C ATOM 1760 ND1 HIS B 17 -4.163 18.192 11.280 1.00 1.98 N ATOM 1761 CD2 HIS B 17 -3.528 18.693 9.226 1.00 1.15 C ATOM 1762 CE1 HIS B 17 -4.855 19.270 10.873 1.00 2.25 C ATOM 1763 NE2 HIS B 17 -4.514 19.605 9.620 1.00 1.74 N ATOM 0 H HIS B 17 -0.372 15.152 10.395 1.00 0.69 H new ATOM 0 HA HIS B 17 -0.766 17.759 9.278 1.00 0.68 H new ATOM 0 HB2 HIS B 17 -2.509 15.999 9.498 1.00 0.72 H new ATOM 0 HB3 HIS B 17 -2.430 16.147 11.242 1.00 0.72 H new ATOM 0 HD2 HIS B 17 -3.021 18.680 8.272 1.00 1.15 H new ATOM 0 HE1 HIS B 17 -5.585 19.794 11.472 1.00 2.25 H new ATOM 0 HE2 HIS B 17 -4.896 20.371 9.065 1.00 1.74 H new ATOM 1772 N LYS B 18 0.251 17.750 12.348 1.00 0.61 N ATOM 1773 CA LYS B 18 0.732 18.620 13.426 1.00 0.66 C ATOM 1774 C LYS B 18 1.792 19.655 12.960 1.00 0.68 C ATOM 1775 O LYS B 18 2.206 20.521 13.745 1.00 0.88 O ATOM 1776 CB LYS B 18 1.198 17.655 14.535 1.00 0.79 C ATOM 1777 CG LYS B 18 1.281 18.217 15.960 1.00 1.34 C ATOM 1778 CD LYS B 18 2.727 18.481 16.409 1.00 2.18 C ATOM 1779 CE LYS B 18 2.826 18.606 17.934 1.00 3.34 C ATOM 1780 NZ LYS B 18 2.684 17.281 18.598 1.00 4.14 N ATOM 0 H LYS B 18 0.534 16.776 12.456 1.00 0.61 H new ATOM 0 HA LYS B 18 -0.051 19.279 13.803 1.00 0.66 H new ATOM 0 HB2 LYS B 18 0.521 16.801 14.547 1.00 0.79 H new ATOM 0 HB3 LYS B 18 2.183 17.277 14.262 1.00 0.79 H new ATOM 0 HG2 LYS B 18 0.713 19.146 16.014 1.00 1.34 H new ATOM 0 HG3 LYS B 18 0.812 17.516 16.651 1.00 1.34 H new ATOM 0 HD2 LYS B 18 3.370 17.670 16.067 1.00 2.18 H new ATOM 0 HD3 LYS B 18 3.093 19.396 15.943 1.00 2.18 H new ATOM 0 HE2 LYS B 18 3.785 19.048 18.203 1.00 3.34 H new ATOM 0 HE3 LYS B 18 2.051 19.281 18.296 1.00 3.34 H new ATOM 0 HZ1 LYS B 18 2.987 17.356 19.590 1.00 4.14 H new ATOM 0 HZ2 LYS B 18 1.689 16.979 18.562 1.00 4.14 H new ATOM 0 HZ3 LYS B 18 3.276 16.581 18.107 1.00 4.14 H new ATOM 1794 N TYR B 19 2.258 19.541 11.708 1.00 0.66 N ATOM 1795 CA TYR B 19 3.320 20.356 11.090 1.00 0.72 C ATOM 1796 C TYR B 19 2.927 20.932 9.712 1.00 0.86 C ATOM 1797 O TYR B 19 3.363 22.026 9.369 1.00 1.36 O ATOM 1798 CB TYR B 19 4.604 19.518 10.995 1.00 0.71 C ATOM 1799 CG TYR B 19 5.111 18.970 12.321 1.00 0.69 C ATOM 1800 CD1 TYR B 19 4.517 17.815 12.866 1.00 2.01 C ATOM 1801 CD2 TYR B 19 6.203 19.564 12.985 1.00 1.70 C ATOM 1802 CE1 TYR B 19 5.016 17.236 14.044 1.00 2.02 C ATOM 1803 CE2 TYR B 19 6.708 18.992 14.171 1.00 1.76 C ATOM 1804 CZ TYR B 19 6.115 17.823 14.704 1.00 0.83 C ATOM 1805 OH TYR B 19 6.605 17.252 15.835 1.00 0.96 O ATOM 0 H TYR B 19 1.887 18.843 11.064 1.00 0.66 H new ATOM 0 HA TYR B 19 3.486 21.223 11.729 1.00 0.72 H new ATOM 0 HB2 TYR B 19 4.426 18.683 10.318 1.00 0.71 H new ATOM 0 HB3 TYR B 19 5.388 20.130 10.548 1.00 0.71 H new ATOM 0 HD1 TYR B 19 3.667 17.369 12.372 1.00 2.01 H new ATOM 0 HD2 TYR B 19 6.654 20.460 12.584 1.00 1.70 H new ATOM 0 HE1 TYR B 19 4.559 16.343 14.444 1.00 2.02 H new ATOM 0 HE2 TYR B 19 7.549 19.447 14.673 1.00 1.76 H new ATOM 0 HH TYR B 19 7.363 17.778 16.165 1.00 0.96 H new ATOM 1815 N SER B 20 2.060 20.260 8.949 1.00 0.89 N ATOM 1816 CA SER B 20 1.420 20.823 7.753 1.00 0.92 C ATOM 1817 C SER B 20 0.204 21.692 8.095 1.00 1.09 C ATOM 1818 O SER B 20 0.030 22.766 7.529 1.00 1.49 O ATOM 1819 CB SER B 20 1.023 19.704 6.774 1.00 0.99 C ATOM 1820 OG SER B 20 0.356 18.621 7.406 1.00 1.62 O ATOM 0 H SER B 20 1.779 19.299 9.145 1.00 0.89 H new ATOM 0 HA SER B 20 2.154 21.471 7.274 1.00 0.92 H new ATOM 0 HB2 SER B 20 0.377 20.119 6.000 1.00 0.99 H new ATOM 0 HB3 SER B 20 1.918 19.331 6.276 1.00 0.99 H new ATOM 0 HG SER B 20 0.621 17.780 6.979 1.00 1.62 H new ATOM 1826 N GLY B 21 -0.597 21.304 9.097 1.00 1.15 N ATOM 1827 CA GLY B 21 -1.801 22.006 9.560 1.00 1.39 C ATOM 1828 C GLY B 21 -1.525 23.313 10.313 1.00 1.51 C ATOM 1829 O GLY B 21 -2.261 23.646 11.234 1.00 1.83 O ATOM 0 H GLY B 21 -0.415 20.454 9.630 1.00 1.15 H new ATOM 0 HA2 GLY B 21 -2.433 22.224 8.699 1.00 1.39 H new ATOM 0 HA3 GLY B 21 -2.367 21.339 10.210 1.00 1.39 H new ATOM 1832 N ARG B 22 -0.453 24.023 9.942 1.00 1.61 N ATOM 1833 CA ARG B 22 0.037 25.256 10.566 1.00 1.81 C ATOM 1834 C ARG B 22 -0.199 26.507 9.719 1.00 2.04 C ATOM 1835 O ARG B 22 -0.591 27.530 10.274 1.00 2.52 O ATOM 1836 CB ARG B 22 1.550 25.126 10.806 1.00 1.98 C ATOM 1837 CG ARG B 22 1.864 24.087 11.890 1.00 2.17 C ATOM 1838 CD ARG B 22 3.364 24.017 12.162 1.00 1.93 C ATOM 1839 NE ARG B 22 3.624 23.109 13.289 1.00 3.00 N ATOM 1840 CZ ARG B 22 4.779 22.954 13.914 1.00 3.88 C ATOM 1841 NH1 ARG B 22 5.873 23.564 13.538 1.00 3.90 N ATOM 1842 NH2 ARG B 22 4.834 22.150 14.950 1.00 5.57 N ATOM 0 H ARG B 22 0.128 23.736 9.154 1.00 1.61 H new ATOM 0 HA ARG B 22 -0.522 25.377 11.494 1.00 1.81 H new ATOM 0 HB2 ARG B 22 2.043 24.843 9.876 1.00 1.98 H new ATOM 0 HB3 ARG B 22 1.956 26.094 11.100 1.00 1.98 H new ATOM 0 HG2 ARG B 22 1.336 24.343 12.808 1.00 2.17 H new ATOM 0 HG3 ARG B 22 1.502 23.108 11.576 1.00 2.17 H new ATOM 0 HD2 ARG B 22 3.888 23.667 11.273 1.00 1.93 H new ATOM 0 HD3 ARG B 22 3.749 25.011 12.388 1.00 1.93 H new ATOM 0 HE ARG B 22 2.840 22.546 13.620 1.00 3.00 H new ATOM 0 HH11 ARG B 22 5.857 24.189 12.732 1.00 3.90 H new ATOM 0 HH12 ARG B 22 6.742 23.414 14.050 1.00 3.90 H new ATOM 0 HH21 ARG B 22 3.995 21.658 15.259 1.00 5.57 H new ATOM 0 HH22 ARG B 22 5.715 22.017 15.446 1.00 5.57 H new ATOM 1856 N GLU B 23 0.104 26.447 8.418 1.00 1.93 N ATOM 1857 CA GLU B 23 0.250 27.602 7.525 1.00 2.22 C ATOM 1858 C GLU B 23 0.655 27.154 6.113 1.00 2.25 C ATOM 1859 O GLU B 23 1.108 26.024 5.928 1.00 3.06 O ATOM 1860 CB GLU B 23 1.302 28.589 8.081 1.00 2.84 C ATOM 1861 CG GLU B 23 0.736 29.992 8.276 1.00 4.14 C ATOM 1862 CD GLU B 23 0.531 30.648 6.918 1.00 5.53 C ATOM 1863 OE1 GLU B 23 -0.525 30.385 6.308 1.00 6.70 O ATOM 1864 OE2 GLU B 23 1.469 31.331 6.465 1.00 6.05 O ATOM 0 H GLU B 23 0.260 25.560 7.940 1.00 1.93 H new ATOM 0 HA GLU B 23 -0.715 28.105 7.469 1.00 2.22 H new ATOM 0 HB2 GLU B 23 1.678 28.216 9.034 1.00 2.84 H new ATOM 0 HB3 GLU B 23 2.151 28.634 7.399 1.00 2.84 H new ATOM 0 HG2 GLU B 23 -0.210 29.943 8.815 1.00 4.14 H new ATOM 0 HG3 GLU B 23 1.417 30.590 8.882 1.00 4.14 H new ATOM 1871 N GLY B 24 0.516 28.045 5.131 1.00 2.64 N ATOM 1872 CA GLY B 24 0.858 27.842 3.718 1.00 3.24 C ATOM 1873 C GLY B 24 -0.170 26.962 3.011 1.00 2.76 C ATOM 1874 O GLY B 24 -0.817 27.388 2.059 1.00 3.63 O ATOM 0 H GLY B 24 0.142 28.978 5.306 1.00 2.64 H new ATOM 0 HA2 GLY B 24 0.918 28.807 3.215 1.00 3.24 H new ATOM 0 HA3 GLY B 24 1.843 27.382 3.644 1.00 3.24 H new ATOM 1877 N SER B 25 -0.351 25.748 3.513 1.00 1.93 N ATOM 1878 CA SER B 25 -1.343 24.781 3.050 1.00 1.61 C ATOM 1879 C SER B 25 -1.398 23.619 4.035 1.00 1.53 C ATOM 1880 O SER B 25 -0.396 22.938 4.232 1.00 1.75 O ATOM 1881 CB SER B 25 -1.006 24.274 1.641 1.00 1.94 C ATOM 1882 OG SER B 25 -1.787 23.140 1.318 1.00 2.80 O ATOM 0 H SER B 25 0.212 25.393 4.286 1.00 1.93 H new ATOM 0 HA SER B 25 -2.317 25.267 2.999 1.00 1.61 H new ATOM 0 HB2 SER B 25 -1.185 25.065 0.912 1.00 1.94 H new ATOM 0 HB3 SER B 25 0.053 24.021 1.584 1.00 1.94 H new ATOM 0 HG SER B 25 -1.559 22.832 0.416 1.00 2.80 H new ATOM 1888 N LYS B 26 -2.568 23.337 4.625 1.00 1.63 N ATOM 1889 CA LYS B 26 -2.724 22.285 5.649 1.00 1.64 C ATOM 1890 C LYS B 26 -2.337 20.871 5.168 1.00 1.58 C ATOM 1891 O LYS B 26 -2.308 19.928 5.953 1.00 1.71 O ATOM 1892 CB LYS B 26 -4.167 22.294 6.172 1.00 1.75 C ATOM 1893 CG LYS B 26 -4.584 23.619 6.841 1.00 2.23 C ATOM 1894 CD LYS B 26 -5.986 23.542 7.464 1.00 2.18 C ATOM 1895 CE LYS B 26 -7.010 23.139 6.400 1.00 1.76 C ATOM 1896 NZ LYS B 26 -8.396 23.071 6.912 1.00 2.48 N ATOM 0 H LYS B 26 -3.435 23.829 4.409 1.00 1.63 H new ATOM 0 HA LYS B 26 -2.022 22.523 6.448 1.00 1.64 H new ATOM 0 HB2 LYS