USER MOD reduce.3.24.130724 H: found=0, std=0, add=1434, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1434 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 74 LYS NZ :NH3+ -125:sc= 0.841 (180deg=-0.473) USER MOD Set 1.2: B 78 GLN : amide:sc= 0.395 K(o=1.2,f=-5!) USER MOD Set 2.1: B 17 TYR OH : rot 66:sc= 1.23 USER MOD Set 2.2: B 47 SER OG : rot -101:sc= 0.374 USER MOD Set 3.1: A 17 TYR OH : rot 45:sc= 1.28 USER MOD Set 3.2: A 47 SER OG : rot -103:sc= 1.11 USER MOD Set 4.1: A 19 GLN : amide:sc= -0.345 K(o=-0.38,f=0.81) USER MOD Set 4.2: A 21 TYR OH : rot 180:sc= -0.0392 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -164:sc= -0.015 (180deg=-0.286) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 9 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00218) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 115:sc= 1.27 USER MOD Single : A 31 HIS : no HE2:sc= 0.929 K(o=0.93,f=-5.8!) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 1.07 (180deg=0.798) USER MOD Single : A 43 MET CE :methyl 156:sc= -0.144 (180deg=-0.739) USER MOD Single : A 44 HIS : no HE2:sc= 0.536 K(o=0.54,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.7!) USER MOD Single : A 52 MET CE :methyl -169:sc= -0.0163 (180deg=-0.214) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 1.11 (180deg=0.951) USER MOD Single : A 62 THR OG1 : rot 32:sc= 0.844 USER MOD Single : A 65 GLN : amide:sc= -0.367 K(o=-0.37,f=-1.8) USER MOD Single : A 68 SER OG : rot -86:sc= 1.33 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -122:sc= 2.39 (180deg=-0.407) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.0685 (180deg=-0.371) USER MOD Single : A 77 TYR OH : rot 120:sc= 0.697 USER MOD Single : A 78 GLN : amide:sc= -0.423 K(o=-0.42,f=-1.3) USER MOD Single : A 83 GLN : amide:sc= -0.393 K(o=-0.39,f=-2.1!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 143:sc= 0.0155 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0662 USER MOD Single : B 3 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot -50:sc= 0.869 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 9 LYS NZ :NH3+ -133:sc= -0.132 (180deg=-0.684) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0.0265 USER MOD Single : B 19 GLN : amide:sc= -0.863 K(o=-0.86,f=-0.11) USER MOD Single : B 21 TYR OH : rot 165:sc= -0.698 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 82:sc= 1.21 USER MOD Single : B 31 HIS : no HE2:sc= -0.202 K(o=-0.2,f=-1) USER MOD Single : B 42 LYS NZ :NH3+ -172:sc= 2.15 (180deg=2.03) USER MOD Single : B 43 MET CE :methyl 176:sc= -0.619 (180deg=-0.718) USER MOD Single : B 44 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.2!) USER MOD Single : B 49 LYS NZ :NH3+ -167:sc= -0.0656 (180deg=-0.269) USER MOD Single : B 50 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.4!) USER MOD Single : B 52 MET CE :methyl -159:sc= -0.0765 (180deg=-0.476) USER MOD Single : B 57 LYS NZ :NH3+ -142:sc= 1.3 (180deg=-0.0986) USER MOD Single : B 62 THR OG1 : rot -29:sc= 0.978 USER MOD Single : B 65 GLN : amide:sc= -0.184 K(o=-0.18,f=-3.3!) USER MOD Single : B 68 SER OG : rot 72:sc= -0.624! USER MOD Single : B 70 TYR OH : rot 146:sc= 0.104 USER MOD Single : B 72 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.13) USER MOD Single : B 77 TYR OH : rot 180:sc= 0.268 USER MOD Single : B 83 GLN : amide:sc= -0.882 K(o=-0.88,f=0) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 LYS NZ :NH3+ -167:sc= -0.0232 (180deg=-0.239) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.185 -3.304 -16.812 1.00 0.23 N ATOM 2 CA GLY A 1 30.385 -2.447 -16.964 1.00 0.52 C ATOM 3 C GLY A 1 30.059 -0.983 -16.765 1.00 0.32 C ATOM 4 O GLY A 1 29.791 -0.267 -17.729 1.00 0.19 O ATOM 0 H1 GLY A 1 29.449 -4.300 -16.956 1.00 0.23 H new ATOM 0 H2 GLY A 1 28.792 -3.184 -15.857 1.00 0.23 H new ATOM 0 H3 GLY A 1 28.471 -3.030 -17.517 1.00 0.23 H new ATOM 0 HA2 GLY A 1 31.143 -2.752 -16.243 1.00 0.52 H new ATOM 0 HA3 GLY A 1 30.812 -2.593 -17.956 1.00 0.52 H new ATOM 10 N SER A 2 30.076 -0.541 -15.516 1.00 0.42 N ATOM 11 CA SER A 2 29.769 0.839 -15.184 1.00 0.34 C ATOM 12 C SER A 2 30.475 1.240 -13.891 1.00 0.28 C ATOM 13 O SER A 2 30.936 0.379 -13.140 1.00 0.53 O ATOM 14 CB SER A 2 28.252 1.019 -15.048 1.00 0.58 C ATOM 15 OG SER A 2 27.641 -0.163 -14.552 1.00 0.54 O ATOM 0 H SER A 2 30.301 -1.125 -14.711 1.00 0.42 H new ATOM 0 HA SER A 2 30.126 1.486 -15.985 1.00 0.34 H new ATOM 0 HB2 SER A 2 28.040 1.851 -14.377 1.00 0.58 H new ATOM 0 HB3 SER A 2 27.824 1.274 -16.018 1.00 0.58 H new ATOM 0 HG SER A 2 26.674 -0.023 -14.472 1.00 0.54 H new ATOM 21 N HIS A 3 30.565 2.537 -13.644 1.00 0.18 N ATOM 22 CA HIS A 3 31.217 3.037 -12.444 1.00 0.13 C ATOM 23 C HIS A 3 30.203 3.744 -11.556 1.00 0.16 C ATOM 24 O HIS A 3 29.354 4.489 -12.046 1.00 0.31 O ATOM 25 CB HIS A 3 32.351 3.994 -12.817 1.00 0.26 C ATOM 26 CG HIS A 3 33.475 3.999 -11.829 1.00 0.54 C ATOM 27 ND1 HIS A 3 33.721 5.046 -10.965 1.00 1.06 N ATOM 28 CD2 HIS A 3 34.431 3.076 -11.576 1.00 1.49 C ATOM 29 CE1 HIS A 3 34.779 4.762 -10.226 1.00 1.02 C ATOM 30 NE2 HIS A 3 35.224 3.572 -10.576 1.00 1.41 N ATOM 0 H HIS A 3 30.195 3.262 -14.258 1.00 0.18 H new ATOM 0 HA HIS A 3 31.639 2.194 -11.896 1.00 0.13 H new ATOM 0 HB2 HIS A 3 32.740 3.719 -13.797 1.00 0.26 H new ATOM 0 HB3 HIS A 3 31.950 5.004 -12.905 1.00 0.26 H new ATOM 0 HD2 HIS A 3 34.547 2.123 -12.071 1.00 1.49 H new ATOM 0 HE1 HIS A 3 35.206 5.397 -9.464 1.00 1.02 H new ATOM 0 HE2 HIS A 3 36.029 3.097 -10.168 1.00 1.41 H new ATOM 39 N MET A 4 30.289 3.513 -10.253 1.00 0.20 N ATOM 40 CA MET A 4 29.368 4.134 -9.310 1.00 0.25 C ATOM 41 C MET A 4 29.804 5.565 -8.992 1.00 0.20 C ATOM 42 O MET A 4 30.360 5.841 -7.928 1.00 0.30 O ATOM 43 CB MET A 4 29.271 3.299 -8.027 1.00 0.37 C ATOM 44 CG MET A 4 28.164 3.750 -7.086 1.00 0.43 C ATOM 45 SD MET A 4 27.967 2.661 -5.660 1.00 0.28 S ATOM 46 CE MET A 4 27.236 1.221 -6.439 1.00 0.33 C ATOM 0 H MET A 4 30.985 2.902 -9.825 1.00 0.20 H new ATOM 0 HA MET A 4 28.380 4.174 -9.769 1.00 0.25 H new ATOM 0 HB2 MET A 4 29.105 2.255 -8.295 1.00 0.37 H new ATOM 0 HB3 MET A 4 30.224 3.346 -7.501 1.00 0.37 H new ATOM 0 HG2 MET A 4 28.379 4.760 -6.738 1.00 0.43 H new ATOM 0 HG3 MET A 4 27.223 3.795 -7.635 1.00 0.43 H new ATOM 0 HE1 MET A 4 26.796 0.579 -5.676 1.00 0.33 H new ATOM 0 HE2 MET A 4 26.462 1.539 -7.137 1.00 0.33 H new ATOM 0 HE3 MET A 4 28.006 0.669 -6.978 1.00 0.33 H new ATOM 56 N THR A 5 29.570 6.463 -9.940 1.00 0.32 N ATOM 57 CA THR A 5 29.926 7.865 -9.779 1.00 0.34 C ATOM 58 C THR A 5 28.920 8.584 -8.884 1.00 0.34 C ATOM 59 O THR A 5 29.296 9.393 -8.034 1.00 0.37 O ATOM 60 CB THR A 5 29.994 8.572 -11.149 1.00 0.36 C ATOM 61 OG1 THR A 5 30.837 7.828 -12.040 1.00 0.33 O ATOM 62 CG2 THR A 5 30.524 9.993 -11.016 1.00 0.54 C ATOM 0 H THR A 5 29.132 6.242 -10.834 1.00 0.32 H new ATOM 0 HA THR A 5 30.908 7.904 -9.308 1.00 0.34 H new ATOM 0 HB THR A 5 28.982 8.621 -11.551 1.00 0.36 H new ATOM 0 HG1 THR A 5 30.875 8.280 -12.908 1.00 0.33 H new ATOM 0 HG21 THR A 5 30.559 10.462 -11.999 1.00 0.54 H new ATOM 0 HG22 THR A 5 29.866 10.567 -10.363 1.00 0.54 H new ATOM 0 HG23 THR A 5 31.527 9.969 -10.590 1.00 0.54 H new ATOM 70 N GLU A 6 27.643 8.281 -9.075 1.00 0.35 N ATOM 71 CA GLU A 6 26.587 8.903 -8.292 1.00 0.39 C ATOM 72 C GLU A 6 25.811 7.845 -7.518 1.00 0.32 C ATOM 73 O GLU A 6 26.147 6.660 -7.564 1.00 0.30 O ATOM 74 CB GLU A 6 25.635 9.683 -9.201 1.00 0.52 C ATOM 75 CG GLU A 6 26.340 10.616 -10.172 1.00 0.53 C ATOM 76 CD GLU A 6 25.386 11.560 -10.864 1.00 1.16 C ATOM 77 OE1 GLU A 6 24.566 11.092 -11.679 1.00 1.64 O ATOM 78 OE2 GLU A 6 25.458 12.777 -10.602 1.00 1.31 O1- ATOM 0 H GLU A 6 27.314 7.607 -9.767 1.00 0.35 H new ATOM 0 HA GLU A 6 27.045 9.595 -7.586 1.00 0.39 H new ATOM 0 HB2 GLU A 6 25.028 8.977 -9.767 1.00 0.52 H new ATOM 0 HB3 GLU A 6 24.953 10.266 -8.582 1.00 0.52 H new ATOM 0 HG2 GLU A 6 27.092 11.194 -9.634 1.00 0.53 H new ATOM 0 HG3 GLU A 6 26.868 10.025 -10.920 1.00 0.53 H new ATOM 85 N GLN A 7 24.780 8.281 -6.811 1.00 0.30 N ATOM 86 CA GLN A 7 23.946 7.375 -6.034 1.00 0.25 C ATOM 87 C GLN A 7 22.625 7.124 -6.751 1.00 0.23 C ATOM 88 O GLN A 7 21.732 7.971 -6.741 1.00 0.29 O ATOM 89 CB GLN A 7 23.689 7.947 -4.639 1.00 0.29 C ATOM 90 CG GLN A 7 24.413 7.195 -3.534 1.00 0.42 C ATOM 91 CD GLN A 7 24.171 7.805 -2.171 1.00 1.19 C ATOM 92 OE1 GLN A 7 23.985 9.013 -2.042 1.00 1.46 O ATOM 93 NE2 GLN A 7 24.179 6.978 -1.140 1.00 1.77 N ATOM 0 H GLN A 7 24.499 9.260 -6.759 1.00 0.30 H new ATOM 0 HA GLN A 7 24.473 6.427 -5.929 1.00 0.25 H new ATOM 0 HB2 GLN A 7 23.999 8.992 -4.620 1.00 0.29 H new ATOM 0 HB3 GLN A 7 22.618 7.929 -4.439 1.00 0.29 H new ATOM 0 HG2 GLN A 7 24.084 6.156 -3.528 1.00 0.42 H new ATOM 0 HG3 GLN A 7 25.483 7.189 -3.742 1.00 0.42 H new ATOM 0 HE21 GLN A 7 24.337 5.981 -1.287 1.00 1.77 H new ATOM 0 HE22 GLN A 7 24.027 7.337 -0.197 1.00 1.77 H new ATOM 102 N PRO A 8 22.497 5.962 -7.403 1.00 0.18 N ATOM 103 CA PRO A 8 21.284 5.592 -8.126 1.00 0.17 C ATOM 104 C PRO A 8 20.244 4.959 -7.202 1.00 0.19 C ATOM 105 O PRO A 8 20.431 4.916 -5.984 1.00 0.25 O ATOM 106 CB PRO A 8 21.807 4.577 -9.142 1.00 0.18 C ATOM 107 CG PRO A 8 22.937 3.900 -8.443 1.00 0.20 C ATOM 108 CD PRO A 8 23.527 4.912 -7.491 1.00 0.18 C ATOM 0 HA PRO A 8 20.775 6.444 -8.576 1.00 0.17 H new ATOM 0 HB2 PRO A 8 21.032 3.865 -9.427 1.00 0.18 H new ATOM 0 HB3 PRO A 8 22.142 5.067 -10.056 1.00 0.18 H new ATOM 0 HG2 PRO A 8 22.587 3.020 -7.904 1.00 0.20 H new ATOM 0 HG3 PRO A 8 23.686 3.559 -9.158 1.00 0.20 H new ATOM 0 HD2 PRO A 8 23.731 4.471 -6.516 1.00 0.18 H new ATOM 0 HD3 PRO A 8 24.471 5.309 -7.865 1.00 0.18 H new ATOM 116 N LYS A 9 19.148 4.470 -7.778 1.00 0.17 N ATOM 117 CA LYS A 9 18.095 3.833 -6.999 1.00 0.20 C ATOM 118 C LYS A 9 18.593 2.495 -6.460 1.00 0.23 C ATOM 119 O LYS A 9 18.476 1.460 -7.118 1.00 0.30 O ATOM 120 CB LYS A 9 16.839 3.627 -7.852 1.00 0.14 C ATOM 121 CG LYS A 9 16.309 4.906 -8.495 1.00 0.33 C ATOM 122 CD LYS A 9 14.965 4.678 -9.168 1.00 0.76 C ATOM 123 CE LYS A 9 14.554 5.861 -10.031 1.00 1.45 C ATOM 124 NZ LYS A 9 14.368 7.104 -9.235 1.00 2.23 N1+ ATOM 0 H LYS A 9 18.968 4.504 -8.781 1.00 0.17 H new ATOM 0 HA LYS A 9 17.835 4.483 -6.163 1.00 0.20 H new ATOM 0 HB2 LYS A 9 17.059 2.903 -8.636 1.00 0.14 H new ATOM 0 HB3 LYS A 9 16.056 3.194 -7.229 1.00 0.14 H new ATOM 0 HG2 LYS A 9 16.209 5.682 -7.736 1.00 0.33 H new ATOM 0 HG3 LYS A 9 17.028 5.270 -9.230 1.00 0.33 H new ATOM 0 HD2 LYS A 9 15.015 3.780 -9.784 1.00 0.76 H new ATOM 0 HD3 LYS A 9 14.204 4.501 -8.408 1.00 0.76 H new ATOM 0 HE2 LYS A 9 15.313 6.032 -10.795 1.00 1.45 H new ATOM 0 HE3 LYS A 9 13.626 5.623 -10.551 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 14.072 7.878 -9.864 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 13.637 6.947 -8.512 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 15.264 7.357 -8.772 1.00 2.23 H new ATOM 138 N THR A 10 19.171 2.534 -5.271 1.00 0.30 N ATOM 139 CA THR A 10 19.712 1.348 -4.637 1.00 0.36 C ATOM 140 C THR A 10 18.604 0.448 -4.096 1.00 0.30 C ATOM 141 O THR A 10 17.479 0.894 -3.841 1.00 0.27 O ATOM 142 CB THR A 10 20.685 1.732 -3.497 1.00 0.49 C ATOM 143 OG1 THR A 10 21.463 0.595 -3.099 1.00 0.62 O ATOM 144 CG2 THR A 10 19.936 2.284 -2.287 1.00 0.60 C ATOM 0 H THR A 10 19.277 3.387 -4.721 1.00 0.30 H new ATOM 0 HA THR A 10 20.260 0.793 -5.399 1.00 0.36 H new ATOM 0 HB THR A 10 21.346 2.510 -3.879 1.00 0.49 H new ATOM 0 HG1 THR A 10 22.075 0.853 -2.379 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.649 2.544 -1.505 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.378 3.174 -2.579 1.00 0.60 H new ATOM 0 HG23 THR A 10 19.245 1.529 -1.912 1.00 0.60 H new ATOM 152 N ARG A 11 18.932 -0.823 -3.929 1.00 0.30 N ATOM 153 CA ARG A 11 17.988 -1.793 -3.408 1.00 0.26 C ATOM 154 C ARG A 11 18.250 -2.027 -1.931 1.00 0.21 C ATOM 155 O ARG A 11 19.401 -2.069 -1.493 1.00 0.22 O ATOM 156 CB ARG A 11 18.060 -3.115 -4.180 1.00 0.32 C ATOM 157 CG ARG A 11 19.466 -3.665 -4.354 1.00 0.40 C ATOM 158 CD ARG A 11 19.439 -5.089 -4.880 1.00 0.55 C ATOM 159 NE ARG A 11 20.643 -5.405 -5.648 1.00 0.68 N ATOM 160 CZ ARG A 11 20.632 -5.814 -6.917 1.00 1.07 C ATOM 161 NH1 ARG A 11 19.481 -6.010 -7.548 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 21.773 -6.048 -7.553 1.00 1.17 N ATOM 0 H ARG A 11 19.851 -1.207 -4.149 1.00 0.30 H new ATOM 0 HA ARG A 11 16.983 -1.391 -3.535 1.00 0.26 H new ATOM 0 HB2 ARG A 11 17.454 -3.858 -3.661 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.615 -2.971 -5.165 1.00 0.32 H new ATOM 0 HG2 ARG A 11 20.024 -3.031 -5.043 1.00 0.40 H new ATOM 0 HG3 ARG A 11 19.991 -3.637 -3.399 1.00 0.40 H new ATOM 0 HD2 ARG A 11 19.347 -5.784 -4.045 1.00 0.55 H new ATOM 0 HD3 ARG A 11 18.559 -5.228 -5.509 1.00 0.55 H new ATOM 0 HE ARG A 11 21.546 -5.306 -5.184 1.00 0.68 H new ATOM 0 HH11 ARG A 11 18.599 -5.848 -7.062 1.00 1.36 H new ATOM 0 HH12 ARG A 11 19.478 -6.323 -8.519 1.00 1.36 H new ATOM 0 HH21 ARG A 11 22.662 -5.915 -7.071 1.00 1.17 H new ATOM 0 HH22 ARG A 11 21.761 -6.361 -8.524 1.00 1.17 H new ATOM 176 N VAL A 12 17.187 -2.178 -1.171 1.00 0.16 N ATOM 177 CA VAL A 12 17.295 -2.397 0.256 1.00 0.12 C ATOM 178 C VAL A 12 16.729 -3.768 0.618 1.00 0.14 C ATOM 179 O VAL A 12 15.754 -4.227 0.017 1.00 0.18 O ATOM 180 CB VAL A 12 16.571 -1.279 1.050 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.076 -1.279 0.766 1.00 0.08 C ATOM 182 CG2 VAL A 12 16.838 -1.406 2.542 1.00 0.12 C ATOM 0 H VAL A 12 16.229 -2.153 -1.521 1.00 0.16 H new ATOM 0 HA VAL A 12 18.350 -2.367 0.529 1.00 0.12 H new ATOM 0 HB VAL A 12 16.975 -0.324 0.715 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.597 -0.484 1.338 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.908 -1.113 -0.298 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.651 -2.240 1.055 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.318 -0.609 3.074 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.478 -2.373 2.895 1.00 0.12 H new ATOM 0 HG23 VAL A 12 17.909 -1.327 2.728 1.00 0.12 H new ATOM 192 N SER A 13 17.360 -4.429 1.573 1.00 0.14 N ATOM 193 CA SER A 13 16.917 -5.741 2.012 1.00 0.17 C ATOM 194 C SER A 13 16.295 -5.636 3.399 1.00 0.12 C ATOM 195 O SER A 13 17.000 -5.518 4.401 1.00 0.15 O ATOM 196 CB SER A 13 18.097 -6.718 2.016 1.00 0.25 C ATOM 197 OG SER A 13 18.810 -6.653 0.789 1.00 0.56 O ATOM 0 H SER A 13 18.184 -4.077 2.061 1.00 0.14 H new ATOM 0 HA SER A 13 16.163 -6.119 1.322 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.766 -6.483 2.844 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.734 -7.733 2.178 1.00 0.25 H new ATOM 0 HG SER A 13 19.560 -7.283 0.813 1.00 0.56 H new ATOM 203 N VAL A 14 14.974 -5.652 3.449 1.00 0.06 N ATOM 204 CA VAL A 14 14.263 -5.548 4.714 1.00 0.08 C ATOM 205 C VAL A 14 13.755 -6.911 5.153 1.00 0.08 C ATOM 206 O VAL A 14 13.845 -7.884 4.406 1.00 0.12 O ATOM 207 CB VAL A 14 13.076 -4.563 4.640 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.558 -3.157 4.317 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.038 -5.025 3.623 1.00 0.09 C ATOM 0 H VAL A 14 14.372 -5.736 2.630 1.00 0.06 H new ATOM 0 HA VAL A 14 14.976 -5.164 5.444 1.00 0.08 H new ATOM 0 HB VAL A 14 12.599 -4.544 5.620 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.704 -2.481 4.270 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.245 -2.820 5.094 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.071 -3.160 3.355 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.215 -4.311 3.594 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.498 -5.089 2.637 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.658 -6.005 3.910 1.00 0.09 H new ATOM 219 N ARG A 15 13.231 -6.985 6.367 1.00 0.05 N ATOM 220 CA ARG A 15 12.709 -8.234 6.886 1.00 0.05 C ATOM 221 C ARG A 15 11.280 -8.044 7.388 1.00 0.04 C ATOM 222 O ARG A 15 11.027 -7.230 8.276 1.00 0.07 O ATOM 223 CB ARG A 15 13.599 -8.762 8.015 1.00 0.06 C ATOM 224 CG ARG A 15 13.656 -10.280 8.080 1.00 0.06 C ATOM 225 CD ARG A 15 14.290 -10.761 9.373 1.00 0.11 C ATOM 226 NE ARG A 15 13.347 -10.725 10.492 1.00 0.16 N ATOM 227 CZ ARG A 15 13.410 -11.535 11.549 1.00 0.20 C ATOM 228 NH1 ARG A 15 14.370 -12.449 11.633 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 12.504 -11.439 12.515 1.00 0.26 N ATOM 0 H ARG A 15 13.157 -6.195 7.008 1.00 0.05 H new ATOM 0 HA ARG A 15 12.703 -8.966 6.078 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.609 -8.373 7.883 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.231 -8.379 8.967 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.648 -10.686 7.995 1.00 0.06 H new ATOM 0 HG3 ARG A 15 14.225 -10.660 7.232 1.00 0.06 H new ATOM 0 HD2 ARG A 15 14.657 -11.779 9.240 1.00 0.11 H new ATOM 0 HD3 ARG A 15 15.154 -10.139 9.607 1.00 0.11 H new ATOM 0 HE ARG A 15 12.595 -10.037 10.461 1.00 0.16 H new ATOM 0 HH11 ARG A 15 15.061 -12.532 10.888 1.00 0.20 H new ATOM 0 HH12 ARG A 15 14.416 -13.067 12.443 1.00 0.20 H new ATOM 0 HH21 ARG A 15 11.759 -10.745 12.449 1.00 0.26 H new ATOM 0 HH22 ARG A 15 12.553 -12.059 13.323 1.00 0.26 H new ATOM 243 N ILE A 16 10.352 -8.785 6.801 1.00 0.03 N ATOM 244 CA ILE A 16 8.950 -8.717 7.185 1.00 0.04 C ATOM 245 C ILE A 16 8.415 -10.127 7.419 1.00 0.04 C ATOM 246 O ILE A 16 8.646 -11.023 6.604 1.00 0.04 O ATOM 247 CB ILE A 16 8.090 -8.017 6.104 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.661 -6.637 5.776 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.643 -7.898 6.565 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.176 -6.080 4.456 1.00 0.07 C ATOM 0 H ILE A 16 10.548 -9.446 6.050 1.00 0.03 H new ATOM 0 HA ILE A 16 8.885 -8.130 8.101 1.00 0.04 H new ATOM 0 HB ILE A 16 8.114 -8.625 5.200 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.394 -5.944 6.574 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.749 -6.698 5.757 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.054 -7.404 5.792 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.237 -8.893 6.750 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.601 -7.313 7.483 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.622 -5.099 4.289 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.466 -6.753 3.649 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.090 -5.986 4.478 1.00 0.07 H new ATOM 262 N TYR A 17 7.740 -10.325 8.548 1.00 0.08 N ATOM 263 CA TYR A 17 7.160 -11.622 8.898 1.00 0.11 C ATOM 264 C TYR A 17 8.235 -12.699 9.046 1.00 0.19 C ATOM 265 O TYR A 17 7.974 -13.885 8.840 1.00 0.56 O ATOM 266 CB TYR A 17 6.127 -12.044 7.847 1.00 0.04 C ATOM 267 CG TYR A 17 4.763 -12.348 8.425 1.00 0.09 C ATOM 268 CD1 TYR A 17 4.123 -11.443 9.261 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.114 -13.539 8.131 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.875 -11.718 9.789 1.00 0.23 C ATOM 271 CE2 TYR A 17 2.867 -13.822 8.653 1.00 0.12 C ATOM 272 CZ TYR A 17 2.251 -12.907 9.482 1.00 0.20 C ATOM 273 OH TYR A 17 1.006 -13.183 10.007 1.00 0.25 O ATOM 0 H TYR A 17 7.579 -9.597 9.244 1.00 0.08 H new ATOM 0 HA TYR A 17 6.664 -11.513 9.863 1.00 0.11 H new ATOM 0 HB2 TYR A 17 6.030 -11.250 7.107 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.495 -12.926 7.322 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.608 -10.509 9.503 1.00 0.18 H new ATOM 0 HD2 TYR A 17 4.593 -14.258 7.482 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.392 -11.004 10.439 1.00 0.23 H new ATOM 0 HE2 TYR A 17 2.377 -14.754 8.414 1.00 0.12 H new ATOM 0 HH TYR A 17 0.436 -12.390 9.931 1.00 0.25 H new ATOM 283 N GLY A 18 9.442 -12.277 9.401 1.00 0.18 N ATOM 284 CA GLY A 18 10.532 -13.217 9.587 1.00 0.13 C ATOM 285 C GLY A 18 11.231 -13.591 8.293 1.00 0.05 C ATOM 286 O GLY A 18 12.112 -14.450 8.290 1.00 0.11 O ATOM 0 H GLY A 18 9.686 -11.300 9.564 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.261 -12.786 10.274 1.00 0.13 H new ATOM 0 HA3 GLY A 18 10.146 -14.121 10.058 1.00 0.13 H new ATOM 290 N GLN A 19 10.840 -12.964 7.193 1.00 0.05 N ATOM 291 CA GLN A 19 11.453 -13.246 5.904 1.00 0.10 C ATOM 292 C GLN A 19 12.055 -11.976 5.319 1.00 0.05 C ATOM 293 O GLN A 19 11.554 -10.879 5.551 1.00 0.08 O ATOM 294 CB GLN A 19 10.429 -13.841 4.934 1.00 0.19 C ATOM 295 CG GLN A 19 10.535 -15.351 4.790 1.00 0.14 C ATOM 296 CD GLN A 19 9.675 -15.905 3.668 1.00 0.49 C ATOM 297 OE1 GLN A 19 10.024 -16.902 3.040 1.00 0.68 O ATOM 298 NE2 GLN A 19 8.550 -15.261 3.397 1.00 0.67 N ATOM 0 H GLN A 19 10.103 -12.259 7.167 1.00 0.05 H new ATOM 0 HA GLN A 19 12.247 -13.977 6.055 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.426 -13.586 5.276 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.558 -13.381 3.954 1.00 0.19 H new ATOM 0 HG2 GLN A 19 11.576 -15.620 4.609 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.243 -15.821 5.729 1.00 0.14 H new ATOM 0 HE21 GLN A 19 8.291 -14.436 3.939 1.00 0.67 H new ATOM 0 HE22 GLN A 19 7.942 -15.590 2.647 1.00 0.67 H new ATOM 307 N ASP A 20 13.139 -12.132 4.576 1.00 0.12 N ATOM 308 CA ASP A 20 13.812 -10.998 3.954 1.00 0.10 C ATOM 309 C ASP A 20 13.172 -10.669 2.611 1.00 0.09 C ATOM 310 O ASP A 20 12.685 -11.559 1.913 1.00 0.10 O ATOM 311 CB ASP A 20 15.305 -11.295 3.762 1.00 0.17 C ATOM 312 CG ASP A 20 15.570 -12.249 2.612 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.546 -13.475 2.838 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 15.805 -11.776 1.478 1.00 0.55 O ATOM 0 H ASP A 20 13.574 -13.035 4.387 1.00 0.12 H new ATOM 0 HA ASP A 20 13.708 -10.137 4.615 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.837 -10.361 3.583 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.708 -11.720 4.681 1.00 0.17 H new ATOM 319 N TYR A 21 13.147 -9.389 2.270 1.00 0.07 N ATOM 320 CA TYR A 21 12.575 -8.936 1.005 1.00 0.07 C ATOM 321 C TYR A 21 13.434 -7.832 0.395 1.00 0.07 C ATOM 322 O TYR A 21 13.714 -6.823 1.046 1.00 0.16 O ATOM 323 CB TYR A 21 11.141 -8.433 1.206 1.00 0.05 C ATOM 324 CG TYR A 21 10.222 -9.491 1.767 1.00 0.07 C ATOM 325 CD1 TYR A 21 9.670 -10.470 0.951 1.00 0.05 C ATOM 326 CD2 TYR A 21 9.921 -9.520 3.119 1.00 0.15 C ATOM 327 CE1 TYR A 21 8.846 -11.445 1.474 1.00 0.08 C ATOM 328 CE2 TYR A 21 9.098 -10.494 3.645 1.00 