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 28 SER OG : rot -90:sc= 0.401 USER MOD Set 1.2: B 31 HIS : no HE2:sc= -1.4 K(o=-0.99,f=-8!) USER MOD Set 2.1: B 17 TYR OH : rot 27:sc= 0.455 USER MOD Set 2.2: B 47 SER OG : rot 68:sc= 1.66 USER MOD Set 3.1: A 74 LYS NZ :NH3+ -105:sc= 0.322 (180deg=0) USER MOD Set 3.2: B 70 TYR OH : rot 130:sc= 0.284 USER MOD Set 4.1: A 70 TYR OH : rot 180:sc= 0.932 USER MOD Set 4.2: B 74 LYS NZ :NH3+ 135:sc= 1.29 (180deg=0) USER MOD Set 5.1: A 65 GLN : amide:sc= -1.9! C(o=-1.5!,f=-5.3!) USER MOD Set 5.2: A 68 SER OG : rot -105:sc= 0.366 USER MOD Set 6.1: A 57 LYS NZ :NH3+ 141:sc= 0.906 (180deg=-1.08) USER MOD Set 6.2: B 19 GLN : amide:sc= 0.967 K(o=1.3,f=-8!) USER MOD Set 6.3: B 21 TYR OH : rot 108:sc= -0.535 USER MOD Set 7.1: A 17 TYR OH : rot 39:sc= 1.02 USER MOD Set 7.2: A 47 SER OG : rot 80:sc= 2.11 USER MOD Set 8.1: A 28 SER OG : rot 146:sc= 0.784 USER MOD Set 8.2: A 31 HIS : no HD1:sc= 0.532! C(o=1.3!,f=-15!) USER MOD Set 9.1: A 13 SER OG : rot -75:sc= 1.16 USER MOD Set 9.2: A 22 THR OG1 : rot 180:sc= 0.994 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= -0.279 X(o=-0.28,f=0.03) USER MOD Single : A 4 MET CE :methyl 158:sc= -0.109 (180deg=-0.62) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0336) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.1!) USER MOD Single : A 21 TYR OH : rot 90:sc= 0.312 USER MOD Single : A 42 LYS NZ :NH3+ -134:sc= 1.15 (180deg=-0.316) USER MOD Single : A 43 MET CE :methyl 154:sc= 0 (180deg=-0.395) USER MOD Single : A 44 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.6!) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 1.86 (180deg=1.73) USER MOD Single : A 50 GLN : amide:sc= 0.564 K(o=0.56,f=-1.2) USER MOD Single : A 52 MET CE :methyl 171:sc= 0 (180deg=-0.0967) USER MOD Single : A 62 THR OG1 : rot -62:sc= 1.16 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 85 LYS NZ :NH3+ -138:sc= 1.16 (180deg=0.81) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc=-0.000705 (180deg=-0.0677) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 MET CE :methyl 159:sc= -0.0717 (180deg=-0.521) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ -162:sc= -0.0502 (180deg=-0.317) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0.0594 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : B 42 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.1) USER MOD Single : B 43 MET CE :methyl -127:sc= -0.163 (180deg=-1.05) USER MOD Single : B 44 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.102) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 168:sc= 1.06 (180deg=0.923) USER MOD Single : B 62 THR OG1 : rot 76:sc= 1.18 USER MOD Single : B 65 GLN : amide:sc= -2.45! C(o=-2.4!,f=-8!) USER MOD Single : B 68 SER OG : rot -100:sc= 1.07 USER MOD Single : B 72 LYS NZ :NH3+ 166:sc= 1.3 (180deg=1.16) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 GLN : amide:sc= -0.0196 K(o=-0.02,f=-11!) USER MOD Single : B 83 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.7!) USER MOD Single : B 85 LYS NZ :NH3+ 149:sc= 1.06 (180deg=0.138) USER MOD Single : B 86 LYS NZ :NH3+ -170:sc=-0.00777 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 40.996 -1.951 -12.491 1.00 0.23 N ATOM 2 CA GLY A 1 39.575 -1.550 -12.590 1.00 0.52 C ATOM 3 C GLY A 1 39.384 -0.074 -12.314 1.00 0.32 C ATOM 4 O GLY A 1 39.670 0.401 -11.213 1.00 0.19 O ATOM 0 H1 GLY A 1 41.084 -2.969 -12.687 1.00 0.23 H new ATOM 0 H2 GLY A 1 41.557 -1.415 -13.184 1.00 0.23 H new ATOM 0 H3 GLY A 1 41.347 -1.751 -11.533 1.00 0.23 H new ATOM 0 HA2 GLY A 1 39.200 -1.784 -13.586 1.00 0.52 H new ATOM 0 HA3 GLY A 1 38.984 -2.131 -11.882 1.00 0.52 H new ATOM 10 N SER A 2 38.923 0.658 -13.314 1.00 0.42 N ATOM 11 CA SER A 2 38.689 2.085 -13.172 1.00 0.34 C ATOM 12 C SER A 2 37.479 2.515 -13.995 1.00 0.28 C ATOM 13 O SER A 2 37.410 2.254 -15.195 1.00 0.53 O ATOM 14 CB SER A 2 39.929 2.876 -13.604 1.00 0.58 C ATOM 15 OG SER A 2 41.069 2.486 -12.853 1.00 0.54 O ATOM 0 H SER A 2 38.702 0.285 -14.237 1.00 0.42 H new ATOM 0 HA SER A 2 38.487 2.295 -12.122 1.00 0.34 H new ATOM 0 HB2 SER A 2 40.116 2.715 -14.666 1.00 0.58 H new ATOM 0 HB3 SER A 2 39.749 3.943 -13.471 1.00 0.58 H new ATOM 0 HG SER A 2 41.848 3.003 -13.148 1.00 0.54 H new ATOM 21 N HIS A 3 36.520 3.146 -13.333 1.00 0.18 N ATOM 22 CA HIS A 3 35.314 3.631 -13.988 1.00 0.13 C ATOM 23 C HIS A 3 34.679 4.713 -13.134 1.00 0.16 C ATOM 24 O HIS A 3 35.121 4.954 -12.013 1.00 0.31 O ATOM 25 CB HIS A 3 34.315 2.491 -14.256 1.00 0.26 C ATOM 26 CG HIS A 3 33.886 1.731 -13.035 1.00 0.54 C ATOM 27 ND1 HIS A 3 34.293 0.439 -12.775 1.00 1.06 N ATOM 28 CD2 HIS A 3 33.057 2.071 -12.018 1.00 1.49 C ATOM 29 CE1 HIS A 3 33.739 0.024 -11.652 1.00 1.02 C ATOM 30 NE2 HIS A 3 32.987 0.991 -11.174 1.00 1.41 N ATOM 0 H HIS A 3 36.555 3.336 -12.331 1.00 0.18 H new ATOM 0 HA HIS A 3 35.590 4.048 -14.957 1.00 0.13 H new ATOM 0 HB2 HIS A 3 33.430 2.908 -14.737 1.00 0.26 H new ATOM 0 HB3 HIS A 3 34.763 1.793 -14.963 1.00 0.26 H new ATOM 0 HD2 HIS A 3 32.547 3.015 -11.895 1.00 1.49 H new ATOM 0 HE1 HIS A 3 33.880 -0.947 -11.201 1.00 1.02 H new ATOM 0 HE2 HIS A 3 32.440 0.946 -10.314 1.00 1.41 H new ATOM 39 N MET A 4 33.649 5.354 -13.655 1.00 0.20 N ATOM 40 CA MET A 4 32.972 6.415 -12.923 1.00 0.25 C ATOM 41 C MET A 4 31.975 5.839 -11.925 1.00 0.20 C ATOM 42 O MET A 4 31.289 4.854 -12.208 1.00 0.30 O ATOM 43 CB MET A 4 32.272 7.367 -13.894 1.00 0.37 C ATOM 44 CG MET A 4 33.240 8.128 -14.790 1.00 0.43 C ATOM 45 SD MET A 4 32.422 9.352 -15.830 1.00 0.28 S ATOM 46 CE MET A 4 31.821 10.495 -14.588 1.00 0.33 C ATOM 0 H MET A 4 33.262 5.161 -14.579 1.00 0.20 H new ATOM 0 HA MET A 4 33.721 6.976 -12.364 1.00 0.25 H new ATOM 0 HB2 MET A 4 31.582 6.798 -14.517 1.00 0.37 H new ATOM 0 HB3 MET A 4 31.675 8.081 -13.326 1.00 0.37 H new ATOM 0 HG2 MET A 4 33.986 8.626 -14.170 1.00 0.43 H new ATOM 0 HG3 MET A 4 33.774 7.420 -15.423 1.00 0.43 H new ATOM 0 HE1 MET A 4 31.648 11.470 -15.044 1.00 0.33 H new ATOM 0 HE2 MET A 4 30.887 10.119 -14.169 1.00 0.33 H new ATOM 0 HE3 MET A 4 32.562 10.592 -13.794 1.00 0.33 H new ATOM 56 N THR A 5 31.907 6.449 -10.754 1.00 0.32 N ATOM 57 CA THR A 5 31.008 5.999 -9.704 1.00 0.34 C ATOM 58 C THR A 5 29.611 6.594 -9.887 1.00 0.34 C ATOM 59 O THR A 5 29.464 7.747 -10.299 1.00 0.37 O ATOM 60 CB THR A 5 31.555 6.398 -8.323 1.00 0.36 C ATOM 61 OG1 THR A 5 32.989 6.423 -8.361 1.00 0.33 O ATOM 62 CG2 THR A 5 31.095 5.417 -7.254 1.00 0.54 C ATOM 0 H THR A 5 32.468 7.264 -10.505 1.00 0.32 H new ATOM 0 HA THR A 5 30.939 4.913 -9.767 1.00 0.34 H new ATOM 0 HB THR A 5 31.173 7.388 -8.075 1.00 0.36 H new ATOM 0 HG1 THR A 5 33.335 6.679 -7.481 1.00 0.33 H new ATOM 0 HG21 THR A 5 31.494 5.720 -6.286 1.00 0.54 H new ATOM 0 HG22 THR A 5 30.006 5.410 -7.211 1.00 0.54 H new ATOM 0 HG23 THR A 5 31.455 4.418 -7.498 1.00 0.54 H new ATOM 70 N GLU A 6 28.590 5.803 -9.586 1.00 0.35 N ATOM 71 CA GLU A 6 27.209 6.248 -9.715 1.00 0.39 C ATOM 72 C GLU A 6 26.364 5.690 -8.576 1.00 0.32 C ATOM 73 O GLU A 6 26.643 4.613 -8.055 1.00 0.30 O ATOM 74 CB GLU A 6 26.629 5.815 -11.064 1.00 0.52 C ATOM 75 CG GLU A 6 26.834 4.342 -11.374 1.00 0.53 C ATOM 76 CD GLU A 6 26.448 3.988 -12.793 1.00 1.16 C ATOM 77 OE1 GLU A 6 25.254 3.726 -13.041 1.00 1.64 O ATOM 78 OE2 GLU A 6 27.336 3.979 -13.675 1.00 1.31 O1- ATOM 0 H GLU A 6 28.693 4.846 -9.249 1.00 0.35 H new ATOM 0 HA GLU A 6 27.192 7.337 -9.663 1.00 0.39 H new ATOM 0 HB2 GLU A 6 25.561 6.035 -11.077 1.00 0.52 H new ATOM 0 HB3 GLU A 6 27.087 6.410 -11.854 1.00 0.52 H new ATOM 0 HG2 GLU A 6 27.880 4.082 -11.210 1.00 0.53 H new ATOM 0 HG3 GLU A 6 26.244 3.743 -10.680 1.00 0.53 H new ATOM 85 N GLN A 7 25.344 6.435 -8.190 1.00 0.30 N ATOM 86 CA GLN A 7 24.456 6.017 -7.117 1.00 0.25 C ATOM 87 C GLN A 7 23.013 6.001 -7.606 1.00 0.23 C ATOM 88 O GLN A 7 22.281 6.979 -7.442 1.00 0.29 O ATOM 89 CB GLN A 7 24.601 6.951 -5.912 1.00 0.29 C ATOM 90 CG GLN A 7 25.959 6.863 -5.233 1.00 0.42 C ATOM 91 CD GLN A 7 26.185 7.975 -4.230 1.00 1.19 C ATOM 92 OE1 GLN A 7 25.871 7.839 -3.048 1.00 1.46 O ATOM 93 NE2 GLN A 7 26.732 9.088 -4.695 1.00 1.77 N ATOM 0 H GLN A 7 25.108 7.337 -8.605 1.00 0.30 H new ATOM 0 HA GLN A 7 24.731 5.009 -6.808 1.00 0.25 H new ATOM 0 HB2 GLN A 7 24.432 7.978 -6.236 1.00 0.29 H new ATOM 0 HB3 GLN A 7 23.824 6.715 -5.184 1.00 0.29 H new ATOM 0 HG2 GLN A 7 26.046 5.901 -4.728 1.00 0.42 H new ATOM 0 HG3 GLN A 7 26.742 6.898 -5.990 1.00 0.42 H new ATOM 0 HE21 GLN A 7 26.978 9.161 -5.682 1.00 1.77 H new ATOM 0 HE22 GLN A 7 26.907 9.872 -4.066 1.00 1.77 H new ATOM 102 N PRO A 8 22.595 4.899 -8.245 1.00 0.18 N ATOM 103 CA PRO A 8 21.247 4.737 -8.768 1.00 0.17 C ATOM 104 C PRO A 8 20.295 4.144 -7.732 1.00 0.19 C ATOM 105 O PRO A 8 20.641 4.039 -6.551 1.00 0.25 O ATOM 106 CB PRO A 8 21.441 3.759 -9.941 1.00 0.18 C ATOM 107 CG PRO A 8 22.843 3.225 -9.825 1.00 0.20 C ATOM 108 CD PRO A 8 23.400 3.710 -8.514 1.00 0.18 C ATOM 0 HA PRO A 8 20.800 5.688 -9.056 1.00 0.17 H new ATOM 0 HB2 PRO A 8 20.713 2.949 -9.896 1.00 0.18 H new ATOM 0 HB3 PRO A 8 21.296 4.265 -10.896 1.00 0.18 H new ATOM 0 HG2 PRO A 8 22.844 2.136 -9.863 1.00 0.20 H new ATOM 0 HG3 PRO A 8 23.457 3.573 -10.656 1.00 0.20 H new ATOM 0 HD2 PRO A 8 23.294 2.963 -7.728 1.00 0.18 H new ATOM 0 HD3 PRO A 8 24.461 3.947 -8.588 1.00 0.18 H new ATOM 116 N LYS A 9 19.097 3.777 -8.173 1.00 0.17 N ATOM 117 CA LYS A 9 18.102 3.175 -7.289 1.00 0.20 C ATOM 118 C LYS A 9 18.614 1.843 -6.747 1.00 0.23 C ATOM 119 O LYS A 9 18.579 0.826 -7.440 1.00 0.30 O ATOM 120 CB LYS A 9 16.780 2.957 -8.034 1.00 0.14 C ATOM 121 CG LYS A 9 16.131 4.241 -8.531 1.00 0.33 C ATOM 122 CD LYS A 9 14.778 3.976 -9.179 1.00 0.76 C ATOM 123 CE LYS A 9 14.145 5.255 -9.705 1.00 1.45 C ATOM 124 NZ LYS A 9 13.734 6.165 -8.604 1.00 2.23 N1+ ATOM 0 H LYS A 9 18.789 3.886 -9.139 1.00 0.17 H new ATOM 0 HA LYS A 9 17.928 3.857 -6.457 1.00 0.20 H new ATOM 0 HB2 LYS A 9 16.958 2.299 -8.885 1.00 0.14 H new ATOM 0 HB3 LYS A 9 16.083 2.442 -7.373 1.00 0.14 H new ATOM 0 HG2 LYS A 9 16.006 4.932 -7.697 1.00 0.33 H new ATOM 0 HG3 LYS A 9 16.790 4.727 -9.251 1.00 0.33 H new ATOM 0 HD2 LYS A 9 14.900 3.267 -9.998 1.00 0.76 H new ATOM 0 HD3 LYS A 9 14.111 3.512 -8.452 1.00 0.76 H new ATOM 0 HE2 LYS A 9 14.853 5.769 -10.355 1.00 1.45 H new ATOM 0 HE3 LYS A 9 13.276 5.006 -10.313 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 13.202 6.968 -8.997 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 13.133 5.647 -7.932 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 14.579 6.518 -8.111 1.00 2.23 H new ATOM 138 N THR A 10 19.108 1.861 -5.519 1.00 0.30 N ATOM 139 CA THR A 10 19.637 0.662 -4.889 1.00 0.36 C ATOM 140 C THR A 10 18.520 -0.157 -4.243 1.00 0.30 C ATOM 141 O THR A 10 17.438 0.359 -3.944 1.00 0.27 O ATOM 142 CB THR A 10 20.719 1.006 -3.836 1.00 0.49 C ATOM 143 OG1 THR A 10 21.434 -0.180 -3.457 1.00 0.62 O ATOM 144 CG2 THR A 10 20.110 1.654 -2.596 1.00 0.60 C ATOM 0 H THR A 10 19.154 2.697 -4.937 1.00 0.30 H new ATOM 0 HA THR A 10 20.101 0.064 -5.673 1.00 0.36 H new ATOM 0 HB THR A 10 21.406 1.720 -4.290 1.00 0.49 H new ATOM 0 HG1 THR A 10 22.117 0.048 -2.792 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.899 1.881 -1.879 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.601 2.575 -2.880 1.00 0.60 H new ATOM 0 HG23 THR A 10 19.394 0.969 -2.142 1.00 0.60 H new ATOM 152 N ARG A 11 18.790 -1.437 -4.032 1.00 0.30 N ATOM 153 CA ARG A 11 17.818 -2.328 -3.419 1.00 0.26 C ATOM 154 C ARG A 11 18.235 -2.652 -1.991 1.00 0.21 C ATOM 155 O ARG A 11 19.424 -2.637 -1.665 1.00 0.22 O ATOM 156 CB ARG A 11 17.643 -3.607 -4.256 1.00 0.32 C ATOM 157 CG ARG A 11 18.865 -4.513 -4.302 1.00 0.40 C ATOM 158 CD ARG A 11 18.934 -5.283 -5.614 1.00 0.55 C ATOM 159 NE ARG A 11 18.770 -6.724 -5.427 1.00 0.68 N ATOM 160 CZ ARG A 11 18.299 -7.548 -6.369 1.00 1.07 C ATOM 161 NH1 ARG A 11 17.973 -7.084 -7.574 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 18.167 -8.841 -6.110 1.00 1.17 N ATOM 0 H ARG A 11 19.675 -1.881 -4.277 1.00 0.30 H new ATOM 0 HA ARG A 11 16.852 -1.825 -3.387 1.00 0.26 H new ATOM 0 HB2 ARG A 11 16.803 -4.174 -3.855 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.380 -3.324 -5.275 1.00 0.32 H new ATOM 0 HG2 ARG A 11 19.768 -3.915 -4.181 1.00 0.40 H new ATOM 0 HG3 ARG A 11 18.832 -5.214 -3.468 1.00 0.40 H new ATOM 0 HD2 ARG A 11 18.159 -4.917 -6.288 1.00 0.55 H new ATOM 0 HD3 ARG A 11 19.893 -5.089 -6.095 1.00 0.55 H new ATOM 0 HE ARG A 11 19.030 -7.124 -4.525 1.00 0.68 H new ATOM 0 HH11 ARG A 11 18.082 -6.092 -7.785 1.00 1.36 H new ATOM 0 HH12 ARG A 11 17.615 -7.721 -8.286 1.00 1.36 H new ATOM 0 HH21 ARG A 11 18.425 -9.206 -5.193 1.00 1.17 H new ATOM 0 HH22 ARG A 11 17.808 -9.471 -6.827 1.00 1.17 H new ATOM 176 N VAL A 12 17.260 -2.920 -1.137 1.00 0.16 N ATOM 177 CA VAL A 12 17.525 -3.221 0.264 1.00 0.12 C ATOM 178 C VAL A 12 16.615 -4.347 0.759 1.00 0.14 C ATOM 179 O VAL A 12 15.445 -4.418 0.382 1.00 0.18 O ATOM 180 CB VAL A 12 17.335 -1.954 1.138 1.00 0.09 C ATOM 181 CG1 VAL A 12 16.045 -1.235 0.773 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.349 -2.289 2.623 1.00 0.12 C ATOM 0 H VAL A 12 16.272 -2.936 -1.390 1.00 0.16 H new ATOM 0 HA VAL A 12 18.560 -3.552 0.350 1.00 0.12 H new ATOM 0 HB VAL A 12 18.176 -1.291 0.936 1.00 0.09 H new ATOM 0 HG11 VAL A 12 15.932 -0.350 1.399 1.00 0.08 H new ATOM 0 HG12 VAL A 12 16.079 -0.937 -0.275 1.00 0.08 H new ATOM 0 HG13 VAL A 12 15.198 -1.903 