B 26 -4.844 22.089 5.343 1.00 1.75 H new ATOM 0 HB3 LYS B 26 -4.287 21.483 6.890 1.00 1.75 H new ATOM 0 HG2 LYS B 26 -3.859 23.877 7.613 1.00 2.23 H new ATOM 0 HG3 LYS B 26 -4.561 24.420 6.102 1.00 2.23 H new ATOM 0 HD2 LYS B 26 -5.992 22.818 8.279 1.00 2.18 H new ATOM 0 HD3 LYS B 26 -6.256 24.507 7.893 1.00 2.18 H new ATOM 0 HE2 LYS B 26 -6.969 23.854 5.578 1.00 1.76 H new ATOM 0 HE3 LYS B 26 -6.734 22.167 5.991 1.00 1.76 H new ATOM 0 HZ1 LYS B 26 -8.724 22.084 6.897 1.00 2.48 H new ATOM 0 HZ2 LYS B 26 -8.424 23.430 7.888 1.00 2.48 H new ATOM 0 HZ3 LYS B 26 -9.017 23.651 6.312 1.00 2.48 H new ATOM 1910 N LEU B 27 -2.089 20.716 3.866 1.00 1.52 N ATOM 1911 CA LEU B 27 -1.749 19.490 3.156 1.00 1.57 C ATOM 1912 C LEU B 27 -0.230 19.260 3.032 1.00 1.32 C ATOM 1913 O LEU B 27 0.212 18.133 2.827 1.00 1.47 O ATOM 1914 CB LEU B 27 -2.373 19.703 1.769 1.00 1.98 C ATOM 1915 CG LEU B 27 -2.983 18.492 1.075 1.00 1.80 C ATOM 1916 CD1 LEU B 27 -1.968 17.440 0.613 1.00 2.54 C ATOM 1917 CD2 LEU B 27 -4.113 17.842 1.894 1.00 2.58 C ATOM 0 H LEU B 27 -2.125 21.514 3.232 1.00 1.52 H new ATOM 0 HA LEU B 27 -2.116 18.609 3.682 1.00 1.57 H new ATOM 0 HB2 LEU B 27 -3.149 20.462 1.863 1.00 1.98 H new ATOM 0 HB3 LEU B 27 -1.604 20.113 1.114 1.00 1.98 H new ATOM 0 HG LEU B 27 -3.418 18.907 0.166 1.00 1.80 H new ATOM 0 HD11 LEU B 27 -2.493 16.615 0.130 1.00 2.54 H new ATOM 0 HD12 LEU B 27 -1.273 17.891 -0.095 1.00 2.54 H new ATOM 0 HD13 LEU B 27 -1.416 17.064 1.474 1.00 2.54 H new ATOM 0 HD21 LEU B 27 -4.510 16.985 1.350 1.00 2.58 H new ATOM 0 HD22 LEU B 27 -3.721 17.512 2.856 1.00 2.58 H new ATOM 0 HD23 LEU B 27 -4.909 18.569 2.056 1.00 2.58 H new ATOM 1929 N THR B 28 0.554 20.341 3.119 1.00 1.13 N ATOM 1930 CA THR B 28 2.013 20.382 2.878 1.00 0.96 C ATOM 1931 C THR B 28 2.814 20.944 4.053 1.00 0.86 C ATOM 1932 O THR B 28 2.255 21.649 4.882 1.00 0.97 O ATOM 1933 CB THR B 28 2.328 21.250 1.661 1.00 0.91 C ATOM 1934 OG1 THR B 28 2.002 22.584 1.994 1.00 1.14 O ATOM 1935 CG2 THR B 28 1.575 20.837 0.397 1.00 1.19 C ATOM 0 H THR B 28 0.178 21.255 3.370 1.00 1.13 H new ATOM 0 HA THR B 28 2.306 19.343 2.724 1.00 0.96 H new ATOM 0 HB THR B 28 3.386 21.130 1.428 1.00 0.91 H new ATOM 0 HG1 THR B 28 2.195 23.168 1.231 1.00 1.14 H new ATOM 0 HG21 THR B 28 1.851 21.499 -0.424 1.00 1.19 H new ATOM 0 HG22 THR B 28 1.835 19.811 0.138 1.00 1.19 H new ATOM 0 HG23 THR B 28 0.502 20.906 0.574 1.00 1.19 H new ATOM 1943 N LEU B 29 4.132 20.739 4.078 1.00 0.81 N ATOM 1944 CA LEU B 29 5.066 21.411 5.006 1.00 0.75 C ATOM 1945 C LEU B 29 6.425 21.671 4.341 1.00 0.72 C ATOM 1946 O LEU B 29 6.720 21.092 3.302 1.00 0.80 O ATOM 1947 CB LEU B 29 5.201 20.630 6.337 1.00 0.75 C ATOM 1948 CG LEU B 29 6.140 19.401 6.332 1.00 0.71 C ATOM 1949 CD1 LEU B 29 6.180 18.781 7.732 1.00 0.84 C ATOM 1950 CD2 LEU B 29 5.702 18.322 5.337 1.00 0.80 C ATOM 0 H LEU B 29 4.597 20.089 3.444 1.00 0.81 H new ATOM 0 HA LEU B 29 4.646 22.385 5.255 1.00 0.75 H new ATOM 0 HB2 LEU B 29 5.551 21.322 7.103 1.00 0.75 H new ATOM 0 HB3 LEU B 29 4.208 20.297 6.638 1.00 0.75 H new ATOM 0 HG LEU B 29 7.124 19.758 6.028 1.00 0.71 H new ATOM 0 HD11 LEU B 29 6.842 17.915 7.728 1.00 0.84 H new ATOM 0 HD12 LEU B 29 6.550 19.517 8.445 1.00 0.84 H new ATOM 0 HD13 LEU B 29 5.176 18.469 8.021 1.00 0.84 H new ATOM 0 HD21 LEU B 29 6.399 17.485 5.378 1.00 0.80 H new ATOM 0 HD22 LEU B 29 4.701 17.975 5.594 1.00 0.80 H new ATOM 0 HD23 LEU B 29 5.694 18.738 4.329 1.00 0.80 H new ATOM 1962 N SER B 30 7.259 22.537 4.914 1.00 0.71 N ATOM 1963 CA SER B 30 8.573 22.830 4.330 1.00 0.77 C ATOM 1964 C SER B 30 9.601 21.703 4.536 1.00 0.78 C ATOM 1965 O SER B 30 9.511 20.928 5.492 1.00 0.78 O ATOM 1966 CB SER B 30 9.111 24.171 4.843 1.00 0.88 C ATOM 1967 OG SER B 30 9.328 24.191 6.242 1.00 1.43 O ATOM 0 H SER B 30 7.054 23.045 5.774 1.00 0.71 H new ATOM 0 HA SER B 30 8.420 22.901 3.253 1.00 0.77 H new ATOM 0 HB2 SER B 30 10.048 24.397 4.334 1.00 0.88 H new ATOM 0 HB3 SER B 30 8.407 24.961 4.580 1.00 0.88 H new ATOM 0 HG SER B 30 9.672 25.070 6.507 1.00 1.43 H new ATOM 1973 N ARG B 31 10.637 21.612 3.691 1.00 0.86 N ATOM 1974 CA ARG B 31 11.724 20.639 3.911 1.00 0.88 C ATOM 1975 C ARG B 31 12.482 20.907 5.225 1.00 0.76 C ATOM 1976 O ARG B 31 12.971 19.969 5.855 1.00 0.82 O ATOM 1977 CB ARG B 31 12.693 20.509 2.714 1.00 1.21 C ATOM 1978 CG ARG B 31 12.116 20.820 1.321 1.00 1.61 C ATOM 1979 CD ARG B 31 12.732 20.006 0.170 1.00 1.38 C ATOM 1980 NE ARG B 31 12.527 18.548 0.276 1.00 2.19 N ATOM 1981 CZ ARG B 31 12.036 17.728 -0.654 1.00 2.65 C ATOM 1982 NH1 ARG B 31 11.508 18.157 -1.777 1.00 2.84 N ATOM 1983 NH2 ARG B 31 12.046 16.426 -0.467 1.00 3.51 N ATOM 0 H ARG B 31 10.748 22.191 2.858 1.00 0.86 H new ATOM 0 HA ARG B 31 11.230 19.671 4.002 1.00 0.88 H new ATOM 0 HB2 ARG B 31 13.540 21.173 2.888 1.00 1.21 H new ATOM 0 HB3 ARG B 31 13.084 19.491 2.701 1.00 1.21 H new ATOM 0 HG2 ARG B 31 11.041 20.640 1.340 1.00 1.61 H new ATOM 0 HG3 ARG B 31 12.258 21.881 1.113 1.00 1.61 H new ATOM 0 HD2 ARG B 31 12.307 20.353 -0.772 1.00 1.38 H new ATOM 0 HD3 ARG B 31 13.802 20.208 0.130 1.00 1.38 H new ATOM 0 HE ARG B 31 12.791 18.118 1.163 1.00 2.19 H new ATOM 0 HH11 ARG B 31 11.460 19.158 -1.969 1.00 2.84 H new ATOM 0 HH12 ARG B 31 11.146 17.490 -2.458 1.00 2.84 H new ATOM 0 HH21 ARG B 31 12.431 16.037 0.394 1.00 3.51 H new ATOM 0 HH22 ARG B 31 11.669 15.805 -1.183 1.00 3.51 H new ATOM 1997 N LYS B 32 12.506 22.158 5.694 1.00 0.77 N ATOM 1998 CA LYS B 32 12.911 22.578 7.044 1.00 0.78 C ATOM 1999 C LYS B 32 12.058 21.968 8.179 1.00 0.72 C ATOM 2000 O LYS B 32 12.628 21.396 9.112 1.00 0.82 O ATOM 2001 CB LYS B 32 12.925 24.111 7.071 1.00 1.06 C ATOM 2002 CG LYS B 32 14.314 24.556 6.606 1.00 1.82 C ATOM 2003 CD LYS B 32 14.385 26.058 6.352 1.00 2.77 C ATOM 2004 CE LYS B 32 15.840 26.549 6.419 1.00 3.38 C ATOM 2005 NZ LYS B 32 16.732 25.800 5.504 1.00 4.54 N ATOM 0 H LYS B 32 12.229 22.949 5.113 1.00 0.77 H new ATOM 0 HA LYS B 32 13.909 22.188 7.246 1.00 0.78 H new ATOM 0 HB2 LYS B 32 12.152 24.515 6.417 1.00 1.06 H new ATOM 0 HB3 LYS B 32 12.718 24.481 8.075 1.00 1.06 H new ATOM 0 HG2 LYS B 32 15.052 24.282 7.360 1.00 1.82 H new ATOM 0 HG3 LYS B 32 14.577 24.022 5.693 1.00 1.82 H new ATOM 0 HD2 LYS B 32 13.963 26.287 5.374 1.00 2.77 H new ATOM 0 HD3 LYS B 32 13.783 26.586 7.091 1.00 2.77 H new ATOM 0 HE2 LYS B 32 15.875 27.609 6.168 1.00 3.38 H new ATOM 0 HE3 LYS B 32 16.207 26.451 7.441 1.00 3.38 H new ATOM 0 HZ1 LYS B 32 17.694 26.190 5.561 1.00 4.54 H new ATOM 0 HZ2 LYS B 32 16.748 24.797 5.779 1.00 4.54 H new ATOM 0 HZ3 LYS B 32 16.381 25.886 4.529 1.00 4.54 H new ATOM 2019 N GLU B 33 10.723 22.029 8.095 1.00 0.66 N ATOM 2020 CA GLU B 33 9.839 21.383 9.082 1.00 0.65 C ATOM 2021 C GLU B 33 9.940 19.850 9.013 1.00 0.62 C ATOM 2022 O GLU B 33 10.049 19.211 10.054 1.00 0.68 O ATOM 2023 CB GLU B 33 8.389 21.851 8.903 1.00 0.79 C ATOM 2024 CG GLU B 33 8.146 23.264 9.457 1.00 1.34 C ATOM 2025 CD GLU B 33 7.424 23.255 10.810 1.00 1.53 C ATOM 2026 OE1 GLU B 33 7.960 22.700 11.798 1.00 2.72 O ATOM 2027 OE2 GLU B 33 6.310 23.820 10.881 1.00 2.58 O ATOM 0 H GLU B 33 10.227 22.521 7.352 1.00 0.66 H new ATOM 0 HA GLU B 33 10.173 21.686 10.074 1.00 0.65 H new ATOM 0 HB2 GLU B 33 8.134 21.833 7.843 1.00 0.79 H new ATOM 0 HB3 GLU B 33 7.721 21.150 9.404 1.00 0.79 H new ATOM 0 HG2 GLU B 33 9.102 23.777 9.564 1.00 1.34 H new ATOM 0 HG3 GLU B 33 7.556 23.834 8.739 1.00 1.34 H new ATOM 2034 N LEU B 34 10.004 19.248 7.817 1.00 0.59 N ATOM 2035 CA LEU B 34 10.189 17.790 7.657 1.00 0.59 C ATOM 2036 C LEU B 34 11.487 17.305 8.323 1.00 0.59 C ATOM 2037 O LEU B 34 11.525 16.272 8.992 1.00 0.65 O ATOM 2038 CB LEU B 34 10.200 17.435 6.162 1.00 0.63 C ATOM 