0.17 C ATOM 329 CZ TYR A 21 8.565 -11.453 2.823 1.00 0.12 C ATOM 330 OH TYR A 21 7.745 -12.427 3.351 1.00 0.15 O ATOM 0 H TYR A 21 13.518 -8.640 2.854 1.00 0.07 H new ATOM 0 HA TYR A 21 12.553 -9.784 0.321 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.153 -7.575 1.878 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.746 -8.084 0.252 1.00 0.05 H new ATOM 0 HD1 TYR A 21 9.889 -10.468 -0.107 1.00 0.05 H new ATOM 0 HD2 TYR A 21 10.338 -8.767 3.772 1.00 0.15 H new ATOM 0 HE1 TYR A 21 8.422 -12.200 0.828 1.00 0.08 H new ATOM 0 HE2 TYR A 21 8.874 -10.501 4.702 1.00 0.17 H new ATOM 0 HH TYR A 21 7.651 -12.288 4.317 1.00 0.15 H new ATOM 340 N THR A 22 13.867 -8.038 -0.841 1.00 0.19 N ATOM 341 CA THR A 22 14.685 -7.064 -1.539 1.00 0.20 C ATOM 342 C THR A 22 13.813 -6.132 -2.374 1.00 0.21 C ATOM 343 O THR A 22 13.152 -6.563 -3.317 1.00 0.38 O ATOM 344 CB THR A 22 15.704 -7.768 -2.452 1.00 0.25 C ATOM 345 OG1 THR A 22 15.975 -9.085 -1.949 1.00 0.19 O ATOM 346 CG2 THR A 22 16.999 -6.977 -2.526 1.00 0.32 C ATOM 0 H THR A 22 13.662 -8.878 -1.382 1.00 0.19 H new ATOM 0 HA THR A 22 15.221 -6.478 -0.792 1.00 0.20 H new ATOM 0 HB THR A 22 15.280 -7.836 -3.454 1.00 0.25 H new ATOM 0 HG1 THR A 22 16.623 -9.531 -2.533 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.704 -7.494 -3.177 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.796 -5.984 -2.927 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.427 -6.885 -1.528 1.00 0.32 H new ATOM 354 N ILE A 23 13.802 -4.856 -2.011 1.00 0.16 N ATOM 355 CA ILE A 23 13.007 -3.865 -2.725 1.00 0.16 C ATOM 356 C ILE A 23 13.857 -2.648 -3.073 1.00 0.15 C ATOM 357 O ILE A 23 15.031 -2.584 -2.714 1.00 0.13 O ATOM 358 CB ILE A 23 11.777 -3.419 -1.904 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.198 -3.035 -0.481 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.724 -4.524 -1.883 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.065 -2.520 0.373 1.00 0.06 C ATOM 0 H ILE A 23 14.335 -4.483 -1.226 1.00 0.16 H new ATOM 0 HA ILE A 23 12.652 -4.335 -3.642 1.00 0.16 H new ATOM 0 HB ILE A 23 11.338 -2.541 -2.377 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.639 -3.905 0.004 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.975 -2.272 -0.536 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.863 -4.195 -1.301 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.409 -4.746 -2.903 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.147 -5.421 -1.431 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.442 -2.270 1.365 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.637 -1.630 -0.088 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.297 -3.288 0.460 1.00 0.06 H new ATOM 373 N VAL A 24 13.263 -1.687 -3.762 1.00 0.16 N ATOM 374 CA VAL A 24 13.975 -0.482 -4.164 1.00 0.15 C ATOM 375 C VAL A 24 13.727 0.656 -3.177 1.00 0.15 C ATOM 376 O VAL A 24 12.580 0.967 -2.854 1.00 0.15 O ATOM 377 CB VAL A 24 13.555 -0.029 -5.583 1.00 0.17 C ATOM 378 CG1 VAL A 24 14.247 1.271 -5.974 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.856 -1.118 -6.602 1.00 0.18 C ATOM 0 H VAL A 24 12.287 -1.717 -4.056 1.00 0.16 H new ATOM 0 HA VAL A 24 15.038 -0.725 -4.171 1.00 0.15 H new ATOM 0 HB VAL A 24 12.480 0.152 -5.572 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.932 1.564 -6.976 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.977 2.054 -5.265 1.00 0.17 H new ATOM 0 HG13 VAL A 24 15.327 1.126 -5.961 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.554 -0.782 -7.594 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.925 -1.332 -6.601 1.00 0.18 H new ATOM 0 HG23 VAL A 24 13.305 -2.022 -6.342 1.00 0.18 H new ATOM 389 N GLY A 25 14.806 1.270 -2.703 1.00 0.14 N ATOM 390 CA GLY A 25 14.691 2.368 -1.765 1.00 0.13 C ATOM 391 C GLY A 25 15.420 3.600 -2.259 1.00 0.11 C ATOM 392 O GLY A 25 16.576 3.829 -1.907 1.00 0.08 O ATOM 0 H GLY A 25 15.763 1.024 -2.955 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.639 2.605 -1.608 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.097 2.067 -0.799 1.00 0.13 H new ATOM 396 N ALA A 26 14.739 4.398 -3.072 1.00 0.15 N ATOM 397 CA ALA A 26 15.335 5.603 -3.640 1.00 0.17 C ATOM 398 C ALA A 26 14.840 6.872 -2.952 1.00 0.12 C ATOM 399 O ALA A 26 15.094 7.982 -3.428 1.00 0.19 O ATOM 400 CB ALA A 26 15.045 5.670 -5.131 1.00 0.27 C ATOM 0 H ALA A 26 13.773 4.233 -3.354 1.00 0.15 H new ATOM 0 HA ALA A 26 16.411 5.545 -3.476 1.00 0.17 H new ATOM 0 HB1 ALA A 26 15.493 6.572 -5.549 1.00 0.27 H new ATOM 0 HB2 ALA A 26 15.467 4.794 -5.623 1.00 0.27 H new ATOM 0 HB3 ALA A 26 13.967 5.692 -5.291 1.00 0.27 H new ATOM 406 N GLU A 27 14.136 6.719 -1.839 1.00 0.11 N ATOM 407 CA GLU A 27 13.627 7.874 -1.117 1.00 0.05 C ATOM 408 C GLU A 27 14.514 8.181 0.101 1.00 0.10 C ATOM 409 O GLU A 27 15.439 8.985 -0.002 1.00 0.20 O ATOM 410 CB GLU A 27 12.148 7.668 -0.742 1.00 0.11 C ATOM 411 CG GLU A 27 11.516 8.860 -0.038 1.00 0.78 C ATOM 412 CD GLU A 27 11.140 8.551 1.392 1.00 1.22 C ATOM 413 OE1 GLU A 27 10.599 7.456 1.643 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 11.393 9.396 2.277 1.00 1.46 O ATOM 0 H GLU A 27 13.907 5.817 -1.421 1.00 0.11 H new ATOM 0 HA GLU A 27 13.668 8.750 -1.765 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.581 7.451 -1.647 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.066 6.793 -0.097 1.00 0.11 H new ATOM 0 HG2 GLU A 27 12.212 9.699 -0.055 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.627 9.172 -0.585 1.00 0.78 H new ATOM 421 N SER A 28 14.268 7.531 1.237 1.00 0.11 N ATOM 422 CA SER A 28 15.068 7.763 2.434 1.00 0.17 C ATOM 423 C SER A 28 15.328 6.444 3.163 1.00 0.18 C ATOM 424 O SER A 28 14.386 5.717 3.491 1.00 0.15 O ATOM 425 CB SER A 28 14.363 8.755 3.365 1.00 0.18 C ATOM 426 OG SER A 28 13.932 9.912 2.664 1.00 0.26 O ATOM 0 H SER A 28 13.524 6.843 1.352 1.00 0.11 H new ATOM 0 HA SER A 28 16.025 8.190 2.133 1.00 0.17 H new ATOM 0 HB2 SER A 28 13.505 8.271 3.832 1.00 0.18 H new ATOM 0 HB3 SER A 28 15.040 9.046 4.168 1.00 0.18 H new ATOM 0 HG SER A 28 12.953 9.951 2.667 1.00 0.26 H new ATOM 432 N PRO A 29 16.610 6.116 3.413 1.00 0.23 N ATOM 433 CA PRO A 29 17.016 4.875 4.096 1.00 0.26 C ATOM 434 C PRO A 29 16.254 4.598 5.395 1.00 0.28 C ATOM 435 O PRO A 29 15.813 3.474 5.632 1.00 0.34 O ATOM 436 CB PRO A 29 18.498 5.107 4.392 1.00 0.31 C ATOM 437 CG PRO A 29 18.951 6.037 3.324 1.00 0.31 C ATOM 438 CD PRO A 29 17.780 6.935 3.031 1.00 0.25 C ATOM 0 HA PRO A 29 16.806 4.004 3.476 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.642 5.540 5.382 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.058 4.172 4.368 1.00 0.31 H new ATOM 0 HG2 PRO A 29 19.814 6.616 3.652 1.00 0.31 H new ATOM 0 HG3 PRO A 29 19.255 5.489 2.432 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.829 7.858 3.608 1.00 0.25 H new ATOM 0 HD3 PRO A 29 17.745 7.218 1.979 1.00 0.25 H new ATOM 446 N ALA A 30 16.095 5.616 6.231 1.00 0.27 N ATOM 447 CA ALA A 30 15.389 5.453 7.498 1.00 0.30 C ATOM 448 C ALA A 30 13.890 5.282 7.278 1.00 0.18 C ATOM 449 O ALA A 30 13.231 4.507 7.973 1.00 0.15 O ATOM 450 CB ALA A 30 15.654 6.644 8.409 1.00 0.41 C ATOM 0 H ALA A 30 16.443 6.559 6.057 1.00 0.27 H new ATOM 0 HA ALA A 30 15.765 4.549 7.977 1.00 0.30 H new ATOM 0 HB1 ALA A 30 15.121 6.508 9.350 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.723 6.721 8.606 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.308 7.557 7.924 1.00 0.41 H new ATOM 456 N HIS A 31 13.364 5.985 6.283 1.00 0.13 N ATOM 457 CA HIS A 31 11.939 5.936 5.973 1.00 0.10 C ATOM 458 C HIS A 31 11.548 4.579 5.390 1.00 0.09 C ATOM 459 O HIS A 31 10.539 4.000 5.783 1.00 0.19 O ATOM 460 CB HIS A 31 11.577 7.061 5.002 1.00 0.21 C ATOM 461 CG HIS A 31 10.138 7.480 5.049 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.373 7.664 3.921 1.00 0.28 N ATOM 463 CD2 HIS A 31 9.338 7.791 6.095 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.168 8.072 4.267 1.00 0.41 C ATOM 465 NE2 HIS A 31 8.115 8.159 5.584 1.00 0.32 N ATOM 0 H HIS A 31 13.905 6.599 5.674 1.00 0.13 H new ATOM 0 HA HIS A 31 11.381 6.073 6.899 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.202 7.927 5.219 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.817 6.741 3.988 1.00 0.21 H new ATOM 0 HD1 HIS A 31 9.689 7.509 2.964 1.00 0.28 H new ATOM 0 HD2 HIS A 31 9.610 7.757 7.140 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.359 8.297 3.587 1.00 0.41 H new ATOM 474 N ILE A 32 12.362 4.065 4.469 1.00 0.08 N ATOM 475 CA ILE A 32 12.089 2.769 3.840 1.00 0.20 C ATOM 476 C ILE A 32 12.231 1.633 4.850 1.00 0.27 C ATOM 477 O ILE A 32 11.672 0.550 4.676 1.00 0.36 O ATOM 478 CB ILE A 32 13.006 2.507 2.617 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.477 2.386 3.052 1.00 0.25 C ATOM 480 CG2 ILE A 32 12.823 3.614 1.582 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.448 2.141 1.917 1.00 0.30 C ATOM 0 H ILE A 32 13.213 4.522 4.141 1.00 0.08 H new ATOM 0 HA ILE A 32 11.060 2.803 3.483 1.00 0.20 H new ATOM 0 HB ILE A 32 12.721 1.559 2.160 1.00 0.23 H new ATOM 0 HG12 ILE A 32 14.766 3.300 3.570 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.565 1.571 3.771 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.470 3.423 0.726 1.00 0.18 H new ATOM 0 HG22 ILE A 32 11.784 3.636 1.253 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.084 4.574 2.027 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.461 2.069 2.314 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.189 1.211 1.411 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.394 2.967 1.207 1.00 0.30 H new ATOM 493 N ARG A 33 12.967 1.897 5.923 1.00 0.25 N ATOM 494 CA ARG A 33 13.168 0.910 6.973 1.00 0.32 C ATOM 495 C ARG A 33 11.918 0.827 7.842 1.00 0.34 C ATOM 496 O ARG A 33 11.661 -0.183 8.499 1.00 0.57 O ATOM 497 CB ARG A 33 14.382 1.279 7.831 1.00 0.34 C ATOM 498 CG ARG A 33 15.169 0.074 8.317 1.00 0.38 C ATOM 499 CD ARG A 33 16.088 -0.464 7.229 1.00 0.37 C ATOM 500 NE ARG A 33 16.587 -1.800 7.542 1.00 0.36 N ATOM 501 CZ ARG A 33 17.374 -2.515 6.735 1.00 0.68 C ATOM 502 NH1 ARG A 33 17.828 -1.990 5.603 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 17.730 -3.746 7.077 1.00 0.84 N ATOM 0 H ARG A 33 13.435 2.788 6.088 1.00 0.25 H new ATOM 0 HA ARG A 33 13.354 -0.061 6.514 1.00 0.32 H new ATOM 0 HB2 ARG A 33 15.042 1.925 7.253 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.046 1.855 8.693 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.760 0.351 9.190 1.00 0.38 H new ATOM 0 HG3 ARG A 33 14.480 -0.709 8.634 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.550 -0.491 6.281 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.930 0.215 7.098 1.00 0.37 H new ATOM 0 HE ARG A 33 16.317 -2.213 8.434 1.00 0.36 H new ATOM 0 HH11 ARG A 33 17.576 -1.036 5.346 1.00 1.01 H new ATOM 0 HH12 ARG A 33 18.429 -2.541 4.990 1.00 1.01 H new ATOM 0 HH21 ARG A 33 17.402 -4.146 7.956 1.00 0.84 H new ATOM 0 HH22 ARG A 33 18.331 -4.293 6.461 1.00 0.84 H new ATOM 517 N LEU A 34 11.138 1.900 7.821 1.00 0.14 N ATOM 518 CA LEU A 34 9.906 1.985 8.596 1.00 0.15 C ATOM 519 C LEU A 34 8.762 1.283 7.866 1.00 0.16 C ATOM 520 O LEU A 34 7.827 0.780 8.490 1.00 0.17 O ATOM 521 CB LEU A 34 9.546 3.453 8.842 1.00 0.13 C ATOM 522 CG LEU A 34 8.427 3.693 9.855 1.00 0.07 C ATOM 523 CD1 LEU A 34 8.981 3.693 11.271 1.00 0.12 C ATOM 524 CD2 LEU A 34 7.713 5.002 9.556 1.00 0.04 C ATOM 0 H LEU A 34 11.340 2.733 7.269 1.00 0.14 H new ATOM 0 HA LEU A 34 10.063 1.488 9.553 1.00 0.15 H new ATOM 0 HB2 LEU A 34 10.439 3.976 9.182 1.00 0.13 H new ATOM 0 HB3 LEU A 34 9.256 3.902 7.892 1.00 0.13 H new ATOM 0 HG LEU A 34 7.704 2.882 9.772 1.00 0.07 H new ATOM 0 HD11 LEU A 34 8.170 3.865 11.979 1.00 0.12 H new ATOM 0 HD12 LEU A 34 9.446 2.730 11.480 1.00 0.12 H new ATOM 0 HD13 LEU A 34 9.724 4.484 11.371 1.00 0.12 H new ATOM 0 HD21 LEU A 34 6.919 5.158 10.286 1.00 0.04 H new ATOM 0 HD22 LEU A 34 8.425 5.826 9.612 1.00 0.04 H new ATOM 0 HD23 LEU A 34 7.283 4.961 8.555 1.00 0.04 H new ATOM 536 N VAL A 35 8.855 1.248 6.541 1.00 0.16 N ATOM 537 CA VAL A 35 7.838 0.613 5.707 1.00 0.16 C ATOM 538 C VAL A 35 7.665 -0.855 6.086 1.00 0.13 C ATOM 539 O VAL A 35 6.545 -1.356 6.193 1.00 0.12 O ATOM 540 CB VAL A 35 8.205 0.698 4.209 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.078 0.144 3.354 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.531 2.129 3.805 1.00 0.25 C ATOM 0 H VAL A 35 9.630 1.655 6.017 1.00 0.16 H new ATOM 0 HA VAL A 35 6.905 1.150 5.878 1.00 0.16 H new ATOM 0 HB VAL A 35 9.096 0.092 4.044 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.353 0.211 2.301 1.00 0.18 H new ATOM 0 HG12 VAL A 35 6.901 -0.899 3.617 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.170 0.722 3.530 1.00 0.18 H new ATOM 0 HG21 VAL A 35 8.786 2.159 2.746 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.665 2.765 3.988 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.376 2.489 4.392 1.00 0.25 H new ATOM 552 N ALA A 36 8.786 -1.527 6.303 1.00 0.14 N ATOM 553 CA ALA A 36 8.779 -2.936 6.672 1.00 0.15 C ATOM 554 C ALA A 36 7.980 -3.174 7.949 1.00 0.12 C ATOM 555 O ALA A 36 7.193 -4.113 8.030 1.00 0.11 O ATOM 556 CB ALA A 36 10.203 -3.432 6.840 1.00 0.18 C ATOM 0 H ALA A 36 9.717 -1.117 6.230 1.00 0.14 H new ATOM 0 HA ALA A 36 8.295 -3.495 5.871 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.191 -4.486 7.116 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.744 -3.309 5.902 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.698 -2.858 7.623 1.00 0.18 H new ATOM 562 N ALA A 37 8.171 -2.303 8.931 1.00 0.13 N ATOM 563 CA ALA A 37 7.479 -2.421 10.206 1.00 0.11 C ATOM 564 C ALA A 37 5.978 -2.192 10.047 1.00 0.14 C ATOM 565 O ALA A 37 5.170 -2.837 10.713 1.00 0.20 O ATOM 566 CB ALA A 37 8.062 -1.442 11.212 1.00 0.13 C ATOM 0 H ALA A 37 8.802 -1.504 8.868 1.00 0.13 H new ATOM 0 HA ALA A 37 7.623 -3.436 10.575 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.536 -1.540 12.162 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.120 -1.658 11.359 1.00 0.13 H new ATOM 0 HB3 ALA A 37 7.948 -0.425 10.838 1.00 0.13 H new ATOM 572 N PHE A 38 5.614 -1.280 9.151 1.00 0.15 N ATOM 573 CA PHE A 38 4.212 -0.967 8.905 1.00 0.21 C ATOM 574 C PHE A 38 3.485 -2.175 8.318 1.00 0.21 C ATOM 575 O PHE A 38 2.383 -2.523 8.746 1.00 0.28 O ATOM 576 CB PHE A 38 4.093 0.228 7.955 1.00 0.26 C ATOM 577 CG PHE A 38 2.737 0.877 7.965 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.441 1.867 8.887 1.00 0.41 C ATOM 579 CD2 PHE A 38 1.766 0.502 7.051 1.00 0.35 C ATOM 580 CE1 PHE A 38 1.199 2.470 8.900 1.00 0.50 C ATOM 581 CE2 PHE A 38 0.521 1.102 7.059 1.00 0.43 C ATOM 582 CZ PHE A 38 0.238 2.088 7.984 1.00 0.50 C ATOM 0 H PHE A 38 6.271 -0.745 8.583 1.00 0.15 H new ATOM 0 HA PHE A 38 3.747 -0.710 9.857 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.843 0.971 8.225 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.321 -0.101 6.941 1.00 0.26 H new ATOM 0 HD1 PHE A 38 3.190 2.171 9.604 1.00 0.41 H new ATOM 0 HD2 PHE A 38 1.984 -0.267 6.325 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.979 3.239 9.625 1.00 0.50 H new ATOM 0 HE2 PHE A 38 -0.229 0.800 6.343 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.733 2.560 7.991 1.00 0.50 H new ATOM 592 N VAL A 39 4.118 -2.816 7.343 1.00 0.16 N ATOM 593 CA VAL A 39 3.534 -3.985 6.696 1.00 0.17 C ATOM 594 C VAL A 39 3.522 -5.177 7.647 1.00 0.16 C ATOM 595 O VAL A 39 2.521 -5.888 7.751 1.00 0.18 O ATOM 596 CB VAL A 39 4.298 -4.355 5.407 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.653 -5.550 4.716 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.354 -3.160 4.470 1.00 0.15 C ATOM 0 H VAL A 39 5.034 -2.547 6.983 1.00 0.16 H new ATOM 0 HA VAL A 39 2.508 -3.731 6.428 1.00 0.17 H new ATOM 0 HB VAL A 39 5.316 -4.634 5.678 1.00 0.15 H new ATOM 0 HG11 VAL A 39 4.210 -5.791 3.810 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.664 -6.408 5.388 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.623 -5.307 4.455 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.895 -3.433 3.564 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.341 -2.854 4.209 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.866 -2.334 4.964 1.00 0.15 H new ATOM 608 N ASP A 40 4.633 -5.376 8.352 1.00 0.12 N ATOM 609 CA ASP A 40 4.758 -6.475 9.308 1.00 0.11 C ATOM 610 C ASP A 40 3.659 -6.397 10.361 1.00 0.12 C ATOM 611 O ASP A 40 3.113 -7.417 10.788 1.00 0.13 O ATOM 612 CB ASP A 40 6.135 -6.438 9.979 1.00 0.09 C ATOM 613 CG ASP A 40 6.343 -7.564 10.972 1.00 0.09 C ATOM 614 OD1 ASP A 40 5.915 -7.419 12.137 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.950 -8.592 10.601 1.00 1.14 O1- ATOM 0 H ASP A 40 5.463 -4.788 8.279 1.00 0.12 H new ATOM 0 HA ASP A 40 4.653 -7.416 8.768 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.908 -6.491 9.212 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.258 -5.483 10.490 1.00 0.09 H new ATOM 620 N ASP A 41 3.334 -5.174 10.763 1.00 0.12 N ATOM 621 CA ASP A 41 2.300 -4.933 11.760 1.00 0.13 C ATOM 622 C ASP A 41 0.928 -5.321 11.222 1.00 0.09 C ATOM 623 O ASP A 41 0.175 -6.051 11.869 1.00 0.07 O ATOM 624 CB ASP A 41 2.297 -3.458 12.160 1.00 0.16 C ATOM 625 CG ASP A 41 1.439 -3.187 13.375 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.968 -3.269 14.507 1.00 0.22 O ATOM 627 OD2 ASP A 41 0.241 -2.868 13.207 1.00 0.12 O1- ATOM 0 H ASP A 41 3.777 -4.326 10.409 1.00 0.12 H new ATOM 0 HA ASP A 41 2.517 -5.547 12.634 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.319 -3.138 12.363 1.00 0.16 H new ATOM 0 HB3 ASP A 41 1.936 -2.859 11.324 1.00 0.16 H new ATOM 632 N LYS A 42 0.618 -4.837 10.025 1.00 0.10 N ATOM 633 CA LYS A 42 -0.660 -5.120 9.385 1.00 0.11 C ATOM 634 C LYS A 42 -0.855 -6.620 9.178 1.00 0.03 C ATOM 635 O LYS A 42 -1.938 -7.155 9.423 1.00 0.07 O ATOM 636 CB LYS A 42 -0.756 -4.394 8.041 1.00 0.19 C ATOM 637 CG LYS A 42 -1.092 -2.914 8.163 1.00 0.26 C ATOM 638 CD LYS A 42 -2.441 -2.592 7.535 1.00 0.28 C ATOM 639 CE LYS A 42 -3.591 -3.227 8.305 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.929 -2.474 9.543 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.239 -4.243 9.476 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.449 -4.759 10.045 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.192 -4.499 7.514 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -1.516 -4.880 7.430 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -1.102 -2.628 9.215 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -0.314 -2.323 7.679 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -2.578 -1.511 7.503 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.455 -2.945 6.504 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -4.470 -3.278 7.663 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -3.327 -4.252 8.567 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -4.595 -3.030 10.117 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -3.062 -2.300 10.091 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -4.366 -1.565 9.288 1.00 0.38 H new ATOM 654 N MET A 43 0.202 -7.293 8.748 1.00 0.07 N ATOM 655 CA MET A 43 0.149 -8.732 8.500 1.00 0.12 C ATOM 656 C MET A 43 0.068 -9.529 9.799 1.00 0.16 C ATOM 657 O MET A 43 -0.172 -10.731 9.774 1.00 0.35 O ATOM 658 CB MET A 43 1.376 -9.181 7.706 1.00 0.18 C ATOM 659 CG MET A 43 1.335 -8.789 6.240 1.00 0.16 C ATOM 660 SD MET A 43 2.679 -9.524 5.294 1.00 0.26 S ATOM 661 CE MET A 43 2.254 -11.263 5.385 1.00 0.29 C ATOM 0 H MET A 43 1.110 -6.867 8.562 1.00 0.07 H new ATOM 0 HA MET A 43 -0.755 -8.926 7.923 1.00 0.12 H new ATOM 0 HB2 MET A 43 2.269 -8.753 8.162 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.469 -10.265 7.780 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.382 -9.097 5.811 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.386 -7.703 6.156 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.699 -11.791 4.542 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.633 -11.682 6.317 1.00 0.29 H new ATOM 0 HE3 MET A 43 1.170 -11.375 5.352 1.00 0.29 H new ATOM 671 N HIS A 44 0.263 -8.864 10.928 1.00 0.02 N ATOM 672 CA HIS A 44 0.220 -9.535 12.220 1.00 0.04 C ATOM 673 C HIS A 44 -1.149 -9.399 12.886 1.00 0.05 C ATOM 674 O HIS A 44 -1.488 -10.177 13.778 1.00 0.20 O ATOM 675 CB HIS A 44 1.311 -8.981 13.143 1.00 0.08 C ATOM 676 CG HIS A 44 2.532 -9.845 13.211 1.00 0.11 C ATOM 677 ND1 HIS A 44 3.748 -9.491 12.660 1.00 0.27 N ATOM 678 CD2 HIS A 44 2.721 -11.062 13.771 1.00 0.29 C ATOM 679 CE1 HIS A 44 4.627 -10.453 12.878 1.00 0.38 C ATOM 680 NE2 HIS A 44 4.028 -11.418 13.547 1.00 0.40 N ATOM 0 H HIS A 44 0.452 -7.863 10.977 1.00 0.02 H new ATOM 0 HA HIS A 44 0.400 -10.596 12.044 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.598 -7.988 12.798 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.902 -8.864 14.147 1.00 0.08 H new ATOM 0 HD1 HIS A 44 3.938 -8.621 12.162 1.00 0.27 H new ATOM 0 HD2 HIS A 44 1.980 -11.646 14.297 1.00 0.29 H new ATOM 0 HE1 HIS A 44 5.660 -10.449 12.562 1.00 0.38 H new ATOM 689 N GLU A 45 -1.938 -8.423 12.453 1.00 0.16 N ATOM 690 CA GLU A 45 -3.262 -8.214 13.037 1.00 0.15 C ATOM 691 C GLU A 45 -4.364 -8.863 12.197 1.00 0.15 C ATOM 692 O GLU A 45 -5.338 -9.388 12.739 1.00 0.17 O ATOM 693 CB GLU A 45 -3.555 -6.717 13.221 1.00 0.12 C ATOM 694 CG GLU A 45 -3.299 -5.871 11.978 1.00 0.09 C ATOM 695 CD GLU A 45 -4.034 -4.547 11.998 1.00 0.12 C ATOM 696 OE1 GLU A 45 -3.633 -3.644 12.761 1.00 0.16 O ATOM 697 OE2 GLU A 45 -5.007 -4.391 11.225 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.691 -7.770 11.709 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.256 -8.695 14.015 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.596 -6.596 13.520 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.942 -6.336 14.038 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.229 -5.684 11.887 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -3.601 -6.434 11.095 1.00 0.09 H new ATOM 704 N PHE A 46 -4.195 -8.863 10.880 1.00 0.15 N ATOM 705 CA PHE A 46 -5.210 -9.426 9.991 1.00 0.14 C ATOM 706 C PHE A 46 -5.106 -10.943 9.893 1.00 0.16 C ATOM 707 O PHE A 46 -6.038 -11.610 9.439 1.00 