0.933 1.00 0.08 H new ATOM 0 HG21 VAL A 12 17.213 -1.376 3.203 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.540 -2.985 2.847 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.304 -2.746 2.884 1.00 0.12 H new ATOM 192 N SER A 13 17.163 -5.231 1.586 1.00 0.14 N ATOM 193 CA SER A 13 16.406 -6.354 2.121 1.00 0.17 C ATOM 194 C SER A 13 15.913 -6.061 3.541 1.00 0.12 C ATOM 195 O SER A 13 16.686 -5.634 4.399 1.00 0.15 O ATOM 196 CB SER A 13 17.277 -7.608 2.119 1.00 0.25 C ATOM 197 OG SER A 13 17.972 -7.746 0.889 1.00 0.56 O ATOM 0 H SER A 13 18.132 -5.190 1.901 1.00 0.14 H new ATOM 0 HA SER A 13 15.534 -6.514 1.487 1.00 0.17 H new ATOM 0 HB2 SER A 13 17.992 -7.559 2.941 1.00 0.25 H new ATOM 0 HB3 SER A 13 16.655 -8.487 2.289 1.00 0.25 H new ATOM 0 HG SER A 13 17.350 -8.046 0.194 1.00 0.56 H new ATOM 203 N VAL A 14 14.622 -6.276 3.771 1.00 0.06 N ATOM 204 CA VAL A 14 14.016 -6.054 5.081 1.00 0.08 C ATOM 205 C VAL A 14 13.283 -7.314 5.536 1.00 0.08 C ATOM 206 O VAL A 14 12.819 -8.092 4.705 1.00 0.12 O ATOM 207 CB VAL A 14 13.030 -4.863 5.069 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.758 -3.555 4.789 1.00 0.10 C ATOM 209 CG2 VAL A 14 11.909 -5.082 4.057 1.00 0.09 C ATOM 0 H VAL A 14 13.969 -6.607 3.061 1.00 0.06 H new ATOM 0 HA VAL A 14 14.821 -5.817 5.776 1.00 0.08 H new ATOM 0 HB VAL A 14 12.580 -4.798 6.060 1.00 0.09 H new ATOM 0 HG11 VAL A 14 13.042 -2.733 4.786 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.506 -3.382 5.563 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.248 -3.612 3.817 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.233 -4.227 4.073 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.335 -5.189 3.060 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.357 -5.986 4.315 1.00 0.09 H new ATOM 219 N ARG A 15 13.170 -7.513 6.843 1.00 0.05 N ATOM 220 CA ARG A 15 12.512 -8.700 7.373 1.00 0.05 C ATOM 221 C ARG A 15 11.067 -8.410 7.782 1.00 0.04 C ATOM 222 O ARG A 15 10.808 -7.530 8.605 1.00 0.07 O ATOM 223 CB ARG A 15 13.292 -9.243 8.568 1.00 0.06 C ATOM 224 CG ARG A 15 13.078 -10.730 8.803 1.00 0.06 C ATOM 225 CD ARG A 15 13.815 -11.221 10.038 1.00 0.11 C ATOM 226 NE ARG A 15 15.252 -10.955 9.967 1.00 0.16 N ATOM 227 CZ ARG A 15 15.973 -10.460 10.978 1.00 0.20 C ATOM 228 NH1 ARG A 15 15.397 -10.199 12.145 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 17.273 -10.235 10.823 1.00 0.26 N ATOM 0 H ARG A 15 13.524 -6.871 7.553 1.00 0.05 H new ATOM 0 HA ARG A 15 12.492 -9.449 6.581 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.355 -9.056 8.414 1.00 0.06 H new ATOM 0 HB3 ARG A 15 12.998 -8.695 9.463 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.012 -10.930 8.913 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.419 -11.288 7.931 1.00 0.06 H new ATOM 0 HD2 ARG A 15 13.401 -10.737 10.922 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.651 -12.292 10.155 1.00 0.11 H new ATOM 0 HE ARG A 15 15.734 -11.160 9.092 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.401 -10.376 12.273 1.00 0.20 H new ATOM 0 HH12 ARG A 15 15.951 -9.821 12.914 1.00 0.20 H new ATOM 0 HH21 ARG A 15 17.723 -10.440 9.931 1.00 0.26 H new ATOM 0 HH22 ARG A 15 17.821 -9.857 11.596 1.00 0.26 H new ATOM 243 N ILE A 16 10.135 -9.167 7.207 1.00 0.03 N ATOM 244 CA ILE A 16 8.714 -9.014 7.494 1.00 0.04 C ATOM 245 C ILE A 16 8.069 -10.389 7.643 1.00 0.04 C ATOM 246 O ILE A 16 8.197 -11.239 6.754 1.00 0.04 O ATOM 247 CB ILE A 16 7.986 -8.236 6.377 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.580 -6.834 6.216 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.488 -8.159 6.656 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.061 -6.092 5.005 1.00 0.07 C ATOM 0 H ILE A 16 10.345 -9.901 6.531 1.00 0.03 H new ATOM 0 HA ILE A 16 8.623 -8.448 8.421 1.00 0.04 H new ATOM 0 HB ILE A 16 8.129 -8.776 5.441 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.361 -6.251 7.110 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.665 -6.914 6.145 1.00 0.08 H new ATOM 0 HG21 ILE A 16 5.997 -7.606 5.855 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.075 -9.167 6.708 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.320 -7.649 7.605 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.525 -5.107 4.955 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.304 -6.653 4.103 1.00 0.07 H new ATOM 0 HD13 ILE A 16 6.980 -5.980 5.083 1.00 0.07 H new ATOM 262 N TYR A 17 7.394 -10.607 8.775 1.00 0.08 N ATOM 263 CA TYR A 17 6.717 -11.875 9.069 1.00 0.11 C ATOM 264 C TYR A 17 7.711 -13.041 9.127 1.00 0.19 C ATOM 265 O TYR A 17 7.336 -14.206 8.978 1.00 0.56 O ATOM 266 CB TYR A 17 5.628 -12.154 8.024 1.00 0.04 C ATOM 267 CG TYR A 17 4.360 -12.765 8.591 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.490 -12.010 9.370 1.00 0.08 C ATOM 269 CD2 TYR A 17 4.035 -14.093 8.341 1.00 0.18 C ATOM 270 CE1 TYR A 17 2.332 -12.564 9.885 1.00 0.12 C ATOM 271 CE2 TYR A 17 2.877 -14.653 8.852 1.00 0.23 C ATOM 272 CZ TYR A 17 2.030 -13.883 9.622 1.00 0.20 C ATOM 273 OH TYR A 17 0.876 -14.436 10.134 1.00 0.25 O ATOM 0 H TYR A 17 7.301 -9.910 9.514 1.00 0.08 H new ATOM 0 HA TYR A 17 6.251 -11.784 10.050 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.374 -11.220 7.522 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.032 -12.824 7.265 1.00 0.04 H new ATOM 0 HD1 TYR A 17 3.722 -10.976 9.576 1.00 0.08 H new ATOM 0 HD2 TYR A 17 4.697 -14.698 7.738 1.00 0.18 H new ATOM 0 HE1 TYR A 17 1.667 -11.966 10.491 1.00 0.12 H new ATOM 0 HE2 TYR A 17 2.638 -15.686 8.649 1.00 0.23 H new ATOM 0 HH TYR A 17 0.150 -13.779 10.089 1.00 0.25 H new ATOM 283 N GLY A 18 8.978 -12.719 9.351 1.00 0.18 N ATOM 284 CA GLY A 18 10.002 -13.745 9.434 1.00 0.13 C ATOM 285 C GLY A 18 10.889 -13.795 8.206 1.00 0.05 C ATOM 286 O GLY A 18 12.112 -13.886 8.321 1.00 0.11 O ATOM 0 H GLY A 18 9.316 -11.765 9.477 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.619 -13.565 10.314 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.526 -14.716 9.572 1.00 0.13 H new ATOM 290 N GLN A 19 10.282 -13.730 7.032 1.00 0.05 N ATOM 291 CA GLN A 19 11.034 -13.774 5.784 1.00 0.10 C ATOM 292 C GLN A 19 11.530 -12.384 5.410 1.00 0.05 C ATOM 293 O GLN A 19 10.986 -11.379 5.858 1.00 0.08 O ATOM 294 CB GLN A 19 10.174 -14.332 4.650 1.00 0.19 C ATOM 295 CG GLN A 19 10.117 -15.852 4.613 1.00 0.14 C ATOM 296 CD GLN A 19 8.725 -16.369 4.299 1.00 0.49 C ATOM 297 OE1 GLN A 19 7.729 -15.701 4.563 1.00 0.68 O ATOM 298 NE2 GLN A 19 8.649 -17.567 3.741 1.00 0.67 N ATOM 0 H GLN A 19 9.272 -13.647 6.915 1.00 0.05 H new ATOM 0 HA GLN A 19 11.890 -14.432 5.933 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.161 -13.942 4.749 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.563 -13.969 3.699 1.00 0.19 H new ATOM 0 HG2 GLN A 19 10.817 -16.221 3.864 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.441 -16.249 5.575 1.00 0.14 H new ATOM 0 HE21 GLN A 19 9.501 -18.090 3.538 1.00 0.67 H new ATOM 0 HE22 GLN A 19 7.739 -17.967 3.514 1.00 0.67 H new ATOM 307 N ASP A 20 12.563 -12.329 4.593 1.00 0.12 N ATOM 308 CA ASP A 20 13.115 -11.056 4.163 1.00 0.10 C ATOM 309 C ASP A 20 12.725 -10.779 2.721 1.00 0.09 C ATOM 310 O ASP A 20 12.597 -11.701 1.911 1.00 0.10 O ATOM 311 CB ASP A 20 14.643 -11.042 4.321 1.00 0.17 C ATOM 312 CG ASP A 20 15.382 -11.443 3.057 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.341 -12.635 2.690 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.034 -10.574 2.441 1.00 0.55 O ATOM 0 H ASP A 20 13.038 -13.148 4.213 1.00 0.12 H new ATOM 0 HA ASP A 20 12.704 -10.269 4.795 1.00 0.10 H new ATOM 0 HB2 ASP A 20 14.961 -10.043 4.618 1.00 0.17 H new ATOM 0 HB3 ASP A 20 14.924 -11.719 5.128 1.00 0.17 H new ATOM 319 N TYR A 21 12.468 -9.516 2.420 1.00 0.07 N ATOM 320 CA TYR A 21 12.103 -9.104 1.074 1.00 0.07 C ATOM 321 C TYR A 21 13.025 -7.976 0.643 1.00 0.07 C ATOM 322 O TYR A 21 13.340 -7.093 1.439 1.00 0.16 O ATOM 323 CB TYR A 21 10.641 -8.622 0.982 1.00 0.05 C ATOM 324 CG TYR A 21 9.638 -9.385 1.828 1.00 0.07 C ATOM 325 CD1 TYR A 21 9.716 -10.762 1.994 1.00 0.05 C ATOM 326 CD2 TYR A 21 8.603 -8.713 2.460 1.00 0.15 C ATOM 327 CE1 TYR A 21 8.798 -11.442 2.770 1.00 0.08 C ATOM 328 CE2 TYR A 21 7.680 -9.387 3.235 1.00 0.17 C ATOM 329 CZ TYR A 21 7.783 -10.750 3.390 1.00 0.12 C ATOM 330 OH TYR A 21 6.872 -11.426 4.168 1.00 0.15 O ATOM 0 H TYR A 21 12.506 -8.753 3.096 1.00 0.07 H new ATOM 0 HA TYR A 21 12.204 -9.970 0.420 1.00 0.07 H new ATOM 0 HB2 TYR A 21 10.606 -7.571 1.270 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.325 -8.677 -0.060 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.509 -11.311 1.507 1.00 0.05 H new ATOM 0 HD2 TYR A 21 8.517 -7.643 2.344 1.00 0.15 H new ATOM 0 HE1 TYR A 21 8.876 -12.512 2.890 1.00 0.08 H new ATOM 0 HE2 TYR A 21 6.880 -8.846 3.718 1.00 0.17 H new ATOM 0 HH TYR A 21 7.195 -11.463 5.092 1.00 0.15 H new ATOM 340 N THR A 22 13.466 -8.005 -0.599 1.00 0.19 N ATOM 341 CA THR A 22 14.348 -6.972 -1.108 1.00 0.20 C ATOM 342 C THR A 22 13.579 -6.021 -2.018 1.00 0.21 C ATOM 343 O THR A 22 13.075 -6.419 -3.069 1.00 0.38 O ATOM 344 CB THR A 22 15.548 -7.582 -1.857 1.00 0.25 C ATOM 345 OG1 THR A 22 16.155 -8.594 -1.037 1.00 0.19 O ATOM 346 CG2 THR A 22 16.580 -6.520 -2.197 1.00 0.32 C ATOM 0 H THR A 22 13.229 -8.732 -1.274 1.00 0.19 H new ATOM 0 HA THR A 22 14.735 -6.410 -0.258 1.00 0.20 H new ATOM 0 HB THR A 22 15.187 -8.019 -2.788 1.00 0.25 H new ATOM 0 HG1 THR A 22 16.918 -8.985 -1.511 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.415 -6.980 -2.725 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.124 -5.760 -2.831 1.00 0.32 H new ATOM 0 HG23 THR A 22 16.942 -6.057 -1.279 1.00 0.32 H new ATOM 354 N ILE A 23 13.489 -4.767 -1.599 1.00 0.16 N ATOM 355 CA ILE A 23 12.766 -3.753 -2.356 1.00 0.16 C ATOM 356 C ILE A 23 13.703 -2.646 -2.817 1.00 0.15 C ATOM 357 O ILE A 23 14.887 -2.637 -2.478 1.00 0.13 O ATOM 358 CB ILE A 23 11.602 -3.129 -1.549 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.127 -2.290 -0.358 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.621 -4.213 -1.108 1.00 0.31 C ATOM 361 CD1 ILE A 23 12.212 -3.007 0.981 1.00 0.06 C ATOM 0 H ILE A 23 13.910 -4.425 -0.735 1.00 0.16 H new ATOM 0 HA ILE A 23 12.344 -4.263 -3.222 1.00 0.16 H new ATOM 0 HB ILE A 23 11.060 -2.439 -2.197 1.00 0.17 H new ATOM 0 HG12 ILE A 23 13.120 -1.918 -0.612 1.00 0.05 H new ATOM 0 HG13 ILE A 23 11.481 -1.420 -0.241 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.808 -3.759 -0.542 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.215 -4.716 -1.986 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.139 -4.939 -0.481 1.00 0.31 H new ATOM 0 HD11 ILE A 23 12.592 -2.321 1.738 1.00 0.06 H new ATOM 0 HD12 ILE A 23 11.220 -3.354 1.271 1.00 0.06 H new ATOM 0 HD13 ILE A 23 12.884 -3.861 0.895 1.00 0.06 H new ATOM 373 N VAL A 24 13.164 -1.713 -3.582 1.00 0.16 N ATOM 374 CA VAL A 24 13.943 -0.603 -4.105 1.00 0.15 C ATOM 375 C VAL A 24 13.837 0.612 -3.180 1.00 0.15 C ATOM 376 O VAL A 24 12.773 1.222 -3.061 1.00 0.15 O ATOM 377 CB VAL A 24 13.467 -0.218 -5.517 1.00 0.17 C ATOM 378 CG1 VAL A 24 14.289 0.934 -6.078 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.524 -1.423 -6.445 1.00 0.18 C ATOM 0 H VAL A 24 12.182 -1.702 -3.857 1.00 0.16 H new ATOM 0 HA VAL A 24 14.984 -0.922 -4.158 1.00 0.15 H new ATOM 0 HB VAL A 24 12.432 0.115 -5.446 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.930 1.184 -7.076 1.00 0.17 H new ATOM 0 HG12 VAL A 24 14.189 1.803 -5.428 1.00 0.17 H new ATOM 0 HG13 VAL A 24 15.337 0.640 -6.132 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.184 -1.133 -7.439 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.549 -1.788 -6.504 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.880 -2.212 -6.057 1.00 0.18 H new ATOM 389 N GLY A 25 14.944 0.962 -2.537 1.00 0.14 N ATOM 390 CA GLY A 25 14.954 2.093 -1.633 1.00 0.13 C ATOM 391 C GLY A 25 15.802 3.236 -2.152 1.00 0.11 C ATOM 392 O GLY A 25 16.950 3.406 -1.739 1.00 0.08 O ATOM 0 H GLY A 25 15.838 0.479 -2.627 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.933 2.442 -1.480 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.332 1.775 -0.661 1.00 0.13 H new ATOM 396 N ALA A 26 15.237 4.022 -3.056 1.00 0.15 N ATOM 397 CA ALA A 26 15.952 5.149 -3.636 1.00 0.17 C ATOM 398 C ALA A 26 15.735 6.414 -2.818 1.00 0.12 C ATOM 399 O ALA A 26 16.596 7.295 -2.776 1.00 0.19 O ATOM 400 CB ALA A 26 15.514 5.367 -5.075 1.00 0.27 C ATOM 0 H ALA A 26 14.286 3.900 -3.404 1.00 0.15 H new ATOM 0 HA ALA A 26 17.017 4.918 -3.624 1.00 0.17 H new ATOM 0 HB1 ALA A 26 16.057 6.213 -5.496 1.00 0.27 H new ATOM 0 HB2 ALA A 26 15.727 4.472 -5.660 1.00 0.27 H new ATOM 0 HB3 ALA A 26 14.444 5.573 -5.102 1.00 0.27 H new ATOM 406 N GLU A 27 14.587 6.483 -2.166 1.00 0.11 N ATOM 407 CA GLU A 27 14.224 7.629 -1.346 1.00 0.05 C ATOM 408 C GLU A 27 15.214 7.821 -0.192 1.00 0.10 C ATOM 409 O GLU A 27 15.986 8.782 -0.181 1.00 0.20 O ATOM 410 CB GLU A 27 12.792 7.461 -0.815 1.00 0.11 C ATOM 411 CG GLU A 27 11.714 7.646 -1.879 1.00 0.78 C ATOM 412 CD GLU A 27 11.746 6.582 -2.970 1.00 1.22 C ATOM 413 OE1 GLU A 27 12.168 5.440 -2.687 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 11.356 6.892 -4.117 1.00 1.46 O ATOM 0 H GLU A 27 13.880 5.748 -2.189 1.00 0.11 H new ATOM 0 HA GLU A 27 14.266 8.524 -1.967 1.00 0.05 H new ATOM 0 HB2 GLU A 27 12.691 6.468 -0.378 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.625 