2039 CG LEU B 34 10.045 15.914 5.919 1.00 0.77 C ATOM 2040 CD1 LEU B 34 8.588 15.576 5.589 1.00 1.52 C ATOM 2041 CD2 LEU B 34 10.970 15.399 4.807 1.00 1.12 C ATOM 0 H LEU B 34 9.930 19.752 6.933 1.00 0.59 H new ATOM 0 HA LEU B 34 9.358 17.287 8.151 1.00 0.59 H new ATOM 0 HB2 LEU B 34 9.392 17.965 5.659 1.00 0.63 H new ATOM 0 HB3 LEU B 34 11.133 17.779 5.716 1.00 0.63 H new ATOM 0 HG LEU B 34 10.338 15.412 6.841 1.00 0.77 H new ATOM 0 HD11 LEU B 34 8.493 14.503 5.420 1.00 1.52 H new ATOM 0 HD12 LEU B 34 7.949 15.871 6.421 1.00 1.52 H new ATOM 0 HD13 LEU B 34 8.284 16.113 4.690 1.00 1.52 H new ATOM 0 HD21 LEU B 34 10.821 14.327 4.677 1.00 1.12 H new ATOM 0 HD22 LEU B 34 10.738 15.913 3.874 1.00 1.12 H new ATOM 0 HD23 LEU B 34 12.008 15.591 5.079 1.00 1.12 H new ATOM 2053 N LYS B 35 12.576 18.067 8.177 1.00 0.64 N ATOM 2054 CA LYS B 35 13.841 17.790 8.851 1.00 0.74 C ATOM 2055 C LYS B 35 13.702 17.792 10.383 1.00 0.76 C ATOM 2056 O LYS B 35 14.398 17.037 11.058 1.00 0.90 O ATOM 2057 CB LYS B 35 14.869 18.823 8.346 1.00 0.87 C ATOM 2058 CG LYS B 35 16.307 18.607 8.844 1.00 1.33 C ATOM 2059 CD LYS B 35 16.834 19.684 9.811 1.00 1.26 C ATOM 2060 CE LYS B 35 16.072 19.668 11.143 1.00 2.86 C ATOM 2061 NZ LYS B 35 16.607 20.621 12.144 1.00 4.27 N ATOM 0 H LYS B 35 12.601 18.897 7.584 1.00 0.64 H new ATOM 0 HA LYS B 35 14.181 16.783 8.609 1.00 0.74 H new ATOM 0 HB2 LYS B 35 14.872 18.807 7.256 1.00 0.87 H new ATOM 0 HB3 LYS B 35 14.541 19.817 8.649 1.00 0.87 H new ATOM 0 HG2 LYS B 35 16.361 17.638 9.340 1.00 1.33 H new ATOM 0 HG3 LYS B 35 16.971 18.560 7.981 1.00 1.33 H new ATOM 0 HD2 LYS B 35 17.895 19.520 9.996 1.00 1.26 H new ATOM 0 HD3 LYS B 35 16.740 20.667 9.349 1.00 1.26 H new ATOM 0 HE2 LYS B 35 15.024 19.901 10.955 1.00 2.86 H new ATOM 0 HE3 LYS B 35 16.105 18.661 11.559 1.00 2.86 H new ATOM 0 HZ1 LYS B 35 15.860 20.865 12.825 1.00 4.27 H new ATOM 0 HZ2 LYS B 35 17.405 20.184 12.647 1.00 4.27 H new ATOM 0 HZ3 LYS B 35 16.932 21.484 11.663 1.00 4.27 H new ATOM 2075 N GLU B 36 12.856 18.663 10.933 1.00 0.71 N ATOM 2076 CA GLU B 36 12.621 18.784 12.372 1.00 0.80 C ATOM 2077 C GLU B 36 11.613 17.741 12.900 1.00 0.71 C ATOM 2078 O GLU B 36 11.732 17.292 14.042 1.00 0.77 O ATOM 2079 CB GLU B 36 12.149 20.223 12.640 1.00 0.97 C ATOM 2080 CG GLU B 36 12.220 20.613 14.121 1.00 1.27 C ATOM 2081 CD GLU B 36 13.637 20.798 14.678 1.00 2.16 C ATOM 2082 OE1 GLU B 36 14.637 20.533 13.970 1.00 3.25 O ATOM 2083 OE2 GLU B 36 13.711 21.175 15.865 1.00 2.60 O ATOM 0 H GLU B 36 12.304 19.318 10.379 1.00 0.71 H new ATOM 0 HA GLU B 36 13.545 18.579 12.912 1.00 0.80 H new ATOM 0 HB2 GLU B 36 12.760 20.914 12.059 1.00 0.97 H new ATOM 0 HB3 GLU B 36 11.123 20.334 12.290 1.00 0.97 H new ATOM 0 HG2 GLU B 36 11.666 21.541 14.263 1.00 1.27 H new ATOM 0 HG3 GLU B 36 11.713 19.847 14.707 1.00 1.27 H new ATOM 2090 N LEU B 37 10.655 17.350 12.055 1.00 0.72 N ATOM 2091 CA LEU B 37 9.619 16.342 12.270 1.00 0.70 C ATOM 2092 C LEU B 37 10.231 14.970 12.589 1.00 0.66 C ATOM 2093 O LEU B 37 9.946 14.418 13.650 1.00 0.68 O ATOM 2094 CB LEU B 37 8.745 16.340 10.989 1.00 0.74 C ATOM 2095 CG LEU B 37 7.676 15.243 10.867 1.00 0.70 C ATOM 2096 CD1 LEU B 37 6.460 15.528 11.736 1.00 1.09 C ATOM 2097 CD2 LEU B 37 7.206 15.103 9.410 1.00 1.21 C ATOM 0 H LEU B 37 10.580 17.766 11.127 1.00 0.72 H new ATOM 0 HA LEU B 37 9.002 16.574 13.138 1.00 0.70 H new ATOM 0 HB2 LEU B 37 8.246 17.307 10.920 1.00 0.74 H new ATOM 0 HB3 LEU B 37 9.409 16.261 10.128 1.00 0.74 H new ATOM 0 HG LEU B 37 8.143 14.318 11.206 1.00 0.70 H new ATOM 0 HD11 LEU B 37 5.732 14.726 11.617 1.00 1.09 H new ATOM 0 HD12 LEU B 37 6.765 15.589 12.781 1.00 1.09 H new ATOM 0 HD13 LEU B 37 6.011 16.474 11.434 1.00 1.09 H new ATOM 0 HD21 LEU B 37 6.449 14.321 9.345 1.00 1.21 H new ATOM 0 HD22 LEU B 37 6.781 16.048 9.072 1.00 1.21 H new ATOM 0 HD23 LEU B 37 8.054 14.840 8.778 1.00 1.21 H new ATOM 2109 N ILE B 38 11.069 14.421 11.706 1.00 0.64 N ATOM 2110 CA ILE B 38 11.445 12.988 11.731 1.00 0.72 C ATOM 2111 C ILE B 38 12.294 12.601 12.964 1.00 0.94 C ATOM 2112 O ILE B 38 12.040 11.582 13.601 1.00 1.18 O ATOM 2113 CB ILE B 38 12.084 12.628 10.365 1.00 0.83 C ATOM 2114 CG1 ILE B 38 10.998 12.759 9.265 1.00 1.14 C ATOM 2115 CG2 ILE B 38 12.710 11.219 10.370 1.00 1.35 C ATOM 2116 CD1 ILE B 38 11.486 12.534 7.833 1.00 1.47 C ATOM 0 H ILE B 38 11.510 14.948 10.952 1.00 0.64 H new ATOM 0 HA ILE B 38 10.552 12.376 11.858 1.00 0.72 H new ATOM 0 HB ILE B 38 12.902 13.320 10.162 1.00 0.83 H new ATOM 0 HG12 ILE B 38 10.202 12.045 9.476 1.00 1.14 H new ATOM 0 HG13 ILE B 38 10.558 13.754 9.329 1.00 1.14 H new ATOM 0 HG21 ILE B 38 13.145 11.011 9.393 1.00 1.35 H new ATOM 0 HG22 ILE B 38 13.488 11.169 11.132 1.00 1.35 H new ATOM 0 HG23 ILE B 38 11.940 10.479 10.589 1.00 1.35 H new ATOM 0 HD11 ILE B 38 10.651 12.648 7.142 1.00 1.47 H new ATOM 0 HD12 ILE B 38 12.258 13.265 7.593 1.00 1.47 H new ATOM 0 HD13 ILE B 38 11.897 11.529 7.742 1.00 1.47 H new ATOM 2128 N LYS B 39 13.227 13.460 13.394 1.00 1.13 N ATOM 2129 CA LYS B 39 13.992 13.324 14.648 1.00 1.32 C ATOM 2130 C LYS B 39 13.133 13.410 15.935 1.00 1.45 C ATOM 2131 O LYS B 39 13.666 13.327 17.043 1.00 1.53 O ATOM 2132 CB LYS B 39 15.104 14.403 14.628 1.00 1.32 C ATOM 2133 CG LYS B 39 16.459 13.911 14.081 1.00 1.45 C ATOM 2134 CD LYS B 39 17.238 13.084 15.120 1.00 1.69 C ATOM 2135 CE LYS B 39 18.664 12.804 14.626 1.00 2.41 C ATOM 2136 NZ LYS B 39 19.527 12.230 15.687 1.00 2.96 N ATOM 0 H LYS B 39 13.481 14.295 12.866 1.00 1.13 H new ATOM 0 HA LYS B 39 14.415 12.320 14.687 1.00 1.32 H new ATOM 0 HB2 LYS B 39 14.766 15.245 14.023 1.00 1.32 H new ATOM 0 HB3 LYS B 39 15.249 14.777 15.642 1.00 1.32 H new ATOM 0 HG2 LYS B 39 16.292 13.307 13.189 1.00 1.45 H new ATOM 0 HG3 LYS B 39 17.059 14.768 13.777 1.00 1.45 H new ATOM 0 HD2 LYS B 39 17.274 13.621 16.068 1.00 1.69 H new ATOM 0 HD3 LYS B 39 16.720 12.143 15.307 1.00 1.69 H new ATOM 0 HE2 LYS B 39 18.625 12.116 13.782 1.00 2.41 H new ATOM 0 HE3 LYS B 39 19.108 13.730 14.262 1.00 2.41 H new ATOM 0 HZ1 LYS B 39 20.428 11.918 15.271 1.00 2.96 H new ATOM 0 HZ2 LYS B 39 19.713 12.952 16.412 1.00 2.96 H new ATOM 0 HZ3 LYS B 39 19.047 11.417 16.123 1.00 2.96 H new ATOM 2150 N LYS B 40 11.824 13.661 15.812 1.00 1.50 N ATOM 2151 CA LYS B 40 10.874 13.884 16.916 1.00 1.47 C ATOM 2152 C LYS B 40 9.655 12.948 16.857 1.00 1.30 C ATOM 2153 O LYS B 40 9.189 12.488 17.900 1.00 1.49 O ATOM 2154 CB LYS B 40 10.440 15.344 16.893 1.00 1.50 C ATOM 2155 CG LYS B 40 11.666 16.232 17.131 1.00 2.17 C ATOM 2156 CD LYS B 40 11.190 17.663 17.233 1.00 1.43 C ATOM 2157 CE LYS B 40 12.425 18.568 17.286 1.00 2.07 C ATOM 2158 NZ LYS B 40 12.098 19.982 17.573 1.00 2.05 N ATOM 0 H LYS B 40 11.374 13.717 14.898 1.00 1.50 H new ATOM 0 HA LYS B 40 11.379 13.652 17.854 1.00 1.47 H new ATOM 0 HB2 LYS B 40 9.981 15.585 15.934 1.00 1.50 H new ATOM 0 HB3 LYS B 40 9.689 15.526 17.661 1.00 1.50 H new ATOM 0 HG2 LYS B 40 12.181 15.935 18.045 1.00 2.17 H new ATOM 0 HG3 LYS B 40 12.379 16.124 16.314 1.00 2.17 H new ATOM 0 HD2 LYS B 40 10.566 17.919 16.377 1.00 1.43 H new ATOM 0 HD3 LYS B 40 10.579 17.799 18.125 1.00 1.43 H new ATOM 0 HE2 LYS B 40 13.107 18.197 18.051 1.00 2.07 H new ATOM 0 HE3 LYS B 40 12.952 18.509 16.334 1.00 2.07 H new ATOM 0 HZ1 LYS B 40 12.422 20.580 16.786 1.00 2.05 H new ATOM 0 HZ2 LYS B 40 11.069 20.085 17.685 1.00 2.05 H new ATOM 0 HZ3 LYS B 40 12.573 20.277 18.450 1.00 2.05 H new ATOM 2172 N GLU B 41 9.190 12.632 15.649 1.00 1.16 N ATOM 2173 CA GLU B 41 8.368 11.445 15.348 1.00 1.38 C ATOM 2174 C GLU B 41 9.058 10.146 15.772 1.00 1.19 C ATOM 2175 O GLU B 41 8.401 9.229 16.265 1.00 1.36 O ATOM 2176 CB GLU B 41 8.166 11.288 13.841 