0.17 O ATOM 708 CB PHE A 46 -5.120 -8.799 8.601 1.00 0.14 C ATOM 709 CG PHE A 46 -6.087 -7.666 8.400 1.00 0.15 C ATOM 710 CD1 PHE A 46 -7.440 -7.918 8.232 1.00 0.18 C ATOM 711 CD2 PHE A 46 -5.645 -6.354 8.380 1.00 0.13 C ATOM 712 CE1 PHE A 46 -8.335 -6.879 8.051 1.00 0.19 C ATOM 713 CE2 PHE A 46 -6.537 -5.312 8.199 1.00 0.14 C ATOM 714 CZ PHE A 46 -7.882 -5.575 8.032 1.00 0.17 C ATOM 0 H PHE A 46 -3.375 -8.484 10.406 1.00 0.15 H new ATOM 0 HA PHE A 46 -6.182 -9.189 10.424 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -4.105 -8.436 8.438 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -5.308 -9.566 7.850 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.799 -8.937 8.243 1.00 0.18 H new ATOM 0 HD2 PHE A 46 -4.594 -6.142 8.507 1.00 0.13 H new ATOM 0 HE1 PHE A 46 -9.387 -7.088 7.925 1.00 0.19 H new ATOM 0 HE2 PHE A 46 -6.181 -4.292 8.188 1.00 0.14 H new ATOM 0 HZ PHE A 46 -8.578 -4.762 7.887 1.00 0.17 H new ATOM 724 N SER A 47 -3.982 -11.490 10.328 1.00 0.21 N ATOM 725 CA SER A 47 -3.773 -12.930 10.289 1.00 0.23 C ATOM 726 C SER A 47 -4.699 -13.630 11.276 1.00 0.21 C ATOM 727 O SER A 47 -5.078 -14.787 11.082 1.00 0.32 O ATOM 728 CB SER A 47 -2.315 -13.243 10.617 1.00 0.25 C ATOM 729 OG SER A 47 -1.780 -12.269 11.498 1.00 0.76 O ATOM 0 H SER A 47 -3.200 -10.959 10.712 1.00 0.21 H new ATOM 0 HA SER A 47 -4.002 -13.296 9.288 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.243 -14.231 11.072 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.728 -13.272 9.699 1.00 0.25 H new ATOM 0 HG SER A 47 -1.203 -11.656 10.996 1.00 0.76 H new ATOM 735 N GLU A 48 -5.102 -12.895 12.303 1.00 0.09 N ATOM 736 CA GLU A 48 -5.971 -13.431 13.339 1.00 0.08 C ATOM 737 C GLU A 48 -7.419 -13.466 12.857 1.00 0.10 C ATOM 738 O GLU A 48 -8.279 -14.070 13.493 1.00 0.07 O ATOM 739 CB GLU A 48 -5.867 -12.593 14.617 1.00 0.11 C ATOM 740 CG GLU A 48 -4.439 -12.281 15.055 1.00 0.06 C ATOM 741 CD GLU A 48 -3.675 -13.499 15.526 1.00 0.28 C ATOM 742 OE1 GLU A 48 -3.186 -14.273 14.677 1.00 0.61 O ATOM 743 OE2 GLU A 48 -3.528 -13.667 16.752 1.00 0.49 O1- ATOM 0 H GLU A 48 -4.838 -11.919 12.440 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.648 -14.448 13.560 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -6.400 -11.655 14.465 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.374 -13.121 15.425 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -3.903 -11.825 14.223 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -4.466 -11.545 15.859 1.00 0.06 H new ATOM 750 N LYS A 49 -7.680 -12.808 11.729 1.00 0.14 N ATOM 751 CA LYS A 49 -9.021 -12.768 11.155 1.00 0.18 C ATOM 752 C LYS A 49 -9.335 -14.080 10.447 1.00 0.27 C ATOM 753 O LYS A 49 -10.480 -14.531 10.441 1.00 0.38 O ATOM 754 CB LYS A 49 -9.154 -11.602 10.171 1.00 0.12 C ATOM 755 CG LYS A 49 -9.158 -10.230 10.833 1.00 0.20 C ATOM 756 CD LYS A 49 -10.437 -9.995 11.623 1.00 0.43 C ATOM 757 CE LYS A 49 -10.657 -8.518 11.921 1.00 0.64 C ATOM 758 NZ LYS A 49 -9.661 -7.992 12.888 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.979 -12.295 11.195 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.733 -12.623 11.967 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.332 -11.647 9.457 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.076 -11.723 9.603 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.298 -10.143 11.497 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -9.052 -9.457 10.072 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -11.287 -10.383 11.061 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.393 -10.552 12.559 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -10.598 -7.948 10.994 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.661 -8.374 12.320 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -9.846 -6.984 13.063 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -9.734 -8.518 13.782 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -8.704 -8.105 12.497 1.00 0.88 H new ATOM 772 N GLN A 50 -8.299 -14.681 9.864 1.00 0.30 N ATOM 773 CA GLN A 50 -8.418 -15.951 9.143 1.00 0.41 C ATOM 774 C GLN A 50 -9.584 -15.939 8.146 1.00 0.29 C ATOM 775 O GLN A 50 -10.591 -16.610 8.359 1.00 0.47 O ATOM 776 CB GLN A 50 -8.599 -17.103 10.134 1.00 0.63 C ATOM 777 CG GLN A 50 -7.447 -17.252 11.113 1.00 0.78 C ATOM 778 CD GLN A 50 -7.886 -17.838 12.440 1.00 0.93 C ATOM 779 OE1 GLN A 50 -9.035 -17.676 12.858 1.00 0.94 O ATOM 780 NE2 GLN A 50 -6.971 -18.515 13.112 1.00 1.07 N ATOM 0 H GLN A 50 -7.352 -14.302 9.877 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.497 -16.092 8.577 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.522 -16.948 10.693 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.715 -18.034 9.579 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -6.681 -17.890 10.673 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -6.990 -16.277 11.283 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -6.033 -18.624 12.728 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -7.203 -18.929 14.015 1.00 1.07 H new ATOM 789 N PRO A 51 -9.470 -15.179 7.043 1.00 0.11 N ATOM 790 CA PRO A 51 -10.530 -15.101 6.036 1.00 0.09 C ATOM 791 C PRO A 51 -10.622 -16.381 5.212 1.00 0.05 C ATOM 792 O PRO A 51 -11.585 -17.140 5.324 1.00 0.20 O ATOM 793 CB PRO A 51 -10.117 -13.919 5.145 1.00 0.32 C ATOM 794 CG PRO A 51 -8.946 -13.281 5.823 1.00 0.44 C ATOM 795 CD PRO A 51 -8.323 -14.336 6.689 1.00 0.34 C ATOM 0 HA PRO A 51 -11.512 -14.971 6.491 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.851 -14.259 4.144 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -10.937 -13.210 5.033 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -8.230 -12.909 5.090 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -9.263 -12.427 6.421 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.557 -14.898 6.155 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.848 -13.907 7.571 1.00 0.34 H new ATOM 803 N MET A 52 -9.596 -16.628 4.406 1.00 0.10 N ATOM 804 CA MET A 52 -9.556 -17.818 3.562 1.00 0.14 C ATOM 805 C MET A 52 -8.688 -18.889 4.207 1.00 0.14 C ATOM 806 O MET A 52 -8.498 -19.968 3.648 1.00 0.16 O ATOM 807 CB MET A 52 -9.003 -17.479 2.173 1.00 0.25 C ATOM 808 CG MET A 52 -9.615 -16.231 1.549 1.00 0.17 C ATOM 809 SD MET A 52 -11.411 -16.314 1.420 1.00 0.22 S ATOM 810 CE MET A 52 -11.614 -17.657 0.254 1.00 1.11 C ATOM 0 H MET A 52 -8.781 -16.021 4.319 1.00 0.10 H new ATOM 0 HA MET A 52 -10.574 -18.193 3.454 1.00 0.14 H new ATOM 0 HB2 MET A 52 -7.924 -17.344 2.246 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.174 -18.326 1.509 1.00 0.25 H new ATOM 0 HG2 MET A 52 -9.339 -15.361 2.145 1.00 0.17 H new ATOM 0 HG3 MET A 52 -9.192 -16.084 0.555 1.00 0.17 H new ATOM 0 HE1 MET A 52 -12.652 -17.699 -0.075 1.00 1.11 H new ATOM 0 HE2 MET A 52 -10.967 -17.492 -0.607 1.00 1.11 H new ATOM 0 HE3 MET A 52 -11.347 -18.599 0.733 1.00 1.11 H new ATOM 820 N LEU A 53 -8.165 -18.570 5.394 1.00 0.15 N ATOM 821 CA LEU A 53 -7.301 -19.484 6.146 1.00 0.17 C ATOM 822 C LEU A 53 -6.109 -19.924 5.301 1.00 0.20 C ATOM 823 O LEU A 53 -5.710 -21.089 5.316 1.00 0.41 O ATOM 824 CB LEU A 53 -8.098 -20.697 6.633 1.00 0.19 C ATOM 825 CG LEU A 53 -8.998 -20.429 7.840 1.00 0.36 C ATOM 826 CD1 LEU A 53 -10.274 -21.251 7.756 1.00 0.31 C ATOM 827 CD2 LEU A 53 -8.252 -20.730 9.130 1.00 0.51 C ATOM 0 H LEU A 53 -8.327 -17.677 5.859 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.918 -18.952 7.017 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.714 -21.063 5.812 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.400 -21.495 6.888 1.00 0.19 H new ATOM 0 HG LEU A 53 -9.275 -19.375 7.835 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.898 -21.044 8.625 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.817 -20.988 6.848 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -10.023 -22.311 7.734 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -8.904 -20.535 9.981 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -7.947 -21.777 9.138 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -7.369 -20.095 9.196 1.00 0.51 H new ATOM 839 N ASP A 54 -5.541 -18.972 4.574 1.00 0.04 N ATOM 840 CA ASP A 54 -4.403 -19.233 3.708 1.00 0.08 C ATOM 841 C ASP A 54 -3.368 -18.127 3.881 1.00 0.06 C ATOM 842 O ASP A 54 -3.728 -16.968 4.089 1.00 0.07 O ATOM 843 CB ASP A 54 -4.863 -19.327 2.252 1.00 0.12 C ATOM 844 CG ASP A 54 -3.752 -19.726 1.304 1.00 0.14 C ATOM 845 OD1 ASP A 54 -2.836 -20.461 1.724 1.00 0.47 O1- ATOM 846 OD2 ASP A 54 -3.788 -19.303 0.132 1.00 0.21 O ATOM 0 H ASP A 54 -5.855 -18.002 4.569 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.947 -20.184 3.982 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.673 -20.053 2.179 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.269 -18.364 1.942 1.00 0.12 H new ATOM 851 N VAL A 55 -2.095 -18.487 3.795 1.00 0.06 N ATOM 852 CA VAL A 55 -0.995 -17.537 3.981 1.00 0.07 C ATOM 853 C VAL A 55 -0.936 -16.451 2.891 1.00 0.06 C ATOM 854 O VAL A 55 -1.023 -15.264 3.209 1.00 0.06 O ATOM 855 CB VAL A 55 0.370 -18.259 4.080 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.474 -17.284 4.463 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.306 -19.405 5.079 1.00 0.13 C ATOM 0 H VAL A 55 -1.791 -19.440 3.595 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.203 -17.035 4.926 1.00 0.07 H new ATOM 0 HB VAL A 55 0.601 -18.671 3.098 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.423 -17.816 4.526 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.546 -16.501 3.708 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.244 -16.836 5.430 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.277 -19.897 5.131 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.043 -19.016 6.063 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.448 -20.124 4.760 1.00 0.13 H new ATOM 867 N PRO A 56 -0.790 -16.808 1.594 1.00 0.05 N ATOM 868 CA PRO A 56 -0.712 -15.805 0.521 1.00 0.04 C ATOM 869 C PRO A 56 -1.963 -14.930 0.427 1.00 0.04 C ATOM 870 O PRO A 56 -1.886 -13.769 0.024 1.00 0.04 O ATOM 871 CB PRO A 56 -0.538 -16.634 -0.755 1.00 0.05 C ATOM 872 CG PRO A 56 -0.984 -18.008 -0.399 1.00 0.06 C ATOM 873 CD PRO A 56 -0.685 -18.180 1.063 1.00 0.06 C ATOM 0 HA PRO A 56 0.103 -15.104 0.699 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.134 -16.227 -1.572 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.500 -16.632 -1.086 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.048 -18.135 -0.596 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.458 -18.754 -0.994 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.396 -18.853 1.543 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.308 -18.599 1.224 1.00 0.06 H new ATOM 881 N LYS A 57 -3.107 -15.483 0.818 1.00 0.05 N ATOM 882 CA LYS A 57 -4.365 -14.742 0.770 1.00 0.05 C ATOM 883 C LYS A 57 -4.405 -13.687 1.868 1.00 0.06 C ATOM 884 O LYS A 57 -5.177 -12.733 1.802 1.00 0.08 O ATOM 885 CB LYS A 57 -5.567 -15.680 0.906 1.00 0.06 C ATOM 886 CG LYS A 57 -5.574 -16.837 -0.084 1.00 0.09 C ATOM 887 CD LYS A 57 -5.332 -16.376 -1.513 1.00 0.11 C ATOM 888 CE LYS A 57 -5.557 -17.508 -2.502 1.00 0.12 C ATOM 889 NZ LYS A 57 -4.611 -18.642 -2.294 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.190 -16.437 1.170 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.422 -14.250 -0.201 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.586 -16.083 1.918 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.481 -15.101 0.777 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -4.806 -17.558 0.198 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.532 -17.354 -0.029 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -5.999 -15.546 -1.748 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.313 -16.003 -1.610 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.581 -17.871 -2.408 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -5.446 -17.127 -3.517 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -4.909 -19.453 -2.873 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -3.653 -18.350 -2.573 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -4.611 -18.915 -1.290 1.00 0.10 H new ATOM 903 N LEU A 58 -3.567 -13.870 2.877 1.00 0.05 N ATOM 904 CA LEU A 58 -3.495 -12.937 3.991 1.00 0.06 C ATOM 905 C LEU A 58 -2.671 -11.714 3.595 1.00 0.06 C ATOM 906 O LEU A 58 -3.059 -10.577 3.864 1.00 0.08 O ATOM 907 CB LEU A 58 -2.887 -13.644 5.221 1.00 0.06 C ATOM 908 CG LEU A 58 -2.813 -12.843 6.536 1.00 0.11 C ATOM 909 CD1 LEU A 58 -1.553 -11.992 6.595 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.046 -11.974 6.734 1.00 0.17 C ATOM 0 H LEU A 58 -2.925 -14.659 2.947 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.498 -12.598 4.250 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.466 -14.548 5.410 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.877 -13.960 4.962 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.777 -13.569 7.349 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -1.531 -11.440 7.534 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -0.676 -12.636 6.532 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -1.549 -11.290 5.761 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -3.957 -11.425 7.671 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -4.131 -11.269 5.907 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -4.934 -12.605 6.766 1.00 0.17 H new ATOM 922 N ALA A 59 -1.546 -11.961 2.932 1.00 0.05 N ATOM 923 CA ALA A 59 -0.655 -10.891 2.497 1.00 0.06 C ATOM 924 C ALA A 59 -1.361 -9.934 1.538 1.00 0.08 C ATOM 925 O ALA A 59 -1.264 -8.713 1.681 1.00 0.11 O ATOM 926 CB ALA A 59 0.591 -11.475 1.848 1.00 0.06 C ATOM 0 H ALA A 59 -1.228 -12.898 2.683 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.359 -10.320 3.377 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.248 -10.666 1.528 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.115 -12.104 2.567 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.304 -12.073 0.983 1.00 0.06 H new ATOM 932 N VAL A 60 -2.081 -10.491 0.572 1.00 0.05 N ATOM 933 CA VAL A 60 -2.804 -9.674 -0.400 1.00 0.07 C ATOM 934 C VAL A 60 -3.952 -8.916 0.269 1.00 0.07 C ATOM 935 O VAL A 60 -4.319 -7.821 -0.160 1.00 0.08 O ATOM 936 CB VAL A 60 -3.344 -10.514 -1.585 1.00 0.07 C ATOM 937 CG1 VAL A 60 -4.430 -11.479 -1.135 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.865 -9.608 -2.693 1.00 0.08 C ATOM 0 H VAL A 60 -2.181 -11.497 0.439 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.088 -8.956 -0.800 1.00 0.07 H new ATOM 0 HB VAL A 60 -2.514 -11.103 -1.976 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.786 -12.052 -1.992 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -4.025 -12.160 -0.386 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -5.259 -10.918 -0.704 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -4.239 -10.217 -3.515 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.672 -8.986 -2.305 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -3.057 -8.971 -3.052 1.00 0.08 H new ATOM 948 N LEU A 61 -4.499 -9.493 1.337 1.00 0.07 N ATOM 949 CA LEU A 61 -5.591 -8.865 2.067 1.00 0.08 C ATOM 950 C LEU A 61 -5.113 -7.570 2.713 1.00 0.08 C ATOM 951 O LEU A 61 -5.795 -6.548 2.670 1.00 0.08 O ATOM 952 CB LEU A 61 -6.135 -9.811 3.138 1.00 0.10 C ATOM 953 CG LEU A 61 -7.380 -9.311 3.867 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.621 -9.527 3.016 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.519 -10.004 5.212 1.00 0.07 C ATOM 0 H LEU A 61 -4.202 -10.393 1.713 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.391 -8.638 1.363 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.365 -10.769 2.672 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.351 -9.994 3.873 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.273 -8.241 4.043 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.498 -9.164 3.553 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.518 -8.981 2.078 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.738 -10.590 2.806 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.411 -9.637 5.720 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.605 -11.080 5.060 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.641 -9.793 5.823 1.00 0.07 H new ATOM 967 N THR A 62 -3.935 -7.617 3.312 1.00 0.10 N ATOM 968 CA THR A 62 -3.373 -6.442 3.947 1.00 0.11 C ATOM 969 C THR A 62 -2.898 -5.444 2.899 1.00 0.10 C ATOM 970 O THR A 62 -2.948 -4.234 3.112 1.00 0.13 O ATOM 971 CB THR A 62 -2.210 -6.810 4.884 1.00 0.13 C ATOM 972 OG1 THR A 62 -1.451 -7.893 4.331 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.728 -7.209 6.254 1.00 0.15 C ATOM 0 H THR A 62 -3.353 -8.453 3.371 1.00 0.10 H new ATOM 0 HA THR A 62 -4.161 -5.985 4.546 1.00 0.11 H new ATOM 0 HB THR A 62 -1.571 -5.933 4.988 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.463 -7.835 3.353 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.888 -7.465 6.900 1.00 0.15 H new ATOM 0 HG22 THR A 62 -3.281 -6.377 6.690 1.00 0.15 H new ATOM 0 HG23 THR A 62 -3.387 -8.072 6.157 1.00 0.15 H new ATOM 981 N ALA A 63 -2.463 -5.965 1.756 1.00 0.08 N ATOM 982 CA ALA A 63 -1.980 -5.134 0.663 1.00 0.08 C ATOM 983 C ALA A 63 -3.087 -4.238 0.123 1.00 0.07 C ATOM 984 O ALA A 63 -2.893 -3.037 -0.063 1.00 0.08 O ATOM 985 CB ALA A 63 -1.425 -6.005 -0.456 1.00 0.08 C ATOM 0 H ALA A 63 -2.436 -6.966 1.564 1.00 0.08 H new ATOM 0 HA ALA A 63 -1.184 -4.498 1.051 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.067 -5.371 -1.267 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.600 -6.606 -0.074 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.210 -6.662 -0.829 1.00 0.08 H new ATOM 991 N VAL A 64 -4.256 -4.824 -0.106 1.00 0.07 N ATOM 992 CA VAL A 64 -5.385 -4.076 -0.635 1.00 0.08 C ATOM 993 C VAL A 64 -5.915 -3.070 0.389 1.00 0.09 C ATOM 994 O VAL A 64 -6.423 -2.010 0.017 1.00 0.12 O ATOM 995 CB VAL A 64 -6.517 -5.016 -1.117 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.236 -5.680 0.050 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.499 -4.265 -2.003 1.00 0.12 C ATOM 0 H VAL A 64 -4.445 -5.811 0.066 1.00 0.07 H new ATOM 0 HA VAL A 64 -5.024 -3.520 -1.500 1.00 0.08 H new ATOM 0 HB VAL A 64 -6.056 -5.808 -1.707 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -8.023 -6.331 -0.331 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.524 -6.270 0.628 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.676 -4.915 0.689 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.286 -4.944 -2.331 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.940 -3.442 -1.441 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.975 -3.870 -2.873 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.763 -3.386 1.674 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.223 -2.495 2.736 1.00 0.09 C ATOM 1009 C GLN A 65 -5.298 -1.287 2.846 1.00 0.07 C ATOM 1010 O GLN A 65 -5.751 -0.154 3.009 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.293 -3.239 4.075 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.281 -2.624 5.067 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.597 -2.028 6.284 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -5.444 -1.608 6.227 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -7.309 -1.987 7.397 1.00 0.31 N ATOM 0 H GLN A 65 -5.327 -4.248 2.003 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.226 -2.148 2.486 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -6.574 -4.276 3.891 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.300 -3.253 4.525 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.859 -1.848 4.564 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.987 -3.388 5.391 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -8.264 -2.346 7.405 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -6.904 -1.597 8.248 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.998 -1.537 2.739 1.00 0.02 N ATOM 1025 CA ILE A 66 -3.007 -0.471 2.801 1.00 0.03 C ATOM 1026 C ILE A 66 -3.182 0.468 1.610 1.00 0.05 C ATOM 1027 O ILE A 66 -3.140 1.692 1.747 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.562 -1.032 2.804 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.279 -1.771 4.116 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.552 0.092 2.593 1.00 0.71 C ATOM 1031 CD1 ILE A 66 -0.028 -2.625 4.083 1.00 1.29 C ATOM 0 H ILE A 66 -3.606 -2.470 2.609 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.163 0.072 3.733 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.464 -1.740 1.981 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -1.187 -1.041 4.920 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -2.133 -2.404 4.356 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.457 -0.320 2.598 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.742 0.576 1.635 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.649 0.824 3.395 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.103 -3.115 5.048 1.00 1.29 H new ATOM 0 HD12 ILE A 66 -0.123 -3.380 3.302 1.00 1.29 H new ATOM 0 HD13 ILE A 66 0.837 -1.995 3.875 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.408 -0.124 0.445 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.585 0.635 -0.782 1.00 0.05 C ATOM 1045 C ALA A 67 -4.807 1.551 -0.718 1.00 0.04 C ATOM 1046 O ALA A 67 -4.743 2.702 -1.137 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.697 -0.310 -1.967 1.00 0.06 C ATOM 0 H ALA A 67 -3.473 -1.135 0.326 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.708 1.271 -0.906 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.829 0.268 -2.882 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.788 -0.907 -2.043 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.554 -0.969 -1.827 1.00 0.06 H new ATOM 1053 N SER A 68 -5.911 1.048 -0.176 1.00 0.05 N ATOM 1054 CA SER A 68 -7.138 1.832 -0.092 1.00 0.07 C ATOM 1055 C SER A 68 -7.025 2.960 0.934 1.00 0.08 C ATOM 1056 O SER A 68 -7.319 4.118 0.624 1.00 0.12 O ATOM 1057 CB SER A 68 -8.331 0.927 0.234 1.00 0.07 C ATOM 1058 OG SER A 68 -7.955 -0.120 1.109 1.00 0.04 O ATOM 0 H SER A 68 -5.982 0.106 