8.180 -0.013 1.00 0.11 H new ATOM 0 HG2 GLU A 27 10.735 7.633 -1.399 1.00 0.78 H new ATOM 0 HG3 GLU A 27 11.832 8.628 -2.337 1.00 0.78 H new ATOM 421 N SER A 28 15.189 6.911 0.778 1.00 0.11 N ATOM 422 CA SER A 28 16.096 6.975 1.924 1.00 0.17 C ATOM 423 C SER A 28 16.138 5.616 2.623 1.00 0.18 C ATOM 424 O SER A 28 15.108 4.945 2.737 1.00 0.15 O ATOM 425 CB SER A 28 15.669 8.059 2.929 1.00 0.18 C ATOM 426 OG SER A 28 14.826 9.031 2.337 1.00 0.26 O ATOM 0 H SER A 28 14.549 6.117 0.794 1.00 0.11 H new ATOM 0 HA SER A 28 17.087 7.235 1.552 1.00 0.17 H new ATOM 0 HB2 SER A 28 15.151 7.592 3.767 1.00 0.18 H new ATOM 0 HB3 SER A 28 16.556 8.547 3.334 1.00 0.18 H new ATOM 0 HG SER A 28 14.176 9.347 2.999 1.00 0.26 H new ATOM 432 N PRO A 29 17.318 5.199 3.116 1.00 0.23 N ATOM 433 CA PRO A 29 17.487 3.909 3.804 1.00 0.26 C ATOM 434 C PRO A 29 16.615 3.780 5.056 1.00 0.28 C ATOM 435 O PRO A 29 16.168 2.686 5.403 1.00 0.34 O ATOM 436 CB PRO A 29 18.972 3.888 4.188 1.00 0.31 C ATOM 437 CG PRO A 29 19.418 5.308 4.110 1.00 0.31 C ATOM 438 CD PRO A 29 18.588 5.943 3.033 1.00 0.25 C ATOM 0 HA PRO A 29 17.185 3.080 3.164 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.113 3.486 5.191 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.545 3.258 3.508 1.00 0.31 H new ATOM 0 HG2 PRO A 29 19.274 5.815 5.064 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.480 5.371 3.873 1.00 0.31 H new ATOM 0 HD2 PRO A 29 18.444 7.009 3.209 1.00 0.25 H new ATOM 0 HD3 PRO A 29 19.052 5.842 2.052 1.00 0.25 H new ATOM 446 N ALA A 30 16.369 4.900 5.729 1.00 0.27 N ATOM 447 CA ALA A 30 15.564 4.896 6.943 1.00 0.30 C ATOM 448 C ALA A 30 14.085 5.126 6.640 1.00 0.18 C ATOM 449 O ALA A 30 13.232 4.984 7.517 1.00 0.15 O ATOM 450 CB ALA A 30 16.080 5.949 7.914 1.00 0.41 C ATOM 0 H ALA A 30 16.715 5.819 5.454 1.00 0.27 H new ATOM 0 HA ALA A 30 15.654 3.911 7.402 1.00 0.30 H new ATOM 0 HB1 ALA A 30 15.472 5.939 8.819 1.00 0.41 H new ATOM 0 HB2 ALA A 30 17.117 5.730 8.171 1.00 0.41 H new ATOM 0 HB3 ALA A 30 16.021 6.933 7.449 1.00 0.41 H new ATOM 456 N HIS A 31 13.776 5.445 5.391 1.00 0.13 N ATOM 457 CA HIS A 31 12.394 5.701 4.999 1.00 0.10 C ATOM 458 C HIS A 31 11.651 4.403 4.713 1.00 0.09 C ATOM 459 O HIS A 31 10.566 4.173 5.244 1.00 0.19 O ATOM 460 CB HIS A 31 12.325 6.619 3.774 1.00 0.21 C ATOM 461 CG HIS A 31 11.858 8.009 4.096 1.00 0.05 C ATOM 462 ND1 HIS A 31 12.575 9.139 3.776 1.00 0.28 N ATOM 463 CD2 HIS A 31 10.734 8.445 4.714 1.00 0.12 C ATOM 464 CE1 HIS A 31 11.922 10.205 4.186 1.00 0.41 C ATOM 465 NE2 HIS A 31 10.801 9.813 4.756 1.00 0.32 N ATOM 0 H HIS A 31 14.456 5.533 4.636 1.00 0.13 H new ATOM 0 HA HIS A 31 11.911 6.202 5.838 1.00 0.10 H new ATOM 0 HB2 HIS A 31 13.311 6.673 3.313 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.653 6.179 3.037 1.00 0.21 H new ATOM 0 HD2 HIS A 31 9.935 7.830 5.101 1.00 0.12 H new ATOM 0 HE1 HIS A 31 12.250 11.228 4.074 1.00 0.41 H new ATOM 0 HE2 HIS A 31 10.097 10.428 5.163 1.00 0.32 H new ATOM 474 N ILE A 32 12.246 3.546 3.893 1.00 0.08 N ATOM 475 CA ILE A 32 11.601 2.276 3.549 1.00 0.20 C ATOM 476 C ILE A 32 11.722 1.268 4.688 1.00 0.27 C ATOM 477 O ILE A 32 11.030 0.250 4.704 1.00 0.36 O ATOM 478 CB ILE A 32 12.120 1.639 2.226 1.00 0.23 C ATOM 479 CG1 ILE A 32 13.443 0.871 2.424 1.00 0.25 C ATOM 480 CG2 ILE A 32 12.231 2.673 1.107 1.00 0.18 C ATOM 481 CD1 ILE A 32 14.672 1.721 2.689 1.00 0.30 C ATOM 0 H ILE A 32 13.156 3.698 3.459 1.00 0.08 H new ATOM 0 HA ILE A 32 10.552 2.526 3.387 1.00 0.20 H new ATOM 0 HB ILE A 32 11.375 0.905 1.920 1.00 0.23 H new ATOM 0 HG12 ILE A 32 13.317 0.179 3.257 1.00 0.25 H new ATOM 0 HG13 ILE A 32 13.627 0.269 1.534 1.00 0.25 H new ATOM 0 HG21 ILE A 32 12.596 2.190 0.201 1.00 0.18 H new ATOM 0 HG22 ILE A 32 11.250 3.109 0.916 1.00 0.18 H new ATOM 0 HG23 ILE A 32 12.926 3.458 1.405 1.00 0.18 H new ATOM 0 HD11 ILE A 32 15.541 1.075 2.812 1.00 0.30 H new ATOM 0 HD12 ILE A 32 14.836 2.395 1.848 1.00 0.30 H new ATOM 0 HD13 ILE A 32 14.522 2.304 3.598 1.00 0.30 H new ATOM 493 N ARG A 33 12.590 1.563 5.651 1.00 0.25 N ATOM 494 CA ARG A 33 12.768 0.684 6.797 1.00 0.32 C ATOM 495 C ARG A 33 11.517 0.721 7.668 1.00 0.34 C ATOM 496 O ARG A 33 11.130 -0.284 8.266 1.00 0.57 O ATOM 497 CB ARG A 33 14.008 1.080 7.607 1.00 0.34 C ATOM 498 CG ARG A 33 14.275 0.154 8.786 1.00 0.38 C ATOM 499 CD ARG A 33 15.744 0.143 9.182 1.00 0.37 C ATOM 500 NE ARG A 33 16.173 1.416 9.762 1.00 0.36 N ATOM 501 CZ ARG A 33 17.380 1.630 10.285 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.267 0.645 10.344 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 17.692 2.826 10.768 1.00 0.84 N ATOM 0 H ARG A 33 13.176 2.398 5.659 1.00 0.25 H new ATOM 0 HA ARG A 33 12.922 -0.334 6.439 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.878 1.081 6.950 1.00 0.34 H new ATOM 0 HB3 ARG A 33 13.884 2.099 7.974 1.00 0.34 H new ATOM 0 HG2 ARG A 33 13.672 0.469 9.638 1.00 0.38 H new ATOM 0 HG3 ARG A 33 13.961 -0.858 8.530 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.918 -0.658 9.900 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.353 -0.077 8.305 1.00 0.37 H new ATOM 0 HE ARG A 33 15.506 2.188 9.766 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.026 -0.280 9.988 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.190 0.813 10.745 1.00 1.01 H new ATOM 0 HH21 ARG A 33 17.008 3.582 10.739 1.00 0.84 H new ATOM 0 HH22 ARG A 33 18.616 2.989 11.168 1.00 0.84 H new ATOM 517 N LEU A 34 10.871 1.880 7.703 1.00 0.14 N ATOM 518 CA LEU A 34 9.650 2.052 8.478 1.00 0.15 C ATOM 519 C LEU A 34 8.519 1.261 7.838 1.00 0.16 C ATOM 520 O LEU A 34 7.596 0.809 8.513 1.00 0.17 O ATOM 521 CB LEU A 34 9.273 3.533 8.562 1.00 0.13 C ATOM 522 CG LEU A 34 10.320 4.441 9.214 1.00 0.07 C ATOM 523 CD1 LEU A 34 9.937 5.900 9.040 1.00 0.12 C ATOM 524 CD2 LEU A 34 10.480 4.106 10.688 1.00 0.04 C ATOM 0 H LEU A 34 11.174 2.716 7.203 1.00 0.14 H new ATOM 0 HA LEU A 34 9.820 1.681 9.489 1.00 0.15 H new ATOM 0 HB2 LEU A 34 9.077 3.898 7.554 1.00 0.13 H new ATOM 0 HB3 LEU A 34 8.341 3.622 9.120 1.00 0.13 H new ATOM 0 HG LEU A 34 11.276 4.271 8.720 1.00 0.07 H new ATOM 0 HD11 LEU A 34 10.691 6.532 9.509 1.00 0.12 H new ATOM 0 HD12 LEU A 34 9.875 6.136 7.978 1.00 0.12 H new ATOM 0 HD13 LEU A 34 8.970 6.081 9.509 1.00 0.12 H new ATOM 0 HD21 LEU A 34 11.228 4.763 11.131 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.527 4.245 11.198 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.800 3.069 10.793 1.00 0.04 H new ATOM 536 N VAL A 35 8.619 1.084 6.524 1.00 0.16 N ATOM 537 CA VAL A 35 7.623 0.342 5.765 1.00 0.16 C ATOM 538 C VAL A 35 7.597 -1.115 6.206 1.00 0.13 C ATOM 539 O VAL A 35 6.535 -1.736 6.278 1.00 0.12 O ATOM 540 CB VAL A 35 7.910 0.411 4.248 1.00 0.20 C ATOM 541 CG1 VAL A 35 6.879 -0.383 3.465 1.00 0.18 C ATOM 542 CG2 VAL A 35 7.942 1.856 3.777 1.00 0.25 C ATOM 0 H VAL A 35 9.387 1.449 5.961 1.00 0.16 H new ATOM 0 HA VAL A 35 6.653 0.800 5.959 1.00 0.16 H new ATOM 0 HB VAL A 35 8.889 -0.033 4.067 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.103 -0.319 2.400 1.00 0.18 H new ATOM 0 HG12 VAL A 35 6.907 -1.426 3.780 1.00 0.18 H new ATOM 0 HG13 VAL A 35 5.886 0.026 3.652 1.00 0.18 H new ATOM 0 HG21 VAL A 35 8.145 1.885 2.707 1.00 0.25 H new ATOM 0 HG22 VAL A 35 6.979 2.325 3.976 1.00 0.25 H new ATOM 0 HG23 VAL A 35 8.725 2.395 4.310 1.00 0.25 H new ATOM 552 N ALA A 36 8.773 -1.646 6.523 1.00 0.14 N ATOM 553 CA ALA A 36 8.899 -3.025 6.962 1.00 0.15 C ATOM 554 C ALA A 36 8.072 -3.275 8.217 1.00 0.12 C ATOM 555 O ALA A 36 7.324 -4.248 8.299 1.00 0.11 O ATOM 556 CB ALA A 36 10.357 -3.367 7.208 1.00 0.18 C ATOM 0 H ALA A 36 9.656 -1.136 6.483 1.00 0.14 H new ATOM 0 HA ALA A 36 8.516 -3.672 6.172 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.437 -4.403 7.537 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.923 -3.234 6.286 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.760 -2.710 7.979 1.00 0.18 H new ATOM 562 N ALA A 37 8.198 -2.374 9.181 1.00 0.13 N ATOM 563 CA ALA A 37 7.466 -2.487 10.432 1.00 0.11 C ATOM 564 C ALA A 37 5.982 -2.204 10.214 1.00 0.14 C ATOM 565 O ALA A 37 5.126 -2.731 10.925 1.00 0.20 O ATOM 566 CB ALA A 37 8.044 -1.537 11.466 1.00 0.13 C ATOM 0 H ALA A 37 8.802 -1.555 9.119 1.00 0.13 H new ATOM 0 HA ALA A 37 7.567 -3.507 10.802 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.487 -1.631 12.398 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.091 -1.784 11.642 1.00 0.13 H new ATOM 0 HB3 ALA A 37 7.969 -0.513 11.101 1.00 0.13 H new ATOM 572 N PHE A 38 5.691 -1.374 9.222 1.00 0.15 N ATOM 573 CA PHE A 38 4.320 -1.008 8.896 1.00 0.21 C ATOM 574 C PHE A 38 3.558 -2.208 8.330 1.00 0.21 C ATOM 575 O PHE A 38 2.441 -2.506 8.758 1.00 0.28 O ATOM 576 CB PHE A 38 4.324 0.157 7.897 1.00 0.26 C ATOM 577 CG PHE A 38 2.960 0.633 7.478 1.00 0.34 C ATOM 578 CD1 PHE A 38 1.961 0.845 8.417 1.00 0.35 C ATOM 579 CD2 PHE A 38 2.684 0.879 6.144 1.00 0.41 C ATOM 580 CE1 PHE A 38 0.713 1.289 8.029 1.00 0.43 C ATOM 581 CE2 PHE A 38 1.437 1.322 5.750 1.00 0.50 C ATOM 582 CZ PHE A 38 0.451 1.528 6.694 1.00 0.50 C ATOM 0 H PHE A 38 6.393 -0.938 8.624 1.00 0.15 H new ATOM 0 HA PHE A 38 3.810 -0.692 9.806 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.866 0.994 8.338 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.876 -0.147 7.008 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.162 0.661 9.462 1.00 0.35 H new ATOM 0 HD2 PHE A 38 3.453 0.723 5.402 1.00 0.41 H new ATOM 0 HE1 PHE A 38 -0.058 1.449 8.768 1.00 0.43 H new ATOM 0 HE2 PHE A 38 1.233 1.507 4.706 1.00 0.50 H new ATOM 0 HZ PHE A 38 -0.525 1.876 6.389 1.00 0.50 H new ATOM 592 N VAL A 39 4.171 -2.902 7.376 1.00 0.16 N ATOM 593 CA VAL A 39 3.546 -4.066 6.758 1.00 0.17 C ATOM 594 C VAL A 39 3.455 -5.226 7.746 1.00 0.16 C ATOM 595 O VAL A 39 2.417 -5.889 7.844 1.00 0.18 O ATOM 596 CB VAL A 39 4.310 -4.525 5.497 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.644 -5.735 4.862 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.406 -3.388 4.489 1.00 0.15 C ATOM 0 H VAL A 39 5.098 -2.679 7.015 1.00 0.16 H new ATOM 0 HA VAL A 39 2.541 -3.765 6.462 1.00 0.17 H new ATOM 0 HB VAL A 39 5.316 -4.812 5.802 1.00 0.15 H new ATOM 0 HG11 VAL A 39 4.204 -6.036 3.976 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.627 -6.558 5.577 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.623 -5.481 4.577 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.947 -3.729 3.607 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.404 -3.072 4.200 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.936 -2.548 4.938 1.00 0.15 H new ATOM 608 N ASP A 40 4.533 -5.455 8.493 1.00 0.12 N ATOM 609 CA ASP A 40 4.569 -6.537 9.475 1.00 0.11 C ATOM 610 C ASP A 40 3.446 -6.380 10.499 1.00 0.12 C ATOM 611 O ASP A 40 2.840 -7.366 10.930 1.00 0.13 O ATOM 612 CB ASP A 40 5.927 -6.578 10.187 1.00 0.09 C ATOM 613 CG ASP A 40 6.025 -7.716 11.188 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.427 -8.834 10.798 1.00 1.14 O1- ATOM 615 OD2 ASP A 40 5.706 -7.492 12.379 1.00 1.03 O ATOM 0 H ASP A 40 5.392 -4.907 8.437 1.00 0.12 H new ATOM 0 HA ASP A 40 4.424 -7.477 8.942 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.719 -6.681 9.446 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.093 -5.631 10.701 1.00 0.09 H new ATOM 620 N ASP A 41 3.165 -5.137 10.878 1.00 0.12 N ATOM 621 CA ASP A 41 2.106 -4.845 11.841 1.00 0.13 C ATOM 622 C ASP A 41 0.745 -5.184 11.253 1.00 0.09 C ATOM 623 O ASP A 41 -0.063 -5.877 11.879 1.00 0.07 O ATOM 624 CB ASP A 41 2.136 -3.367 12.245 1.00 0.16 C ATOM 625 CG ASP A 41 1.199 -3.066 13.399 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.460 -3.555 14.521 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 0.203 -2.339 13.190 1.00 0.22 O ATOM 0 H ASP A 41 3.657 -4.313 10.532 1.00 0.12 H new ATOM 0 HA ASP A 41 2.276 -5.458 12.726 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.153 -3.089 12.524 1.00 0.16 H new ATOM 0 HB3 ASP A 41 1.862 -2.753 11.387 1.00 0.16 H new ATOM 632 N LYS A 42 0.506 -4.710 10.032 1.00 0.10 N ATOM 633 CA LYS A 42 -0.755 -4.951 9.340 1.00 0.11 C ATOM 634 C LYS A 42 -1.024 -6.447 9.193 1.00 0.03 C ATOM 635 O LYS A 42 -2.135 -6.915 9.434 1.00 0.07 O ATOM 636 CB LYS A 42 -0.740 -4.284 7.964 1.00 0.19 C ATOM 637 CG LYS A 42 -0.877 -2.769 8.014 1.00 0.26 C ATOM 638 CD LYS A 42 -2.179 -2.300 7.385 1.00 0.28 C ATOM 639 CE LYS A 42 -3.371 -2.563 8.292 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.423 -1.612 9.433 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.175 -4.153 9.500 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.556 -4.517 9.938 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.191 -4.539 7.457 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -1.552 -4.693 7.363 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -0.832 -2.434 9.050 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -0.036 -2.310 7.494 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -2.115 -1.234 7.169 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.327 -2.810 6.433 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -4.291 -2.485 7.713 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -3.319 -3.583 8.672 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -3.610 -2.135 10.312 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -2.513 -1.115 9.512 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -4.183 -0.920 9.274 1.00 