1.00 1.94 C ATOM 2177 CG GLU B 41 7.249 12.310 13.184 1.00 1.98 C ATOM 2178 CD GLU B 41 7.175 12.034 11.682 1.00 3.77 C ATOM 2179 OE1 GLU B 41 8.242 11.795 11.075 1.00 4.97 O ATOM 2180 OE2 GLU B 41 6.055 12.102 11.138 1.00 4.49 O ATOM 0 H GLU B 41 9.376 13.205 14.826 1.00 1.16 H new ATOM 0 HA GLU B 41 7.433 11.601 15.887 1.00 1.38 H new ATOM 0 HB2 GLU B 41 9.141 11.338 13.356 1.00 1.94 H new ATOM 0 HB3 GLU B 41 7.765 10.293 13.649 1.00 1.94 H new ATOM 0 HG2 GLU B 41 6.253 12.257 13.624 1.00 1.98 H new ATOM 0 HG3 GLU B 41 7.623 13.318 13.362 1.00 1.98 H new ATOM 2187 N LEU B 42 10.376 10.064 15.549 1.00 1.09 N ATOM 2188 CA LEU B 42 11.219 8.958 15.972 1.00 1.13 C ATOM 2189 C LEU B 42 12.349 9.521 16.837 1.00 1.08 C ATOM 2190 O LEU B 42 13.296 10.132 16.343 1.00 1.33 O ATOM 2191 CB LEU B 42 11.706 8.189 14.723 1.00 1.41 C ATOM 2192 CG LEU B 42 11.534 6.667 14.872 1.00 1.63 C ATOM 2193 CD1 LEU B 42 11.961 5.969 13.572 1.00 1.99 C ATOM 2194 CD2 LEU B 42 12.280 6.041 16.065 1.00 2.62 C ATOM 0 H LEU B 42 10.892 10.791 15.054 1.00 1.09 H new ATOM 0 HA LEU B 42 10.677 8.236 16.583 1.00 1.13 H new ATOM 0 HB2 LEU B 42 11.152 8.531 13.849 1.00 1.41 H new ATOM 0 HB3 LEU B 42 12.757 8.418 14.544 1.00 1.41 H new ATOM 0 HG LEU B 42 10.475 6.512 15.076 1.00 1.63 H new ATOM 0 HD11 LEU B 42 11.838 4.891 13.680 1.00 1.99 H new ATOM 0 HD12 LEU B 42 11.342 6.324 12.748 1.00 1.99 H new ATOM 0 HD13 LEU B 42 13.007 6.196 13.364 1.00 1.99 H new ATOM 0 HD21 LEU B 42 12.097 4.967 16.085 1.00 2.62 H new ATOM 0 HD22 LEU B 42 13.349 6.225 15.963 1.00 2.62 H new ATOM 0 HD23 LEU B 42 11.922 6.487 16.993 1.00 2.62 H new ATOM 2206 N CYS B 43 12.239 9.342 18.154 1.00 1.51 N ATOM 2207 CA CYS B 43 13.122 9.967 19.146 1.00 2.00 C ATOM 2208 C CYS B 43 14.500 9.292 19.285 1.00 2.47 C ATOM 2209 O CYS B 43 14.909 8.938 20.392 1.00 3.74 O ATOM 2210 CB CYS B 43 12.354 10.078 20.475 1.00 2.56 C ATOM 2211 SG CYS B 43 12.034 8.422 21.150 1.00 3.62 S ATOM 0 H CYS B 43 11.522 8.749 18.571 1.00 1.51 H new ATOM 0 HA CYS B 43 13.382 10.966 18.795 1.00 2.00 H new ATOM 0 HB2 CYS B 43 12.931 10.665 21.189 1.00 2.56 H new ATOM 0 HB3 CYS B 43 11.412 10.603 20.317 1.00 2.56 H new ATOM 0 HG CYS B 43 13.138 7.736 21.160 1.00 3.62 H new ATOM 2217 N LEU B 44 15.218 9.110 18.172 1.00 2.11 N ATOM 2218 CA LEU B 44 16.621 8.696 18.172 1.00 2.73 C ATOM 2219 C LEU B 44 17.562 9.910 18.202 1.00 3.27 C ATOM 2220 O LEU B 44 17.802 10.583 17.195 1.00 4.03 O ATOM 2221 CB LEU B 44 16.935 7.713 17.021 1.00 2.88 C ATOM 2222 CG LEU B 44 16.682 8.195 15.576 1.00 2.96 C ATOM 2223 CD1 LEU B 44 17.829 7.817 14.636 1.00 3.92 C ATOM 2224 CD2 LEU B 44 15.346 7.727 15.011 1.00 3.53 C ATOM 0 H LEU B 44 14.835 9.248 17.237 1.00 2.11 H new ATOM 0 HA LEU B 44 16.803 8.141 19.092 1.00 2.73 H new ATOM 0 HB2 LEU B 44 17.984 7.428 17.100 1.00 2.88 H new ATOM 0 HB3 LEU B 44 16.346 6.810 17.181 1.00 2.88 H new ATOM 0 HG LEU B 44 16.636 9.282 15.638 1.00 2.96 H new ATOM 0 HD11 LEU B 44 17.609 8.176 13.631 1.00 3.92 H new ATOM 0 HD12 LEU B 44 18.754 8.273 14.989 1.00 3.92 H new ATOM 0 HD13 LEU B 44 17.942 6.733 14.618 1.00 3.92 H new ATOM 0 HD21 LEU B 44 15.231 8.100 13.993 1.00 3.53 H new ATOM 0 HD22 LEU B 44 15.316 6.637 15.004 1.00 3.53 H new ATOM 0 HD23 LEU B 44 14.535 8.109 15.631 1.00 3.53 H new ATOM 2236 N GLY B 45 18.165 10.171 19.360 1.00 3.41 N ATOM 2237 CA GLY B 45 19.229 11.168 19.513 1.00 3.88 C ATOM 2238 C GLY B 45 20.572 10.719 18.924 1.00 3.14 C ATOM 2239 O GLY B 45 21.497 11.522 18.897 1.00 3.80 O ATOM 0 H GLY B 45 17.928 9.693 20.229 1.00 3.41 H new ATOM 0 HA2 GLY B 45 18.920 12.095 19.030 1.00 3.88 H new ATOM 0 HA3 GLY B 45 19.361 11.389 20.572 1.00 3.88 H new ATOM 2242 N GLU B 46 20.672 9.469 18.458 1.00 2.37 N ATOM 2243 CA GLU B 46 21.927 8.705 18.436 1.00 2.45 C ATOM 2244 C GLU B 46 21.936 7.494 17.474 1.00 2.35 C ATOM 2245 O GLU B 46 22.913 7.263 16.767 1.00 3.41 O ATOM 2246 CB GLU B 46 22.249 8.281 19.888 1.00 3.01 C ATOM 2247 CG GLU B 46 21.298 7.261 20.543 1.00 3.21 C ATOM 2248 CD GLU B 46 19.820 7.666 20.522 1.00 3.51 C ATOM 2249 OE1 GLU B 46 19.146 7.343 19.513 1.00 3.88 O ATOM 2250 OE2 GLU B 46 19.367 8.409 21.415 1.00 4.32 O ATOM 0 H GLU B 46 19.877 8.953 18.082 1.00 2.37 H new ATOM 0 HA GLU B 46 22.703 9.356 18.034 1.00 2.45 H new ATOM 0 HB2 GLU B 46 23.256 7.865 19.905 1.00 3.01 H new ATOM 0 HB3 GLU B 46 22.264 9.177 20.508 1.00 3.01 H new ATOM 0 HG2 GLU B 46 21.407 6.303 20.034 1.00 3.21 H new ATOM 0 HG3 GLU B 46 21.605 7.109 21.578 1.00 3.21 H new ATOM 2257 N MET B 47 20.850 6.711 17.430 1.00 1.83 N ATOM 2258 CA MET B 47 20.790 5.345 16.893 1.00 2.07 C ATOM 2259 C MET B 47 21.254 5.213 15.436 1.00 1.78 C ATOM 2260 O MET B 47 22.057 4.339 15.112 1.00 2.11 O ATOM 2261 CB MET B 47 19.343 4.878 17.085 1.00 2.81 C ATOM 2262 CG MET B 47 19.068 3.430 16.676 1.00 3.26 C ATOM 2263 SD MET B 47 17.301 3.062 16.502 1.00 3.50 S ATOM 2264 CE MET B 47 16.855 4.286 15.238 1.00 2.80 C ATOM 0 H MET B 47 19.947 7.027 17.784 1.00 1.83 H new ATOM 0 HA MET B 47 21.496 4.712 17.431 1.00 2.07 H new ATOM 0 HB2 MET B 47 19.075 5.000 18.134 1.00 2.81 H new ATOM 0 HB3 MET B 47 18.687 5.532 16.510 1.00 2.81 H new ATOM 0 HG2 MET B 47 19.570 3.224 15.731 1.00 3.26 H new ATOM 0 HG3 MET B 47 19.501 2.761 17.419 1.00 3.26 H new ATOM 0 HE1 MET B 47 15.964 3.952 14.706 1.00 2.80 H new ATOM 0 HE2 MET B 47 16.654 5.245 15.715 1.00 2.80 H new ATOM 0 HE3 MET B 47 17.679 4.397 14.533 1.00 2.80 H new ATOM 2274 N LYS B 48 20.724 6.036 14.526 1.00 1.84 N ATOM 2275 CA LYS B 48 21.119 6.112 13.126 1.00 2.01 C ATOM 2276 C LYS B 48 21.243 7.571 12.686 1.00 2.43 C ATOM 2277 O LYS B 48 20.304 8.348 12.826 1.00 3.10 O ATOM 2278 CB LYS B 48 20.048 5.436 12.267 1.00 2.26 C ATOM 2279 CG LYS B 48 19.891 3.939 12.519 1.00 2.50 C ATOM 2280 CD LYS B 48 21.043 3.002 12.124 1.00 2.74 C ATOM 2281 CE LYS B 48 21.217 2.880 10.597 1.00 3.98 C ATOM 2282 NZ LYS B 48 21.552 1.497 10.155 1.00 5.06 N ATOM 0 H LYS B 48 19.978 6.692 14.759 1.00 1.84 H new ATOM 0 HA LYS B 48 22.081 5.614 13.005 1.00 2.01 H new ATOM 0 HB2 LYS B 48 19.091 5.925 12.449 1.00 2.26 H new ATOM 0 HB3 LYS B 48 20.291 5.592 11.216 1.00 2.26 H new ATOM 0 HG2 LYS B 48 19.702 3.801 13.584 1.00 2.50 H new ATOM 0 HG3 LYS B 48 18.998 3.606 11.991 1.00 2.50 H new ATOM 0 HD2 LYS B 48 21.971 3.369 12.563 1.00 2.74 H new ATOM 0 HD3 LYS B 48 20.861 2.013 12.545 1.00 2.74 H new ATOM 0 HE2 LYS B 48 20.298 3.199 10.106 1.00 3.98 H new ATOM 0 HE3 LYS B 48 22.005 3.560 10.272 1.00 3.98 H new ATOM 0 HZ1 LYS B 48 21.104 1.308 9.236 1.00 5.06 H new ATOM 0 HZ2 LYS B 48 22.584 1.402 10.063 1.00 5.06 H new ATOM 0 HZ3 LYS B 48 21.203 0.814 10.857 1.00 5.06 H new ATOM 2296 N GLU B 49 22.366 7.879 12.052 1.00 2.49 N ATOM 2297 CA GLU B 49 22.680 9.216 11.528 1.00 3.00 C ATOM 2298 C GLU B 49 23.416 9.125 10.189 1.00 2.45 C ATOM 2299 O GLU B 49 22.921 9.640 9.192 1.00 3.33 O ATOM 2300 CB GLU B 49 23.441 10.082 12.548 1.00 3.97 C ATOM 2301 CG GLU B 49 22.581 10.367 13.787 1.00 4.97 C ATOM 2302 CD GLU B 49 22.914 11.700 14.439 1.00 6.11 C ATOM 2303 OE1 GLU B 49 24.081 11.881 14.828 1.00 6.21 O ATOM 2304 OE2 GLU B 49 21.961 12.504 14.556 1.00 7.40 O ATOM 0 H GLU B 49 23.105 7.197 11.880 1.00 2.49 H new ATOM 0 HA GLU B 49 21.732 9.722 11.348 1.00 3.00 H new ATOM 0 HB2 GLU B 49 24.358 9.574 12.848 1.00 3.97 H new ATOM 0 HB3 GLU B 49 23.735 11.023 12.082 1.00 3.97 H new ATOM 0 HG2 GLU B 49 21.529 10.359 13.503 1.00 4.97 H new ATOM 0 HG3 GLU B 49 22.721 9.567 14.514 1.00 4.97 H new ATOM 2311 N SER B 50 24.533 8.399 10.124 1.00 1.94 N ATOM 2312 CA SER B 50 25.440 8.264 8.968 1.00 1.90 C ATOM 2313 C SER B 50 24.845 7.541 7.728 1.00 1.98 C ATOM 2314 O SER B 50 25.378 6.538 7.266 1.00 3.37 O ATOM 