0.210 1.00 0.05 H new ATOM 0 HA SER A 68 -7.299 2.293 -1.067 1.00 0.07 H new ATOM 0 HB2 SER A 68 -9.125 1.518 0.690 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.735 0.507 -0.687 1.00 0.07 H new ATOM 0 HG SER A 68 -7.610 -0.874 0.587 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.566 2.631 2.139 1.00 0.08 N ATOM 1065 CA GLU A 69 -6.435 3.620 3.208 1.00 0.14 C ATOM 1066 C GLU A 69 -5.423 4.712 2.858 1.00 0.10 C ATOM 1067 O GLU A 69 -5.458 5.803 3.429 1.00 0.10 O ATOM 1068 CB GLU A 69 -6.051 2.939 4.523 1.00 0.19 C ATOM 1069 CG GLU A 69 -7.226 2.280 5.232 1.00 0.29 C ATOM 1070 CD GLU A 69 -8.226 3.286 5.770 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -8.039 3.764 6.912 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -9.205 3.605 5.066 1.00 0.82 O ATOM 0 H GLU A 69 -6.278 1.688 2.400 1.00 0.08 H new ATOM 0 HA GLU A 69 -7.406 4.101 3.326 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -5.289 2.186 4.324 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -5.603 3.678 5.188 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -7.731 1.607 4.540 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.853 1.670 6.055 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.518 4.422 1.933 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.524 5.402 1.516 1.00 0.04 C ATOM 1081 C TYR A 70 -3.994 6.156 0.274 1.00 0.03 C ATOM 1082 O TYR A 70 -3.629 7.315 0.061 1.00 0.04 O ATOM 1083 CB TYR A 70 -2.174 4.732 1.257 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.238 4.792 2.441 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.390 5.876 2.621 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -1.201 3.768 3.380 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.467 5.939 3.702 1.00 0.47 C ATOM 1088 CE2 TYR A 70 -0.347 3.823 4.463 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.485 4.912 4.621 1.00 0.44 C ATOM 1090 OH TYR A 70 1.333 4.974 5.702 1.00 0.58 O ATOM 0 H TYR A 70 -4.451 3.521 1.459 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.399 6.120 2.326 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.340 3.689 0.987 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.697 5.211 0.402 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.401 6.683 1.904 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -1.852 2.914 3.260 1.00 0.37 H new ATOM 0 HE1 TYR A 70 1.121 6.790 3.827 1.00 0.47 H new ATOM 0 HE2 TYR A 70 -0.330 3.018 5.183 1.00 0.46 H new ATOM 0 HH TYR A 70 1.220 4.171 6.253 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.822 5.504 -0.537 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.348 6.122 -1.755 1.00 0.11 C ATOM 1102 C LEU A 71 -6.296 7.263 -1.414 1.00 0.12 C ATOM 1103 O LEU A 71 -6.404 8.233 -2.163 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.064 5.093 -2.637 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.235 4.572 -3.826 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.812 3.274 -4.386 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.143 5.623 -4.929 1.00 0.23 C ATOM 0 H LEU A 71 -5.144 4.550 -0.375 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.501 6.521 -2.313 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.357 4.245 -2.017 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -6.982 5.540 -3.020 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.232 4.365 -3.454 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.202 2.936 -5.223 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -5.814 2.511 -3.607 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -6.833 3.447 -4.727 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.553 5.231 -5.757 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.145 5.869 -5.282 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.666 6.521 -4.537 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.991 7.131 -0.290 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.918 8.159 0.164 1.00 0.16 C ATOM 1121 C LYS A 72 -7.154 9.350 0.738 1.00 0.16 C ATOM 1122 O LYS A 72 -7.660 10.472 0.780 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.865 7.583 1.220 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.187 7.257 2.542 1.00 0.18 C ATOM 1125 CD LYS A 72 -8.916 6.157 3.300 1.00 0.22 C ATOM 1126 CE LYS A 72 -10.244 6.633 3.860 1.00 0.25 C ATOM 1127 NZ LYS A 72 -10.965 5.542 4.567 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.929 6.319 0.325 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.504 8.501 -0.689 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.669 8.296 1.401 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.326 6.677 0.826 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.158 6.948 2.356 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -8.144 8.155 3.158 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -9.086 5.310 2.635 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -8.286 5.800 4.115 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -10.073 7.461 4.547 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -10.865 7.014 3.049 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -11.898 5.402 4.129 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -10.415 4.662 4.499 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -11.087 5.798 5.568 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.924 9.098 1.169 1.00 0.03 N ATOM 1142 CA LEU A 73 -5.083 10.134 1.742 1.00 0.05 C ATOM 1143 C LEU A 73 -4.488 10.997 0.639 1.00 0.05 C ATOM 1144 O LEU A 73 -4.394 12.216 0.774 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.975 9.504 2.596 1.00 0.14 C ATOM 1146 CG LEU A 73 -3.081 10.490 3.352 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -3.895 11.302 4.350 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -1.954 9.750 4.059 1.00 0.24 C ATOM 0 H LEU A 73 -5.487 8.177 1.131 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.693 10.770 2.384 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.436 8.832 3.319 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.346 8.893 1.949 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.644 11.179 2.629 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -3.239 11.996 4.876 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -4.666 11.862 3.821 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -4.364 10.630 5.069 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -1.327 10.465 4.592 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -2.375 9.038 4.768 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -1.351 9.217 3.324 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.105 10.362 -0.464 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.529 11.086 -1.591 1.00 0.18 C ATOM 1162 C LYS A 74 -4.607 11.916 -2.283 1.00 0.21 C ATOM 1163 O LYS A 74 -4.309 12.912 -2.943 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.844 10.119 -2.570 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.646 9.807 -3.828 1.00 0.11 C ATOM 1166 CD LYS A 74 -2.854 8.930 -4.790 1.00 0.18 C ATOM 1167 CE LYS A 74 -3.501 8.877 -6.163 1.00 0.26 C ATOM 1168 NZ LYS A 74 -3.479 10.200 -6.841 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.182 9.354 -0.601 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.762 11.766 -1.220 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -1.884 10.542 -2.864 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.634 9.185 -2.049 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -4.573 9.304 -3.554 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -3.922 10.737 -4.325 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -1.838 9.315 -4.881 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -2.778 7.921 -4.384 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -2.981 8.145 -6.781 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -4.532 8.537 -6.065 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -3.623 10.069 -7.863 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -4.238 10.799 -6.458 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.560 10.659 -6.677 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.860 11.505 -2.109 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.987 12.220 -2.691 1.00 0.27 C ATOM 1184 C GLU A 75 -7.191 13.534 -1.943 1.00 0.23 C ATOM 1185 O GLU A 75 -7.621 14.535 -2.514 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.250 11.357 -2.620 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.444 11.945 -3.356 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.333 11.825 -4.863 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -8.206 11.679 -5.382 1.00 1.57 O1- ATOM 1190 OE2 GLU A 75 -10.379 11.878 -5.544 1.00 1.47 O ATOM 0 H GLU A 75 -6.119 10.679 -1.569 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.781 12.436 -3.739 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.029 10.373 -3.035 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.518 11.209 -1.574 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -10.352 11.442 -3.024 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.546 12.997 -3.088 1.00 0.51 H new ATOM 1197 N GLU A 76 -6.854 13.522 -0.658 1.00 0.13 N ATOM 1198 CA GLU A 76 -6.973 14.704 0.183 1.00 0.10 C ATOM 1199 C GLU A 76 -5.967 15.764 -0.261 1.00 0.05 C ATOM 1200 O GLU A 76 -6.210 16.966 -0.139 1.00 0.03 O ATOM 1201 CB GLU A 76 -6.733 14.329 1.647 1.00 0.10 C ATOM 1202 CG GLU A 76 -7.040 15.449 2.626 1.00 0.19 C ATOM 1203 CD GLU A 76 -8.517 15.779 2.693 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -9.237 15.136 3.488 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -8.966 16.683 1.959 1.00 0.59 O1- ATOM 0 H GLU A 76 -6.494 12.699 -0.175 1.00 0.13 H new ATOM 0 HA GLU A 76 -7.979 15.111 0.084 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.347 13.463 1.896 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -5.693 14.028 1.769 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.690 15.165 3.618 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -6.485 16.341 2.336 1.00 0.19 H new ATOM 1212 N TYR A 77 -4.846 15.304 -0.801 1.00 0.06 N ATOM 1213 CA TYR A 77 -3.795 16.196 -1.268 1.00 0.05 C ATOM 1214 C TYR A 77 -4.311 17.115 -2.369 1.00 0.07 C ATOM 1215 O TYR A 77 -4.220 18.339 -2.263 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.598 15.383 -1.771 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.487 16.225 -2.363 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.088 17.406 -1.751 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -0.838 15.838 -3.530 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.077 18.177 -2.276 1.00 0.16 C ATOM 1221 CE2 TYR A 77 0.178 16.605 -4.065 1.00 0.17 C ATOM 1222 CZ TYR A 77 0.553 17.775 -3.437 1.00 0.18 C ATOM 1223 OH TYR A 77 1.565 18.538 -3.969 1.00 0.21 O ATOM 0 H TYR A 77 -4.641 14.313 -0.926 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.475 16.816 -0.431 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.196 14.798 -0.944 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.944 14.674 -2.524 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.581 17.725 -0.845 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -1.133 14.925 -4.025 1.00 0.14 H new ATOM 0 HE1 TYR A 77 0.222 19.090 -1.783 1.00 0.16 H new ATOM 0 HE2 TYR A 77 0.676 16.291 -4.970 1.00 0.17 H new ATOM 0 HH TYR A 77 2.388 18.007 -4.010 1.00 0.21 H new ATOM 1233 N GLN A 78 -4.865 16.521 -3.417 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.390 17.289 -4.539 1.00 0.13 C ATOM 1235 C GLN A 78 -6.658 18.036 -4.134 1.00 0.06 C ATOM 1236 O GLN A 78 -7.038 19.023 -4.762 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.671 16.373 -5.735 1.00 0.19 C ATOM 1238 CG GLN A 78 -6.683 15.272 -5.451 1.00 0.23 C ATOM 1239 CD GLN A 78 -8.013 15.498 -6.146 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -8.415 16.632 -6.397 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -8.708 14.418 -6.452 1.00 0.26 N ATOM 0 H GLN A 78 -4.963 15.510 -3.514 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.637 18.021 -4.832 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.033 16.979 -6.566 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -4.735 15.917 -6.057 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -6.270 14.315 -5.770 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -6.848 15.205 -4.376 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -8.340 13.494 -6.227 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -9.613 14.508 -6.914 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.284 17.583 -3.052 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.508 18.195 -2.571 1.00 0.11 C ATOM 1252 C ARG A 79 -8.197 19.532 -1.924 1.00 0.17 C ATOM 1253 O ARG A 79 -8.787 20.551 -2.267 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.205 17.279 -1.564 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.701 17.511 -1.462 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.410 17.063 -2.728 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.143 18.155 -3.365 1.00 1.20 N ATOM 1258 CZ ARG A 79 -13.140 17.974 -4.228 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -13.504 16.743 -4.577 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -13.754 19.025 -4.754 1.00 1.78 N ATOM 0 H ARG A 79 -6.960 16.793 -2.494 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.175 18.352 -3.418 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.026 16.241 -1.845 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -8.756 17.425 -0.582 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.099 16.966 -0.606 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.897 18.569 -1.286 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -10.679 16.661 -3.429 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -12.101 16.254 -2.489 1.00 0.78 H new ATOM 0 HE ARG A 79 -11.875 19.112 -3.135 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -13.019 15.937 -4.183 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -14.268 16.605 -5.238 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -13.462 19.968 -4.497 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -14.518 18.891 -5.416 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.245 19.512 -1.003 1.00 0.11 N ATOM 1275 CA LEU A 80 -6.829 20.712 -0.295 1.00 0.17 C ATOM 1276 C LEU A 80 -6.393 21.810 -1.265 1.00 0.18 C ATOM 1277 O LEU A 80 -6.696 22.988 -1.069 1.00 0.22 O ATOM 1278 CB LEU A 80 -5.673 20.373 0.644 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.018 21.577 1.320 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -5.851 22.040 2.500 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -3.602 21.242 1.757 1.00 0.23 C ATOM 0 H LEU A 80 -6.742 18.669 -0.727 1.00 0.11 H new ATOM 0 HA LEU A 80 -7.681 21.082 0.276 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.038 19.696 1.416 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -4.912 19.833 0.080 1.00 0.19 H new ATOM 0 HG LEU A 80 -4.965 22.392 0.598 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -5.371 22.898 2.970 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -6.845 22.325 2.154 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -5.937 21.230 3.225 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.153 22.112 2.236 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -3.626 20.412 2.463 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.009 20.961 0.886 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.699 21.409 -2.323 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.201 22.354 -3.310 1.00 0.21 C ATOM 1295 C ARG A 81 -6.336 22.945 -4.143 1.00 0.22 C ATOM 1296 O ARG A 81 -6.333 24.139 -4.445 1.00 0.31 O ATOM 1297 CB ARG A 81 -4.170 21.681 -4.219 1.00 0.21 C ATOM 1298 CG ARG A 81 -3.023 21.032 -3.458 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.833 20.762 -4.362 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.273 21.998 -4.908 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.080 22.088 -5.495 1.00 0.50 C ATOM 1302 NH1 ARG A 81 0.713 21.025 -5.583 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 0.327 23.256 -5.975 1.00 0.54 N ATOM 0 H ARG A 81 -5.469 20.435 -2.518 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.721 23.172 -2.773 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.669 20.924 -4.823 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.765 22.423 -4.908 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.717 21.681 -2.637 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -3.363 20.096 -3.015 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -1.064 20.231 -3.801 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -2.139 20.109 -5.180 1.00 0.43 H new ATOM 0 HE ARG A 81 -1.833 22.847 -4.835 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.410 20.130 -5.199 1.00 0.71 H new ATOM 0 HH12 ARG A 81 1.624 21.105 -6.034 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -0.272 24.078 -5.893 1.00 0.54 H new ATOM 0 HH22 ARG A 81 1.239 23.332 -6.426 1.00 0.54 H new ATOM 1317 N GLU A 82 -7.320 22.125 -4.494 1.00 0.13 N ATOM 1318 CA GLU A 82 -8.434 22.601 -5.303 1.00 0.14 C ATOM 1319 C GLU A 82 -9.403 23.449 -4.470 1.00 0.14 C ATOM 1320 O GLU A 82 -10.034 24.369 -4.988 1.00 0.14 O ATOM 1321 CB GLU A 82 -9.157 21.428 -5.982 1.00 0.14 C ATOM 1322 CG GLU A 82 -10.170 20.704 -5.106 1.00 0.06 C ATOM 1323 CD GLU A 82 -11.571 21.268 -5.243 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -11.921 21.756 -6.342 1.00 0.84 O ATOM 1325 OE2 GLU A 82 -12.333 21.217 -4.254 1.00 1.21 O1- ATOM 0 H GLU A 82 -7.369 21.140 -4.235 1.00 0.13 H new ATOM 0 HA GLU A 82 -8.031 23.242 -6.087 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -9.667 21.800 -6.870 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -8.412 20.708 -6.321 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -10.181 19.646 -5.369 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -9.856 20.770 -4.064 1.00 0.06 H new ATOM 1332 N GLN A 83 -9.495 23.149 -3.176 1.00 0.14 N ATOM 1333 CA GLN A 83 -10.392 23.875 -2.274 1.00 0.14 C ATOM 1334 C GLN A 83 -9.891 25.289 -2.002 1.00 0.13 C ATOM 1335 O GLN A 83 -10.646 26.146 -1.543 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.543 23.125 -0.943 1.00 0.14 C ATOM 1337 CG GLN A 83 -11.259 21.789 -1.059 1.00 0.11 C ATOM 1338 CD GLN A 83 -11.105 20.932 0.183 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -10.126 21.051 0.924 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -12.064 20.053 0.417 1.00 0.65 N ATOM 0 H GLN A 83 -8.959 22.407 -2.726 1.00 0.14 H new ATOM 0 HA GLN A 83 -11.361 23.940 -2.768 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -9.553 22.958 -0.518 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -11.088 23.757 -0.242 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -12.319 21.964 -1.245 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -10.870 21.246 -1.920 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -12.859 19.984 -0.219 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -12.009 19.444 1.233 1.00 0.65 H new ATOM 1349 N LEU A 84 -8.621 25.536 -2.296 1.00 0.13 N ATOM 1350 CA LEU A 84 -8.027 26.848 -2.054 1.00 0.10 C ATOM 1351 C LEU A 84 -8.144 27.762 -3.267 1.00 0.05 C ATOM 1352 O LEU A 84 -8.035 28.984 -3.143 1.00 0.17 O ATOM 1353 CB LEU A 84 -6.552 26.710 -1.656 1.00 0.13 C ATOM 1354 CG LEU A 84 -6.229 27.002 -0.180 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -6.526 28.458 0.169 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -6.999 26.066 0.746 1.00 0.15 C ATOM 0 H LEU A 84 -7.984 24.850 -2.700 1.00 0.13 H new ATOM 0 HA LEU A 84 -8.585 27.301 -1.234 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -6.226 25.696 -1.886 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -5.962 27.383 -2.278 1.00 0.13 H new ATOM 0 HG LEU A 84 -5.163 26.826 -0.035 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -6.289 28.636 1.218 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -5.920 29.113 -0.457 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -7.582 28.666 -0.004 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -6.751 26.295 1.783 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -8.070 26.200 0.591 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -6.727 25.033 0.528 1.00 0.15 H new ATOM 1368 N LYS A 85 -8.376 27.180 -4.432 1.00 0.12 N ATOM 1369 CA LYS A 85 -8.484 27.966 -5.652 1.00 0.08 C ATOM 1370 C LYS A 85 -9.926 28.046 -6.130 1.00 0.11 C ATOM 1371 O LYS A 85 -10.787 27.292 -5.674 1.00 0.11 O ATOM 1372 CB LYS A 85 -7.597 27.379 -6.755 1.00 0.02 C ATOM 1373 CG LYS A 85 -8.058 26.022 -7.260 1.00 0.15 C ATOM 1374 CD LYS A 85 -7.154 25.490 -8.359 1.00 0.18 C ATOM 1375 CE LYS A 85 -7.410 26.192 -9.682 1.00 0.27 C ATOM 1376 NZ LYS A 85 -6.648 25.572 -10.792 1.00 0.48 N1+ ATOM 0 H LYS A 85 -8.492 26.175 -4.560 1.00 0.12 H new ATOM 0 HA LYS A 85 -8.142 28.976 -5.425 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -7.567 28.076 -7.592 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -6.578 27.288 -6.378 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -8.078 25.314 -6.432 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -9.078 26.102 -7.636 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -6.112 25.625 -8.071 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -7.316 24.419 -8.478 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -8.475 26.160 -9.910 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -7.134 27.243 -9.595 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -6.850 26.079 -11.677 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -5.630 25.625 -10.586 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -6.929 24.576 -10.892 1.00 0.48 H new ATOM 1390 N LYS A 86 -10.178 28.977 -7.034 1.00 0.23 N ATOM 1391 CA LYS A 86 -11.506 29.171 -7.591 1.00 0.30 C ATOM 1392 C LYS A 86 -11.532 28.722 -9.044 1.00 0.31 C ATOM 1393 O LYS A 86 -10.931 29.414 -9.894 1.00 0.34 O ATOM 1394 CB LYS A 86 -11.917 30.642 -7.480 1.00 0.35 C ATOM 1395 CG LYS A 86 -13.327 30.925 -7.972 1.00 0.42 C ATOM 1396 CD LYS A 86 -13.736 