0.38 H new ATOM 654 N MET A 43 0.003 -7.198 8.807 1.00 0.07 N ATOM 655 CA MET A 43 -0.133 -8.641 8.628 1.00 0.12 C ATOM 656 C MET A 43 -0.519 -9.320 9.935 1.00 0.16 C ATOM 657 O MET A 43 -1.346 -10.229 9.953 1.00 0.35 O ATOM 658 CB MET A 43 1.172 -9.255 8.114 1.00 0.18 C ATOM 659 CG MET A 43 1.585 -8.782 6.730 1.00 0.16 C ATOM 660 SD MET A 43 3.039 -9.651 6.114 1.00 0.26 S ATOM 661 CE MET A 43 2.326 -11.228 5.662 1.00 0.29 C ATOM 0 H MET A 43 0.936 -6.834 8.613 1.00 0.07 H new ATOM 0 HA MET A 43 -0.921 -8.802 7.893 1.00 0.12 H new ATOM 0 HB2 MET A 43 1.971 -9.022 8.818 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.068 -10.340 8.098 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.757 -8.928 6.037 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.790 -7.712 6.761 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.929 -11.689 4.879 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.304 -11.881 6.535 1.00 0.29 H new ATOM 0 HE3 MET A 43 1.310 -11.077 5.296 1.00 0.29 H new ATOM 671 N HIS A 44 0.065 -8.852 11.028 1.00 0.02 N ATOM 672 CA HIS A 44 -0.192 -9.422 12.345 1.00 0.04 C ATOM 673 C HIS A 44 -1.643 -9.242 12.779 1.00 0.05 C ATOM 674 O HIS A 44 -2.277 -10.197 13.234 1.00 0.20 O ATOM 675 CB HIS A 44 0.749 -8.811 13.383 1.00 0.08 C ATOM 676 CG HIS A 44 2.026 -9.575 13.547 1.00 0.11 C ATOM 677 ND1 HIS A 44 3.190 -9.260 12.878 1.00 0.27 N ATOM 678 CD2 HIS A 44 2.314 -10.656 14.309 1.00 0.29 C ATOM 679 CE1 HIS A 44 4.135 -10.118 13.223 1.00 0.38 C ATOM 680 NE2 HIS A 44 3.628 -10.972 14.088 1.00 0.40 N ATOM 0 H HIS A 44 0.725 -8.074 11.030 1.00 0.02 H new ATOM 0 HA HIS A 44 -0.004 -10.493 12.274 1.00 0.04 H new ATOM 0 HB2 HIS A 44 0.981 -7.786 13.094 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.237 -8.763 14.344 1.00 0.08 H new ATOM 0 HD1 HIS A 44 3.304 -8.488 12.221 1.00 0.27 H new ATOM 0 HD2 HIS A 44 1.634 -11.173 14.969 1.00 0.29 H new ATOM 0 HE1 HIS A 44 5.151 -10.118 12.857 1.00 0.38 H new ATOM 689 N GLU A 45 -2.179 -8.032 12.626 1.00 0.16 N ATOM 690 CA GLU A 45 -3.556 -7.762 13.032 1.00 0.15 C ATOM 691 C GLU A 45 -4.563 -8.446 12.102 1.00 0.15 C ATOM 692 O GLU A 45 -5.675 -8.789 12.516 1.00 0.17 O ATOM 693 CB GLU A 45 -3.827 -6.254 13.090 1.00 0.12 C ATOM 694 CG GLU A 45 -3.937 -5.594 11.722 1.00 0.09 C ATOM 695 CD GLU A 45 -4.614 -4.244 11.779 1.00 0.12 C ATOM 696 OE1 GLU A 45 -5.784 -4.183 12.199 1.00 0.21 O1- ATOM 697 OE2 GLU A 45 -3.980 -3.237 11.407 1.00 0.16 O ATOM 0 H GLU A 45 -1.687 -7.232 12.229 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.684 -8.178 14.032 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.752 -6.082 13.641 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -3.027 -5.772 13.652 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.940 -5.478 11.298 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.495 -6.248 11.051 1.00 0.09 H new ATOM 704 N PHE A 46 -4.173 -8.652 10.851 1.00 0.15 N ATOM 705 CA PHE A 46 -5.048 -9.298 9.884 1.00 0.14 C ATOM 706 C PHE A 46 -5.036 -10.811 10.075 1.00 0.16 C ATOM 707 O PHE A 46 -6.032 -11.484 9.802 1.00 0.17 O ATOM 708 CB PHE A 46 -4.648 -8.934 8.454 1.00 0.14 C ATOM 709 CG PHE A 46 -5.346 -7.703 7.935 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.725 -7.684 7.789 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.625 -6.569 7.591 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.370 -6.557 7.311 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.265 -5.443 7.115 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.639 -5.435 6.974 1.00 0.17 C ATOM 0 H PHE A 46 -3.260 -8.382 10.484 1.00 0.15 H new ATOM 0 HA PHE A 46 -6.062 -8.937 10.054 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.570 -8.776 8.415 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.871 -9.774 7.797 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.302 -8.559 8.051 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.550 -6.567 7.697 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.444 -6.555 7.202 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.691 -4.567 6.852 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.140 -4.554 6.601 1.00 0.17 H new ATOM 724 N SER A 47 -3.913 -11.344 10.566 1.00 0.21 N ATOM 725 CA SER A 47 -3.787 -12.779 10.815 1.00 0.23 C ATOM 726 C SER A 47 -4.755 -13.207 11.918 1.00 0.21 C ATOM 727 O SER A 47 -5.193 -14.356 11.967 1.00 0.32 O ATOM 728 CB SER A 47 -2.352 -13.138 11.214 1.00 0.25 C ATOM 729 OG SER A 47 -1.435 -12.845 10.170 1.00 0.76 O ATOM 0 H SER A 47 -3.080 -10.802 10.798 1.00 0.21 H new ATOM 0 HA SER A 47 -4.033 -13.309 9.895 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.073 -12.585 12.111 1.00 0.25 H new ATOM 0 HB3 SER A 47 -2.296 -14.198 11.463 1.00 0.25 H new ATOM 0 HG SER A 47 -1.225 -11.888 10.178 1.00 0.76 H new ATOM 735 N GLU A 48 -5.094 -12.264 12.792 1.00 0.09 N ATOM 736 CA GLU A 48 -6.020 -12.522 13.888 1.00 0.08 C ATOM 737 C GLU A 48 -7.445 -12.664 13.358 1.00 0.10 C ATOM 738 O GLU A 48 -8.288 -13.335 13.958 1.00 0.07 O ATOM 739 CB GLU A 48 -5.945 -11.377 14.908 1.00 0.11 C ATOM 740 CG GLU A 48 -6.922 -11.505 16.068 1.00 0.06 C ATOM 741 CD GLU A 48 -7.879 -10.331 16.157 1.00 0.28 C ATOM 742 OE1 GLU A 48 -7.452 -9.191 15.882 1.00 0.61 O ATOM 743 OE2 GLU A 48 -9.064 -10.540 16.503 1.00 0.49 O1- ATOM 0 H GLU A 48 -4.738 -11.309 12.761 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.740 -13.455 14.377 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -4.932 -11.327 15.306 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.132 -10.435 14.393 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -7.493 -12.427 15.957 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -6.364 -11.586 17.001 1.00 0.06 H new ATOM 750 N LYS A 49 -7.697 -12.052 12.210 1.00 0.14 N ATOM 751 CA LYS A 49 -9.017 -12.083 11.600 1.00 0.18 C ATOM 752 C LYS A 49 -9.183 -13.331 10.736 1.00 0.27 C ATOM 753 O LYS A 49 -10.060 -14.158 10.992 1.00 0.38 O ATOM 754 CB LYS A 49 -9.256 -10.822 10.754 1.00 0.12 C ATOM 755 CG LYS A 49 -8.844 -9.516 11.431 1.00 0.20 C ATOM 756 CD LYS A 49 -9.675 -9.234 12.676 1.00 0.43 C ATOM 757 CE LYS A 49 -9.410 -7.833 13.219 1.00 0.64 C ATOM 758 NZ LYS A 49 -8.041 -7.696 13.784 1.00 0.88 N1+ ATOM 0 H LYS A 49 -7.001 -11.526 11.681 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.756 -12.111 12.401 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.707 -10.919 9.817 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.314 -10.766 10.499 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -7.789 -9.565 11.702 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.954 -8.692 10.727 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -10.734 -9.340 12.440 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -9.445 -9.973 13.444 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -9.545 -7.104 12.420 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -10.144 -7.600 13.990 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -7.808 -6.688 13.889 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -8.001 -8.160 14.714 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -7.355 -8.145 13.144 1.00 0.88 H new ATOM 772 N GLN A 50 -8.308 -13.466 9.734 1.00 0.30 N ATOM 773 CA GLN A 50 -8.332 -14.594 8.801 1.00 0.41 C ATOM 774 C GLN A 50 -9.728 -14.818 8.218 1.00 0.29 C ATOM 775 O GLN A 50 -10.495 -15.642 8.715 1.00 0.47 O ATOM 776 CB GLN A 50 -7.823 -15.869 9.477 1.00 0.63 C ATOM 777 CG GLN A 50 -6.312 -16.015 9.428 1.00 0.78 C ATOM 778 CD GLN A 50 -5.821 -17.281 10.098 1.00 0.93 C ATOM 779 OE1 GLN A 50 -5.719 -18.330 9.466 1.00 0.94 O ATOM 780 NE2 GLN A 50 -5.511 -17.192 11.380 1.00 1.07 N ATOM 0 H GLN A 50 -7.563 -12.795 9.548 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.665 -14.346 7.975 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -8.148 -15.874 10.518 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.280 -16.734 8.996 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -5.985 -16.010 8.388 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -5.853 -15.153 9.911 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -5.610 -16.302 11.868 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -5.173 -18.013 11.881 1.00 1.07 H new ATOM 789 N PRO A 51 -10.070 -14.090 7.140 1.00 0.11 N ATOM 790 CA PRO A 51 -11.382 -14.208 6.501 1.00 0.09 C ATOM 791 C PRO A 51 -11.627 -15.591 5.902 1.00 0.05 C ATOM 792 O PRO A 51 -12.680 -16.185 6.109 1.00 0.20 O ATOM 793 CB PRO A 51 -11.354 -13.142 5.401 1.00 0.32 C ATOM 794 CG PRO A 51 -9.913 -12.847 5.164 1.00 0.44 C ATOM 795 CD PRO A 51 -9.214 -13.091 6.473 1.00 0.34 C ATOM 0 HA PRO A 51 -12.188 -14.070 7.221 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -11.834 -13.504 4.492 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -11.892 -12.246 5.710 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -9.508 -13.488 4.381 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -9.775 -11.817 4.835 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -8.201 -13.466 6.323 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -9.132 -12.177 7.061 1.00 0.34 H new ATOM 803 N MET A 52 -10.650 -16.102 5.161 1.00 0.10 N ATOM 804 CA MET A 52 -10.782 -17.408 4.527 1.00 0.14 C ATOM 805 C MET A 52 -9.663 -18.350 4.959 1.00 0.14 C ATOM 806 O MET A 52 -9.460 -19.396 4.344 1.00 0.16 O ATOM 807 CB MET A 52 -10.789 -17.250 3.006 1.00 0.25 C ATOM 808 CG MET A 52 -11.968 -16.440 2.493 1.00 0.17 C ATOM 809 SD MET A 52 -11.475 -15.128 1.361 1.00 0.22 S ATOM 810 CE MET A 52 -13.053 -14.332 1.069 1.00 1.11 C ATOM 0 H MET A 52 -9.761 -15.634 4.985 1.00 0.10 H new ATOM 0 HA MET A 52 -11.727 -17.848 4.846 1.00 0.14 H new ATOM 0 HB2 MET A 52 -9.862 -16.769 2.693 1.00 0.25 H new ATOM 0 HB3 MET A 52 -10.807 -18.237 2.545 1.00 0.25 H new ATOM 0 HG2 MET A 52 -12.668 -17.106 1.988 1.00 0.17 H new ATOM 0 HG3 MET A 52 -12.498 -16.003 3.339 1.00 0.17 H new ATOM 0 HE1 MET A 52 -12.896 -13.405 0.517 1.00 1.11 H new ATOM 0 HE2 MET A 52 -13.694 -14.996 0.489 1.00 1.11 H new ATOM 0 HE3 MET A 52 -13.530 -14.109 2.023 1.00 1.11 H new ATOM 820 N LEU A 53 -8.949 -17.961 6.019 1.00 0.15 N ATOM 821 CA LEU A 53 -7.847 -18.757 6.575 1.00 0.17 C ATOM 822 C LEU A 53 -6.886 -19.245 5.488 1.00 0.20 C ATOM 823 O LEU A 53 -6.885 -20.423 5.124 1.00 0.41 O ATOM 824 CB LEU A 53 -8.397 -19.953 7.364 1.00 0.19 C ATOM 825 CG LEU A 53 -8.915 -19.637 8.771 1.00 0.36 C ATOM 826 CD1 LEU A 53 -10.253 -18.912 8.711 1.00 0.31 C ATOM 827 CD2 LEU A 53 -9.044 -20.911 9.586 1.00 0.51 C ATOM 0 H LEU A 53 -9.117 -17.087 6.517 1.00 0.15 H new ATOM 0 HA LEU A 53 -7.285 -18.107 7.246 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -9.208 -20.402 6.790 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.611 -20.704 7.446 1.00 0.19 H new ATOM 0 HG LEU A 53 -8.193 -18.980 9.256 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.598 -18.700 9.723 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.136 -17.976 8.164 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -10.985 -19.540 8.203 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -9.413 -20.669 10.583 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -9.743 -21.588 9.095 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -8.069 -21.392 9.667 1.00 0.51 H new ATOM 839 N ASP A 54 -6.062 -18.343 4.976 1.00 0.04 N ATOM 840 CA ASP A 54 -5.110 -18.689 3.930 1.00 0.08 C ATOM 841 C ASP A 54 -3.874 -17.806 4.034 1.00 0.06 C ATOM 842 O ASP A 54 -3.988 -16.591 4.188 1.00 0.07 O ATOM 843 CB ASP A 54 -5.771 -18.543 2.560 1.00 0.12 C ATOM 844 CG ASP A 54 -4.879 -19.004 1.430 1.00 0.14 C ATOM 845 OD1 ASP A 54 -4.105 -19.959 1.631 1.00 0.47 O1- ATOM 846 OD2 ASP A 54 -4.958 -18.405 0.335 1.00 0.21 O ATOM 0 H ASP A 54 -6.033 -17.366 5.267 1.00 0.04 H new ATOM 0 HA ASP A 54 -4.798 -19.726 4.055 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -6.697 -19.118 2.545 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -6.042 -17.499 2.401 1.00 0.12 H new ATOM 851 N VAL A 55 -2.696 -18.424 3.952 1.00 0.06 N ATOM 852 CA VAL A 55 -1.426 -17.701 4.074 1.00 0.07 C ATOM 853 C VAL A 55 -1.191 -16.704 2.924 1.00 0.06 C ATOM 854 O VAL A 55 -1.048 -15.508 3.183 1.00 0.06 O ATOM 855 CB VAL A 55 -0.230 -18.671 4.183 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.025 -17.934 4.621 1.00 0.08 C ATOM 857 CG2 VAL A 55 -0.545 -19.811 5.144 1.00 0.13 C ATOM 0 H VAL A 55 -2.593 -19.427 3.801 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.500 -17.125 4.996 1.00 0.07 H new ATOM 0 HB VAL A 55 -0.049 -19.096 3.196 1.00 0.09 H new ATOM 0 HG11 VAL A 55 1.854 -18.638 4.691 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.266 -17.160 3.892 1.00 0.08 H new ATOM 0 HG13 VAL A 55 0.856 -17.475 5.595 1.00 0.08 H new ATOM 0 HG21 VAL A 55 0.312 -20.482 5.205 1.00 0.13 H new ATOM 0 HG22 VAL A 55 -0.759 -19.405 6.133 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -1.413 -20.362 4.782 1.00 0.13 H new ATOM 867 N PRO A 56 -1.129 -17.154 1.643 1.00 0.05 N ATOM 868 CA PRO A 56 -0.913 -16.241 0.510 1.00 0.04 C ATOM 869 C PRO A 56 -1.991 -15.164 0.441 1.00 0.04 C ATOM 870 O PRO A 56 -1.718 -14.014 0.089 1.00 0.04 O ATOM 871 CB PRO A 56 -0.980 -17.149 -0.727 1.00 0.05 C ATOM 872 CG PRO A 56 -1.626 -18.407 -0.257 1.00 0.06 C ATOM 873 CD PRO A 56 -1.248 -18.552 1.190 1.00 0.06 C ATOM 0 HA PRO A 56 0.034 -15.707 0.595 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.559 -16.684 -1.525 