2315 CB SER B 50 26.734 7.568 9.445 1.00 2.27 C ATOM 2316 OG SER B 50 27.120 8.002 10.744 1.00 2.94 O ATOM 0 H SER B 50 24.854 7.853 10.923 1.00 1.94 H new ATOM 0 HA SER B 50 25.636 9.274 8.608 1.00 1.90 H new ATOM 0 HB2 SER B 50 26.584 6.488 9.452 1.00 2.27 H new ATOM 0 HB3 SER B 50 27.539 7.774 8.739 1.00 2.27 H new ATOM 0 HG SER B 50 27.941 7.539 11.013 1.00 2.94 H new ATOM 2322 N SER B 51 23.727 8.045 7.205 1.00 1.73 N ATOM 2323 CA SER B 51 22.895 7.607 6.058 1.00 1.81 C ATOM 2324 C SER B 51 21.600 8.434 5.956 1.00 1.67 C ATOM 2325 O SER B 51 21.075 8.598 4.862 1.00 1.95 O ATOM 2326 CB SER B 51 22.471 6.131 6.162 1.00 2.27 C ATOM 2327 OG SER B 51 23.545 5.224 6.011 1.00 2.31 O ATOM 0 H SER B 51 23.321 8.882 7.624 1.00 1.73 H new ATOM 0 HA SER B 51 23.525 7.750 5.180 1.00 1.81 H new ATOM 0 HB2 SER B 51 21.998 5.964 7.130 1.00 2.27 H new ATOM 0 HB3 SER B 51 21.720 5.922 5.400 1.00 2.27 H new ATOM 0 HG SER B 51 24.392 5.692 6.163 1.00 2.31 H new ATOM 2333 N ILE B 52 21.083 8.977 7.065 1.00 1.56 N ATOM 2334 CA ILE B 52 20.043 10.023 7.045 1.00 1.56 C ATOM 2335 C ILE B 52 20.649 11.418 6.874 1.00 1.28 C ATOM 2336 O ILE B 52 20.040 12.244 6.205 1.00 1.49 O ATOM 2337 CB ILE B 52 19.091 9.913 8.267 1.00 1.94 C ATOM 2338 CG1 ILE B 52 18.173 11.153 8.400 1.00 3.63 C ATOM 2339 CG2 ILE B 52 19.805 9.658 9.600 1.00 2.55 C ATOM 2340 CD1 ILE B 52 17.082 11.084 9.479 1.00 3.77 C ATOM 0 H ILE B 52 21.372 8.706 8.005 1.00 1.56 H new ATOM 0 HA ILE B 52 19.420 9.855 6.166 1.00 1.56 H new ATOM 0 HB ILE B 52 18.484 9.032 8.057 1.00 1.94 H new ATOM 0 HG12 ILE B 52 18.800 12.021 8.603 1.00 3.63 H new ATOM 0 HG13 ILE B 52 17.691 11.326 7.438 1.00 3.63 H new ATOM 0 HG21 ILE B 52 19.068 9.595 10.401 1.00 2.55 H new ATOM 0 HG22 ILE B 52 20.360 8.722 9.542 1.00 2.55 H new ATOM 0 HG23 ILE B 52 20.495 10.476 9.806 1.00 2.55 H new ATOM 0 HD11 ILE B 52 16.506 12.010 9.474 1.00 3.77 H new ATOM 0 HD12 ILE B 52 16.419 10.243 9.273 1.00 3.77 H new ATOM 0 HD13 ILE B 52 17.545 10.950 10.457 1.00 3.77 H new ATOM 2352 N ASP B 53 21.836 11.673 7.428 1.00 1.08 N ATOM 2353 CA ASP B 53 22.541 12.960 7.350 1.00 1.06 C ATOM 2354 C ASP B 53 22.678 13.502 5.909 1.00 1.00 C ATOM 2355 O ASP B 53 22.481 14.695 5.666 1.00 1.07 O ATOM 2356 CB ASP B 53 23.910 12.780 8.027 1.00 1.48 C ATOM 2357 CG ASP B 53 24.754 14.047 7.947 1.00 2.29 C ATOM 2358 OD1 ASP B 53 24.266 15.117 8.371 1.00 2.50 O ATOM 2359 OD2 ASP B 53 25.842 14.004 7.326 1.00 3.66 O ATOM 0 H ASP B 53 22.351 10.971 7.960 1.00 1.08 H new ATOM 0 HA ASP B 53 21.952 13.717 7.868 1.00 1.06 H new ATOM 0 HB2 ASP B 53 23.765 12.506 9.072 1.00 1.48 H new ATOM 0 HB3 ASP B 53 24.444 11.957 7.552 1.00 1.48 H new ATOM 2364 N ASP B 54 22.969 12.635 4.932 1.00 1.01 N ATOM 2365 CA ASP B 54 22.980 12.999 3.508 1.00 1.06 C ATOM 2366 C ASP B 54 21.593 13.444 3.012 1.00 0.96 C ATOM 2367 O ASP B 54 21.425 14.531 2.452 1.00 0.99 O ATOM 2368 CB ASP B 54 23.470 11.802 2.683 1.00 1.28 C ATOM 2369 CG ASP B 54 23.640 12.228 1.220 1.00 1.55 C ATOM 2370 OD1 ASP B 54 24.611 12.973 0.958 1.00 2.11 O ATOM 2371 OD2 ASP B 54 22.763 11.865 0.407 1.00 2.57 O ATOM 0 H ASP B 54 23.204 11.658 5.106 1.00 1.01 H new ATOM 0 HA ASP B 54 23.655 13.845 3.383 1.00 1.06 H new ATOM 0 HB2 ASP B 54 24.417 11.436 3.079 1.00 1.28 H new ATOM 0 HB3 ASP B 54 22.757 10.981 2.754 1.00 1.28 H new ATOM 2376 N LEU B 55 20.571 12.632 3.298 1.00 0.94 N ATOM 2377 CA LEU B 55 19.183 12.868 2.905 1.00 0.98 C ATOM 2378 C LEU B 55 18.651 14.178 3.507 1.00 0.99 C ATOM 2379 O LEU B 55 17.942 14.920 2.829 1.00 1.01 O ATOM 2380 CB LEU B 55 18.322 11.656 3.321 1.00 1.00 C ATOM 2381 CG LEU B 55 18.823 10.279 2.843 1.00 1.02 C ATOM 2382 CD1 LEU B 55 17.950 9.177 3.455 1.00 1.00 C ATOM 2383 CD2 LEU B 55 18.829 10.173 1.312 1.00 1.11 C ATOM 0 H LEU B 55 20.693 11.767 3.825 1.00 0.94 H new ATOM 0 HA LEU B 55 19.130 12.978 1.822 1.00 0.98 H new ATOM 0 HB2 LEU B 55 18.254 11.639 4.409 1.00 1.00 H new ATOM 0 HB3 LEU B 55 17.311 11.805 2.941 1.00 1.00 H new ATOM 0 HG LEU B 55 19.853 10.157 3.177 1.00 1.02 H new ATOM 0 HD11 LEU B 55 18.304 8.203 3.117 1.00 1.00 H new ATOM 0 HD12 LEU B 55 18.009 9.228 4.542 1.00 1.00 H new ATOM 0 HD13 LEU B 55 16.915 9.316 3.141 1.00 1.00 H new ATOM 0 HD21 LEU B 55 19.189 9.187 1.017 1.00 1.11 H new ATOM 0 HD22 LEU B 55 17.817 10.318 0.933 1.00 1.11 H new ATOM 0 HD23 LEU B 55 19.485 10.938 0.897 1.00 1.11 H new ATOM 2395 N MET B 56 19.036 14.506 4.746 1.00 1.04 N ATOM 2396 CA MET B 56 18.719 15.788 5.397 1.00 1.13 C ATOM 2397 C MET B 56 19.398 16.978 4.702 1.00 1.21 C ATOM 2398 O MET B 56 18.783 18.036 4.575 1.00 1.33 O ATOM 2399 CB MET B 56 19.098 15.769 6.886 1.00 1.22 C ATOM 2400 CG MET B 56 18.531 14.574 7.655 1.00 1.23 C ATOM 2401 SD MET B 56 17.715 14.962 9.218 1.00 1.57 S ATOM 2402 CE MET B 56 16.005 14.830 8.654 1.00 1.94 C ATOM 0 H MET B 56 19.585 13.880 5.336 1.00 1.04 H new ATOM 0 HA MET B 56 17.640 15.917 5.308 1.00 1.13 H new ATOM 0 HB2 MET B 56 20.184 15.763 6.974 1.00 1.22 H new ATOM 0 HB3 MET B 56 18.745 16.689 7.352 1.00 1.22 H new ATOM 0 HG2 MET B 56 17.818 14.058 7.013 1.00 1.23 H new ATOM 0 HG3 MET B 56 19.344 13.876 7.855 1.00 1.23 H new ATOM 0 HE1 MET B 56 15.331 15.072 9.476 1.00 1.94 H new ATOM 0 HE2 MET B 56 15.838 15.525 7.831 1.00 1.94 H new ATOM 0 HE3 MET B 56 15.812 13.813 8.314 1.00 1.94 H new ATOM 2412 N LYS B 57 20.617 16.815 4.181 1.00 1.20 N ATOM 2413 CA LYS B 57 21.250 17.837 3.329 1.00 1.32 C ATOM 2414 C LYS B 57 20.501 17.988 1.997 1.00 1.29 C ATOM 2415 O LYS B 57 20.358 19.096 1.494 1.00 1.41 O ATOM 2416 CB LYS B 57 22.745 17.513 3.111 1.00 1.49 C ATOM 2417 CG LYS B 57 23.667 18.295 4.059 1.00 1.14 C ATOM 2418 CD LYS B 57 23.436 17.974 5.546 1.00 2.24 C ATOM 2419 CE LYS B 57 24.662 17.360 6.229 1.00 3.38 C ATOM 2420 NZ LYS B 57 24.969 16.014 5.698 1.00 4.79 N ATOM 0 H LYS B 57 21.190 15.985 4.332 1.00 1.20 H new ATOM 0 HA LYS B 57 21.190 18.797 3.842 1.00 1.32 H new ATOM 0 HB2 LYS B 57 22.905 16.444 3.255 1.00 1.49 H new ATOM 0 HB3 LYS B 57 23.015 17.740 2.080 1.00 1.49 H new ATOM 0 HG2 LYS B 57 24.704 18.077 3.806 1.00 1.14 H new ATOM 0 HG3 LYS B 57 23.518 19.363 3.899 1.00 1.14 H new ATOM 0 HD2 LYS B 57 23.157 18.889 6.069 1.00 2.24 H new ATOM 0 HD3 LYS B 57 22.595 17.286 5.636 1.00 2.24 H new ATOM 0 HE2 LYS B 57 25.523 18.013 6.085 1.00 3.38 H new ATOM 0 HE3 LYS B 57 24.486 17.296 7.303 1.00 3.38 H new ATOM 0 HZ1 LYS B 57 25.560 15.498 6.381 1.00 4.79 H new ATOM 0 HZ2 LYS B 57 24.083 15.492 5.543 1.00 4.79 H new ATOM 0 HZ3 LYS B 57 25.480 16.105 4.797 1.00 4.79 H new ATOM 2434 N SER B 58 19.960 16.897 1.459 1.00 1.21 N ATOM 2435 CA SER B 58 19.077 16.910 0.279 1.00 1.23 C ATOM 2436 C SER B 58 17.755 17.664 0.524 1.00 1.17 C ATOM 2437 O SER B 58 17.270 18.373 -0.366 1.00 1.29 O ATOM 2438 CB SER B 58 18.834 15.472 -0.214 1.00 1.23 C ATOM 2439 OG SER B 58 18.343 15.470 -1.538 1.00 2.36 O ATOM 0 H SER B 58 20.121 15.961 1.831 1.00 1.21 H new ATOM 0 HA SER B 58 19.588 17.467 -0.506 1.00 1.23 H new ATOM 0 HB2 SER B 58 19.763 14.905 -0.166 1.00 1.23 H new ATOM 0 HB3 SER B 58 18.122 14.973 0.443 1.00 1.23 H new ATOM 0 HG SER B 58 18.197 14.546 -1.831 1.00 2.36 H new ATOM 2445 N LEU B 59 17.210 17.615 1.751 1.00 1.09 N ATOM 2446 CA LEU B 59 16.033 18.406 2.126 1.00 1.17 C ATOM 2447 C LEU B 59 16.381 19.889 2.121 1.00 1.36 C ATOM 2448 O LEU B 59 15.708 20.700 1.476 1.00 1.65 O ATOM 2449 CB LEU B 59 15.529 18.001 3.528 1.00 1.08 C ATOM 2450 CG LEU B 59 15.012 16.561 3.672 1.00 0.99 C ATOM 2451 CD1 LEU B 59 14.561 16.352 5.122 1.00 1.10 C ATOM 2452 CD2 LEU B 59 13.896 16.242 2.667 1.00 1.08 C ATOM 0 H LEU B 59 17.572 17.030 2.504 1.00 1.09 H new ATOM 0 HA LEU B 59 15.244 18.213 1.399 1.00 1.17 H new ATOM 