32.365 -7.706 1.00 0.38 C ATOM 1397 CE LYS A 86 -13.984 32.612 -6.226 1.00 0.40 C ATOM 1398 NZ LYS A 86 -14.737 33.871 -5.989 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -12.145 27.671 -9.333 1.00 0.35 O1- ATOM 0 H LYS A 86 -9.473 29.616 -7.401 1.00 0.23 H new ATOM 0 HA LYS A 86 -12.217 28.569 -7.026 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -11.836 30.954 -6.439 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -11.215 31.250 -8.050 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -13.387 30.721 -9.041 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -14.027 30.251 -7.479 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -12.955 33.037 -8.062 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -14.639 32.598 -8.271 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -14.540 31.773 -5.807 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -13.030 32.656 -5.701 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -14.884 34.000 -4.968 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -14.196 34.675 -6.366 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -15.659 33.820 -6.468 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -29.623 -6.375 16.708 1.00 1.09 N ATOM 1415 CA GLY B 1 -29.033 -5.421 15.741 1.00 0.31 C ATOM 1416 C GLY B 1 -29.870 -4.172 15.613 1.00 0.29 C ATOM 1417 O GLY B 1 -31.101 -4.232 15.684 1.00 0.69 O ATOM 0 H1 GLY B 1 -29.479 -7.347 16.368 1.00 1.09 H new ATOM 0 H2 GLY B 1 -29.163 -6.260 17.634 1.00 1.09 H new ATOM 0 H3 GLY B 1 -30.642 -6.188 16.802 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -28.026 -5.154 16.061 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -28.941 -5.900 14.766 1.00 0.31 H new ATOM 1423 N SER B 2 -29.210 -3.039 15.429 1.00 0.38 N ATOM 1424 CA SER B 2 -29.897 -1.767 15.297 1.00 0.63 C ATOM 1425 C SER B 2 -30.340 -1.536 13.855 1.00 0.42 C ATOM 1426 O SER B 2 -30.000 -2.310 12.955 1.00 0.44 O ATOM 1427 CB SER B 2 -28.971 -0.638 15.751 1.00 1.08 C ATOM 1428 OG SER B 2 -27.758 -1.157 16.277 1.00 1.47 O ATOM 0 H SER B 2 -28.194 -2.976 15.368 1.00 0.38 H new ATOM 0 HA SER B 2 -30.787 -1.782 15.926 1.00 0.63 H new ATOM 0 HB2 SER B 2 -28.755 0.021 14.910 1.00 1.08 H new ATOM 0 HB3 SER B 2 -29.471 -0.034 16.508 1.00 1.08 H new ATOM 0 HG SER B 2 -27.181 -0.417 16.559 1.00 1.47 H new ATOM 1434 N HIS B 3 -31.107 -0.478 13.642 1.00 0.34 N ATOM 1435 CA HIS B 3 -31.588 -0.137 12.312 1.00 0.24 C ATOM 1436 C HIS B 3 -30.616 0.827 11.636 1.00 0.25 C ATOM 1437 O HIS B 3 -30.222 1.839 12.214 1.00 0.45 O ATOM 1438 CB HIS B 3 -32.992 0.483 12.400 1.00 0.41 C ATOM 1439 CG HIS B 3 -33.440 1.188 11.150 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -33.509 2.564 11.044 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -33.838 0.701 9.952 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -33.929 2.888 9.834 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -34.133 1.777 9.154 1.00 1.42 N ATOM 0 H HIS B 3 -31.411 0.162 14.376 1.00 0.34 H new ATOM 0 HA HIS B 3 -31.649 -1.045 11.712 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -33.709 -0.304 12.636 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -33.012 1.191 13.229 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -33.910 -0.341 9.676 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -34.080 3.892 9.465 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -34.458 1.726 8.189 1.00 1.42 H new ATOM 1452 N MET B 4 -30.228 0.503 10.415 1.00 0.16 N ATOM 1453 CA MET B 4 -29.314 1.347 9.666 1.00 0.18 C ATOM 1454 C MET B 4 -30.064 2.499 9.015 1.00 0.37 C ATOM 1455 O MET B 4 -30.978 2.290 8.219 1.00 0.82 O ATOM 1456 CB MET B 4 -28.572 0.533 8.604 1.00 0.24 C ATOM 1457 CG MET B 4 -27.349 -0.192 9.141 1.00 0.26 C ATOM 1458 SD MET B 4 -26.175 0.924 9.930 1.00 0.45 S ATOM 1459 CE MET B 4 -24.948 -0.242 10.522 1.00 0.61 C ATOM 0 H MET B 4 -30.531 -0.337 9.922 1.00 0.16 H new ATOM 0 HA MET B 4 -28.582 1.756 10.362 1.00 0.18 H new ATOM 0 HB2 MET B 4 -29.257 -0.197 8.173 1.00 0.24 H new ATOM 0 HB3 MET B 4 -28.265 1.198 7.797 1.00 0.24 H new ATOM 0 HG2 MET B 4 -27.665 -0.948 9.859 1.00 0.26 H new ATOM 0 HG3 MET B 4 -26.854 -0.716 8.324 1.00 0.26 H new ATOM 0 HE1 MET B 4 -24.152 0.297 11.035 1.00 0.61 H new ATOM 0 HE2 MET B 4 -25.416 -0.943 11.213 1.00 0.61 H new ATOM 0 HE3 MET B 4 -24.529 -0.790 9.678 1.00 0.61 H new ATOM 1469 N THR B 5 -29.689 3.711 9.383 1.00 0.18 N ATOM 1470 CA THR B 5 -30.310 4.906 8.839 1.00 0.33 C ATOM 1471 C THR B 5 -29.228 5.866 8.346 1.00 0.22 C ATOM 1472 O THR B 5 -29.430 7.079 8.258 1.00 0.16 O ATOM 1473 CB THR B 5 -31.207 5.598 9.897 1.00 0.59 C ATOM 1474 OG1 THR B 5 -31.854 6.745 9.332 1.00 0.29 O ATOM 1475 CG2 THR B 5 -30.397 6.014 11.118 1.00 0.99 C ATOM 0 H THR B 5 -28.951 3.895 10.062 1.00 0.18 H new ATOM 0 HA THR B 5 -30.945 4.619 8.001 1.00 0.33 H new ATOM 0 HB THR B 5 -31.963 4.879 10.213 1.00 0.59 H new ATOM 0 HG1 THR B 5 -31.190 7.305 8.879 1.00 0.29 H new ATOM 0 HG21 THR B 5 -31.053 6.497 11.843 1.00 0.99 H new ATOM 0 HG22 THR B 5 -29.942 5.133 11.571 1.00 0.99 H new ATOM 0 HG23 THR B 5 -29.615 6.711 10.816 1.00 0.99 H new ATOM 1483 N GLU B 6 -28.076 5.299 8.020 1.00 0.23 N ATOM 1484 CA GLU B 6 -26.943 6.075 7.543 1.00 0.17 C ATOM 1485 C GLU B 6 -26.051 5.210 6.668 1.00 0.23 C ATOM 1486 O GLU B 6 -26.277 4.006 6.547 1.00 0.52 O ATOM 1487 CB GLU B 6 -26.136 6.614 8.731 1.00 0.15 C ATOM 1488 CG GLU B 6 -25.648 5.528 9.681 1.00 0.15 C ATOM 1489 CD GLU B 6 -24.653 6.046 10.700 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -24.199 7.200 10.559 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -24.319 5.302 11.644 1.00 1.72 O1- ATOM 0 H GLU B 6 -27.902 4.296 8.078 1.00 0.23 H new ATOM 0 HA GLU B 6 -27.315 6.914 6.955 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -25.276 7.168 8.354 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -26.752 7.321 9.287 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -26.503 5.095 10.201 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -25.187 4.727 9.104 1.00 0.15 H new ATOM 1498 N GLN B 7 -25.054 5.827 6.054 1.00 0.15 N ATOM 1499 CA GLN B 7 -24.114 5.104 5.214 1.00 0.22 C ATOM 1500 C GLN B 7 -22.734 5.096 5.863 1.00 0.22 C ATOM 1501 O GLN B 7 -21.928 6.004 5.645 1.00 0.45 O ATOM 1502 CB GLN B 7 -24.037 5.723 3.819 1.00 0.57 C ATOM 1503 CG GLN B 7 -25.101 5.204 2.865 1.00 0.48 C ATOM 1504 CD GLN B 7 -24.655 5.252 1.418 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -23.927 6.156 1.004 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -25.081 4.275 0.638 1.00 0.86 N ATOM 0 H GLN B 7 -24.875 6.829 6.122 1.00 0.15 H new ATOM 0 HA GLN B 7 -24.467 4.078 5.110 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -24.134 6.805 3.905 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -23.053 5.524 3.396 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -25.353 4.177 3.130 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -26.009 5.795 2.982 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -25.683 3.544 1.018 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -24.808 4.251 -0.345 1.00 0.86 H new ATOM 1515 N PRO B 8 -22.454 4.087 6.696 1.00 0.27 N ATOM 1516 CA PRO B 8 -21.181 3.952 7.379 1.00 0.51 C ATOM 1517 C PRO B 8 -20.170 3.186 6.530 1.00 0.35 C ATOM 1518 O PRO B 8 -20.397 2.965 5.339 1.00 0.14 O ATOM 1519 CB PRO B 8 -21.543 3.155 8.648 1.00 0.80 C ATOM 1520 CG PRO B 8 -22.955 2.675 8.463 1.00 0.79 C ATOM 1521 CD PRO B 8 -23.350 2.986 7.045 1.00 0.38 C ATOM 0 HA PRO B 8 -20.714 4.914 7.591 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -20.863 2.315 8.785 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -21.460 3.781 9.536 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -23.026 1.604 8.656 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -23.625 3.170 9.166 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -23.211 2.127 6.388 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -24.398 3.278 6.971 1.00 0.38 H new ATOM 1529 N LYS B 9 -19.051 2.813 7.139 1.00 0.47 N ATOM 1530 CA LYS B 9 -18.018 2.045 6.449 1.00 0.33 C ATOM 1531 C LYS B 9 -18.573 0.691 5.999 1.00 0.35 C ATOM 1532 O LYS B 9 -18.553 -0.291 6.744 1.00 0.52 O ATOM 1533 CB LYS B 9 -16.784 1.853 7.347 1.00 0.23 C ATOM 1534 CG LYS B 9 -17.102 1.358 8.755 1.00 0.28 C ATOM 1535 CD LYS B 9 -15.911 0.677 9.409 1.00 0.35 C ATOM 1536 CE LYS B 9 -16.157 0.462 10.894 1.00 0.69 C ATOM 1537 NZ LYS B 9 -16.353 1.746 11.617 1.00 0.89 N1+ ATOM 0 H LYS B 9 -18.834 3.030 8.112 1.00 0.47 H new ATOM 0 HA LYS B 9 -17.708 2.605 5.566 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -16.108 1.143 6.869 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -16.251 2.801 7.420 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -17.420 2.200 9.371 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -17.938 0.660 8.712 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -15.724 -0.281 8.925 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -15.017 1.285 9.269 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -17.036 -0.168 11.028 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -15.312 -0.073 11.328 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -15.774 1.750 12.481 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -16.066 2.536 11.005 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -17.356 1.852 11.871 1.00 0.89 H new ATOM 1551 N THR B 10 -19.088 0.655 4.783 1.00 0.33 N ATOM 1552 CA THR B 10 -19.671 -0.552 4.231 1.00 0.31 C ATOM 1553 C THR B 10 -18.590 -1.536 3.782 1.00 0.23 C ATOM 1554 O THR B 10 -17.415 -1.185 3.684 1.00 0.23 O ATOM 1555 CB THR B 10 -20.613 -0.213 3.052 1.00 0.36 C ATOM 1556 OG1 THR B 10 -21.552 -1.278 2.847 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.835 0.041 1.766 1.00 0.28 C ATOM 0 H THR B 10 -19.113 1.458 4.154 1.00 0.33 H new ATOM 0 HA THR B 10 -20.255 -1.028 5.019 1.00 0.31 H new ATOM 0 HB THR B 10 -21.148 0.701 3.310 1.00 0.36 H new ATOM 0 HG1 THR B 10 -22.144 -1.052 2.100 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.531 0.276 0.960 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.153 0.879 1.913 1.00 0.28 H new ATOM 0 HG23 THR B 10 -19.264 -0.850 1.504 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.996 -2.769 3.530 1.00 0.25 N ATOM 1566 CA ARG B 11 -18.071 -3.797 3.089 1.00 0.21 C ATOM 1567 C ARG B 11 -18.195 -3.984 1.582 1.00 0.27 C ATOM 1568 O ARG B 11 -19.303 -4.055 1.046 1.00 0.53 O ATOM 1569 CB ARG B 11 -18.342 -5.114 3.824 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.574 -4.931 5.317 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.412 -6.238 6.079 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.560 -6.527 6.941 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.781 -5.952 8.125 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.956 -5.018 8.587 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.838 -6.309 8.840 1.00 1.72 N ATOM 0 H ARG B 11 -19.962 -3.082 3.624 1.00 0.25 H new ATOM 0 HA ARG B 11 -17.053 -3.486 3.323 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -19.215 -5.595 3.384 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -17.498 -5.787 3.674 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -17.872 -4.194 5.706 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -19.576 -4.535 5.483 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -18.279 -7.055 5.370 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -17.508 -6.192 6.686 1.00 0.68 H new ATOM 0 HE ARG B 11 -20.238 -7.216 6.614 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.146 -4.735 8.036 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.133 -4.584 9.493 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -21.478 -7.020 8.485 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -21.012 -5.873 9.746 1.00 1.72 H new ATOM 1589 N VAL B 12 -17.066 -4.045 0.901 1.00 0.16 N ATOM 1590 CA VAL B 12 -17.063 -4.195 -0.542 1.00 0.15 C ATOM 1591 C VAL B 12 -16.272 -5.430 -0.968 1.00 0.12 C ATOM 1592 O VAL B 12 -15.293 -5.811 -0.322 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.480 -2.935 -1.227 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.994 -2.788 -0.931 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.733 -2.958 -2.727 1.00 0.25 C ATOM 0 H VAL B 12 -16.139 -3.993 1.324 1.00 0.16 H new ATOM 0 HA VAL B 12 -18.098 -4.321 -0.859 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.993 -2.067 -0.813 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.611 -1.895 -1.425 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.844 -2.700 0.145 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.461 -3.664 -1.301 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.312 -2.061 -3.181 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.262 -3.840 -3.162 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.806 -2.990 -2.915 1.00 0.25 H new ATOM 1605 N SER B 13 -16.725 -6.065 -2.037 1.00 0.09 N ATOM 1606 CA SER B 13 -16.068 -7.244 -2.571 1.00 0.12 C ATOM 1607 C SER B 13 -15.071 -6.838 -3.657 1.00 0.18 C ATOM 1608 O SER B 13 -15.431 -6.136 -4.609 1.00 0.48 O ATOM 1609 CB SER B 13 -17.123 -8.195 -3.138 1.00 0.12 C ATOM 1610 OG SER B 13 -18.433 -7.739 -2.812 1.00 0.38 O ATOM 0 H SER B 13 -17.555 -5.778 -2.556 1.00 0.09 H new ATOM 0 HA SER B 13 -15.521 -7.752 -1.776 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.015 -8.264 -4.220 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.970 -9.197 -2.738 1.00 0.12 H new ATOM 0 HG SER B 13 -19.096 -8.357 -3.183 1.00 0.38 H new ATOM 1616 N VAL B 14 -13.819 -7.247 -3.499 1.00 0.14 N ATOM 1617 CA VAL B 14 -12.777 -6.923 -4.461 1.00 0.13 C ATOM 1618 C VAL B 14 -12.080 -8.194 -4.940 1.00 0.09 C ATOM 1619 O VAL B 14 -11.506 -8.939 -4.147 1.00 0.19 O ATOM 1620 CB VAL B 14 -11.728 -5.937 -3.883 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -12.283 -4.521 -3.843 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.266 -6.363 -2.494 1.00 0.17 C ATOM 0 H VAL B 14 -13.500 -7.807 -2.708 1.00 0.14 H new ATOM 0 HA VAL B 14 -13.264 -6.432 -5.303 1.00 0.13 H new ATOM 0 HB VAL B 14 -10.863 -5.955 -4.545 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -11.530 -3.847 -3.434 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -12.544 -4.204 -4.853 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.172 -4.496 -3.213 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.532 -5.650 -2.120 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.121 -6.391 -1.819 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.814 -7.354 -2.549 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.147 -8.445 -6.238 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.534 -9.630 -6.813 1.00 0.12 C ATOM 1634 C ARG B 15 -10.126 -9.332 -7.319 1.00 0.08 C ATOM 1635 O ARG B 15 -9.941 -8.556 -8.258 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.400 -10.184 -7.946 1.00 0.19 C ATOM 1637 CG ARG B 15 -12.273 -11.689 -8.115 1.00 0.32 C ATOM 1638 CD ARG B 15 -13.365 -12.254 -9.011 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.105 -11.998 -10.425 1.00 0.23 N ATOM 1640 CZ ARG B 15 -13.928 -12.352 -11.412 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -15.060 -12.992 -11.141 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -13.610 -12.080 -12.672 1.00 0.33 N ATOM 0 H ARG B 15 -12.620 -7.843 -6.913 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.459 -10.383 -6.028 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.443 -9.933 -7.753 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.122 -9.695 -8.880 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -11.297 -11.926 -8.539 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -12.321 -12.169 -7.138 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -13.447 -13.328 -8.847 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -14.323 -11.815 -8.734 1.00 0.37 H new ATOM 0 HE ARG B 15 -12.240 -11.518 -10.673 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -15.302 -13.214 -10.175 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -15.688 -13.261 -11.899 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -12.736 -11.600 -12.885 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -14.240 -12.351 -13.427 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.137 -9.942 -6.682 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.747 -9.765 -7.061 1.00 0.08 C ATOM 1658 C ILE B 16 -7.147 -11.117 -7.424 1.00 0.13 C ATOM 1659 O ILE B 16 -7.219 -12.062 -6.633 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.924 -9.122 -5.923 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.630 -7.869 -5.391 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.524 -8.780 -6.413 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.056 -7.349 -4.088 1.00 0.15 C ATOM 0 H ILE B 16 -9.277 -10.571 -5.891 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.712 -9.094 -7.920 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.840 -9.839 -5.107 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.569 -7.082 -6.143 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.687 -8.092 -5.248 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -4.955 -8.328 -5.601 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.023 -9.689 -6.745 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.591 -8.078 -7.244 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -7.607 -6.462 -3.776 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.141 -8.118 -3.320 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.006 -7.092 -4.230 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.593 -11.210 -8.630 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.987 -12.444 -9.128 1.00 0.25 C ATOM 1677 C TYR B 17 -7.012 -13.578 -9.191 1.00 0.24 C ATOM 1678 O TYR B 17 -6.658 -14.757 -9.150 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.789 -12.847 -8.265 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.475 -12.851 -9.018 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -3.102 -11.770 -9.808 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.606 -13.931 -8.932 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -1.900 -11.766 -10.488 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.402 -13.933 -9.611 1.00 0.31 C ATOM 1685 CZ TYR B 17 -1.055 -12.848 -10.385 1.00 0.26 C ATOM 1686 OH TYR B 17 0.146 -12.845 -11.061 1.00 0.34 O ATOM 0 H TYR B 17 -6.551 -10.433 -9.290 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.633 -12.255 -10.141 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.713 -12.162 -7.421 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.966 -13.841 -7.854 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -3.763 -10.920 -9.891 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -2.875 -14.783 -8.325 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -1.624 -10.918 -11.098 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -0.737 -14.781 -9.535 1.00 0.31 H new ATOM 0 HH TYR B 17 0.727 -12.147 -10.693 1.00 0.34 H new ATOM 1696 N GLY B 18 -8.285 -13.210 -9.291 1.00 0.21 N ATOM 1697 CA GLY B 18 -9.339 -14.202 -9.376 1.00 0.22 C ATOM 1698 C GLY B 18 -10.037 -14.451 -8.052 1.00 0.22 C ATOM 1699 O GLY B 18 -11.163 -14.943 -8.026 1.00 0.24 O ATOM 0 H GLY B 18 -8.605 -12.242 -9.315 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -10.075 -13.878 -10.112 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.918 -15.140 -9.739 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.390 -14.101 -6.950 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.979 -14.320 -5.633 1.00 0.21 C ATOM 1705 C GLN B 19 -10.691 -13.064 -5.133 1.00 0.18 C ATOM 1706 O GLN B 19 -10.102 -11.983 -5.094 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.902 -14.744 -4.633 1.00 0.22 C ATOM 1708 CG GLN B 19 -9.033 -16.185 -4.164 1.00 0.56 C ATOM 1709 CD GLN B 19 -10.332 -16.455 -3.422 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -10.879 -17.555 -3.490 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -10.831 -15.463 -2.699 1.00 1.36 N ATOM 0 H GLN B 19 -8.466 -13.668 -6.938 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.716 -15.118 -5.723 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.922 -14.608 -5.090 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -8.944 -14.084 -3.766 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.969 -16.849 -5.026 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -8.193 -16.427 -3.513 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -10.350 -14.564 -2.666 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -11.696 -15.598 -2.176 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.955 -13.211 -4.754 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.744 -12.088 -4.259 1.00 0.24 C ATOM 1722 C ASP B 20 -12.663 -11.993 -2.740 1.00 0.23 C ATOM 1723 O ASP B 20 -12.878 -12.983 -2.035 1.00 0.23 O ATOM 1724 CB ASP B 20 -14.202 -12.221 -4.702 1.00 0.31 C ATOM 1725 CG ASP B 20 -15.072 -11.091 -4.188 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.826 -9.931 -4.565 1.00 1.64 O ATOM 1727 OD2 ASP B 20 -16.013 -11.367 -3.411 1.00 0.39 O1- ATOM 0 H ASP B 20 -12.457 -14.099 -4.780 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.330 -11.173 -4.683 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.247 -12.243 -5.791 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.600 -13.172 -4.348 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.341 -10.807 -2.240 1.00 0.23 N ATOM 1733 CA TYR B 21 -12.228 -10.582 -0.805 1.00 0.22 C ATOM 1734 C TYR B 21 -13.191 -9.493 -0.357 1.00 0.24 C ATOM 1735 O TYR B 21 -13.464 -8.555 -1.103 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.803 -10.169 -0.426 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.724 -11.065 -0.987 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.570 -12.371 -0.536 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -8.857 -10.601 -1.967 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -8.582 -13.188 -1.047 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -7.868 -11.415 -2.483 