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.015 -17.343 -1.127 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.709 -18.357 -0.374 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -1.282 -19.263 -0.838 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -2.007 -19.096 1.753 1.00 0.06 H new ATOM 0 HD3 PRO A 56 -0.311 -19.096 1.310 1.00 0.06 H new ATOM 881 N LYS A 57 -3.207 -15.550 0.804 1.00 0.05 N ATOM 882 CA LYS A 57 -4.347 -14.640 0.807 1.00 0.05 C ATOM 883 C LYS A 57 -4.155 -13.545 1.851 1.00 0.06 C ATOM 884 O LYS A 57 -4.503 -12.388 1.629 1.00 0.08 O ATOM 885 CB LYS A 57 -5.620 -15.422 1.112 1.00 0.06 C ATOM 886 CG LYS A 57 -6.899 -14.749 0.657 1.00 0.09 C ATOM 887 CD LYS A 57 -8.095 -15.670 0.850 1.00 0.11 C ATOM 888 CE LYS A 57 -8.410 -16.470 -0.408 1.00 0.12 C ATOM 889 NZ LYS A 57 -7.366 -17.481 -0.733 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.432 -16.499 1.104 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.428 -14.174 -0.175 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.552 -16.401 0.638 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -5.677 -15.592 2.187 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -7.050 -13.828 1.219 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.815 -14.471 -0.394 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -7.896 -16.355 1.674 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -8.966 -15.078 1.131 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -9.368 -16.974 -0.281 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -8.519 -15.785 -1.249 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -7.820 -18.350 -1.081 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -6.734 -17.103 -1.467 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -6.814 -17.697 0.122 1.00 0.10 H new ATOM 903 N LEU A 58 -3.583 -13.926 2.985 1.00 0.05 N ATOM 904 CA LEU A 58 -3.335 -12.991 4.082 1.00 0.06 C ATOM 905 C LEU A 58 -2.305 -11.947 3.654 1.00 0.06 C ATOM 906 O LEU A 58 -2.404 -10.772 4.007 1.00 0.08 O ATOM 907 CB LEU A 58 -2.831 -13.756 5.327 1.00 0.06 C ATOM 908 CG LEU A 58 -3.305 -13.245 6.697 1.00 0.11 C ATOM 909 CD1 LEU A 58 -2.767 -11.854 6.986 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.827 -13.268 6.796 1.00 0.17 C ATOM 0 H LEU A 58 -3.279 -14.881 3.173 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.267 -12.485 4.334 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.134 -14.798 5.230 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.741 -13.739 5.317 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.906 -13.921 7.454 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -3.121 -11.523 7.962 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.677 -11.878 6.984 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -3.116 -11.162 6.219 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -5.133 -12.901 7.776 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -5.252 -12.630 6.021 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -5.185 -14.289 6.662 1.00 0.17 H new ATOM 922 N ALA A 59 -1.338 -12.389 2.864 1.00 0.05 N ATOM 923 CA ALA A 59 -0.279 -11.518 2.378 1.00 0.06 C ATOM 924 C ALA A 59 -0.832 -10.419 1.473 1.00 0.08 C ATOM 925 O ALA A 59 -0.589 -9.236 1.703 1.00 0.11 O ATOM 926 CB ALA A 59 0.771 -12.338 1.645 1.00 0.06 C ATOM 0 H ALA A 59 -1.265 -13.355 2.544 1.00 0.05 H new ATOM 0 HA ALA A 59 0.184 -11.033 3.237 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.561 -11.679 1.284 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.197 -13.076 2.325 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.309 -12.848 0.800 1.00 0.06 H new ATOM 932 N VAL A 60 -1.585 -10.807 0.451 1.00 0.05 N ATOM 933 CA VAL A 60 -2.152 -9.839 -0.486 1.00 0.07 C ATOM 934 C VAL A 60 -3.275 -9.014 0.156 1.00 0.07 C ATOM 935 O VAL A 60 -3.516 -7.868 -0.236 1.00 0.08 O ATOM 936 CB VAL A 60 -2.668 -10.527 -1.775 1.00 0.07 C ATOM 937 CG1 VAL A 60 -3.710 -11.584 -1.458 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.222 -9.501 -2.752 1.00 0.08 C ATOM 0 H VAL A 60 -1.818 -11.779 0.249 1.00 0.05 H new ATOM 0 HA VAL A 60 -1.344 -9.160 -0.758 1.00 0.07 H new ATOM 0 HB VAL A 60 -1.820 -11.025 -2.246 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.051 -12.047 -2.384 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -3.272 -12.344 -0.812 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -4.556 -11.120 -0.951 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -3.578 -10.008 -3.649 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.048 -8.964 -2.286 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -2.437 -8.795 -3.022 1.00 0.08 H new ATOM 948 N LEU A 61 -3.930 -9.585 1.162 1.00 0.07 N ATOM 949 CA LEU A 61 -5.023 -8.909 1.854 1.00 0.08 C ATOM 950 C LEU A 61 -4.556 -7.590 2.469 1.00 0.08 C ATOM 951 O LEU A 61 -5.319 -6.627 2.553 1.00 0.08 O ATOM 952 CB LEU A 61 -5.604 -9.812 2.946 1.00 0.10 C ATOM 953 CG LEU A 61 -6.848 -9.267 3.649 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.040 -9.246 2.704 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.159 -10.090 4.887 1.00 0.07 C ATOM 0 H LEU A 61 -3.722 -10.518 1.518 1.00 0.07 H new ATOM 0 HA LEU A 61 -5.797 -8.691 1.118 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -5.850 -10.777 2.504 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -4.833 -9.992 3.695 1.00 0.10 H new ATOM 0 HG LEU A 61 -6.645 -8.241 3.957 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -8.912 -8.854 3.227 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -7.815 -8.610 1.848 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.248 -10.259 2.359 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.047 -9.690 5.376 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.339 -11.126 4.600 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.315 -10.046 5.575 1.00 0.07 H new ATOM 967 N THR A 62 -3.301 -7.545 2.884 1.00 0.10 N ATOM 968 CA THR A 62 -2.758 -6.338 3.481 1.00 0.11 C ATOM 969 C THR A 62 -2.550 -5.259 2.426 1.00 0.10 C ATOM 970 O THR A 62 -2.897 -4.099 2.639 1.00 0.13 O ATOM 971 CB THR A 62 -1.427 -6.611 4.210 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.442 -7.096 3.287 1.00 0.12 O ATOM 973 CG2 THR A 62 -1.623 -7.622 5.324 1.00 0.15 C ATOM 0 H THR A 62 -2.645 -8.323 2.819 1.00 0.10 H new ATOM 0 HA THR A 62 -3.485 -5.989 4.214 1.00 0.11 H new ATOM 0 HB THR A 62 -1.080 -5.673 4.643 1.00 0.13 H new ATOM 0 HG1 THR A 62 -0.743 -7.947 2.905 1.00 0.12 H new ATOM 0 HG21 THR A 62 -0.672 -7.800 5.825 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.345 -7.236 6.043 1.00 0.15 H new ATOM 0 HG23 THR A 62 -1.993 -8.558 4.905 1.00 0.15 H new ATOM 981 N ALA A 63 -2.016 -5.659 1.278 1.00 0.08 N ATOM 982 CA ALA A 63 -1.741 -4.738 0.177 1.00 0.08 C ATOM 983 C ALA A 63 -2.991 -3.993 -0.278 1.00 0.07 C ATOM 984 O ALA A 63 -2.964 -2.776 -0.465 1.00 0.08 O ATOM 985 CB ALA A 63 -1.130 -5.491 -0.994 1.00 0.08 C ATOM 0 H ALA A 63 -1.761 -6.627 1.082 1.00 0.08 H new ATOM 0 HA ALA A 63 -1.034 -3.995 0.545 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.929 -4.795 -1.809 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.198 -5.960 -0.679 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -1.825 -6.259 -1.335 1.00 0.08 H new ATOM 991 N VAL A 64 -4.085 -4.724 -0.438 1.00 0.07 N ATOM 992 CA VAL A 64 -5.336 -4.133 -0.893 1.00 0.08 C ATOM 993 C VAL A 64 -5.952 -3.199 0.154 1.00 0.09 C ATOM 994 O VAL A 64 -6.662 -2.257 -0.197 1.00 0.12 O ATOM 995 CB VAL A 64 -6.356 -5.219 -1.314 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.848 -6.025 -0.121 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.525 -4.594 -2.060 1.00 0.12 C ATOM 0 H VAL A 64 -4.132 -5.727 -0.260 1.00 0.07 H new ATOM 0 HA VAL A 64 -5.092 -3.531 -1.768 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.843 -5.909 -1.984 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.562 -6.776 -0.459 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.002 -6.518 0.359 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.333 -5.359 0.593 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.231 -5.373 -2.348 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -8.024 -3.872 -1.414 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -7.158 -4.089 -2.953 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.669 -3.432 1.432 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.225 -2.585 2.479 1.00 0.09 C ATOM 1009 C GLN A 65 -5.316 -1.395 2.782 1.00 0.07 C ATOM 1010 O GLN A 65 -5.791 -0.329 3.168 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.507 -3.387 3.751 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.881 -4.063 3.749 1.00 0.10 C ATOM 1013 CD GLN A 65 -9.027 -3.124 4.088 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -10.060 -3.558 4.592 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -8.866 -1.835 3.821 1.00 0.31 N ATOM 0 H GLN A 65 -5.068 -4.187 1.763 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.172 -2.194 2.107 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.736 -4.148 3.871 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -6.437 -2.724 4.613 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -8.060 -4.499 2.766 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.873 -4.884 4.465 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -7.996 -1.506 3.402 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -9.612 -1.173 4.034 1.00 0.31 H new ATOM 1024 N ILE A 66 -4.013 -1.576 2.607 1.00 0.02 N ATOM 1025 CA ILE A 66 -3.064 -0.494 2.845 1.00 0.03 C ATOM 1026 C ILE A 66 -3.223 0.581 1.777 1.00 0.05 C ATOM 1027 O ILE A 66 -3.220 1.778 2.065 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.599 -1.001 2.844 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.347 -1.892 4.062 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.623 0.172 2.832 1.00 0.71 C ATOM 1031 CD1 ILE A 66 -0.030 -2.643 4.012 1.00 1.29 C ATOM 0 H ILE A 66 -3.591 -2.454 2.304 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.281 -0.080 3.830 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.438 -1.589 1.940 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -1.369 -1.276 4.961 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -2.161 -2.611 4.148 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.400 -0.205 2.832 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.788 0.774 1.938 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.782 0.787 3.718 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.076 -3.252 4.910 1.00 1.29 H new ATOM 0 HD12 ILE A 66 -0.011 -3.287 3.132 1.00 1.29 H new ATOM 0 HD13 ILE A 66 0.793 -1.931 3.958 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.397 0.139 0.541 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.548 1.051 -0.578 1.00 0.05 C ATOM 1045 C ALA A 67 -4.869 1.814 -0.521 1.00 0.04 C ATOM 1046 O ALA A 67 -4.942 2.951 -0.973 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.429 0.292 -1.889 1.00 0.06 C ATOM 0 H ALA A 67 -3.437 -0.849 0.289 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.747 1.788 -0.514 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.544 0.985 -2.722 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.451 -0.185 -1.946 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.207 -0.469 -1.941 1.00 0.06 H new ATOM 1053 N SER A 68 -5.910 1.207 0.043 1.00 0.05 N ATOM 1054 CA SER A 68 -7.212 1.866 0.127 1.00 0.07 C ATOM 1055 C SER A 68 -7.203 2.995 1.155 1.00 0.08 C ATOM 1056 O SER A 68 -7.696 4.094 0.880 1.00 0.12 O ATOM 1057 CB SER A 68 -8.310 0.850 0.450 1.00 0.07 C ATOM 1058 OG SER A 68 -7.782 -0.270 1.132 1.00 0.04 O ATOM 0 H SER A 68 -5.880 0.270 0.445 1.00 0.05 H new ATOM 0 HA SER A 68 -7.423 2.308 -0.847 1.00 0.07 H new ATOM 0 HB2 SER A 68 -9.079 1.323 1.061 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.791 0.524 -0.472 1.00 0.07 H new ATOM 0 HG SER A 68 -7.736 -1.034 0.520 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.628 2.741 2.327 1.00 0.08 N ATOM 1065 CA GLU A 69 -6.567 3.758 3.375 1.00 0.14 C ATOM 1066 C GLU A 69 -5.560 4.850 3.016 1.00 0.10 C ATOM 1067 O GLU A 69 -5.569 5.936 3.593 1.00 0.10 O ATOM 1068 CB GLU A 69 -6.215 3.134 4.732 1.00 0.19 C ATOM 1069 CG GLU A 69 -4.862 2.449 4.765 1.00 0.29 C ATOM 1070 CD GLU A 69 -4.290 2.367 6.163 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -3.680 3.357 6.616 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -4.455 1.316 6.822 1.00 0.82 O ATOM 0 H GLU A 69 -6.201 1.848 2.575 1.00 0.08 H new ATOM 0 HA GLU A 69 -7.555 4.211 3.454 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -6.235 3.913 5.494 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -6.984 2.409 4.997 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -4.957 1.444 4.355 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -4.168 2.991 4.123 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.693 4.554 2.058 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.689 5.510 1.619 1.00 0.04 C ATOM 1081 C TYR A 70 -4.155 6.259 0.372 1.00 0.03 C ATOM 1082 O TYR A 70 -3.737 7.393 0.127 1.00 0.04 O ATOM 1083 CB TYR A 70 -2.367 4.797 1.342 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.384 4.860 2.488 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -1.818 4.900 3.808 1.00 0.37 C ATOM 1086 CD2 TYR A 70 -0.017 4.886 2.251 1.00 0.36 C ATOM 1087 CE1 TYR A 70 -0.918 4.970 4.855 1.00 0.46 C ATOM 1088 CE2 