0 HB2 LEU B 59 16.342 18.146 4.240 1.00 1.08 H new ATOM 0 HB3 LEU B 59 14.729 18.683 3.815 1.00 1.08 H new ATOM 0 HG LEU B 59 15.817 15.864 3.440 1.00 0.99 H new ATOM 0 HD11 LEU B 59 14.190 15.334 5.245 1.00 1.10 H new ATOM 0 HD12 LEU B 59 15.405 16.514 5.792 1.00 1.10 H new ATOM 0 HD13 LEU B 59 13.767 17.059 5.361 1.00 1.10 H new ATOM 0 HD21 LEU B 59 13.563 15.214 2.807 1.00 1.08 H new ATOM 0 HD22 LEU B 59 13.058 16.920 2.827 1.00 1.08 H new ATOM 0 HD23 LEU B 59 14.274 16.366 1.652 1.00 1.08 H new ATOM 2464 N ASP B 60 17.445 20.240 2.836 1.00 1.32 N ATOM 2465 CA ASP B 60 17.793 21.633 3.075 1.00 1.57 C ATOM 2466 C ASP B 60 18.386 22.341 1.843 1.00 1.62 C ATOM 2467 O ASP B 60 18.504 23.563 1.828 1.00 1.92 O ATOM 2468 CB ASP B 60 18.635 21.751 4.347 1.00 1.72 C ATOM 2469 CG ASP B 60 18.238 23.034 5.091 1.00 2.47 C ATOM 2470 OD1 ASP B 60 17.078 23.075 5.562 1.00 3.30 O ATOM 2471 OD2 ASP B 60 18.997 24.021 5.145 1.00 3.21 O ATOM 0 H ASP B 60 18.085 19.571 3.263 1.00 1.32 H new ATOM 0 HA ASP B 60 16.872 22.189 3.251 1.00 1.57 H new ATOM 0 HB2 ASP B 60 18.477 20.881 4.985 1.00 1.72 H new ATOM 0 HB3 ASP B 60 19.695 21.774 4.096 1.00 1.72 H new ATOM 2476 N LYS B 61 18.679 21.608 0.762 1.00 1.50 N ATOM 2477 CA LYS B 61 19.132 22.146 -0.515 1.00 1.61 C ATOM 2478 C LYS B 61 18.061 22.926 -1.304 1.00 1.86 C ATOM 2479 O LYS B 61 18.403 23.783 -2.118 1.00 2.18 O ATOM 2480 CB LYS B 61 19.643 20.952 -1.297 1.00 1.41 C ATOM 2481 CG LYS B 61 20.597 21.410 -2.398 1.00 2.20 C ATOM 2482 CD LYS B 61 20.203 20.723 -3.691 1.00 3.52 C ATOM 2483 CE LYS B 61 18.915 21.282 -4.314 1.00 5.28 C ATOM 2484 NZ LYS B 61 19.003 22.725 -4.654 1.00 6.55 N ATOM 0 H LYS B 61 18.603 20.591 0.758 1.00 1.50 H new ATOM 0 HA LYS B 61 19.903 22.897 -0.340 1.00 1.61 H new ATOM 0 HB2 LYS B 61 20.155 20.261 -0.627 1.00 1.41 H new ATOM 0 HB3 LYS B 61 18.805 20.409 -1.735 1.00 1.41 H new ATOM 0 HG2 LYS B 61 20.549 22.493 -2.514 1.00 2.20 H new ATOM 0 HG3 LYS B 61 21.626 21.162 -2.135 1.00 2.20 H new ATOM 0 HD2 LYS B 61 21.017 20.822 -4.409 1.00 3.52 H new ATOM 0 HD3 LYS B 61 20.073 19.657 -3.502 1.00 3.52 H new ATOM 0 HE2 LYS B 61 18.682 20.717 -5.217 1.00 5.28 H new ATOM 0 HE3 LYS B 61 18.088 21.129 -3.620 1.00 5.28 H new ATOM 0 HZ1 LYS B 61 18.082 23.055 -5.006 1.00 6.55 H new ATOM 0 HZ2 LYS B 61 19.263 23.266 -3.805 1.00 6.55 H new ATOM 0 HZ3 LYS B 61 19.725 22.865 -5.389 1.00 6.55 H new ATOM 2498 N ASN B 62 16.779 22.594 -1.131 1.00 1.92 N ATOM 2499 CA ASN B 62 15.624 23.358 -1.678 1.00 2.29 C ATOM 2500 C ASN B 62 14.647 23.856 -0.599 1.00 2.34 C ATOM 2501 O ASN B 62 14.035 24.908 -0.735 1.00 2.95 O ATOM 2502 CB ASN B 62 14.889 22.543 -2.754 1.00 2.47 C ATOM 2503 CG ASN B 62 15.211 23.103 -4.132 1.00 2.73 C ATOM 2504 OD1 ASN B 62 16.272 22.842 -4.687 1.00 2.82 O ATOM 2505 ND2 ASN B 62 14.359 23.937 -4.690 1.00 3.53 N ATOM 0 H ASN B 62 16.495 21.772 -0.598 1.00 1.92 H new ATOM 0 HA ASN B 62 16.044 24.253 -2.137 1.00 2.29 H new ATOM 0 HB2 ASN B 62 15.187 21.496 -2.698 1.00 2.47 H new ATOM 0 HB3 ASN B 62 13.814 22.578 -2.579 1.00 2.47 H new ATOM 0 HD21 ASN B 62 14.581 24.368 -5.587 1.00 3.53 H new ATOM 0 HD22 ASN B 62 13.477 24.152 -4.225 1.00 3.53 H new ATOM 2512 N SER B 63 14.640 23.194 0.553 1.00 1.94 N ATOM 2513 CA SER B 63 14.857 23.874 1.838 1.00 1.47 C ATOM 2514 C SER B 63 13.583 24.346 2.529 1.00 1.19 C ATOM 2515 O SER B 63 13.064 23.629 3.377 1.00 1.50 O ATOM 2516 CB SER B 63 15.867 25.022 1.665 1.00 2.42 C ATOM 2517 OG SER B 63 16.662 25.220 2.809 1.00 1.89 O ATOM 0 H SER B 63 14.487 22.188 0.630 1.00 1.94 H new ATOM 0 HA SER B 63 15.271 23.124 2.512 1.00 1.47 H new ATOM 0 HB2 SER B 63 16.511 24.809 0.812 1.00 2.42 H new ATOM 0 HB3 SER B 63 15.330 25.942 1.437 1.00 2.42 H new ATOM 0 HG SER B 63 17.483 24.690 2.733 1.00 1.89 H new ATOM 2523 N ASP B 64 13.070 25.523 2.182 1.00 1.02 N ATOM 2524 CA ASP B 64 11.872 26.085 2.820 1.00 1.38 C ATOM 2525 C ASP B 64 10.630 25.760 1.979 1.00 1.59 C ATOM 2526 O ASP B 64 9.494 25.992 2.377 1.00 2.51 O ATOM 2527 CB ASP B 64 12.067 27.594 3.056 1.00 1.80 C ATOM 2528 CG ASP B 64 11.280 28.127 4.266 1.00 3.23 C ATOM 2529 OD1 ASP B 64 11.024 27.325 5.200 1.00 4.01 O ATOM 2530 OD2 ASP B 64 11.021 29.348 4.288 1.00 4.25 O ATOM 0 H ASP B 64 13.468 26.116 1.454 1.00 1.02 H new ATOM 0 HA ASP B 64 11.715 25.630 3.798 1.00 1.38 H new ATOM 0 HB2 ASP B 64 13.128 27.798 3.203 1.00 1.80 H new ATOM 0 HB3 ASP B 64 11.759 28.137 2.163 1.00 1.80 H new ATOM 2535 N GLN B 65 10.872 25.155 0.820 1.00 1.07 N ATOM 2536 CA GLN B 65 9.885 24.650 -0.104 1.00 1.09 C ATOM 2537 C GLN B 65 9.108 23.449 0.414 1.00 1.02 C ATOM 2538 O GLN B 65 9.512 22.743 1.336 1.00 1.08 O ATOM 2539 CB GLN B 65 10.589 24.223 -1.383 1.00 1.14 C ATOM 2540 CG GLN B 65 10.868 25.420 -2.299 1.00 2.18 C ATOM 2541 CD GLN B 65 10.682 25.013 -3.749 1.00 3.08 C ATOM 2542 OE1 GLN B 65 11.644 24.773 -4.469 1.00 3.41 O ATOM 2543 NE2 GLN B 65 9.448 24.864 -4.187 1.00 4.10 N ATOM 0 H GLN B 65 11.824 24.999 0.489 1.00 1.07 H new ATOM 0 HA GLN B 65 9.171 25.459 -0.261 1.00 1.09 H new ATOM 0 HB2 GLN B 65 11.528 23.727 -1.135 1.00 1.14 H new ATOM 0 HB3 GLN B 65 9.974 23.495 -1.912 1.00 1.14 H new ATOM 0 HG2 GLN B 65 10.195 26.242 -2.053 1.00 2.18 H new ATOM 0 HG3 GLN B 65 11.884 25.781 -2.141 1.00 2.18 H new ATOM 0 HE21 GLN B 65 8.660 25.069 -3.572 1.00 4.10 H new ATOM 0 HE22 GLN B 65 9.281 24.544 -5.141 1.00 4.10 H new ATOM 2552 N GLU B 66 7.995 23.227 -0.272 1.00 1.03 N ATOM 2553 CA GLU B 66 6.814 22.546 0.182 1.00 0.96 C ATOM 2554 C GLU B 66 6.793 21.094 -0.301 1.00 1.26 C ATOM 2555 O GLU B 66 7.074 20.796 -1.462 1.00 1.68 O ATOM 2556 CB GLU B 66 5.535 23.292 -0.281 1.00 0.90 C ATOM 2557 CG GLU B 66 5.674 24.804 -0.574 1.00 1.33 C ATOM 2558 CD GLU B 66 6.282 25.124 -1.955 1.00 2.89 C ATOM 2559 OE1 GLU B 66 7.529 25.185 -2.084 1.00 4.52 O ATOM 2560 OE2 GLU B 66 5.506 25.312 -2.905 1.00 3.27 O ATOM 0 H GLU B 66 7.898 23.548 -1.235 1.00 1.03 H new ATOM 0 HA GLU B 66 6.833 22.539 1.272 1.00 0.96 H new ATOM 0 HB2 GLU B 66 5.166 22.804 -1.183 1.00 0.90 H new ATOM 0 HB3 GLU B 66 4.771 23.164 0.486 1.00 0.90 H new ATOM 0 HG2 GLU B 66 4.690 25.268 -0.505 1.00 1.33 H new ATOM 0 HG3 GLU B 66 6.295 25.257 0.199 1.00 1.33 H new ATOM 2567 N ILE B 67 6.448 20.185 0.605 1.00 1.13 N ATOM 2568 CA ILE B 67 6.319 18.755 0.321 1.00 1.24 C ATOM 2569 C ILE B 67 5.055 18.135 0.898 1.00 1.20 C ATOM 2570 O ILE B 67 4.518 18.571 1.920 1.00 1.16 O ATOM 2571 CB ILE B 67 7.562 17.946 0.765 1.00 1.25 C ATOM 2572 CG1 ILE B 67 8.292 18.543 1.988 1.00 1.62 C ATOM 2573 CG2 ILE B 67 8.492 17.776 -0.434 1.00 2.13 C ATOM 2574 CD1 ILE B 67 9.465 17.686 2.451 1.00 1.58 C ATOM 0 H ILE B 67 6.246 20.423 1.576 1.00 1.13 H new ATOM 0 HA ILE B 67 6.243 18.696 -0.765 1.00 1.24 H new ATOM 0 HB ILE B 67 7.221 16.969 1.108 1.00 1.25 H new ATOM 0 HG12 ILE B 67 8.653 19.541 1.739 1.00 1.62 H new ATOM 0 HG13 ILE B 67 7.584 18.656 2.809 1.00 1.62 H new ATOM 0 HG21 ILE B 67 9.372 17.207 -0.134 1.00 2.13 H new ATOM 0 HG22 ILE B 67 7.969 17.243 -1.228 1.00 2.13 H new ATOM 0 HG23 ILE B 67 8.800 18.756 -0.797 1.00 2.13 H new ATOM 0 HD11 ILE B 67 9.940 18.155 3.313 1.00 1.58 H new ATOM 0 HD12 ILE B 67 9.105 16.696 2.729 1.00 1.58 H new ATOM 0 HD13 ILE B 67 10.190 17.594 1.642 1.00 1.58 H new ATOM 2586 N ASP B 68 4.632 17.072 0.223 1.00 1.31 N ATOM 2587 CA ASP B 68 3.451 16.277 0.519 1.00 1.39 C ATOM 2588 C ASP B 68 3.787 14.999 1.308 1.00 1.28 C ATOM 2589 O ASP B 68 4.947 14.650 1.561 1.00 1.36 O ATOM 2590 CB ASP B 68 2.762 15.936 -0.821 1.00 1.61 C ATOM 2591 CG ASP B 68 3.309 14.662 -1.491 1.00 1.36 C ATOM 2592 OD1 ASP B 68 4.545 14.518 -1.630 1.00 2.07 O ATOM 2593 OD2 ASP B 68 2.482 13.761 -1.752 1.00 2.52 O ATOM 0 H ASP