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.736 -12.706 -2.018 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.752 -13.519 -2.529 1.00 0.14 O ATOM 0 H TYR B 21 -12.153 -9.983 -2.810 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.476 -11.519 -0.306 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.629 -9.150 -0.772 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.718 -10.155 0.661 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -10.234 -12.752 0.226 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -8.957 -9.589 -2.331 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -8.474 -14.200 -0.686 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.202 -11.042 -3.247 1.00 0.16 H new ATOM 0 HH TYR B 21 -6.402 -13.128 -3.357 1.00 0.14 H new ATOM 1753 N THR B 22 -13.702 -9.623 0.853 1.00 0.18 N ATOM 1754 CA THR B 22 -14.614 -8.635 1.406 1.00 0.18 C ATOM 1755 C THR B 22 -13.864 -7.689 2.342 1.00 0.16 C ATOM 1756 O THR B 22 -13.505 -8.062 3.458 1.00 0.21 O ATOM 1757 CB THR B 22 -15.761 -9.311 2.178 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.979 -10.632 1.665 1.00 0.54 O ATOM 1759 CG2 THR B 22 -17.041 -8.500 2.056 1.00 0.26 C ATOM 0 H THR B 22 -13.501 -10.406 1.475 1.00 0.18 H new ATOM 0 HA THR B 22 -15.036 -8.070 0.575 1.00 0.18 H new ATOM 0 HB THR B 22 -15.482 -9.369 3.230 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.709 -11.059 2.160 1.00 0.54 H new ATOM 0 HG21 THR B 22 -17.839 -8.995 2.609 1.00 0.26 H new ATOM 0 HG22 THR B 22 -16.880 -7.503 2.466 1.00 0.26 H new ATOM 0 HG23 THR B 22 -17.322 -8.420 1.006 1.00 0.26 H new ATOM 1767 N ILE B 23 -13.618 -6.472 1.880 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.901 -5.490 2.680 1.00 0.11 C ATOM 1769 C ILE B 23 -13.800 -4.314 3.027 1.00 0.14 C ATOM 1770 O ILE B 23 -14.972 -4.285 2.651 1.00 0.32 O ATOM 1771 CB ILE B 23 -11.641 -4.966 1.955 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -12.020 -4.335 0.609 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -10.636 -6.096 1.759 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.907 -3.526 -0.019 1.00 0.08 C ATOM 0 H ILE B 23 -13.903 -6.141 0.958 1.00 0.11 H new ATOM 0 HA ILE B 23 -12.591 -5.996 3.594 1.00 0.11 H new ATOM 0 HB ILE B 23 -11.177 -4.197 2.572 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.317 -5.124 -0.081 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -12.889 -3.692 0.751 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.753 -5.713 1.247 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -10.347 -6.498 2.730 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -11.089 -6.886 1.160 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.249 -3.111 -0.967 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.625 -2.714 0.651 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -10.044 -4.169 -0.194 1.00 0.08 H new ATOM 1786 N VAL B 24 -13.249 -3.349 3.742 1.00 0.16 N ATOM 1787 CA VAL B 24 -14.000 -2.171 4.139 1.00 0.17 C ATOM 1788 C VAL B 24 -13.896 -1.090 3.068 1.00 0.22 C ATOM 1789 O VAL B 24 -12.801 -0.628 2.747 1.00 0.28 O ATOM 1790 CB VAL B 24 -13.496 -1.602 5.484 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -14.337 -0.411 5.916 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.497 -2.677 6.560 1.00 0.18 C ATOM 0 H VAL B 24 -12.280 -3.358 4.061 1.00 0.16 H new ATOM 0 HA VAL B 24 -15.040 -2.474 4.259 1.00 0.17 H new ATOM 0 HB VAL B 24 -12.470 -1.262 5.343 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.964 -0.027 6.865 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -14.276 0.371 5.159 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -15.375 -0.722 6.034 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -13.138 -2.253 7.498 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.510 -3.054 6.696 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.843 -3.495 6.258 1.00 0.18 H new ATOM 1802 N GLY B 25 -15.034 -0.688 2.521 1.00 0.21 N ATOM 1803 CA GLY B 25 -15.044 0.334 1.498 1.00 0.27 C ATOM 1804 C GLY B 25 -15.379 1.692 2.066 1.00 0.07 C ATOM 1805 O GLY B 25 -16.382 2.302 1.700 1.00 0.28 O ATOM 0 H GLY B 25 -15.953 -1.054 2.769 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -14.068 0.373 1.014 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -15.771 0.072 0.729 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.536 2.167 2.972 1.00 0.15 N ATOM 1810 CA ALA B 26 -14.746 3.460 3.602 1.00 0.36 C ATOM 1811 C ALA B 26 -14.222 4.589 2.716 1.00 0.34 C ATOM 1812 O ALA B 26 -13.277 5.290 3.083 1.00 0.57 O ATOM 1813 CB ALA B 26 -14.077 3.494 4.971 1.00 0.61 C ATOM 0 H ALA B 26 -13.700 1.675 3.287 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.818 3.608 3.735 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -14.242 4.468 5.432 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -14.504 2.716 5.604 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -13.007 3.323 4.857 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.844 4.747 1.551 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.470 5.778 0.589 1.00 0.06 C ATOM 1821 C GLU B 27 -15.438 5.745 -0.588 1.00 0.07 C ATOM 1822 O GLU B 27 -16.485 5.101 -0.511 1.00 0.08 O ATOM 1823 CB GLU B 27 -13.028 5.563 0.104 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.136 6.790 0.234 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.975 7.534 -1.073 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.991 8.034 -1.605 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -10.839 7.606 -1.577 1.00 2.44 O1- ATOM 0 H GLU B 27 -15.623 4.162 1.247 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.523 6.754 1.071 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.585 4.744 0.670 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -13.050 5.253 -0.941 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.557 7.463 0.981 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.155 6.484 0.597 1.00 0.97 H new ATOM 1834 N SER B 28 -15.102 6.449 -1.659 1.00 0.08 N ATOM 1835 CA SER B 28 -15.944 6.485 -2.845 1.00 0.11 C ATOM 1836 C SER B 28 -15.948 5.122 -3.535 1.00 0.14 C ATOM 1837 O SER B 28 -14.891 4.509 -3.707 1.00 0.14 O ATOM 1838 CB SER B 28 -15.451 7.566 -3.814 1.00 0.16 C ATOM 1839 OG SER B 28 -14.998 8.718 -3.118 1.00 0.98 O ATOM 0 H SER B 28 -14.250 7.004 -1.731 1.00 0.08 H new ATOM 0 HA SER B 28 -16.963 6.725 -2.540 1.00 0.11 H new ATOM 0 HB2 SER B 28 -14.642 7.167 -4.426 1.00 0.16 H new ATOM 0 HB3 SER B 28 -16.257 7.843 -4.493 1.00 0.16 H new ATOM 0 HG SER B 28 -14.082 8.571 -2.803 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.140 4.631 -3.928 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.297 3.335 -4.607 1.00 0.21 C ATOM 1847 C PRO B 29 -16.338 3.154 -5.781 1.00 0.18 C ATOM 1848 O PRO B 29 -15.745 2.090 -5.951 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.743 3.376 -5.103 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.443 4.245 -4.121 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.443 5.292 -3.713 1.00 0.18 C ATOM 0 HA PRO B 29 -17.075 2.502 -3.940 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -18.806 3.784 -6.112 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.181 2.378 -5.135 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -20.328 4.701 -4.564 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -19.779 3.669 -3.259 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.539 6.195 -4.316 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.575 5.589 -2.672 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.178 4.198 -6.582 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.291 4.142 -7.735 1.00 0.16 C ATOM 1861 C ALA B 30 -13.825 4.116 -7.309 1.00 0.10 C ATOM 1862 O ALA B 30 -12.988 3.488 -7.960 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.547 5.325 -8.652 1.00 0.20 C ATOM 0 H ALA B 30 -16.650 5.093 -6.455 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.501 3.218 -8.274 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -14.877 5.272 -9.510 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.581 5.301 -8.996 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.367 6.252 -8.108 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.532 4.784 -6.200 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.172 4.859 -5.677 1.00 0.13 C ATOM 1871 C HIS B 31 -11.732 3.499 -5.142 1.00 0.07 C ATOM 1872 O HIS B 31 -10.618 3.052 -5.402 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.090 5.915 -4.567 1.00 0.20 C ATOM 1874 CG HIS B 31 -10.760 6.598 -4.459 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -10.549 7.890 -4.883 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -9.578 6.176 -3.952 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -9.299 8.232 -4.643 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -8.682 7.213 -4.075 1.00 1.22 N ATOM 0 H HIS B 31 -14.223 5.285 -5.642 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.503 5.147 -6.488 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.858 6.668 -4.741 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -12.320 5.440 -3.613 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -11.251 8.490 -5.316 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -9.375 5.203 -3.528 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -8.853 9.188 -4.873 1.00 0.48 H new ATOM 1887 N ILE B 32 -12.625 2.838 -4.413 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.335 1.522 -3.831 1.00 0.08 C ATOM 1889 C ILE B 32 -12.448 0.407 -4.870 1.00 0.07 C ATOM 1890 O ILE B 32 -12.114 -0.744 -4.601 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.264 1.205 -2.631 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.732 1.112 -3.081 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.097 2.260 -1.549 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.681 0.639 -2.003 1.00 0.10 C ATOM 0 H ILE B 32 -13.560 3.189 -4.208 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.306 1.566 -3.474 1.00 0.08 H new ATOM 0 HB ILE B 32 -12.980 0.236 -2.221 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.056 2.092 -3.430 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.798 0.433 -3.931 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.754 2.028 -0.710 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.062 2.270 -1.207 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.355 3.239 -1.952 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.695 0.601 -2.402 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.385 -0.355 -1.669 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.648 1.330 -1.160 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.914 0.754 -6.059 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.055 -0.220 -7.128 1.00 0.05 C ATOM 1908 C ARG B 33 -11.743 -0.359 -7.889 1.00 0.04 C ATOM 1909 O ARG B 33 -11.347 -1.461 -8.265 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.180 0.184 -8.083 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.084 -0.974 -8.476 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.006 -1.380 -7.333 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.550 -2.725 -7.513 1.00 0.42 N ATOM 1914 CZ ARG B 33 -16.224 -3.774 -6.755 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -15.326 -3.646 -5.784 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -16.796 -4.949 -6.969 1.00 1.46 N ATOM 0 H ARG B 33 -13.200 1.701 -6.307 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.310 -1.183 -6.685 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.782 0.962 -7.614 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -13.744 0.617 -8.983 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.681 -0.692 -9.343 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.474 -1.827 -8.773 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.457 -1.335 -6.392 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.826 -0.665 -7.258 1.00 0.36 H new ATOM 0 HE ARG B 33 -17.222 -2.871 -8.266 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -14.883 -2.743 -5.615 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -15.080 -4.451 -5.207 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -17.486 -5.052 -7.713 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -16.547 -5.751 -6.390 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.061 0.765 -8.093 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.794 0.768 -8.816 1.00 0.09 C ATOM 1932 C LEU B 34 -8.673 0.180 -7.963 1.00 0.08 C ATOM 1933 O LEU B 34 -7.646 -0.243 -8.491 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.435 2.186 -9.287 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.062 3.193 -8.191 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.552 3.266 -8.012 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.618 4.569 -8.522 1.00 0.14 C ATOM 0 H LEU B 34 -11.364 1.683 -7.768 1.00 0.06 H new ATOM 0 HA LEU B 34 -9.911 0.137 -9.697 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.600 2.114 -9.984 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.282 2.586 -9.845 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.503 2.852 -7.254 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.313 3.986 -7.230 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.171 2.284 -7.730 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.089 3.580 -8.948 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.344 5.271 -7.734 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.205 4.910 -9.471 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.704 4.514 -8.598 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.877 0.152 -6.646 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.884 -0.395 -5.726 1.00 0.08 C ATOM 1951 C VAL B 35 -7.578 -1.842 -6.088 1.00 0.08 C ATOM 1952 O VAL B 35 -6.418 -2.254 -6.139 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.368 -0.334 -4.260 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.309 -0.884 -3.319 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.729 1.090 -3.869 1.00 0.09 C ATOM 0 H VAL B 35 -9.722 0.502 -6.194 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.984 0.214 -5.818 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.261 -0.953 -4.176 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.672 -0.831 -2.292 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.097 -1.922 -3.576 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.397 -0.294 -3.413 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.067 1.108 -2.833 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -7.853 1.730 -3.976 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.526 1.454 -4.517 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.635 -2.598 -6.356 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.506 -4.002 -6.727 1.00 0.07 C ATOM 1967 C ALA B 36 -7.665 -4.165 -7.988 1.00 0.09 C ATOM 1968 O ALA B 36 -6.778 -5.017 -8.053 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.881 -4.616 -6.936 1.00 0.08 C ATOM 0 H ALA B 36 -9.597 -2.260 -6.323 1.00 0.07 H new ATOM 0 HA ALA B 36 -8.000 -4.521 -5.913 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.773 -5.665 -7.213 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.457 -4.542 -6.013 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.401 -4.082 -7.732 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.942 -3.330 -8.980 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.228 -3.374 -10.250 1.00 0.15 C ATOM 1977 C ALA B 37 -5.767 -2.971 -10.080 1.00 0.17 C ATOM 1978 O ALA B 37 -4.882 -3.513 -10.745 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.913 -2.469 -11.261 1.00 0.21 C ATOM 0 H ALA B 37 -8.661 -2.609 -8.929 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.248 -4.400 -10.616 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.374 -2.507 -12.207 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.939 -2.805 -11.414 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.919 -1.445 -10.888 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.523 -2.020 -9.184 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.172 -1.541 -8.921 1.00 0.18 C ATOM 1987 C PHE B 38 -3.319 -2.642 -8.293 1.00 0.15 C ATOM 1988 O PHE B 38 -2.190 -2.881 -8.718 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.216 -0.315 -8.002 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.859 0.190 -7.606 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -1.989 0.694 -8.558 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -2.453 0.164 -6.282 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -0.739 1.160 -8.198 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -1.205 0.628 -5.915 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.345 1.127 -6.874 1.00 0.14 C ATOM 0 H PHE B 38 -6.246 -1.565 -8.627 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.718 -1.256 -9.870 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.760 0.485 -8.504 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.778 -0.566 -7.102 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.291 0.723 -9.594 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -3.121 -0.224 -5.527 1.00 0.28 H new ATOM 0 HE1 PHE B 38 -0.070 1.550 -8.951 1.00 0.36 H new ATOM 0 HE2 PHE B 38 -0.902 0.601 -4.879 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.632 1.490 -6.590 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.873 -3.316 -7.291 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.156 -4.389 -6.603 1.00 0.14 C ATOM 2007 C VAL B 39 -2.916 -5.561 -7.552 1.00 0.14 C ATOM 2008 O VAL B 39 -1.821 -6.134 -7.589 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.924 -4.879 -5.351 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -3.193 -6.038 -4.683 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -4.118 -3.742 -4.358 1.00 0.22 C ATOM 0 H VAL B 39 -4.813 -3.141 -6.936 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.198 -3.984 -6.276 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.903 -5.229 -5.677 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.752 -6.364 -3.806 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -3.105 -6.866 -5.386 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -2.198 -5.713 -4.378 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.660 -4.109 -3.486 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -3.145 -3.361 -4.047 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.688 -2.941 -4.829 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.936 -5.889 -8.337 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.854 -6.982 -9.300 1.00 0.21 C ATOM 2023 C ASP B 40 -2.716 -6.739 -10.290 1.00 0.27 C ATOM 2024 O ASP B 40 -1.974 -7.658 -10.636 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.175 -7.111 -10.061 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.244 -8.366 -10.910 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.570 -8.420 -11.962 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -5.986 -9.298 -10.536 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.836 -5.410 -8.325 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.658 -7.906 -8.756 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.000 -7.114 -9.349 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.308 -6.238 -10.700 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.587 -5.491 -10.729 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.542 -5.102 -11.676 1.00 0.37 C ATOM 2035 C ASP B 41 -0.152 -5.349 -11.098 1.00 0.32 C ATOM 2036 O ASP B 41 0.704 -5.954 -11.747 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.693 -3.618 -12.050 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.374 -2.972 -12.440 1.00 0.78 C ATOM 2039 OD1 ASP B 41 0.068 -3.159 -13.594 1.00 0.92 O ATOM 2040 OD2 ASP B 41 0.222 -2.274 -11.591 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.197 -4.725 -10.443 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.655 -5.715 -12.570 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.396 -3.526 -12.878 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.122 -3.077 -11.206 1.00 0.46 H new ATOM 2045 N LYS B 42 0.051 -4.909 -9.866 1.00 0.28 N ATOM 2046 CA LYS B 42 1.341 -5.046 -9.203 1.00 0.24 C ATOM 2047 C LYS B 42 1.770 -6.508 -9.073 1.00 0.20 C ATOM 2048 O LYS B 42 2.908 -6.856 -9.390 1.00 0.18 O ATOM 2049 CB LYS B 42 1.304 -4.370 -7.832 1.00 0.24 C ATOM 2050 CG LYS B 42 1.004 -2.875 -7.903 1.00 0.21 C ATOM 2051 CD LYS B 42 2.272 -2.029 -7.860 1.00 0.40 C ATOM 2052 CE LYS B 42 3.174 -2.276 -9.064 1.00 0.55 C ATOM 2053 NZ LYS B 42 2.556 -1.836 -10.349 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.665 -4.451 -9.301 1.00 0.28 H new ATOM 0 HA LYS B 42 2.085 -4.549 -9.826 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.548 -4.856 -7.215 1.00 0.24 H new ATOM 0 HB3 LYS B 42 2.263 -4.518 -7.336 1.00 0.24 H new ATOM 0 HG2 LYS B 42 0.457 -2.659 -8.821 1.00 0.21 H new ATOM 0 HG3 LYS B 42 0.356 -2.597 -7.072 1.00 0.21 H new ATOM 0 HD2 LYS B 42 2.001 -0.974 -7.822 1.00 0.40 H new ATOM 0 HD3 LYS B 42 2.822 -2.250 -6.945 1.00 0.40 H new ATOM 0 HE2 LYS B 42 4.117 -1.748 -8.920 1.00 0.55 H new ATOM 0 HE3 LYS B 42 3.409 -3.339 -9.124 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 3.149 -2.148 -11.144 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 1.608 -2.254 -10.439 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 2.480 -0.799 -10.360 1.00 0.48 H new ATOM 2067 N MET B 43 0.862 -7.371 -8.640 1.00 0.21 N ATOM 2068 CA MET B 43 1.190 -8.788 -8.478 1.00 0.19 C ATOM 2069 C MET B 43 1.138 -9.533 -9.807 1.00 0.17 C ATOM 2070 O MET B 43 1.376 -10.738 -9.861 1.00 0.18 O ATOM 2071 CB MET B 43 0.265 -9.459 -7.459 1.00 0.24 C ATOM 2072 CG MET B 43 -1.211 -9.295 -7.756 1.00 0.25 C ATOM 2073 SD MET B 43 -2.235 -10.383 -6.746 1.00 0.31 S ATOM 2074 CE MET B 43 -1.480 -10.165 -5.134 1.00 0.24 C ATOM 0 H MET B 43 -0.097 -7.124 -8.396 1.00 0.21 H new ATOM 0 HA MET B 43 2.212 -8.837 -8.102 1.00 0.19 H new ATOM 0 HB2 MET B 43 0.500 -10.523 -7.418 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.473 -9.048 -6.471 1.00 0.24 H new ATOM 0 HG2 MET B 43 -1.502 -8.259 -7.581 1.00 0.25 H new ATOM 0 HG3 MET B 43 -1.393 -9.503 -8.810 1.00 0.25 H new ATOM 0 HE1 MET B 43 -2.048 -10.720 -4.388 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.455 -10.535 -5.159 1.00 0.24 H new ATOM 0 HE3 MET B 43 -1.477 -9.107 -4.874 1.00 0.24 H new ATOM 2084 N HIS B 44 0.833 -8.816 -10.878 1.00 0.16 N ATOM 2085 CA HIS B 44 0.766 -9.421 -12.199 1.00 0.19 C ATOM 2086 C HIS B 44 2.080 -9.227 -12.947 1.00 0.25 C ATOM 2087 O HIS B 44 2.348 -9.910 -13.933 1.00 0.61 O ATOM 2088 CB HIS B 44 -0.388 -8.823 -13.005 1.00 0.26 C ATOM 2089 CG HIS B 44 -1.346 -9.850 -13.536 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -2.696 -9.853 -13.242 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -1.142 -10.912 -14.354 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -3.276 -10.870 -13.852 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -2.355 -11.526 -14.530 1.00 1.53 N ATOM 0 H HIS B 44 0.628 -7.817 -10.858 1.00 0.16 H new ATOM 0 HA HIS B 44 0.590 -10.489 -12.074 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.934 -8.120 -12.376 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.020 -8.253 -13.840 1.00 0.26 H new ATOM 0 HD1 HIS B 44 -3.171 -9.175 -12.646 1.00 0.54 H new ATOM 0 HD2 HIS B 44 -0.200 -11.217 -14.786 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -4.325 -11.122 -13.804 1.00 1.18 H new ATOM 2102 N GLU B 45 2.896 -8.295 -12.471 1.00 0.14 N ATOM 2103 CA GLU B 45 4.178 -8.011 -13.109 1.00 0.11 C ATOM 2104 C GLU B 45 5.354 -8.572 -12.306 1.00 0.07 C ATOM 2105 O GLU B 45 6.349 -9.012 -12.881 1.00 0.03 O ATOM 2106 CB GLU B 45 4.357 -6.500 -13.315 1.00 0.10 C ATOM 2107 CG GLU B 45 4.238 -5.677 -12.033 1.00 0.07 C ATOM 2108 CD GLU B 45 4.674 -4.238 -12.210 1.00 0.22 C ATOM 2109 OE1 GLU B 45 5.886 -3.995 -12.389 1.00 0.49 O ATOM 2110 OE2 GLU B 45 3.809 -3.337 -12.158 1.00 0.43 O1- ATOM 0 H GLU B 45 2.696 -7.725 -11.649 1.00 0.14 H new ATOM 0 HA GLU B 45 4.170 -8.507 -14.080 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.335 -6.318 -13.761 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.611 -6.151 -14.029 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.204 -5.698 -11.689 1.00 0.07 H new ATOM 0 HG3 GLU B 45 4.842 -6.140 -11.253 1.00 0.07 H new ATOM 2117 N PHE B 46 5.242 -8.573 -10.980 1.00 0.11 N ATOM 2118 CA PHE B 46 6.319 -9.068 -10.125 1.00 0.10 C ATOM 2119 C PHE B 46 6.374 -10.593 -10.110 1.00 0.10 C ATOM 2120 O PHE B 46 7.353 -11.184 -9.649 1.00 0.11 O ATOM 2121 CB PHE B 46 6.159 -8.531 -8.703 1.00 0.11 C ATOM 2122 CG PHE B 46 6.755 -7.168 -8.519 1.00 0.13 C ATOM 2123 CD1 PHE B 46 8.124 -7.014 -8.386 1.00 0.14 C ATOM 2124 CD2 PHE B 46 5.952 -6.039 -8.490 1.00 0.16 C ATOM 2125 CE1 PHE B 46 8.683 -5.763 -8.230 1.00 0.14 C ATOM 2126 CE2 PHE B 46 6.505 -4.784 -8.336 1.00 0.17 C ATOM 2127 CZ PHE B 46 7.873 -4.646 -8.203 1.00 0.15 C ATOM 0 H PHE B 46 4.421 -8.239 -10.476 1.00 0.11 H new ATOM 0 HA PHE B 46 7.260 -8.707 -10.540 1.00 0.10 H new ATOM 0 HB2 PHE B 46 5.099 -8.494 -8.452 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.628 -9.224 -8.004 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.763 -7.885 -8.405 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.882 -6.142 -8.589 1.00 0.16 H new ATOM 0 HE1 PHE B 46 9.753 -5.658 -8.129 1.00 0.14 H new ATOM 0 HE2 PHE B 46 5.869 -3.911 -8.319 1.00 0.17 H new ATOM 0 HZ PHE B 46 8.308 -3.665 -8.078 1.00 0.15 H new ATOM 2137 N SER B 47 5.338 -11.224 -10.643 1.00 0.09 N ATOM 2138 CA SER B 47 5.266 -12.675 -10.685 1.00 0.10 C ATOM 2139 C SER B 47 6.306 -13.247 -11.650 1.00 0.09 C ATOM 2140 O SER B 47 6.639 -14.431 -11.590 1.00 0.13 O ATOM 2141 CB SER B 47 3.856 -13.099 -11.093 1.00 0.13 C ATOM 2142 OG SER B 47 3.251 -12.106 -11.907 1.00 0.49 O ATOM 0 H SER B 47 4.533 -10.751 -11.054 1.00 0.09 H new ATOM 0 HA SER B 47 5.487 -13.071 -9.694 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.897 -14.045 -11.634 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.249 -13.267 -10.203 1.00 0.13 H new ATOM 0 HG SER B 47 2.628 -11.576 -11.367 1.00 0.49 H new ATOM 2148 N GLU B 48 6.838 -12.390 -12.515 1.00 0.13 N ATOM 2149 CA GLU B 48 7.835 -12.803 -13.494 1.00 0.12 C ATOM 2150 C GLU B 48 9.230 -12.868 -12.880 1.00 0.09 C ATOM 2151 O GLU B 48 10.138 -13.470 -13.451 1.00 0.07 O ATOM 2152 CB GLU B 48 7.838 -11.840 -14.679 1.00 0.15 C ATOM 2153 CG GLU B 48 6.543 -11.847 -15.467 1.00 0.17 C ATOM 2154 CD GLU B 48 6.172 -13.229 -15.955 1.00 0.71 C ATOM 2155 OE1 GLU B 48 6.801 -13.715 -16.918 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 5.261 -13.848 -15.371 1.00 1.67 O ATOM 0 H GLU B 48 6.593 -11.401 -12.557 1.00 0.13 H new ATOM 0 HA GLU B 48 7.569 -13.803 -13.836 1.00 0.12 H new ATOM 0 HB2 GLU B 48 8.028 -10.830 -14.316 1.00 0.15 H new ATOM 0 HB3 GLU B 48 8.661 -12.099 -15.345 1.00 0.15 H new ATOM 0 HG2 GLU B 48 5.739 -11.457 -14.843 1.00 0.17 H new ATOM 0 HG3 GLU B 48 6.637 -11.176 -16.321 1.00 0.17 H new ATOM 2163 N LYS B 49 9.398 -12.247 -11.721 1.00 0.10 N ATOM 2164 CA LYS B 49 10.692 -12.239 -11.048 1.00 0.10 C ATOM 2165 C LYS B 49 10.926 -13.543 -10.301 1.00 0.15 C ATOM 2166 O LYS B 49 12.015 -14.111 -10.367 1.00 0.23 O ATOM 2167 CB LYS B 49 10.788 -11.059 -10.082 1.00 0.09 C ATOM 2168 CG LYS B 49 10.638 -9.711 -10.761 1.00 0.12 C ATOM 2169 CD LYS B 49 11.477 -8.647 -10.075 1.00 0.05 C ATOM 2170 CE LYS B 49 11.313 -7.292 -10.745 1.00 1.11 C ATOM 2171 NZ LYS B 49 11.669 -7.335 -12.188 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.660 -11.744 -11.228 1.00 0.10 H new ATOM 0 HA LYS B 49 11.464 -12.135 -11.810 1.00 0.10 H new ATOM 0 HB2 LYS B 49 10.017 -11.161 -9.318 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.750 -11.095 -9.571 1.00 0.09 H new ATOM 0 HG2 LYS B 49 10.936 -9.793 -11.806 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.590 -9.412 -10.751 1.00 0.12 H new ATOM 0 HD2 LYS B 49 11.187 -8.573 -9.027 1.00 0.05 H new ATOM 0 HD3 LYS B 49 12.527 -8.940 -10.096 1.00 0.05 H new ATOM 0 HE2 LYS B 49 10.282 -6.957 -10.636 1.00 1.11 H new ATOM 0 HE3 LYS B 49 11.941 -6.559 -10.239 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 11.757 -6.365 -12.553 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 12.574 -7.833 -12.308 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 10.925 -7.837 -12.714 1.00 1.14 H new ATOM 2185 N GLN B 50 9.889 -14.008 -9.599 1.00 0.20 N ATOM 2186 CA GLN B 50 9.951 -15.248 -8.825 1.00 0.30 C ATOM 2187 C GLN B 50 11.117 -15.237 -7.834 1.00 0.13 C ATOM 2188 O GLN B 50 12.200 -15.745 -8.127 1.00 0.29 O ATOM 2189 CB GLN B 50 10.069 -16.453 -9.763 1.00 0.53 C ATOM 2190 CG GLN B 50 8.805 -16.719 -10.568 1.00 1.05 C ATOM 2191 CD GLN B 50 9.085 -17.440 -11.872 1.00 1.30 C ATOM 2192 OE1 GLN B 50 10.141 -17.262 -12.479 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.144 -18.260 -12.310 1.00 1.60 N ATOM 0 H GLN B 50 8.986 -13.536 -9.552 1.00 0.20 H new ATOM 0 HA GLN B 50 9.027 -15.327 -8.252 1.00 0.30 H new ATOM 0 HB2 GLN B 50 10.900 -16.290 -10.449 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.310 -17.339 -9.176 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.116 -17.314 -9.969 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.308 -15.772 -10.780 1.00 1.05 H new ATOM 0 HE21 GLN B 50 7.283 -18.379 -11.777 1.00 1.60 H new ATOM 0 HE22 GLN B 50 8.280 -18.773 -13.181 1.00 1.60 H new ATOM 2202 N PRO B 51 10.907 -14.667 -6.631 1.00 0.16 N ATOM 2203 CA PRO B 51 11.952 -14.595 -5.612 1.00 0.27 C ATOM 2204 C PRO B 51 12.276 -15.973 -5.052 1.00 0.20 C ATOM 2205 O PRO B 51 13.380 -16.485 -5.227 1.00 0.19 O ATOM 2206 CB PRO B 51 11.364 -13.703 -4.508 1.00 0.48 C ATOM 2207 CG PRO B 51 10.047 -13.205 -5.011 1.00 0.51 C ATOM 2208 CD PRO B 51 9.642 -14.078 -6.170 1.00 0.41 C ATOM 0 HA PRO B 51 12.883 -14.202 -6.021 1.00 0.27 H new ATOM 0 HB2 PRO B 51 11.237 -14.266 -3.583 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.033 -12.871 -4.286 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.296 -13.244 -4.222 1.00 0.51 H new ATOM 0 HG3 PRO B 51 10.126 -12.164 -5.325 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.933 -14.846 -5.862 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.161 -13.498 -6.958 1.00 0.41 H new ATOM 2216 N MET B 52 11.297 -16.572 -4.389 1.00 0.17 N ATOM 2217 CA MET B 52 11.463 -17.898 -3.810 1.00 0.11 C ATOM 2218 C MET B 52 10.587 -18.898 -4.548 1.00 0.09 C ATOM 2219 O MET B 52 10.506 -20.066 -4.167 1.00 0.08 O ATOM 2220 CB MET B 52 11.084 -17.885 -2.328 1.00 0.12 C ATOM 2221 CG MET B 52 11.781 -16.804 -1.528 1.00 0.18 C ATOM 2222 SD MET B 52 13.521 -17.173 -1.231 1.00 0.26 S ATOM 2223 CE MET B 52 13.386 -18.539 -0.076 1.00 0.43 C ATOM 0 H MET B 52 10.376 -16.159 -4.238 1.00 0.17 H new ATOM 0 HA MET B 52 12.509 -18.189 -3.906 1.00 0.11 H new ATOM 0 HB2 MET B 52 10.006 -17.751 -2.240 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.322 -18.856 -1.893 1.00 0.12 H new ATOM 0 HG2 MET B 52 11.700 -15.855 -2.059 1.00 0.18 H new ATOM 0 HG3 MET B 52 11.272 -16.679 -0.572 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.317 -18.638 0.481 1.00 0.43 H new ATOM 0 HE2 MET B 52 12.566 -18.350 0.617 1.00 0.43 H new ATOM 0 HE3 MET B 52 13.192 -19.461 -0.624 1.00 0.43 H new ATOM 2233 N LEU B 53 9.940 -18.418 -5.614 1.00 0.10 N ATOM 2234 CA LEU B 53 9.044 -19.239 -6.427 1.00 0.11 C ATOM 2235 C LEU B 53 7.827 -19.665 -5.617 1.00 0.08 C ATOM 2236 O LEU B 53 7.246 -20.725 -5.849 1.00 0.10 O ATOM 2237 CB LEU B 53 9.775 -20.461 -6.984 1.00 0.19 C ATOM 2238 CG LEU B 53 10.710 -20.160 -8.153 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.814 -21.197 -8.241 1.00 0.62 C ATOM 2240 CD2 LEU B 53 9.928 -20.110 -9.453 1.00 1.07 C ATOM 0 H LEU B 53 10.023 -17.453 -5.935 1.00 0.10 H new ATOM 0 HA LEU B 53 8.704 -18.637 -7.270 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.353 -20.920 -6.182 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.036 -21.195 -7.305 1.00 0.19 H new ATOM 0 HG LEU B 53 11.169 -19.186 -7.982 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.468 -20.962 -9.081 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.393 -21.191 -7.318 1.00 0.62 H new ATOM 0 HD13 LEU B 53 11.375 -22.184 -8.388 1.00 0.62 H new ATOM 0 HD21 LEU B 53 10.607 -19.895 -10.278 1.00 1.07 H new ATOM 0 HD22 LEU B 53 9.444 -21.071 -9.623 1.00 1.07 H new ATOM 0 HD23 LEU B 53 9.171 -19.328 -9.392 1.00 1.07 H new ATOM 2252 N ASP B 54 7.454 -18.821 -4.671 1.00 0.09 N ATOM 2253 CA ASP B 54 6.313 -19.071 -3.811 1.00 0.12 C ATOM 2254 C ASP B 54 5.288 -17.953 -3.959 1.00 0.10 C ATOM 2255 O ASP B 54 5.598 -16.874 -4.470 1.00 0.18 O ATOM 2256 CB ASP B 54 6.760 -19.168 -2.353 1.00 0.19 C ATOM 2257 CG ASP B 54 7.196 -17.827 -1.798 1.00 0.24 C ATOM 2258 OD1 ASP B 54 8.126 -17.217 -2.370 1.00 0.26 O ATOM 2259 OD2 ASP B 54 6.605 -17.379 -0.790 1.00 0.28 O1- ATOM 0 H ASP B 54 7.935 -17.942 -4.478 1.00 0.09 H new ATOM 0 HA ASP B 54 5.857 -20.016 -4.107 1.00 0.12 H new ATOM 0 HB2 ASP B 54 5.942 -19.561 -1.749 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.584 -19.877 -2.274 1.00 0.19 H new ATOM 2264 N VAL B 55 4.070 -18.219 -3.511 1.00 0.11 N ATOM 2265 CA VAL B 55 2.988 -17.241 -3.592 1.00 0.12 C ATOM 2266 C VAL B 55 3.056 -16.181 -2.472 1.00 0.08 C ATOM 2267 O VAL B 55 2.939 -14.991 -2.759 1.00 0.04 O ATOM 2268 CB VAL B 55 1.597 -17.917 -3.571 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.544 -16.994 -4.168 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.626 -19.246 -4.315 1.00 0.32 C ATOM 0 H VAL B 55 3.803 -19.107 -3.086 1.00 0.11 H new ATOM 0 HA VAL B 55 3.126 -16.736 -4.548 1.00 0.12 H new ATOM 0 HB VAL B 55 1.334 -18.116 -2.532 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.428 -17.487 -4.144 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.497 -16.072 -3.588 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.807 -16.761 -5.200 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.636 -19.701 -4.286 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.917 -19.076 -5.352 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.346 -19.913 -3.841 1.00 0.32 H new ATOM 2280 N PRO B 56 3.233 -16.580 -1.183 1.00 0.10 N ATOM 2281 CA PRO B 56 3.296 -15.624 -0.064 1.00 0.10 C ATOM 2282 C PRO B 56 4.297 -14.489 -0.274 1.00 0.07 C ATOM 2283 O PRO B 56 3.937 -13.317 -0.148 1.00 0.14 O ATOM 2284 CB PRO B 56 3.719 -16.488 1.124 1.00 0.14 C ATOM 2285 CG PRO B 56 3.214 -17.842 0.788 1.00 0.15 C ATOM 2286 CD PRO B 56 3.369 -17.972 -0.701 1.00 0.14 C ATOM 0 HA PRO B 56 2.340 -15.117 0.065 1.00 0.10 H new ATOM 0 HB2 PRO B 56 4.802 -16.487 1.252 1.00 0.14 H new ATOM 0 HB3 PRO B 56 3.288 -16.122 2.056 1.00 0.14 H new ATOM 0 HG2 PRO B 56 3.781 -18.613 1.310 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.172 -17.957 1.085 1.00 0.15 H new ATOM 0 HD2 PRO B 56 4.336 -18.397 -0.969 1.00 0.14 H new ATOM 0 HD3 PRO B 56 2.606 -18.622 -1.129 1.00 0.14 H new ATOM 2294 N LYS B 57 5.546 -14.835 -0.595 1.00 0.09 N ATOM 2295 CA LYS B 57 6.590 -13.829 -0.811 1.00 0.06 C ATOM 2296 C LYS B 57 6.200 -12.855 -1.912 1.00 0.07 C ATOM 2297 O LYS B 57 6.414 -11.650 -1.791 1.00 0.12 O ATOM 2298 CB LYS B 57 7.927 -14.479 -1.176 1.00 0.12 C ATOM 2299 CG LYS B 57 8.883 -14.646 -0.005 1.00 0.17 C ATOM 2300 CD LYS B 57 10.222 -13.983 -0.292 1.00 0.47 C ATOM 2301 CE LYS B 57 11.233 -14.261 0.810 1.00 0.23 C ATOM 2302 NZ LYS B 57 12.594 -13.780 0.451 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.859 -15.799 -0.711 1.00 0.09 H new ATOM 0 HA LYS B 57 6.700 -13.287 0.128 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.734 -15.458 -1.614 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.413 -13.876 -1.943 1.00 0.12 H new ATOM 0 HG2 LYS B 57 8.443 -14.211 0.892 1.00 0.17 H new ATOM 0 HG3 LYS B 57 9.035 -15.706 0.196 1.00 0.17 H new ATOM 0 HD2 LYS B 57 10.611 -14.345 -1.243 1.00 0.47 H new ATOM 0 HD3 LYS B 57 10.081 -12.907 -0.394 1.00 0.47 H new ATOM 0 HE2 LYS B 57 10.908 -13.776 1.731 1.00 0.23 H new ATOM 0 HE3 LYS B 57 11.268 -15.332 1.009 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 13.304 -14.457 0.797 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 12.671 -13.696 -0.583 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 12.760 -12.851 0.887 1.00 0.62 H new ATOM 2316 N LEU B 58 5.616 -13.387 -2.974 1.00 0.07 N ATOM 2317 CA LEU B 58 5.204 -12.576 -4.111 1.00 0.11 C ATOM 2318 C LEU B 58 4.098 -11.601 -3.709 1.00 0.11 C ATOM 2319 O LEU B 58 4.123 -10.426 -4.078 1.00 0.14 O ATOM 2320 CB LEU B 58 4.742 -13.500 -5.256 1.00 0.14 C ATOM 2321 CG LEU B 58 4.396 -12.846 -6.610 1.00 0.16 C ATOM 2322 CD1 LEU B 58 2.956 -12.352 -6.632 1.00 0.17 C ATOM 2323 CD2 LEU B 58 5.350 -11.709 -6.950 1.00 0.27 C ATOM 0 H LEU B 58 5.415 -14.382 -3.073 1.00 0.07 H new ATOM 0 HA LEU B 58 6.051 -11.983 -4.456 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.527 -14.236 -5.430 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.863 -14.046 -4.913 1.00 0.14 H new ATOM 0 HG LEU B 58 4.509 -13.617 -7.372 1.00 0.16 H new ATOM 0 HD11 LEU B 58 2.742 -11.896 -7.599 1.00 0.17 H new ATOM 0 HD12 LEU B 58 2.281 -13.192 -6.470 1.00 0.17 H new ATOM 0 HD13 LEU B 58 2.813 -11.614 -5.843 1.00 0.17 H new ATOM 0 HD21 LEU B 58 5.072 -11.276 -7.911 1.00 0.27 H new ATOM 0 HD22 LEU B 58 5.294 -10.943 -6.176 1.00 0.27 H new ATOM 0 HD23 LEU B 58 6.368 -12.093 -7.007 1.00 0.27 H new ATOM 2335 N ALA B 59 3.141 -12.092 -2.935 1.00 0.08 N ATOM 2336 CA ALA B 59 2.022 -11.276 -2.489 1.00 0.09 C ATOM 2337 C ALA B 59 2.481 -10.117 -1.606 1.00 0.14 C ATOM 2338 O ALA B 59 2.162 -8.958 -1.874 1.00 0.31 O ATOM 2339 CB ALA B 59 1.009 -12.142 -1.754 1.00 0.07 C ATOM 0 H ALA B 59 3.118 -13.056 -2.602 1.00 0.08 H new ATOM 0 HA ALA B 59 1.550 -10.842 -3.371 1.00 0.09 H new ATOM 0 HB1 ALA B 59 0.174 -11.524 -1.423 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.642 -12.920 -2.423 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.485 -12.603 -0.888 1.00 0.07 H new ATOM 2345 N VAL B 60 3.249 -10.425 -0.569 1.00 0.02 N ATOM 2346 CA VAL B 60 3.730 -9.397 0.358 1.00 0.05 C ATOM 2347 C VAL B 60 4.754 -8.468 -0.307 1.00 0.08 C ATOM 2348 O VAL B 60 4.886 -7.304 0.079 1.00 0.12 O ATOM 2349 CB VAL B 60 4.325 -10.017 1.650 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.469 -10.961 1.335 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.781 -8.932 2.618 1.00 0.13 C ATOM 0 H VAL B 60 3.554 -11.372 -0.345 1.00 0.02 H new ATOM 0 HA VAL B 60 2.861 -8.801 0.639 1.00 0.05 H new ATOM 0 HB VAL B 60 3.534 -10.594 2.128 1.00 0.07 H new ATOM 0 HG11 VAL B 60 5.863 -11.378 2.262 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.109 -11.769 0.698 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.259 -10.416 0.818 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.194 -9.394 3.515 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.545 -8.318 2.142 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.931 -8.307 2.891 1.00 0.13 H new ATOM 2361 N LEU B 61 5.455 -8.970 -1.322 1.00 0.08 N ATOM 2362 CA LEU B 61 6.448 -8.171 -2.035 1.00 0.11 C ATOM 2363 C LEU B 61 5.805 -6.925 -2.633 1.00 0.11 C ATOM 2364 O LEU B 61 6.379 -5.836 -2.604 1.00 0.13 O ATOM 2365 CB LEU B 61 7.109 -9.001 -3.140 1.00 0.13 C ATOM 2366 CG LEU B 61 8.312 -8.348 -3.826 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.479 -8.212 -2.857 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.724 -9.147 -5.052 1.00 0.17 C ATOM 0 H LEU B 61 5.354 -9.924 -1.668 1.00 0.08 H new ATOM 0 HA LEU B 61 7.212 -7.861 -1.322 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.428 -9.952 -2.714 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.359 -9.227 -3.898 1.00 0.13 H new ATOM 0 HG LEU B 61 8.020 -7.348 -4.148 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.322 -7.746 -3.366 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.179 -7.594 -2.011 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.772 -9.199 -2.499 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.580 -8.669 -5.527 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.994 -10.160 -4.752 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.893 -9.186 -5.757 1.00 0.17 H new ATOM 2380 N THR B 62 4.602 -7.088 -3.162 1.00 0.10 N ATOM 2381 CA THR B 62 3.884 -5.973 -3.753 1.00 0.09 C ATOM 2382 C THR B 62 3.332 -5.055 -2.667 1.00 0.09 C ATOM 2383 O THR B 62 3.331 -3.835 -2.814 1.00 0.08 O ATOM 2384 CB THR B 62 2.736 -6.459 -4.656 1.00 0.10 C ATOM 2385 OG1 THR B 62 1.773 -7.203 -3.897 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.272 -7.330 -5.777 1.00 0.12 C ATOM 0 H THR B 62 4.105 -7.978 -3.194 1.00 0.10 H new ATOM 0 HA THR B 62 4.592 -5.417 -4.368 1.00 0.09 H new ATOM 0 HB THR B 62 2.252 -5.580 -5.082 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.219 -7.642 -3.143 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.446 -7.664 -6.405 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.976 -6.756 -6.379 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.779 -8.197 -5.353 1.00 0.12 H new ATOM 2394 N ALA B 63 2.893 -5.657 -1.564 1.00 0.10 N ATOM 2395 CA ALA B 63 2.333 -4.915 -0.443 1.00 0.11 C ATOM 2396 C ALA B 63 3.323 -3.892 0.096 1.00 0.11 C ATOM 2397 O ALA B 63 2.984 -2.724 0.286 1.00 0.12 O ATOM 2398 CB ALA B 63 1.923 -5.872 0.668 1.00 0.10 C ATOM 0 H ALA B 63 2.916 -6.667 -1.425 1.00 0.10 H new ATOM 0 HA ALA B 63 1.454 -4.380 -0.803 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.506 -5.306 1.501 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.174 -6.568 0.291 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.796 -6.429 1.009 1.00 0.10 H new ATOM 2404 N VAL B 64 4.552 -4.334 0.328 1.00 0.09 N ATOM 2405 CA VAL B 64 5.580 -3.450 0.855 1.00 0.10 C ATOM 2406 C VAL B 64 5.963 -2.372 -0.164 1.00 0.12 C ATOM 2407 O VAL B 64 6.240 -1.231 0.208 1.00 0.12 O ATOM 2408 CB VAL B 64 6.830 -4.233 1.332 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.573 -4.874 0.170 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.752 -3.329 2.138 1.00 0.11 C ATOM 0 H VAL B 64 4.859 -5.292 0.161 1.00 0.09 H new ATOM 0 HA VAL B 64 5.156 -2.954 1.728 1.00 0.10 H new ATOM 0 HB VAL B 64 6.487 -5.041 1.978 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.442 -5.413 0.547 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.911 -5.569 -0.346 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.899 -4.100 -0.525 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.624 -3.896 2.464 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.075 -2.493 1.518 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.219 -2.950 3.010 1.00 0.11 H new ATOM 2420 N GLN B 65 5.951 -2.719 -1.447 1.00 0.15 N ATOM 2421 CA GLN B 65 6.283 -1.758 -2.489 1.00 0.19 C ATOM 2422 C GLN B 65 5.206 -0.679 -2.560 1.00 0.13 C ATOM 2423 O GLN B 65 5.506 0.514 -2.604 1.00 0.16 O ATOM 2424 CB GLN B 65 6.411 -2.451 -3.845 1.00 0.34 C ATOM 2425 CG GLN B 65 6.870 -1.513 -4.957 1.00 0.57 C ATOM 2426 CD GLN B 65 6.335 -1.917 -6.320 1.00 0.79 C ATOM 2427 OE1 GLN B 65 5.283 -2.546 -6.421 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.043 -1.545 -7.377 1.00 0.80 N ATOM 0 H GLN B 65 5.717 -3.652 -1.787 1.00 0.15 H new ATOM 0 HA GLN B 65 7.241 -1.300 -2.243 1.00 0.19 H new ATOM 0 HB2 GLN B 65 7.118 -3.276 -3.759 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.448 -2.884 -4.117 1.00 0.34 H new ATOM 0 HG2 GLN B 65 6.544 -0.498 -4.729 1.00 0.57 H new ATOM 0 HG3 GLN B 65 7.959 -1.498 -4.988 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.911 -1.024 -7.252 1.00 0.80 H new ATOM 0 HE22 GLN B 65 6.720 -1.780 -8.316 1.00 0.80 H new ATOM 2437 N ILE B 66 3.953 -1.122 -2.550 1.00 0.15 N ATOM 2438 CA ILE B 66 2.809 -0.221 -2.600 1.00 0.16 C ATOM 2439 C ILE B 66 2.842 0.754 -1.424 1.00 0.11 C ATOM 2440 O ILE B 66 2.645 1.959 -1.593 1.00 0.27 O ATOM 2441 CB ILE B 66 1.480 -1.017 -2.583 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.270 -1.721 -3.929 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.304 -0.105 -2.262 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.224 -2.820 -3.891 1.00 1.38 C ATOM 0 H ILE B 66 3.704 -2.110 -2.507 1.00 0.15 H new ATOM 0 HA ILE B 66 2.867 0.343 -3.531 1.00 