TYR A 70 0.892 4.959 3.291 1.00 0.47 C ATOM 1089 CZ TYR A 70 0.437 4.997 4.592 1.00 0.44 C ATOM 1090 OH TYR A 70 1.340 5.083 5.634 1.00 0.58 O ATOM 0 H TYR A 70 -4.665 3.659 1.570 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.540 6.237 2.417 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.571 3.752 1.109 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.907 5.237 0.457 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -2.877 4.876 4.019 1.00 0.37 H new ATOM 0 HD2 TYR A 70 0.344 4.848 1.234 1.00 0.36 H new ATOM 0 HE1 TYR A 70 -1.273 5.003 5.874 1.00 0.46 H new ATOM 0 HE2 TYR A 70 1.952 4.986 3.085 1.00 0.47 H new ATOM 0 HH TYR A 70 2.252 5.090 5.276 1.00 0.58 H new ATOM 1100 N LEU A 71 -5.025 5.629 -0.409 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.555 6.242 -1.626 1.00 0.11 C ATOM 1102 C LEU A 71 -6.392 7.467 -1.274 1.00 0.12 C ATOM 1103 O LEU A 71 -6.338 8.493 -1.954 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.401 5.234 -2.413 1.00 0.13 C ATOM 1105 CG LEU A 71 -6.626 5.571 -3.900 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.349 5.369 -4.716 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -7.758 4.733 -4.492 1.00 0.23 C ATOM 0 H LEU A 71 -5.380 4.691 -0.222 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.717 6.552 -2.250 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -5.923 4.257 -2.349 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.373 5.145 -1.928 1.00 0.13 H new ATOM 0 HG LEU A 71 -6.907 6.623 -3.951 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.542 5.615 -5.760 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -4.563 6.018 -4.329 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -5.030 4.329 -4.641 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -7.893 4.993 -5.542 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -7.509 3.675 -4.410 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -8.681 4.932 -3.947 1.00 0.23 H new ATOM 1119 N LYS A 72 -7.154 7.357 -0.192 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.994 8.456 0.265 1.00 0.16 C ATOM 1121 C LYS A 72 -7.145 9.552 0.913 1.00 0.16 C ATOM 1122 O LYS A 72 -7.641 10.634 1.223 1.00 0.30 O ATOM 1123 CB LYS A 72 -9.038 7.955 1.264 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.439 7.355 2.527 1.00 0.18 C ATOM 1125 CD LYS A 72 -9.467 7.256 3.642 1.00 0.22 C ATOM 1126 CE LYS A 72 -9.905 8.630 4.124 1.00 0.25 C ATOM 1127 NZ LYS A 72 -10.697 8.553 5.378 1.00 0.24 N1+ ATOM 0 H LYS A 72 -7.207 6.517 0.385 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.505 8.872 -0.603 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.690 8.783 1.540 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.663 7.206 0.778 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -8.043 6.363 2.307 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.600 7.967 2.858 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -10.335 6.700 3.289 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -9.047 6.694 4.476 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.026 9.254 4.288 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -10.499 9.114 3.349 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -10.976 9.511 5.672 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -11.549 7.979 5.216 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -10.122 8.115 6.126 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.865 9.265 1.115 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.952 10.220 1.724 1.00 0.05 C ATOM 1143 C LEU A 73 -4.267 11.051 0.642 1.00 0.05 C ATOM 1144 O LEU A 73 -4.171 12.273 0.753 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.911 9.472 2.583 1.00 0.14 C ATOM 1146 CG LEU A 73 -3.121 10.299 3.620 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -2.044 11.144 2.952 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -4.044 11.180 4.453 1.00 0.24 C ATOM 0 H LEU A 73 -5.436 8.374 0.864 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.513 10.895 2.370 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.425 8.670 3.113 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.194 9.002 1.910 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.634 9.590 4.289 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -1.506 11.714 3.710 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -1.346 10.494 2.424 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -2.507 11.830 2.243 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -3.454 11.748 5.172 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -4.578 11.868 3.798 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -4.761 10.555 4.985 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.809 10.386 -0.414 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.132 11.079 -1.509 1.00 0.18 C ATOM 1162 C LYS A 74 -4.087 12.023 -2.238 1.00 0.21 C ATOM 1163 O LYS A 74 -3.663 13.028 -2.806 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.503 10.085 -2.499 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.481 9.079 -3.097 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.647 9.256 -4.604 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.371 8.918 -5.368 1.00 0.26 C ATOM 1168 NZ LYS A 74 -2.662 8.372 -6.722 1.00 0.15 N1+ ATOM 0 H LYS A 74 -3.892 9.377 -0.536 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.330 11.673 -1.070 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.038 10.645 -3.310 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.708 9.540 -1.990 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.131 8.068 -2.889 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.451 9.187 -2.612 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -4.459 8.619 -4.956 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.934 10.285 -4.818 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -1.756 9.813 -5.462 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -1.790 8.191 -4.801 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -2.499 7.345 -6.724 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -3.653 8.566 -6.969 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.037 8.823 -7.420 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.371 11.703 -2.212 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.368 12.538 -2.868 1.00 0.27 C ATOM 1184 C GLU A 75 -6.664 13.777 -2.024 1.00 0.23 C ATOM 1185 O GLU A 75 -7.074 14.814 -2.549 1.00 0.32 O ATOM 1186 CB GLU A 75 -7.654 11.753 -3.107 1.00 0.36 C ATOM 1187 CG GLU A 75 -8.497 11.598 -1.859 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.890 11.115 -2.160 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -10.674 11.882 -2.752 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -10.214 9.979 -1.792 1.00 1.57 O1- ATOM 0 H GLU A 75 -5.747 10.877 -1.747 1.00 0.18 H new ATOM 0 HA GLU A 75 -5.967 12.853 -3.831 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.242 12.256 -3.875 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -7.403 10.765 -3.493 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -8.011 10.896 -1.181 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -8.552 12.555 -1.341 1.00 0.51 H new ATOM 1197 N GLU A 76 -6.442 13.664 -0.714 1.00 0.13 N ATOM 1198 CA GLU A 76 -6.671 14.770 0.213 1.00 0.10 C ATOM 1199 C GLU A 76 -5.785 15.948 -0.178 1.00 0.05 C ATOM 1200 O GLU A 76 -6.108 17.113 0.076 1.00 0.03 O ATOM 1201 CB GLU A 76 -6.366 14.325 1.644 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.826 15.304 2.706 1.00 0.19 C ATOM 1203 CD GLU A 76 -8.318 15.247 2.945 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -8.823 14.161 3.292 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -8.989 16.291 2.795 1.00 1.56 O ATOM 0 H GLU A 76 -6.102 12.811 -0.270 1.00 0.13 H new ATOM 0 HA GLU A 76 -7.716 15.077 0.163 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -6.842 13.361 1.823 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -5.291 14.174 1.745 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.304 15.093 3.639 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -6.548 16.315 2.407 1.00 0.19 H new ATOM 1212 N TYR A 77 -4.663 15.615 -0.803 1.00 0.06 N ATOM 1213 CA TYR A 77 -3.711 16.598 -1.277 1.00 0.05 C ATOM 1214 C TYR A 77 -4.345 17.427 -2.391 1.00 0.07 C ATOM 1215 O TYR A 77 -4.341 18.657 -2.347 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.452 15.875 -1.781 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.428 16.759 -2.461 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.177 18.050 -2.013 1.00 0.14 C ATOM 1219 CD2 TYR A 77 -0.703 16.291 -3.548 1.00 0.12 C ATOM 1220 CE1 TYR A 77 -0.239 18.852 -2.636 1.00 0.17 C ATOM 1221 CE2 TYR A 77 0.236 17.085 -4.177 1.00 0.16 C ATOM 1222 CZ TYR A 77 0.469 18.365 -3.716 1.00 0.18 C ATOM 1223 OH TYR A 77 1.412 19.159 -4.334 1.00 0.21 O ATOM 0 H TYR A 77 -4.391 14.651 -0.994 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.430 17.271 -0.467 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -1.975 15.378 -0.936 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.756 15.095 -2.479 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.724 18.433 -1.164 1.00 0.14 H new ATOM 0 HD2 TYR A 77 -0.876 15.288 -3.909 1.00 0.12 H new ATOM 0 HE1 TYR A 77 -0.061 19.856 -2.279 1.00 0.17 H new ATOM 0 HE2 TYR A 77 0.786 16.706 -5.026 1.00 0.16 H new ATOM 0 HH TYR A 77 1.820 18.665 -5.076 1.00 0.21 H new ATOM 1233 N GLN A 78 -4.924 16.738 -3.366 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.562 17.393 -4.497 1.00 0.13 C ATOM 1235 C GLN A 78 -6.810 18.152 -4.065 1.00 0.06 C ATOM 1236 O GLN A 78 -7.074 19.245 -4.554 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.932 16.365 -5.567 1.00 0.19 C ATOM 1238 CG GLN A 78 -4.738 15.797 -6.322 1.00 0.23 C ATOM 1239 CD GLN A 78 -3.919 16.871 -7.013 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -4.436 17.931 -7.368 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -2.639 16.599 -7.215 1.00 0.26 N ATOM 0 H GLN A 78 -4.964 15.719 -3.394 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.850 18.107 -4.911 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.474 15.545 -5.096 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -6.613 16.828 -6.281 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -4.101 15.250 -5.627 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -5.090 15.080 -7.064 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -2.252 15.708 -6.904 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -2.040 17.281 -7.681 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.555 17.566 -3.131 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.803 18.151 -2.631 1.00 0.11 C ATOM 1252 C ARG A 79 -8.660 19.623 -2.246 1.00 0.17 C ATOM 1253 O ARG A 79 -9.493 20.447 -2.624 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.320 17.371 -1.420 1.00 0.18 C ATOM 1255 CG ARG A 79 -9.933 16.020 -1.753 1.00 0.46 C ATOM 1256 CD ARG A 79 -10.743 15.489 -0.580 1.00 0.78 C ATOM 1257 NE ARG A 79 -10.989 14.049 -0.664 1.00 1.20 N ATOM 1258 CZ ARG A 79 -11.371 13.300 0.379 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -11.542 13.857 1.572 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -11.584 11.997 0.225 1.00 1.78 N ATOM 0 H ARG A 79 -7.314 16.674 -2.698 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.515 18.087 -3.454 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -8.496 17.220 -0.723 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.066 17.977 -0.905 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -10.573 16.113 -2.630 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -9.145 15.311 -2.007 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -10.216 15.709 0.348 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -11.697 16.014 -0.537 1.00 0.78 H new ATOM 0 HE ARG A 79 -10.863 13.590 -1.566 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -11.383 14.857 1.696 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -11.833 13.285 2.365 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -11.457 11.564 -0.690 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -11.875 11.430 1.022 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.617 19.959 -1.501 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.428 21.340 -1.075 1.00 0.17 C ATOM 1276 C LEU A 80 -6.644 22.139 -2.109 1.00 0.18 C ATOM 1277 O LEU A 80 -6.807 23.349 -2.213 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.739 21.406 0.298 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.249 21.027 0.330 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -4.363 22.260 0.186 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.912 20.290 1.616 1.00 0.23 C ATOM 0 H LEU A 80 -6.899 19.308 -1.183 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.416 21.791 -0.983 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.843 22.420 0.685 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -7.275 20.748 0.982 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.057 20.367 -0.516 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -3.315 21.960 0.212 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -4.576 22.752 -0.763 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -4.564 22.950 1.006 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.853 20.030 1.620 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -5.132 20.930 2.470 