B 68 5.135 16.724 -0.593 1.00 1.31 H new ATOM 0 HA ASP B 68 2.782 16.854 1.158 1.00 1.39 H new ATOM 0 HB2 ASP B 68 1.692 15.815 -0.649 1.00 1.61 H new ATOM 0 HB3 ASP B 68 2.882 16.776 -1.505 1.00 1.61 H new ATOM 2598 N PHE B 69 2.733 14.236 1.611 1.00 1.26 N ATOM 2599 CA PHE B 69 2.806 12.933 2.259 1.00 1.16 C ATOM 2600 C PHE B 69 3.709 11.907 1.539 1.00 1.02 C ATOM 2601 O PHE B 69 4.190 10.972 2.178 1.00 0.94 O ATOM 2602 CB PHE B 69 1.389 12.354 2.346 1.00 1.30 C ATOM 2603 CG PHE B 69 0.388 13.096 3.209 1.00 1.51 C ATOM 2604 CD1 PHE B 69 0.259 12.749 4.567 1.00 2.43 C ATOM 2605 CD2 PHE B 69 -0.481 14.050 2.644 1.00 2.73 C ATOM 2606 CE1 PHE B 69 -0.750 13.333 5.349 1.00 3.27 C ATOM 2607 CE2 PHE B 69 -1.493 14.631 3.432 1.00 3.86 C ATOM 2608 CZ PHE B 69 -1.629 14.264 4.779 1.00 3.82 C ATOM 0 H PHE B 69 1.776 14.522 1.403 1.00 1.26 H new ATOM 0 HA PHE B 69 3.253 13.102 3.239 1.00 1.16 H new ATOM 0 HB2 PHE B 69 0.985 12.296 1.335 1.00 1.30 H new ATOM 0 HB3 PHE B 69 1.464 11.332 2.719 1.00 1.30 H new ATOM 0 HD1 PHE B 69 0.937 12.033 5.008 1.00 2.43 H new ATOM 0 HD2 PHE B 69 -0.371 14.335 1.608 1.00 2.73 H new ATOM 0 HE1 PHE B 69 -0.849 13.065 6.390 1.00 3.27 H new ATOM 0 HE2 PHE B 69 -2.164 15.359 3.000 1.00 3.86 H new ATOM 0 HZ PHE B 69 -2.414 14.700 5.379 1.00 3.82 H new ATOM 2618 N LYS B 70 3.934 11.994 0.220 1.00 1.06 N ATOM 2619 CA LYS B 70 4.677 10.985 -0.539 1.00 1.03 C ATOM 2620 C LYS B 70 6.186 11.130 -0.343 1.00 0.91 C ATOM 2621 O LYS B 70 6.812 10.149 0.066 1.00 0.87 O ATOM 2622 CB LYS B 70 4.300 11.055 -2.017 1.00 1.26 C ATOM 2623 CG LYS B 70 2.857 10.573 -2.256 1.00 2.39 C ATOM 2624 CD LYS B 70 2.389 10.806 -3.698 1.00 2.84 C ATOM 2625 CE LYS B 70 3.088 9.857 -4.685 1.00 3.28 C ATOM 2626 NZ LYS B 70 2.592 10.038 -6.074 1.00 4.45 N ATOM 0 H LYS B 70 3.603 12.772 -0.351 1.00 1.06 H new ATOM 0 HA LYS B 70 4.401 10.002 -0.158 1.00 1.03 H new ATOM 0 HB2 LYS B 70 4.406 12.080 -2.372 1.00 1.26 H new ATOM 0 HB3 LYS B 70 4.990 10.444 -2.599 1.00 1.26 H new ATOM 0 HG2 LYS B 70 2.789 9.510 -2.023 1.00 2.39 H new ATOM 0 HG3 LYS B 70 2.186 11.092 -1.572 1.00 2.39 H new ATOM 0 HD2 LYS B 70 1.310 10.662 -3.758 1.00 2.84 H new ATOM 0 HD3 LYS B 70 2.589 11.839 -3.983 1.00 2.84 H new ATOM 0 HE2 LYS B 70 4.163 10.033 -4.658 1.00 3.28 H new ATOM 0 HE3 LYS B 70 2.926 8.825 -4.373 1.00 3.28 H new ATOM 0 HZ1 LYS B 70 3.388 9.961 -6.739 1.00 4.45 H new ATOM 0 HZ2 LYS B 70 1.888 9.304 -6.290 1.00 4.45 H new ATOM 0 HZ3 LYS B 70 2.153 10.976 -6.166 1.00 4.45 H new ATOM 2640 N GLU B 71 6.734 12.330 -0.551 1.00 0.91 N ATOM 2641 CA GLU B 71 8.135 12.645 -0.227 1.00 0.86 C ATOM 2642 C GLU B 71 8.462 12.294 1.238 1.00 0.71 C ATOM 2643 O GLU B 71 9.523 11.762 1.556 1.00 0.70 O ATOM 2644 CB GLU B 71 8.403 14.134 -0.490 1.00 1.00 C ATOM 2645 CG GLU B 71 8.470 14.459 -1.995 1.00 1.10 C ATOM 2646 CD GLU B 71 9.822 15.076 -2.363 1.00 1.45 C ATOM 2647 OE1 GLU B 71 10.881 14.473 -2.077 1.00 2.11 O ATOM 2648 OE2 GLU B 71 9.850 16.246 -2.790 1.00 2.37 O ATOM 0 H GLU B 71 6.220 13.116 -0.950 1.00 0.91 H new ATOM 0 HA GLU B 71 8.780 12.042 -0.866 1.00 0.86 H new ATOM 0 HB2 GLU B 71 7.617 14.730 -0.026 1.00 1.00 H new ATOM 0 HB3 GLU B 71 9.342 14.421 -0.016 1.00 1.00 H new ATOM 0 HG2 GLU B 71 8.311 13.550 -2.575 1.00 1.10 H new ATOM 0 HG3 GLU B 71 7.668 15.149 -2.258 1.00 1.10 H new ATOM 2655 N TYR B 72 7.478 12.475 2.111 1.00 0.69 N ATOM 2656 CA TYR B 72 7.550 12.141 3.538 1.00 0.61 C ATOM 2657 C TYR B 72 7.602 10.620 3.791 1.00 0.57 C ATOM 2658 O TYR B 72 8.535 10.107 4.406 1.00 0.51 O ATOM 2659 CB TYR B 72 6.334 12.820 4.190 1.00 0.64 C ATOM 2660 CG TYR B 72 5.878 12.284 5.530 1.00 0.68 C ATOM 2661 CD1 TYR B 72 6.708 12.405 6.659 1.00 1.49 C ATOM 2662 CD2 TYR B 72 4.592 11.721 5.661 1.00 1.80 C ATOM 2663 CE1 TYR B 72 6.235 12.014 7.923 1.00 1.56 C ATOM 2664 CE2 TYR B 72 4.115 11.327 6.922 1.00 1.83 C ATOM 2665 CZ TYR B 72 4.928 11.499 8.060 1.00 0.89 C ATOM 2666 OH TYR B 72 4.436 11.182 9.285 1.00 1.04 O ATOM 0 H TYR B 72 6.577 12.871 1.842 1.00 0.69 H new ATOM 0 HA TYR B 72 8.477 12.505 3.980 1.00 0.61 H new ATOM 0 HB2 TYR B 72 6.563 13.879 4.310 1.00 0.64 H new ATOM 0 HB3 TYR B 72 5.496 12.751 3.496 1.00 0.64 H new ATOM 0 HD1 TYR B 72 7.708 12.798 6.554 1.00 1.49 H new ATOM 0 HD2 TYR B 72 3.970 11.592 4.787 1.00 1.80 H new ATOM 0 HE1 TYR B 72 6.872 12.108 8.790 1.00 1.56 H new ATOM 0 HE2 TYR B 72 3.130 10.894 7.019 1.00 1.83 H new ATOM 0 HH TYR B 72 4.794 11.804 9.952 1.00 1.04 H new ATOM 2676 N SER B 73 6.634 9.872 3.268 1.00 0.70 N ATOM 2677 CA SER B 73 6.530 8.414 3.439 1.00 0.77 C ATOM 2678 C SER B 73 7.672 7.626 2.769 1.00 0.77 C ATOM 2679 O SER B 73 8.094 6.606 3.327 1.00 0.79 O ATOM 2680 CB SER B 73 5.169 7.938 2.924 1.00 0.95 C ATOM 2681 OG SER B 73 4.930 8.436 1.625 1.00 1.34 O ATOM 0 H SER B 73 5.882 10.264 2.701 1.00 0.70 H new ATOM 0 HA SER B 73 6.623 8.212 4.506 1.00 0.77 H new ATOM 0 HB2 SER B 73 5.138 6.848 2.913 1.00 0.95 H new ATOM 0 HB3 SER B 73 4.381 8.272 3.599 1.00 0.95 H new ATOM 0 HG SER B 73 4.600 9.357 1.683 1.00 1.34 H new ATOM 2687 N VAL B 74 8.218 8.101 1.639 1.00 0.77 N ATOM 2688 CA VAL B 74 9.440 7.523 1.051 1.00 0.77 C ATOM 2689 C VAL B 74 10.688 7.882 1.842 1.00 0.69 C ATOM 2690 O VAL B 74 11.567 7.040 1.920 1.00 0.68 O ATOM 2691 CB VAL B 74 9.692 7.865 -0.430 1.00 0.88 C ATOM 2692 CG1 VAL B 74 8.520 7.391 -1.284 1.00 1.01 C ATOM 2693 CG2 VAL B 74 10.034 9.328 -0.734 1.00 0.89 C ATOM 0 H VAL B 74 7.833 8.885 1.112 1.00 0.77 H new ATOM 0 HA VAL B 74 9.244 6.452 1.104 1.00 0.77 H new ATOM 0 HB VAL B 74 10.601 7.324 -0.691 1.00 0.88 H new ATOM 0 HG11 VAL B 74 8.708 7.638 -2.329 1.00 1.01 H new ATOM 0 HG12 VAL B 74 8.407 6.312 -1.180 1.00 1.01 H new ATOM 0 HG13 VAL B 74 7.606 7.885 -0.954 1.00 1.01 H new ATOM 0 HG21 VAL B 74 10.190 9.450 -1.806 1.00 0.89 H new ATOM 0 HG22 VAL B 74 9.213 9.968 -0.412 1.00 0.89 H new ATOM 0 HG23 VAL B 74 10.943 9.608 -0.201 1.00 0.89 H new ATOM 2703 N PHE B 75 10.774 9.060 2.470 1.00 0.65 N ATOM 2704 CA PHE B 75 11.897 9.391 3.347 1.00 0.61 C ATOM 2705 C PHE B 75 11.855 8.530 4.619 1.00 0.58 C ATOM 2706 O PHE B 75 12.880 7.967 4.996 1.00 0.58 O ATOM 2707 CB PHE B 75 11.875 10.900 3.630 1.00 0.58 C ATOM 2708 CG PHE B 75 13.163 11.486 4.174 1.00 0.54 C ATOM 2709 CD1 PHE B 75 13.543 11.265 5.508 1.00 1.64 C ATOM 2710 CD2 PHE B 75 13.959 12.305 3.354 1.00 1.74 C ATOM 2711 CE1 PHE B 75 14.694 11.879 6.033 1.00 1.60 C ATOM 2712 CE2 PHE B 75 15.113 12.913 3.874 1.00 1.81 C ATOM 2713 CZ PHE B 75 15.481 12.707 5.214 1.00 0.63 C ATOM 0 H PHE B 75 10.077 9.800 2.385 1.00 0.65 H new ATOM 0 HA PHE B 75 12.846 9.161 2.863 1.00 0.61 H new ATOM 0 HB2 PHE B 75 11.622 11.421 2.706 1.00 0.58 H new ATOM 0 HB3 PHE B 75 11.075 11.106 4.341 1.00 0.58 H new ATOM 0 HD1 PHE B 75 12.947 10.619 6.135 1.00 1.64 H new ATOM 0 HD2 PHE B 75 13.682 12.467 2.323 1.00 1.74 H new ATOM 0 HE1 PHE B 75 14.973 11.715 7.063 1.00 1.60 H new ATOM 0 HE2 PHE B 75 15.721 13.542 3.241 1.00 1.81 H new ATOM 0 HZ PHE B 75 16.365 13.183 5.613 1.00 0.63 H new ATOM 2723 N LEU B 76 10.675 8.320 5.225 1.00 0.60 N ATOM 2724 CA LEU B 76 10.481 7.388 6.341 1.00 0.60 C ATOM 2725 C LEU B 76 10.803 5.946 5.943 1.00 0.61 C ATOM 2726 O LEU B 76 11.537 5.270 6.659 1.00 0.60 O ATOM 2727 CB LEU B 76 9.034 7.489 6.846 1.00 0.61 C ATOM 2728 CG LEU B 76 8.672 8.795 7.579 1.00 0.63 C ATOM 2729 CD1 LEU B 76 7.181 8.724 7.944 1.00 1.20 C ATOM 2730 CD2 LEU B 76 9.545 9.009 8.824 1.00 0.97 C ATOM 0 H LEU B 76 9.819 8.801 4.948 1.00 0.60 H new ATOM 0 HA LEU B 76 11.171 7.666 7.138 1.00 0.60 H new ATOM 0 HB2 LEU B 76 8.363 7.373 5.995 1.00 0.61 H new ATOM 0 HB3 LEU B 76 8.844 6.652 7.518 1.00 0.61 H new ATOM 0 HG LEU B 76 8.861 9.650 6.930 1.00 