0.16 H new ATOM 0 HB ILE B 66 1.540 -1.773 -1.800 1.00 0.27 H new ATOM 0 HG12 ILE B 66 0.978 -0.980 -4.674 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.218 -2.146 -4.257 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.617 -0.688 -2.256 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.453 0.349 -1.282 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.234 0.677 -3.018 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.133 -3.270 -4.880 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.523 -3.582 -3.172 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.736 -2.398 -3.594 1.00 1.38 H new ATOM 2456 N ALA B 67 3.116 0.220 -0.238 1.00 0.16 N ATOM 2457 CA ALA B 67 3.187 1.029 0.971 1.00 0.13 C ATOM 2458 C ALA B 67 4.267 2.101 0.845 1.00 0.06 C ATOM 2459 O ALA B 67 4.059 3.252 1.226 1.00 0.09 O ATOM 2460 CB ALA B 67 3.449 0.141 2.178 1.00 0.16 C ATOM 0 H ALA B 67 3.293 -0.774 -0.090 1.00 0.16 H new ATOM 0 HA ALA B 67 2.230 1.533 1.108 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.500 0.755 3.077 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.641 -0.583 2.279 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.394 -0.386 2.044 1.00 0.16 H new ATOM 2466 N SER B 68 5.409 1.716 0.288 1.00 0.08 N ATOM 2467 CA SER B 68 6.526 2.637 0.106 1.00 0.06 C ATOM 2468 C SER B 68 6.161 3.762 -0.865 1.00 0.16 C ATOM 2469 O SER B 68 6.404 4.941 -0.591 1.00 0.21 O ATOM 2470 CB SER B 68 7.751 1.880 -0.416 1.00 0.06 C ATOM 2471 OG SER B 68 8.047 0.755 0.396 1.00 0.28 O ATOM 0 H SER B 68 5.587 0.769 -0.047 1.00 0.08 H new ATOM 0 HA SER B 68 6.758 3.081 1.074 1.00 0.06 H new ATOM 0 HB2 SER B 68 7.570 1.554 -1.440 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.611 2.549 -0.441 1.00 0.06 H new ATOM 0 HG SER B 68 7.368 0.063 0.256 1.00 0.28 H new ATOM 2477 N GLU B 69 5.559 3.387 -1.990 1.00 0.26 N ATOM 2478 CA GLU B 69 5.167 4.344 -3.018 1.00 0.35 C ATOM 2479 C GLU B 69 4.174 5.379 -2.485 1.00 0.24 C ATOM 2480 O GLU B 69 4.199 6.539 -2.893 1.00 0.18 O ATOM 2481 CB GLU B 69 4.565 3.608 -4.218 1.00 0.52 C ATOM 2482 CG GLU B 69 5.582 2.827 -5.035 1.00 0.44 C ATOM 2483 CD GLU B 69 6.495 3.726 -5.844 1.00 1.20 C ATOM 2484 OE1 GLU B 69 6.107 4.130 -6.960 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 7.609 4.039 -5.373 1.00 1.71 O ATOM 0 H GLU B 69 5.331 2.418 -2.213 1.00 0.26 H new ATOM 0 HA GLU B 69 6.064 4.878 -3.331 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.795 2.923 -3.863 1.00 0.52 H new ATOM 0 HB3 GLU B 69 4.072 4.332 -4.866 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.184 2.212 -4.366 1.00 0.44 H new ATOM 0 HG3 GLU B 69 5.058 2.148 -5.708 1.00 0.44 H new ATOM 2492 N TYR B 70 3.303 4.968 -1.574 1.00 0.23 N ATOM 2493 CA TYR B 70 2.318 5.885 -1.015 1.00 0.15 C ATOM 2494 C TYR B 70 2.896 6.697 0.140 1.00 0.08 C ATOM 2495 O TYR B 70 2.524 7.855 0.343 1.00 0.12 O ATOM 2496 CB TYR B 70 1.072 5.124 -0.564 1.00 0.24 C ATOM 2497 CG TYR B 70 0.156 4.750 -1.703 1.00 0.32 C ATOM 2498 CD1 TYR B 70 -0.340 5.721 -2.565 1.00 0.57 C ATOM 2499 CD2 TYR B 70 -0.212 3.431 -1.923 1.00 0.75 C ATOM 2500 CE1 TYR B 70 -1.172 5.384 -3.613 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -1.045 3.087 -2.969 1.00 0.85 C ATOM 2502 CZ TYR B 70 -1.522 4.066 -3.812 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.342 3.727 -4.860 1.00 0.59 O ATOM 0 H TYR B 70 3.257 4.017 -1.209 1.00 0.23 H new ATOM 0 HA TYR B 70 2.036 6.585 -1.802 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.378 4.218 -0.040 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.521 5.735 0.151 1.00 0.24 H new ATOM 0 HD1 TYR B 70 -0.070 6.755 -2.412 1.00 0.57 H new ATOM 0 HD2 TYR B 70 0.159 2.660 -1.265 1.00 0.75 H new ATOM 0 HE1 TYR B 70 -1.548 6.150 -4.275 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -1.321 2.055 -3.125 1.00 0.85 H new ATOM 0 HH TYR B 70 -2.085 2.847 -5.205 1.00 0.59 H new ATOM 2513 N LEU B 71 3.816 6.101 0.887 1.00 0.09 N ATOM 2514 CA LEU B 71 4.436 6.792 2.014 1.00 0.17 C ATOM 2515 C LEU B 71 5.301 7.947 1.520 1.00 0.22 C ATOM 2516 O LEU B 71 5.399 8.986 2.175 1.00 0.26 O ATOM 2517 CB LEU B 71 5.258 5.828 2.877 1.00 0.24 C ATOM 2518 CG LEU B 71 4.554 5.385 4.176 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.141 4.090 4.727 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.634 6.482 5.233 1.00 0.32 C ATOM 0 H LEU B 71 4.149 5.149 0.736 1.00 0.09 H new ATOM 0 HA LEU B 71 3.640 7.197 2.639 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.497 4.943 2.287 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.204 6.305 3.134 1.00 0.24 H new ATOM 0 HG LEU B 71 3.509 5.201 3.928 1.00 0.27 H new ATOM 0 HD11 LEU B 71 4.617 3.813 5.642 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.027 3.296 3.989 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.199 4.234 4.944 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.131 6.149 6.141 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.679 6.698 5.455 1.00 0.32 H new ATOM 0 HD23 LEU B 71 4.149 7.384 4.859 1.00 0.32 H new ATOM 2532 N LYS B 72 5.926 7.767 0.361 1.00 0.23 N ATOM 2533 CA LYS B 72 6.753 8.816 -0.225 1.00 0.27 C ATOM 2534 C LYS B 72 5.859 9.917 -0.797 1.00 0.24 C ATOM 2535 O LYS B 72 6.274 11.067 -0.933 1.00 0.29 O ATOM 2536 CB LYS B 72 7.655 8.249 -1.331 1.00 0.31 C ATOM 2537 CG LYS B 72 6.904 7.929 -2.616 1.00 0.38 C ATOM 2538 CD LYS B 72 7.811 7.363 -3.696 1.00 0.40 C ATOM 2539 CE LYS B 72 7.070 7.252 -5.019 1.00 0.52 C ATOM 2540 NZ LYS B 72 7.886 6.581 -6.065 1.00 0.58 N1+ ATOM 0 H LYS B 72 5.876 6.909 -0.189 1.00 0.23 H new ATOM 0 HA LYS B 72 7.389 9.232 0.556 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.445 8.967 -1.550 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.139 7.343 -0.966 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.111 7.213 -2.401 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.424 8.834 -2.987 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.685 8.003 -3.816 1.00 0.40 H new ATOM 0 HD3 LYS B 72 8.175 6.381 -3.394 1.00 0.40 H new ATOM 0 HE2 LYS B 72 6.145 6.695 -4.870 1.00 0.52 H new ATOM 0 HE3 LYS B 72 6.791 8.248 -5.362 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 7.335 6.512 -6.944 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 8.749 7.134 -6.240 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.146 5.627 -5.744 1.00 0.58 H new ATOM 2554 N LEU B 73 4.621 9.555 -1.119 1.00 0.17 N ATOM 2555 CA LEU B 73 3.667 10.498 -1.682 1.00 0.14 C ATOM 2556 C LEU B 73 3.191 11.465 -0.604 1.00 0.11 C ATOM 2557 O LEU B 73 3.196 12.679 -0.801 1.00 0.09 O ATOM 2558 CB LEU B 73 2.478 9.742 -2.304 1.00 0.13 C ATOM 2559 CG LEU B 73 1.646 10.490 -3.365 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.818 11.605 -2.740 1.00 0.08 C ATOM 2561 CD2 LEU B 73 2.530 11.047 -4.472 1.00 0.15 C ATOM 0 H LEU B 73 4.256 8.610 -0.998 1.00 0.17 H new ATOM 0 HA LEU B 73 4.155 11.073 -2.469 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.859 8.827 -2.757 1.00 0.13 H new ATOM 0 HB3 LEU B 73 1.808 9.444 -1.498 1.00 0.13 H new ATOM 0 HG LEU B 73 0.963 9.764 -3.805 1.00 0.12 H new ATOM 0 HD11 LEU B 73 0.244 12.111 -3.516 1.00 0.08 H new ATOM 0 HD12 LEU B 73 0.136 11.182 -2.002 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.480 12.321 -2.253 1.00 0.08 H new ATOM 0 HD21 LEU B 73 1.912 11.568 -5.203 1.00 0.15 H new ATOM 0 HD22 LEU B 73 3.252 11.743 -4.045 1.00 0.15 H new ATOM 0 HD23 LEU B 73 3.059 10.229 -4.961 1.00 0.15 H new ATOM 2573 N LYS B 74 2.799 10.929 0.546 1.00 0.11 N ATOM 2574 CA LYS B 74 2.331 11.771 1.641 1.00 0.10 C ATOM 2575 C LYS B 74 3.485 12.586 2.221 1.00 0.13 C ATOM 2576 O LYS B 74 3.272 13.582 2.911 1.00 0.13 O ATOM 2577 CB LYS B 74 1.653 10.942 2.736 1.00 0.12 C ATOM 2578 CG LYS B 74 2.612 10.121 3.585 1.00 0.20 C ATOM 2579 CD LYS B 74 1.886 9.355 4.685 1.00 0.28 C ATOM 2580 CE LYS B 74 1.470 10.258 5.839 1.00 0.32 C ATOM 2581 NZ LYS B 74 2.632 10.921 6.488 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.795 9.928 0.744 1.00 0.11 H new ATOM 0 HA LYS B 74 1.587 12.458 1.237 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.092 11.612 3.388 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.931 10.270 2.272 1.00 0.12 H new ATOM 0 HG2 LYS B 74 3.150 9.419 2.948 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.356 10.780 4.032 1.00 0.20 H new ATOM 0 HD2 LYS B 74 1.002 8.873 4.267 1.00 0.28 H new ATOM 0 HD3 LYS B 74 2.533 8.563 5.061 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.780 11.018 5.472 1.00 0.32 H new ATOM 0 HE3 LYS B 74 0.930 9.669 6.581 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 2.624 10.715 7.507 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.514 10.564 6.069 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 2.571 11.949 6.342 1.00 0.43 H new ATOM 2595 N GLU B 75 4.707 12.159 1.927 1.00 0.17 N ATOM 2596 CA GLU B 75 5.891 12.859 2.396 1.00 0.20 C ATOM 2597 C GLU B 75 5.977 14.229 1.733 1.00 0.16 C ATOM 2598 O GLU B 75 6.139 15.245 2.409 1.00 0.20 O ATOM 2599 CB GLU B 75 7.145 12.041 2.090 1.00 0.27 C ATOM 2600 CG GLU B 75 8.436 12.679 2.578 1.00 0.36 C ATOM 2601 CD GLU B 75 8.520 12.749 4.090 1.00 0.45 C ATOM 2602 OE1 GLU B 75 8.120 11.773 4.759 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 8.996 13.777 4.617 1.00 0.55 O ATOM 0 H GLU B 75 4.902 11.330 1.365 1.00 0.17 H new ATOM 0 HA GLU B 75 5.821 12.992 3.476 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.044 11.056 2.546 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.212 11.888 1.013 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.284 12.110 2.197 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.517 13.685 2.167 1.00 0.36 H new ATOM 2610 N GLU B 76 5.834 14.255 0.407 1.00 0.13 N ATOM 2611 CA GLU B 76 5.897 15.509 -0.341 1.00 0.11 C ATOM 2612 C GLU B 76 4.748 16.427 0.066 1.00 0.08 C ATOM 2613 O GLU B 76 4.875 17.652 0.022 1.00 0.08 O ATOM 2614 CB GLU B 76 5.872 15.259 -1.856 1.00 0.17 C ATOM 2615 CG GLU B 76 4.486 14.983 -2.426 1.00 0.18 C ATOM 2616 CD GLU B 76 4.300 15.542 -3.824 1.00 0.21 C ATOM 2617 OE1 GLU B 76 4.630 14.832 -4.799 1.00 0.20 O ATOM 2618 OE2 GLU B 76 3.824 16.691 -3.952 1.00 0.34 O1- ATOM 0 H GLU B 76 5.675 13.427 -0.167 1.00 0.13 H new ATOM 0 HA GLU B 76 6.841 15.996 -0.099 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.293 16.128 -2.362 1.00 0.17 H new ATOM 0 HB3 GLU B 76 6.520 14.412 -2.083 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.314 13.907 -2.445 1.00 0.18 H new ATOM 0 HG3 GLU B 76 3.734 15.414 -1.765 1.00 0.18 H new ATOM 2625 N TYR B 77 3.640 15.821 0.484 1.00 0.07 N ATOM 2626 CA TYR B 77 2.468 16.569 0.912 1.00 0.11 C ATOM 2627 C TYR B 77 2.813 17.470 2.091 1.00 0.13 C ATOM 2628 O TYR B 77 2.424 18.635 2.136 1.00 0.22 O ATOM 2629 CB TYR B 77 1.339 15.607 1.297 1.00 0.13 C ATOM 2630 CG TYR B 77 0.137 16.287 1.921 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.459 17.375 1.305 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -0.395 15.847 3.128 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -1.550 18.007 1.863 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -1.486 16.476 3.697 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.060 17.556 3.058 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.140 18.196 3.624 1.00 0.23 O ATOM 0 H TYR B 77 3.532 14.808 0.534 1.00 0.07 H new ATOM 0 HA TYR B 77 2.133 17.193 0.083 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.017 15.066 0.407 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.729 14.867 1.996 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.061 17.736 0.368 1.00 0.12 H new ATOM 0 HD2 TYR B 77 0.051 15.001 3.629 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -2.002 18.852 1.364 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -1.887 16.124 4.636 1.00 0.25 H new ATOM 0 HH TYR B 77 -3.378 17.754 4.465 1.00 0.23 H new ATOM 2646 N GLN B 78 3.550 16.923 3.043 1.00 0.22 N ATOM 2647 CA GLN B 78 3.952 17.673 4.219 1.00 0.30 C ATOM 2648 C GLN B 78 5.135 18.581 3.902 1.00 0.37 C ATOM 2649 O GLN B 78 5.221 19.702 4.401 1.00 0.84 O ATOM 2650 CB GLN B 78 4.310 16.714 5.354 1.00 0.28 C ATOM 2651 CG GLN B 78 3.115 15.947 5.899 1.00 0.17 C ATOM 2652 CD GLN B 78 3.513 14.712 6.687 1.00 0.26 C ATOM 2653 OE1 GLN B 78 2.766 13.734 6.752 1.00 0.53 O ATOM 2654 NE2 GLN B 78 4.696 14.739 7.282 1.00 0.24 N ATOM 0 H GLN B 78 3.883 15.959 3.023 1.00 0.22 H new ATOM 0 HA GLN B 78 3.116 18.298 4.533 1.00 0.30 H new ATOM 0 HB2 GLN B 78 5.056 16.004 4.997 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.770 17.279 6.165 1.00 0.28 H new ATOM 0 HG2 GLN B 78 2.528 16.606 6.539 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.471 15.651 5.071 1.00 0.17 H new ATOM 0 HE21 GLN B 78 5.287 15.567 7.205 1.00 0.24 H new ATOM 0 HE22 GLN B 78 5.016 13.932 7.817 1.00 0.24 H new ATOM 2663 N ARG B 79 6.022 18.099 3.039 1.00 0.28 N ATOM 2664 CA ARG B 79 7.219 18.846 2.663 1.00 0.30 C ATOM 2665 C ARG B 79 6.899 20.153 1.939 1.00 0.27 C ATOM 2666 O ARG B 79 7.450 21.201 2.272 1.00 0.23 O ATOM 2667 CB ARG B 79 8.125 17.992 1.781 1.00 0.34 C ATOM 2668 CG ARG B 79 8.764 16.823 2.511 1.00 0.63 C ATOM 2669 CD ARG B 79 9.312 17.242 3.866 1.00 0.85 C ATOM 2670 NE ARG B 79 10.364 16.339 4.326 1.00 1.45 N ATOM 2671 CZ ARG B 79 11.418 16.731 5.035 1.00 1.28 C ATOM 2672 NH1 ARG B 79 11.485 17.974 5.500 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 12.386 15.867 5.317 1.00 2.05 N ATOM 0 H ARG B 79 5.935 17.190 2.584 1.00 0.28 H new ATOM 0 HA ARG B 79 7.729 19.099 3.593 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.544 17.611 0.941 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.911 18.622 1.365 1.00 0.34 H new ATOM 0 HG2 ARG B 79 8.028 16.030 2.645 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.570 16.410 1.904 1.00 0.63 H new ATOM 0 HD2 ARG B 79 9.706 18.256 3.801 1.00 0.85 H new ATOM 0 HD3 ARG B 79 8.503 17.260 4.596 1.00 0.85 H new ATOM 0 HE ARG B 79 10.285 15.350 4.089 1.00 1.45 H new ATOM 0 HH11 ARG B 79 10.727 18.630 5.313 1.00 0.73 H new ATOM 0 HH12 ARG B 79 12.295 18.272 6.044 1.00 0.73 H new ATOM 0 HH21 ARG B 79 12.321 14.903 4.990 1.00 2.05 H new ATOM 0 HH22 ARG B 79 13.195 16.167 5.861 1.00 2.05 H new ATOM 2687 N LEU B 80 6.013 20.099 0.954 1.00 0.30 N ATOM 2688 CA LEU B 80 5.670 21.298 0.194 1.00 0.28 C ATOM 2689 C LEU B 80 4.819 22.256 1.027 1.00 0.23 C ATOM 2690 O LEU B 80 4.806 23.460 0.780 1.00 0.28 O ATOM 2691 CB LEU B 80 4.967 20.939 -1.126 1.00 0.31 C ATOM 2692 CG LEU B 80 3.462 21.227 -1.186 1.00 0.48 C ATOM 2693 CD1 LEU B 80 3.029 21.546 -2.610 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.671 20.048 -0.650 1.00 0.44 C ATOM 0 H LEU B 80 5.524 19.252 0.664 1.00 0.30 H new ATOM 0 HA LEU B 80 6.601 21.809 -0.053 1.00 0.28 H new ATOM 0 HB2 LEU B 80 5.454 21.485 -1.934 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.122 19.878 -1.320 1.00 0.31 H new ATOM 0 HG LEU B 80 3.260 22.096 -0.561 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.958 21.747 -2.628 1.00 0.79 H new ATOM 0 HD12 LEU B 80 3.569 22.423 -2.967 1.00 0.79 H new ATOM 0 HD13 LEU B 80 3.250 20.697 -3.256 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.605 20.272 -0.701 1.00 0.44 H new ATOM 0 HD22 LEU B 80 2.885 19.163 -1.250 1.00 0.44 H new ATOM 0 HD23 LEU B 80 2.953 19.861 0.386 1.00 0.44 H new ATOM 2706 N ARG B 81 4.125 21.725 2.028 1.00 0.20 N ATOM 2707 CA ARG B 81 3.286 22.556 2.881 1.00 0.15 C ATOM 2708 C ARG B 81 4.130 23.306 3.910 1.00 0.15 C ATOM 2709 O ARG B 81 3.936 24.502 4.132 1.00 0.43 O ATOM 2710 CB ARG B 81 2.223 21.716 3.584 1.00 0.22 C ATOM 2711 CG ARG B 81 1.049 21.340 2.688 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.106 20.750 3.488 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.240 21.364 4.814 1.00 1.05 N ATOM 2714 CZ ARG B 81 -1.038 20.902 5.779 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -1.811 19.843 5.570 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -1.082 21.517 6.954 1.00 2.12 N ATOM 0 H ARG B 81 4.127 20.733 2.266 1.00 0.20 H new ATOM 0 HA ARG B 81 2.785 23.286 2.245 1.00 0.15 H new ATOM 0 HB2 ARG B 81 2.685 20.805 3.964 1.00 0.22 H new ATOM 0 HB3 ARG B 81 1.849 22.267 4.447 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.705 22.223 2.150 1.00 0.32 H new ATOM 0 HG3 ARG B 81 1.379 20.619 1.940 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.035 20.884 2.933 1.00 0.65 H new ATOM 0 HD3 ARG B 81 0.045 19.677 3.601 1.00 0.65 H new ATOM 0 HE ARG B 81 0.313 22.198 5.011 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -1.799 19.374 4.665 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.417 19.499 6.315 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -0.506 22.342 7.119 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -1.692 21.164 7.692 1.00 2.12 H new ATOM 2730 N GLU B 82 5.083 22.606 4.522 1.00 0.39 N ATOM 2731 CA GLU B 82 5.959 23.216 5.521 1.00 0.44 C ATOM 2732 C GLU B 82 6.941 24.187 4.873 1.00 0.34 C ATOM 2733 O GLU B 82 7.619 24.954 5.557 1.00 0.27 O ATOM 2734 CB GLU B 82 6.730 22.143 6.287 1.00 0.69 C ATOM 2735 CG GLU B 82 7.771 21.418 5.448 1.00 0.48 C ATOM 2736 CD GLU B 82 8.500 20.342 6.226 1.00 0.92 C ATOM 2737 OE1 GLU B 82 7.996 19.930 7.293 1.00 1.27 O ATOM 2738 OE2 GLU B 82 9.584 19.911 5.777 1.00 1.70 O1- ATOM 0 H GLU B 82 5.268 21.619 4.345 1.00 0.39 H new ATOM 0 HA GLU B 82 5.329 23.770 6.217 1.00 0.44 H new ATOM 0 HB2 GLU B 82 7.224 22.604 7.142 1.00 0.69 H new ATOM 0 HB3 GLU B 82 6.023 21.413 6.682 1.00 0.69 H new ATOM 0 HG2 GLU B 82 7.285 20.969 4.582 1.00 0.48 H new ATOM 0 HG3 GLU B 82 8.494 22.140 5.069 1.00 0.48 H new ATOM 2745 N GLN B 83 7.017 24.144 3.553 1.00 0.35 N ATOM 2746 CA GLN B 83 7.909 25.020 2.811 1.00 0.31 C ATOM 2747 C GLN B 83 7.281 26.404 2.642 1.00 0.28 C ATOM 2748 O GLN B 83 7.963 27.369 2.303 1.00 0.30 O ATOM 2749 CB GLN B 83 8.215 24.406 1.443 1.00 0.36 C ATOM 2750 CG GLN B 83 9.412 25.025 0.735 1.00 0.39 C ATOM 2751 CD GLN B 83 9.681 24.398 -0.623 1.00 0.29 C ATOM 2752 OE1 GLN B 83 10.117 25.073 -1.554 1.00 0.45 O ATOM 2753 NE2 GLN B 83 9.432 23.102 -0.743 1.00 0.89 N ATOM 0 H GLN B 83 6.470 23.509 2.971 1.00 0.35 H new ATOM 0 HA GLN B 83 8.839 25.131 3.368 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.394 23.338 1.568 1.00 0.36 H new ATOM 0 HB3 GLN B 83 7.337 24.510 0.806 1.00 0.36 H new ATOM 0 HG2 GLN B 83 9.241 26.094 0.609 1.00 0.39 H new ATOM 0 HG3 GLN B 83 10.296 24.915 1.363 1.00 0.39 H new ATOM 0 HE21 GLN B 83 9.071 22.576 0.053 1.00 0.89 H new ATOM 0 HE22 GLN B 83 9.602 22.630 -1.631 1.00 0.89 H new ATOM 2762 N LEU B 84 5.981 26.493 2.900 1.00 0.27 N ATOM 2763 CA LEU B 84 5.263 27.759 2.764 1.00 0.26 C ATOM 2764 C LEU B 84 5.414 28.617 4.014 1.00 0.19 C ATOM 2765 O LEU B 84 5.249 29.838 3.964 1.00 0.26 O ATOM 2766 CB LEU B 84 3.774 27.515 2.476 1.00 0.39 C ATOM 2767 CG LEU B 84 3.303 27.850 1.049 1.00 0.50 C ATOM 2768 CD1 LEU B 84 3.456 29.338 0.753 1.00 0.62 C ATOM 2769 CD2 LEU B 84 4.059 27.019 0.018 1.00 1.24 C ATOM 0 H LEU B 84 5.403 25.709 3.203 1.00 0.27 H new ATOM 0 HA LEU B 84 5.702 28.294 1.922 1.00 0.26 H new ATOM 0 HB2 LEU B 84 3.552 26.466 2.675 1.00 0.39 H new ATOM 0 HB3 LEU B 84 3.186 28.104 3.180 1.00 0.39 H new ATOM 0 HG LEU B 84 2.244 27.600 0.983 1.00 0.50 H new ATOM 0 HD11 LEU B 84 3.115 29.544 -0.262 1.00 0.62 H new ATOM 0 HD12 LEU B 84 2.858 29.913 1.460 1.00 0.62 H new ATOM 0 HD13 LEU B 84 4.504 29.622 0.849 1.00 0.62 H new ATOM 0 HD21 LEU B 84 3.709 27.274 -0.982 1.00 1.24 H new ATOM 0 HD22 LEU B 84 5.126 27.229 0.093 1.00 1.24 H new ATOM 0 HD23 LEU B 84 3.884 25.960 0.205 1.00 1.24 H new ATOM 2781 N LYS B 85 5.719 27.984 5.136 1.00 0.35 N ATOM 2782 CA LYS B 85 5.891 28.715 6.382 1.00 0.59 C ATOM 2783 C LYS B 85 7.359 29.076 6.573 1.00 0.72 C ATOM 2784 O LYS B 85 8.220 28.617 5.821 1.00 0.98 O ATOM 2785 CB LYS B 85 5.377 27.908 7.579 1.00 0.69 C ATOM 2786 CG LYS B 85 6.150 26.624 7.839 1.00 0.66 C ATOM 2787 CD LYS B 85 6.049 26.194 9.295 1.00 0.84 C ATOM 2788 CE LYS B 85 4.638 25.755 9.662 1.00 1.01 C ATOM 2789 NZ LYS B 85 4.555 25.295 11.070 1.00 1.80 N1+ ATOM 0 H LYS B 85 5.852 26.975 5.210 1.00 0.35 H new ATOM 0 HA LYS B 85 5.302 29.630 6.324 1.00 0.59 H new ATOM 0 HB2 LYS B 85 5.421 28.533 8.471 1.00 0.69 H new ATOM 0 HB3 LYS B 85 4.328 27.661 7.414 1.00 0.69 H new ATOM 0 HG2 LYS B 85 5.766 25.831 7.197 1.00 0.66 H new ATOM 0 HG3 LYS B 85 7.197 26.769 7.574 1.00 0.66 H new ATOM 0 HD2 LYS B 85 6.744 25.375 9.480 1.00 0.84 H new ATOM 0 HD3 LYS B 85 6.351 27.020 9.939 1.00 0.84 H new ATOM 0 HE2 LYS B 85 3.947 26.584 9.509 1.00 1.01 H new ATOM 0 HE3 LYS B 85 4.323 24.951 8.997 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 3.580 25.004 11.283 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 5.195 24.488 11.210 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 4.832 26.070 11.705 1.00 1.80 H new ATOM 2803 N LYS B 86 7.641 29.907 7.559 1.00 0.59 N ATOM 2804 CA LYS B 86 9.005 30.317 7.833 1.00 0.82 C ATOM 2805 C LYS B 86 9.465 29.751 9.167 1.00 0.82 C ATOM 2806 O LYS B 86 8.957 30.204 10.214 1.00 1.02 O ATOM 2807 CB LYS B 86 9.108 31.843 7.828 1.00 1.00 C ATOM 2808 CG LYS B 86 10.503 32.353 7.518 1.00 1.09 C ATOM 2809 CD LYS B 86 10.512 33.855 7.296 1.00 1.23 C ATOM 2810 CE LYS B 86 11.907 34.352 6.965 1.00 1.10 C ATOM 2811 NZ LYS B 86 12.864 34.097 8.074 1.00 0.86 N1+ ATOM 0 H LYS B 86 6.943 30.311 8.184 1.00 0.59 H new ATOM 0 HA LYS B 86 9.656 29.926 7.051 1.00 0.82 H new ATOM 0 HB2 LYS B 86 8.411 32.244 7.092 1.00 1.00 H new ATOM 0 HB3 LYS B 86 8.798 32.224 8.801 1.00 1.00 H new ATOM 0 HG2 LYS B 86 11.174 32.102 8.340 1.00 1.09 H new ATOM 0 HG3 LYS B 86 10.886 31.851 6.629 1.00 1.09 H new ATOM 0 HD2 LYS B 86 9.830 34.109 6.484 1.00 1.23 H new ATOM 0 HD3 LYS B 86 10.146 34.360 8.190 1.00 1.23 H new ATOM 0 HE2 LYS B 86 12.262 33.861 6.059 1.00 1.10 H new ATOM 0 HE3 LYS B 86 11.871 35.421 6.755 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 13.738 34.637 7.910 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 12.438 34.394 8.975 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 13.087 33.082 8.114 1.00 0.86 H new TER 2825 LYS B 86