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -5.509 19.380 1.681 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.810 21.464 -2.884 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.005 22.144 -3.888 1.00 0.21 C ATOM 1295 C ARG A 81 -5.862 22.635 -5.049 1.00 0.22 C ATOM 1296 O ARG A 81 -5.643 23.731 -5.566 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.897 21.227 -4.398 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.700 21.163 -3.462 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.624 22.171 -3.840 1.00 0.43 C ATOM 1300 NE ARG A 81 -2.083 23.556 -3.705 1.00 0.50 N ATOM 1301 CZ ARG A 81 -1.472 24.597 -4.274 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.379 24.408 -5.009 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -1.943 25.826 -4.101 1.00 0.54 N ATOM 0 H ARG A 81 -5.673 20.454 -2.839 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.551 23.014 -3.414 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.298 20.223 -4.535 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.567 21.575 -5.377 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -3.029 21.351 -2.440 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.278 20.158 -3.482 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.749 22.018 -3.208 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -1.310 21.994 -4.869 1.00 0.43 H new ATOM 0 HE ARG A 81 -2.916 23.734 -3.145 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -0.008 23.467 -5.138 1.00 0.71 H new ATOM 0 HH12 ARG A 81 0.087 25.204 -5.444 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -2.775 25.978 -3.531 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -1.473 26.619 -4.538 1.00 0.54 H new ATOM 1317 N GLU A 82 -6.850 21.840 -5.440 1.00 0.13 N ATOM 1318 CA GLU A 82 -7.728 22.202 -6.546 1.00 0.14 C ATOM 1319 C GLU A 82 -8.626 23.380 -6.174 1.00 0.14 C ATOM 1320 O GLU A 82 -8.986 24.186 -7.029 1.00 0.14 O ATOM 1321 CB GLU A 82 -8.579 21.006 -6.988 1.00 0.14 C ATOM 1322 CG GLU A 82 -9.528 20.479 -5.922 1.00 0.06 C ATOM 1323 CD GLU A 82 -10.501 19.462 -6.471 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -10.140 18.746 -7.425 1.00 0.84 O ATOM 1325 OE2 GLU A 82 -11.637 19.382 -5.967 1.00 1.21 O1- ATOM 0 H GLU A 82 -7.064 20.941 -5.008 1.00 0.13 H new ATOM 0 HA GLU A 82 -7.095 22.503 -7.381 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -9.160 21.294 -7.864 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -7.915 20.198 -7.297 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -8.950 20.027 -5.116 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -10.082 21.312 -5.489 1.00 0.06 H new ATOM 1332 N GLN A 83 -8.976 23.486 -4.897 1.00 0.14 N ATOM 1333 CA GLN A 83 -9.831 24.573 -4.444 1.00 0.14 C ATOM 1334 C GLN A 83 -9.003 25.814 -4.121 1.00 0.13 C ATOM 1335 O GLN A 83 -9.517 26.933 -4.117 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.658 24.139 -3.225 1.00 0.14 C ATOM 1337 CG GLN A 83 -9.918 24.226 -1.896 1.00 0.11 C ATOM 1338 CD GLN A 83 -10.708 23.632 -0.745 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -11.418 22.635 -0.904 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -10.605 24.252 0.419 1.00 0.65 N ATOM 0 H GLN A 83 -8.684 22.839 -4.165 1.00 0.14 H new ATOM 0 HA GLN A 83 -10.519 24.825 -5.251 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -11.553 24.759 -3.169 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -10.991 23.112 -3.375 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -8.963 23.707 -1.982 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -9.695 25.270 -1.677 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -10.007 25.073 0.508 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -11.124 23.909 1.227 1.00 0.65 H new ATOM 1349 N LEU A 84 -7.717 25.611 -3.856 1.00 0.13 N ATOM 1350 CA LEU A 84 -6.821 26.716 -3.536 1.00 0.10 C ATOM 1351 C LEU A 84 -6.347 27.400 -4.811 1.00 0.05 C ATOM 1352 O LEU A 84 -6.039 28.593 -4.812 1.00 0.17 O ATOM 1353 CB LEU A 84 -5.610 26.235 -2.721 1.00 0.13 C ATOM 1354 CG LEU A 84 -5.559 26.703 -1.256 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -5.526 28.224 -1.161 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -6.741 26.152 -0.472 1.00 0.15 C ATOM 0 H LEU A 84 -7.272 24.693 -3.856 1.00 0.13 H new ATOM 0 HA LEU A 84 -7.378 27.431 -2.931 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -5.596 25.145 -2.735 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -4.702 26.572 -3.222 1.00 0.13 H new ATOM 0 HG LEU A 84 -4.639 26.316 -0.819 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -5.490 28.522 -0.113 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -4.643 28.602 -1.676 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -6.421 28.637 -1.626 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -6.684 26.496 0.561 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -7.670 26.503 -0.921 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -6.716 25.063 -0.494 1.00 0.15 H new ATOM 1368 N LYS A 85 -6.287 26.636 -5.894 1.00 0.12 N ATOM 1369 CA LYS A 85 -5.857 27.171 -7.177 1.00 0.08 C ATOM 1370 C LYS A 85 -7.053 27.712 -7.949 1.00 0.11 C ATOM 1371 O LYS A 85 -8.200 27.552 -7.526 1.00 0.11 O ATOM 1372 CB LYS A 85 -5.144 26.096 -8.005 1.00 0.02 C ATOM 1373 CG LYS A 85 -6.095 25.173 -8.757 1.00 0.15 C ATOM 1374 CD LYS A 85 -5.358 24.267 -9.737 1.00 0.18 C ATOM 1375 CE LYS A 85 -6.314 23.655 -10.751 1.00 0.27 C ATOM 1376 NZ LYS A 85 -6.746 24.639 -11.782 1.00 0.48 N1+ ATOM 0 H LYS A 85 -6.530 25.646 -5.909 1.00 0.12 H new ATOM 0 HA LYS A 85 -5.156 27.984 -6.989 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -4.481 26.581 -8.721 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -4.517 25.497 -7.344 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -6.647 24.562 -8.043 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -6.828 25.771 -9.298 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -4.590 24.839 -10.257 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -4.849 23.474 -9.190 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -5.830 22.809 -11.239 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -7.190 23.266 -10.233 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -7.764 24.527 -11.964 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -6.560 25.604 -11.441 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -6.217 24.475 -12.662 1.00 0.48 H new ATOM 1390 N LYS A 86 -6.785 28.347 -9.077 1.00 0.23 N ATOM 1391 CA LYS A 86 -7.841 28.902 -9.903 1.00 0.30 C ATOM 1392 C LYS A 86 -7.713 28.375 -11.332 1.00 0.31 C ATOM 1393 O LYS A 86 -7.179 27.256 -11.504 1.00 0.34 O ATOM 1394 CB LYS A 86 -7.779 30.436 -9.877 1.00 0.35 C ATOM 1395 CG LYS A 86 -8.064 31.031 -8.503 1.00 0.42 C ATOM 1396 CD LYS A 86 -7.676 32.501 -8.430 1.00 0.38 C ATOM 1397 CE LYS A 86 -8.041 33.111 -7.082 1.00 0.40 C ATOM 1398 NZ LYS A 86 -7.307 32.475 -5.953 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -8.140 29.074 -12.273 1.00 0.35 O1- ATOM 0 H LYS A 86 -5.843 28.491 -9.441 1.00 0.23 H new ATOM 0 HA LYS A 86 -8.808 28.593 -9.507 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -6.791 30.758 -10.206 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -8.498 30.833 -10.593 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -9.124 30.923 -8.274 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -7.515 30.473 -7.745 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -6.604 32.604 -8.598 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -8.178 33.050 -9.227 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -7.822 34.179 -7.098 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -9.114 33.008 -6.918 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -7.484 33.009 -5.079 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -7.636 31.496 -5.833 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -6.287 32.475 -6.158 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -39.419 -5.996 12.563 1.00 1.09 N ATOM 1415 CA GLY B 1 -39.494 -4.775 13.402 1.00 0.31 C ATOM 1416 C GLY B 1 -38.468 -3.749 12.982 1.00 0.29 C ATOM 1417 O GLY B 1 -37.269 -4.026 12.993 1.00 0.69 O ATOM 0 H1 GLY B 1 -40.137 -6.679 12.879 1.00 1.09 H new ATOM 0 H2 GLY B 1 -39.593 -5.745 11.569 1.00 1.09 H new ATOM 0 H3 GLY B 1 -38.474 -6.421 12.652 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -40.492 -4.343 13.329 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -39.337 -5.041 14.447 1.00 0.31 H new ATOM 1423 N SER B 2 -38.936 -2.566 12.610 1.00 0.38 N ATOM 1424 CA SER B 2 -38.055 -1.497 12.175 1.00 0.63 C ATOM 1425 C SER B 2 -37.352 -0.861 13.369 1.00 0.42 C ATOM 1426 O SER B 2 -37.958 -0.663 14.423 1.00 0.44 O ATOM 1427 CB SER B 2 -38.865 -0.446 11.417 1.00 1.08 C ATOM 1428 OG SER B 2 -39.866 -1.054 10.612 1.00 1.47 O ATOM 0 H SER B 2 -39.927 -2.324 12.602 1.00 0.38 H new ATOM 0 HA SER B 2 -37.294 -1.912 11.514 1.00 0.63 H new ATOM 0 HB2 SER B 2 -39.330 0.239 12.125 1.00 1.08 H new ATOM 0 HB3 SER B 2 -38.200 0.147 10.789 1.00 1.08 H new ATOM 0 HG SER B 2 -40.371 -0.360 10.139 1.00 1.47 H new ATOM 1434 N HIS B 3 -36.073 -0.558 13.207 1.00 0.34 N ATOM 1435 CA HIS B 3 -35.294 0.060 14.268 1.00 0.24 C ATOM 1436 C HIS B 3 -34.365 1.114 13.682 1.00 0.25 C ATOM 1437 O HIS B 3 -34.304 1.281 12.465 1.00 0.45 O ATOM 1438 CB HIS B 3 -34.488 -0.992 15.038 1.00 0.41 C ATOM 1439 CG HIS B 3 -35.244 -1.633 16.165 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -35.373 -1.053 17.410 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -35.917 -2.808 16.230 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -36.084 -1.845 18.193 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -36.428 -2.912 17.502 1.00 1.42 N ATOM 0 H HIS B 3 -35.551 -0.731 12.348 1.00 0.34 H new ATOM 0 HA HIS B 3 -35.980 0.539 14.967 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -34.164 -1.767 14.344 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -33.587 -0.525 15.437 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -36.030 -3.527 15.432 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -36.340 -1.650 19.224 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -36.984 -3.691 17.854 1.00 1.42 H new ATOM 1452 N MET B 4 -33.645 1.821 14.541 1.00 0.16 N ATOM 1453 CA MET B 4 -32.729 2.864 14.090 1.00 0.18 C ATOM 1454 C MET B 4 -31.476 2.253 13.477 1.00 0.37 C ATOM 1455 O MET B 4 -30.799 1.437 14.102 1.00 0.82 O ATOM 1456 CB MET B 4 -32.344 3.790 15.248 1.00 0.24 C ATOM 1457 CG MET B 4 -33.524 4.547 15.836 1.00 0.26 C ATOM 1458 SD MET B 4 -33.023 5.864 16.956 1.00 0.45 S ATOM 1459 CE MET B 4 -32.310 7.032 15.799 1.00 0.61 C ATOM 0 H MET B 4 -33.676 1.693 15.553 1.00 0.16 H new ATOM 0 HA MET B 4 -33.242 3.452 13.329 1.00 0.18 H new ATOM 0 HB2 MET B 4 -31.873 3.200 16.034 1.00 0.24 H new ATOM 0 HB3 MET B 4 -31.600 4.506 14.898 1.00 0.24 H new ATOM 0 HG2 MET B 4 -34.117 4.972 15.026 1.00 0.26 H new ATOM 0 HG3 MET B 4 -34.168 3.848 16.370 1.00 0.26 H new ATOM 0 HE1 MET B 4 -32.295 8.025 16.248 1.00 0.61 H new ATOM 0 HE2 MET B 4 -31.292 6.728 15.556 1.00 0.61 H new ATOM 0 HE3 MET B 4 -32.909 7.054 14.889 1.00 0.61 H new ATOM 1469 N THR B 5 -31.182 2.639 12.245 1.00 0.18 N ATOM 1470 CA THR B 5 -30.016 2.136 11.545 1.00 0.33 C ATOM 1471 C THR B 5 -29.326 3.255 10.769 1.00 0.22 C ATOM 1472 O THR B 5 -29.975 4.042 10.074 1.00 0.16 O ATOM 1473 CB THR B 5 -30.385 0.975 10.591 1.00 0.59 C ATOM 1474 OG1 THR B 5 -29.245 0.581 9.818 1.00 0.29 O ATOM 1475 CG2 THR B 5 -31.525 1.364 9.659 1.00 0.99 C ATOM 0 H THR B 5 -31.740 3.303 11.709 1.00 0.18 H new ATOM 0 HA THR B 5 -29.326 1.751 12.295 1.00 0.33 H new ATOM 0 HB THR B 5 -30.713 0.136 11.205 1.00 0.59 H new ATOM 0 HG1 THR B 5 -29.493 -0.155 9.221 1.00 0.29 H new ATOM 0 HG21 THR B 5 -31.760 0.527 9.002 1.00 0.99 H new ATOM 0 HG22 THR B 5 -32.405 1.621 10.248 1.00 0.99 H new ATOM 0 HG23 THR B 5 -31.227 2.224 9.059 1.00 0.99 H new ATOM 1483 N GLU B 6 -28.016 3.335 10.923 1.00 0.23 N ATOM 1484 CA GLU B 6 -27.206 4.339 10.252 1.00 0.17 C ATOM 1485 C GLU B 6 -26.362 3.687 9.163 1.00 0.23 C ATOM 1486 O GLU B 6 -26.609 2.541 8.776 1.00 0.52 O ATOM 1487 CB GLU B 6 -26.295 5.056 11.260 1.00 0.15 C ATOM 1488 CG GLU B 6 -26.826 5.055 12.689 1.00 0.15 C ATOM 1489 CD GLU B 6 -26.393 3.831 13.477 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -27.059 2.780 13.375 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -25.385 3.913 14.206 1.00 1.72 O1- ATOM 0 H GLU B 6 -27.481 2.703 11.519 1.00 0.23 H new ATOM 0 HA GLU B 6 -27.871 5.074 9.797 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -25.314 4.582 11.248 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -26.154 6.087 10.937 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -26.479 5.953 13.201 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -27.915 5.101 12.667 1.00 0.15 H new ATOM 1498 N GLN B 7 -25.370 4.414 8.668 1.00 0.15 N ATOM 1499 CA GLN B 7 -24.484 3.896 7.633 1.00 0.22 C ATOM 1500 C GLN B 7 -23.049 3.819 8.154 1.00 0.22 C ATOM 1501 O GLN B 7 -22.290 4.783 8.057 1.00 0.45 O ATOM 1502 CB GLN B 7 -24.550 4.779 6.385 1.00 0.57 C ATOM 1503 CG GLN B 7 -25.937 4.844 5.765 1.00 0.48 C ATOM 1504 CD GLN B 7 -26.112 6.041 4.854 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -25.863 5.964 3.649 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -26.557 7.152 5.414 1.00 0.86 N ATOM 0 H GLN B 7 -25.158 5.366 8.967 1.00 0.15 