0.63 H new ATOM 0 HD11 LEU B 76 6.890 9.636 8.466 1.00 1.20 H new ATOM 0 HD12 LEU B 76 6.588 8.622 7.035 1.00 1.20 H new ATOM 0 HD13 LEU B 76 7.005 7.864 8.590 1.00 1.20 H new ATOM 0 HD21 LEU B 76 9.259 9.940 9.313 1.00 0.97 H new ATOM 0 HD22 LEU B 76 9.403 8.178 9.515 1.00 0.97 H new ATOM 0 HD23 LEU B 76 10.593 9.061 8.529 1.00 0.97 H new ATOM 2742 N THR B 77 10.303 5.484 4.788 1.00 0.65 N ATOM 2743 CA THR B 77 10.586 4.145 4.254 1.00 0.66 C ATOM 2744 C THR B 77 12.069 3.972 3.958 1.00 0.68 C ATOM 2745 O THR B 77 12.641 2.957 4.338 1.00 0.72 O ATOM 2746 CB THR B 77 9.732 3.861 3.019 1.00 0.71 C ATOM 2747 OG1 THR B 77 8.401 3.764 3.447 1.00 0.81 O ATOM 2748 CG2 THR B 77 10.126 2.555 2.331 1.00 0.72 C ATOM 0 H THR B 77 9.685 6.035 4.193 1.00 0.65 H new ATOM 0 HA THR B 77 10.320 3.414 5.017 1.00 0.66 H new ATOM 0 HB THR B 77 9.877 4.665 2.297 1.00 0.71 H new ATOM 0 HG1 THR B 77 8.010 4.661 3.504 1.00 0.81 H new ATOM 0 HG21 THR B 77 9.491 2.397 1.459 1.00 0.72 H new ATOM 0 HG22 THR B 77 11.168 2.610 2.016 1.00 0.72 H new ATOM 0 HG23 THR B 77 10.001 1.725 3.026 1.00 0.72 H new ATOM 2756 N MET B 78 12.705 4.963 3.338 1.00 0.68 N ATOM 2757 CA MET B 78 14.138 4.982 3.042 1.00 0.72 C ATOM 2758 C MET B 78 14.966 4.919 4.328 1.00 0.72 C ATOM 2759 O MET B 78 15.913 4.143 4.392 1.00 0.78 O ATOM 2760 CB MET B 78 14.440 6.231 2.200 1.00 0.72 C ATOM 2761 CG MET B 78 15.910 6.383 1.822 1.00 0.88 C ATOM 2762 SD MET B 78 16.253 7.525 0.451 1.00 1.14 S ATOM 2763 CE MET B 78 15.116 8.891 0.802 1.00 1.19 C ATOM 0 H MET B 78 12.223 5.803 3.017 1.00 0.68 H new ATOM 0 HA MET B 78 14.419 4.100 2.467 1.00 0.72 H new ATOM 0 HB2 MET B 78 13.843 6.196 1.289 1.00 0.72 H new ATOM 0 HB3 MET B 78 14.124 7.115 2.754 1.00 0.72 H new ATOM 0 HG2 MET B 78 16.459 6.722 2.700 1.00 0.88 H new ATOM 0 HG3 MET B 78 16.303 5.401 1.560 1.00 0.88 H new ATOM 0 HE1 MET B 78 15.508 9.811 0.369 1.00 1.19 H new ATOM 0 HE2 MET B 78 14.140 8.673 0.368 1.00 1.19 H new ATOM 0 HE3 MET B 78 15.015 9.012 1.881 1.00 1.19 H new ATOM 2773 N LEU B 79 14.568 5.654 5.375 1.00 0.69 N ATOM 2774 CA LEU B 79 15.152 5.503 6.710 1.00 0.77 C ATOM 2775 C LEU B 79 14.973 4.095 7.259 1.00 0.83 C ATOM 2776 O LEU B 79 15.940 3.515 7.736 1.00 0.90 O ATOM 2777 CB LEU B 79 14.544 6.522 7.698 1.00 0.96 C ATOM 2778 CG LEU B 79 15.527 7.617 8.123 1.00 0.98 C ATOM 2779 CD1 LEU B 79 16.765 7.021 8.828 1.00 1.23 C ATOM 2780 CD2 LEU B 79 15.893 8.479 6.903 1.00 2.24 C ATOM 0 H LEU B 79 13.838 6.364 5.319 1.00 0.69 H new ATOM 0 HA LEU B 79 16.220 5.693 6.605 1.00 0.77 H new ATOM 0 HB2 LEU B 79 13.671 6.986 7.239 1.00 0.96 H new ATOM 0 HB3 LEU B 79 14.195 5.993 8.585 1.00 0.96 H new ATOM 0 HG LEU B 79 15.050 8.264 8.859 1.00 0.98 H new ATOM 0 HD11 LEU B 79 17.442 7.825 9.116 1.00 1.23 H new ATOM 0 HD12 LEU B 79 16.450 6.476 9.718 1.00 1.23 H new ATOM 0 HD13 LEU B 79 17.278 6.341 8.148 1.00 1.23 H new ATOM 0 HD21 LEU B 79 16.593 9.258 7.205 1.00 2.24 H new ATOM 0 HD22 LEU B 79 16.355 7.852 6.140 1.00 2.24 H new ATOM 0 HD23 LEU B 79 14.991 8.938 6.498 1.00 2.24 H new ATOM 2792 N CYS B 80 13.755 3.555 7.180 1.00 0.84 N ATOM 2793 CA CYS B 80 13.423 2.225 7.680 1.00 0.92 C ATOM 2794 C CYS B 80 14.282 1.144 7.005 1.00 0.94 C ATOM 2795 O CYS B 80 14.901 0.334 7.681 1.00 0.98 O ATOM 2796 CB CYS B 80 11.911 2.015 7.490 1.00 0.98 C ATOM 2797 SG CYS B 80 11.320 0.774 8.665 1.00 1.03 S ATOM 0 H CYS B 80 12.962 4.039 6.760 1.00 0.84 H new ATOM 0 HA CYS B 80 13.653 2.141 8.742 1.00 0.92 H new ATOM 0 HB2 CYS B 80 11.381 2.955 7.641 1.00 0.98 H new ATOM 0 HB3 CYS B 80 11.704 1.693 6.470 1.00 0.98 H new ATOM 0 HG CYS B 80 10.098 0.444 8.369 1.00 1.03 H new ATOM 2803 N MET B 81 14.416 1.169 5.677 1.00 0.96 N ATOM 2804 CA MET B 81 15.307 0.264 4.946 1.00 0.99 C ATOM 2805 C MET B 81 16.787 0.511 5.268 1.00 0.96 C ATOM 2806 O MET B 81 17.549 -0.449 5.309 1.00 1.04 O ATOM 2807 CB MET B 81 15.033 0.378 3.442 1.00 1.05 C ATOM 2808 CG MET B 81 13.607 -0.095 3.108 1.00 2.24 C ATOM 2809 SD MET B 81 13.288 -0.315 1.343 1.00 2.97 S ATOM 2810 CE MET B 81 14.346 -1.754 1.078 1.00 3.35 C ATOM 0 H MET B 81 13.909 1.819 5.077 1.00 0.96 H new ATOM 0 HA MET B 81 15.095 -0.754 5.271 1.00 0.99 H new ATOM 0 HB2 MET B 81 15.162 1.412 3.122 1.00 1.05 H new ATOM 0 HB3 MET B 81 15.758 -0.220 2.890 1.00 1.05 H new ATOM 0 HG2 MET B 81 13.422 -1.040 3.619 1.00 2.24 H new ATOM 0 HG3 MET B 81 12.895 0.628 3.506 1.00 2.24 H new ATOM 0 HE1 MET B 81 13.897 -2.402 0.325 1.00 3.35 H new ATOM 0 HE2 MET B 81 15.328 -1.426 0.736 1.00 3.35 H new ATOM 0 HE3 MET B 81 14.453 -2.304 2.013 1.00 3.35 H new ATOM 2820 N ALA B 82 17.177 1.755 5.573 1.00 0.97 N ATOM 2821 CA ALA B 82 18.528 2.100 6.022 1.00 1.01 C ATOM 2822 C ALA B 82 18.893 1.608 7.445 1.00 1.01 C ATOM 2823 O ALA B 82 20.006 1.874 7.909 1.00 1.19 O ATOM 2824 CB ALA B 82 18.747 3.611 5.852 1.00 1.12 C ATOM 0 H ALA B 82 16.553 2.560 5.513 1.00 0.97 H new ATOM 0 HA ALA B 82 19.221 1.552 5.384 1.00 1.01 H new ATOM 0 HB1 ALA B 82 19.751 3.873 6.185 1.00 1.12 H new ATOM 0 HB2 ALA B 82 18.631 3.880 4.802 1.00 1.12 H new ATOM 0 HB3 ALA B 82 18.014 4.154 6.448 1.00 1.12 H new ATOM 2830 N TYR B 83 17.999 0.890 8.144 1.00 1.02 N ATOM 2831 CA TYR B 83 18.300 0.165 9.392 1.00 1.12 C ATOM 2832 C TYR B 83 17.618 -1.210 9.564 1.00 1.19 C ATOM 2833 O TYR B 83 17.870 -1.898 10.555 1.00 1.54 O ATOM 2834 CB TYR B 83 18.065 1.091 10.598 1.00 1.40 C ATOM 2835 CG TYR B 83 16.683 1.702 10.784 1.00 1.55 C ATOM 2836 CD1 TYR B 83 15.603 0.896 11.190 1.00 2.80 C ATOM 2837 CD2 TYR B 83 16.497 3.095 10.644 1.00 2.17 C ATOM 2838 CE1 TYR B 83 14.339 1.469 11.425 1.00 3.02 C ATOM 2839 CE2 TYR B 83 15.242 3.676 10.900 1.00 2.25 C ATOM 2840 CZ TYR B 83 14.153 2.861 11.277 1.00 2.01 C ATOM 2841 OH TYR B 83 12.922 3.407 11.472 1.00 2.29 O ATOM 0 H TYR B 83 17.026 0.795 7.852 1.00 1.02 H new ATOM 0 HA TYR B 83 19.354 -0.104 9.328 1.00 1.12 H new ATOM 0 HB2 TYR B 83 18.303 0.528 11.500 1.00 1.40 H new ATOM 0 HB3 TYR B 83 18.783 1.908 10.534 1.00 1.40 H new ATOM 0 HD1 TYR B 83 15.745 -0.167 11.322 1.00 2.80 H new ATOM 0 HD2 TYR B 83 17.324 3.718 10.338 1.00 2.17 H new ATOM 0 HE1 TYR B 83 13.510 0.843 11.719 1.00 3.02 H new ATOM 0 HE2 TYR B 83 15.112 4.744 10.808 1.00 2.25 H new ATOM 0 HH TYR B 83 12.968 4.376 11.332 1.00 2.29 H new ATOM 2851 N ASN B 84 16.797 -1.647 8.606 1.00 1.22 N ATOM 2852 CA ASN B 84 16.128 -2.952 8.632 1.00 1.46 C ATOM 2853 C ASN B 84 16.990 -4.105 8.092 1.00 1.48 C ATOM 2854 O ASN B 84 16.472 -5.191 7.833 1.00 1.74 O ATOM 2855 CB ASN B 84 14.719 -2.860 8.002 1.00 1.70 C ATOM 2856 CG ASN B 84 13.668 -2.175 8.887 1.00 2.12 C ATOM 2857 OD1 ASN B 84 13.932 -1.599 9.928 1.00 2.86 O ATOM 2858 ND2 ASN B 84 12.404 -2.251 8.508 1.00 2.73 N ATOM 0 H ASN B 84 16.574 -1.096 7.777 1.00 1.22 H new ATOM 0 HA ASN B 84 15.986 -3.221 9.679 1.00 1.46 H new ATOM 0 HB2 ASN B 84 14.791 -2.317 7.060 1.00 1.70 H new ATOM 0 HB3 ASN B 84 14.375 -3.867 7.764 1.00 1.70 H new ATOM 0 HD21 ASN B 84 11.673 -1.832 9.083 1.00 2.73 H new ATOM 0 HD22 ASN B 84 12.160 -2.728 7.640 1.00 2.73 H new ATOM 2865 N ASP B 85 18.318 -3.947 8.015 1.00 2.10 N ATOM 2866 CA ASP B 85 19.244 -5.076 7.906 1.00 2.34 C ATOM 2867 C ASP B 85 19.150 -6.036 9.108 1.00 2.46 C ATOM 2868 O ASP B 85 19.248 -7.252 8.947 1.00 2.60 O ATOM 2869 CB ASP B 85 20.675 -4.540 7.687 1.00 3.40 C ATOM 2870 CG ASP B 85 21.173 -3.551 8.761 1.00 3.77 C ATOM 2871 OD1 ASP B 85 20.570 -2.450 8.868 1.00 4.58 O ATOM 2872 OD2 ASP B 85 22.167 -3.866 9.450 1.00 4.24 O ATOM 0 H ASP B 85 18.777 -3.036 8.027 1.00 2.10 H new ATOM 0 HA ASP B 85 18.961 -5.677 7.042 1.00 2.34 H new ATOM 0 HB2 ASP B 85 21.361 -5.386 7.648 1.00 3.40 H new ATOM 0 HB3 ASP B 85 20.718 -4.049 6.715 1.00 3.40 H new