H new ATOM 0 HA GLN B 7 -24.812 2.892 7.365 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -24.228 5.788 6.645 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -23.846 4.401 5.644 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -26.121 3.931 5.199 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -26.684 4.883 6.558 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -26.752 7.176 6.415 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -26.706 7.986 4.845 1.00 0.86 H new ATOM 1515 N PRO B 8 -22.670 2.672 8.736 1.00 0.27 N ATOM 1516 CA PRO B 8 -21.326 2.460 9.283 1.00 0.51 C ATOM 1517 C PRO B 8 -20.339 1.983 8.217 1.00 0.35 C ATOM 1518 O PRO B 8 -20.663 1.967 7.027 1.00 0.14 O ATOM 1519 CB PRO B 8 -21.580 1.372 10.329 1.00 0.80 C ATOM 1520 CG PRO B 8 -22.683 0.550 9.752 1.00 0.79 C ATOM 1521 CD PRO B 8 -23.521 1.480 8.907 1.00 0.38 C ATOM 0 HA PRO B 8 -20.874 3.368 9.683 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -20.687 0.772 10.503 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -21.866 1.803 11.289 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -22.283 -0.266 9.150 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -23.283 0.098 10.542 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -23.773 1.029 7.947 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -24.461 1.728 9.399 1.00 0.38 H new ATOM 1529 N LYS B 9 -19.130 1.616 8.639 1.00 0.47 N ATOM 1530 CA LYS B 9 -18.116 1.123 7.710 1.00 0.33 C ATOM 1531 C LYS B 9 -18.587 -0.181 7.063 1.00 0.35 C ATOM 1532 O LYS B 9 -18.694 -1.215 7.721 1.00 0.52 O ATOM 1533 CB LYS B 9 -16.763 0.917 8.414 1.00 0.23 C ATOM 1534 CG LYS B 9 -16.831 0.072 9.680 1.00 0.28 C ATOM 1535 CD LYS B 9 -15.478 -0.527 10.038 1.00 0.35 C ATOM 1536 CE LYS B 9 -15.505 -1.182 11.413 1.00 0.69 C ATOM 1537 NZ LYS B 9 -15.717 -0.189 12.499 1.00 0.89 N1+ ATOM 0 H LYS B 9 -18.830 1.651 9.613 1.00 0.47 H new ATOM 0 HA LYS B 9 -17.974 1.874 6.933 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -16.072 0.446 7.715 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -16.346 1.892 8.665 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -17.186 0.686 10.507 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -17.557 -0.729 9.543 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -15.195 -1.265 9.287 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -14.717 0.253 10.020 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -16.299 -1.928 11.444 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -14.566 -1.709 11.582 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -15.431 -0.603 13.409 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -15.146 0.659 12.310 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -16.723 0.073 12.539 1.00 0.89 H new ATOM 1551 N THR B 10 -18.894 -0.117 5.779 1.00 0.33 N ATOM 1552 CA THR B 10 -19.356 -1.285 5.052 1.00 0.31 C ATOM 1553 C THR B 10 -18.181 -2.019 4.414 1.00 0.23 C ATOM 1554 O THR B 10 -17.103 -1.446 4.226 1.00 0.23 O ATOM 1555 CB THR B 10 -20.398 -0.891 3.974 1.00 0.36 C ATOM 1556 OG1 THR B 10 -21.103 -2.051 3.511 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.735 -0.189 2.791 1.00 0.28 C ATOM 0 H THR B 10 -18.831 0.733 5.218 1.00 0.33 H new ATOM 0 HA THR B 10 -19.839 -1.955 5.763 1.00 0.31 H new ATOM 0 HB THR B 10 -21.103 -0.199 4.435 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.758 -1.786 2.832 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.493 0.074 2.053 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.236 0.716 3.138 1.00 0.28 H new ATOM 0 HG23 THR B 10 -19.002 -0.856 2.337 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.379 -3.289 4.102 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.338 -4.083 3.482 1.00 0.21 C ATOM 1567 C ARG B 11 -17.752 -4.474 2.066 1.00 0.27 C ATOM 1568 O ARG B 11 -18.944 -4.558 1.759 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.021 -5.321 4.330 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.108 -6.381 4.328 1.00 0.31 C ATOM 1571 CD ARG B 11 -17.818 -7.467 5.350 1.00 0.68 C ATOM 1572 NE ARG B 11 -16.462 -8.008 5.218 1.00 1.23 N ATOM 1573 CZ ARG B 11 -16.090 -9.208 5.670 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -16.970 -9.995 6.282 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -14.840 -9.622 5.502 1.00 1.72 N ATOM 0 H ARG B 11 -19.252 -3.790 4.269 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.429 -3.485 3.420 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.095 -5.767 3.967 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.841 -5.005 5.358 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -19.071 -5.919 4.548 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.186 -6.824 3.335 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.949 -7.063 6.354 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -18.542 -8.274 5.234 1.00 0.68 H new ATOM 0 HE ARG B 11 -15.760 -7.433 4.753 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -17.933 -9.683 6.407 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -16.682 -10.911 6.626 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -14.164 -9.023 5.028 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -14.556 -10.539 5.847 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.772 -4.702 1.208 1.00 0.16 N ATOM 1590 CA VAL B 12 -17.035 -5.060 -0.176 1.00 0.15 C ATOM 1591 C VAL B 12 -16.073 -6.156 -0.645 1.00 0.12 C ATOM 1592 O VAL B 12 -14.931 -6.223 -0.192 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.908 -3.817 -1.088 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -15.478 -3.296 -1.113 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -17.393 -4.115 -2.496 1.00 0.25 C ATOM 0 H VAL B 12 -15.782 -4.645 1.447 1.00 0.16 H new ATOM 0 HA VAL B 12 -18.054 -5.442 -0.241 1.00 0.15 H new ATOM 0 HB VAL B 12 -17.545 -3.038 -0.669 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -15.420 -2.422 -1.762 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -15.174 -3.019 -0.104 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.814 -4.073 -1.491 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -17.291 -3.222 -3.113 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.797 -4.921 -2.923 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -18.440 -4.416 -2.464 1.00 0.25 H new ATOM 1605 N SER B 13 -16.546 -7.026 -1.531 1.00 0.09 N ATOM 1606 CA SER B 13 -15.722 -8.103 -2.057 1.00 0.12 C ATOM 1607 C SER B 13 -15.082 -7.702 -3.386 1.00 0.18 C ATOM 1608 O SER B 13 -15.785 -7.377 -4.347 1.00 0.48 O ATOM 1609 CB SER B 13 -16.572 -9.363 -2.235 1.00 0.12 C ATOM 1610 OG SER B 13 -17.950 -9.035 -2.347 1.00 0.38 O ATOM 0 H SER B 13 -17.497 -7.004 -1.899 1.00 0.09 H new ATOM 0 HA SER B 13 -14.921 -8.307 -1.346 1.00 0.12 H new ATOM 0 HB2 SER B 13 -16.249 -9.901 -3.126 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.421 -10.031 -1.387 1.00 0.12 H new ATOM 0 HG SER B 13 -18.473 -9.856 -2.462 1.00 0.38 H new ATOM 1616 N VAL B 14 -13.755 -7.705 -3.431 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.029 -7.355 -4.648 1.00 0.13 C ATOM 1618 C VAL B 14 -12.178 -8.534 -5.116 1.00 0.09 C ATOM 1619 O VAL B 14 -11.550 -9.216 -4.305 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.129 -6.110 -4.454 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -12.973 -4.850 -4.352 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.234 -6.252 -3.226 1.00 0.17 C ATOM 0 H VAL B 14 -13.159 -7.946 -2.639 1.00 0.14 H new ATOM 0 HA VAL B 14 -13.774 -7.114 -5.406 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.484 -6.030 -5.329 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.322 -3.986 -4.216 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.554 -4.726 -5.266 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.649 -4.933 -3.501 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.616 -5.360 -3.121 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -11.853 -6.372 -2.337 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.593 -7.126 -3.342 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.168 -8.777 -6.420 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.410 -9.883 -6.987 1.00 0.12 C ATOM 1634 C ARG B 15 -10.002 -9.444 -7.383 1.00 0.08 C ATOM 1635 O ARG B 15 -9.833 -8.506 -8.166 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.138 -10.447 -8.208 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.319 -11.460 -8.991 1.00 0.32 C ATOM 1638 CD ARG B 15 -11.955 -11.781 -10.334 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.145 -12.617 -10.189 1.00 0.23 N ATOM 1640 CZ ARG B 15 -14.354 -12.291 -10.645 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -14.558 -11.116 -11.232 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -15.366 -13.137 -10.497 1.00 0.33 N ATOM 0 H ARG B 15 -12.678 -8.221 -7.106 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.325 -10.657 -6.224 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.066 -10.917 -7.882 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.412 -9.625 -8.869 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.313 -11.071 -9.149 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.219 -12.375 -8.408 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -12.223 -10.853 -10.840 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -11.229 -12.291 -10.967 1.00 0.37 H new ATOM 0 HE ARG B 15 -13.043 -13.510 -9.706 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -13.786 -10.457 -11.336 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -15.486 -10.873 -11.579 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -15.217 -14.034 -10.035 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -16.292 -12.890 -10.845 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.002 -10.125 -6.836 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.605 -9.839 -7.131 1.00 0.08 C ATOM 1658 C ILE B 16 -6.839 -11.148 -7.294 1.00 0.13 C ATOM 1659 O ILE B 16 -6.939 -12.042 -6.449 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.943 -8.992 -6.022 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.660 -7.648 -5.879 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.466 -8.775 -6.328 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.406 -6.962 -4.555 1.00 0.15 C ATOM 0 H ILE B 16 -9.138 -10.891 -6.176 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.573 -9.264 -8.056 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.025 -9.532 -5.079 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.342 -6.989 -6.687 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.732 -7.804 -5.998 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.015 -8.176 -5.537 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -4.961 -9.739 -6.386 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.364 -8.254 -7.280 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -7.946 -6.016 -4.526 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.750 -7.601 -3.742 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.338 -6.774 -4.442 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.119 -11.266 -8.408 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.323 -12.457 -8.727 1.00 0.25 C ATOM 1677 C TYR B 17 -6.211 -13.688 -8.900 1.00 0.24 C ATOM 1678 O TYR B 17 -5.742 -14.823 -8.821 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.258 -12.712 -7.649 1.00 0.29 C ATOM 1680 CG TYR B 17 -2.908 -13.115 -8.207 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.077 -12.174 -8.799 1.00 0.27 C ATOM 1682 CD2 TYR B 17 -2.468 -14.431 -8.141 1.00 0.22 C ATOM 1683 CE1 TYR B 17 -0.843 -12.533 -9.311 1.00 0.31 C ATOM 1684 CE2 TYR B 17 -1.237 -14.797 -8.652 1.00 0.20 C ATOM 1685 CZ TYR B 17 -0.427 -13.844 -9.235 1.00 0.26 C ATOM 1686 OH TYR B 17 0.800 -14.205 -9.749 1.00 0.34 O ATOM 0 H TYR B 17 -6.069 -10.537 -9.120 1.00 0.18 H new ATOM 0 HA TYR B 17 -4.817 -12.269 -9.674 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.138 -11.810 -7.049 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.613 -13.495 -6.979 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.399 -11.145 -8.861 1.00 0.27 H new ATOM 0 HD2 TYR B 17 -3.098 -15.180 -7.683 1.00 0.22 H new ATOM 0 HE1 TYR B 17 -0.208 -11.788 -9.768 1.00 0.31 H new ATOM 0 HE2 TYR B 17 -0.910 -15.825 -8.595 1.00 0.20 H new ATOM 0 HH TYR B 17 1.403 -13.433 -9.729 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.493 -13.456 -9.148 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.432 -14.550 -9.345 1.00 0.22 C ATOM 1698 C GLY B 18 -9.203 -14.908 -8.092 1.00 0.22 C ATOM 1699 O GLY B 18 -10.086 -15.767 -8.128 1.00 0.24 O ATOM 0 H GLY B 18 -7.904 -12.525 -9.217 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.136 -14.279 -10.132 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -7.888 -15.428 -9.693 1.00 0.22 H new ATOM 1703 N GLN B 19 -8.882 -14.261 -6.979 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.561 -14.536 -5.718 1.00 0.21 C ATOM 1705 C GLN B 19 -10.196 -13.265 -5.173 1.00 0.18 C ATOM 1706 O GLN B 19 -9.610 -12.191 -5.251 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.581 -15.125 -4.698 1.00 0.22 C ATOM 1708 CG GLN B 19 -7.758 -16.286 -5.242 1.00 0.56 C ATOM 1709 CD GLN B 19 -7.003 -17.034 -4.163 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -6.629 -16.469 -3.134 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -6.770 -18.314 -4.394 1.00 1.36 N ATOM 0 H GLN B 19 -8.158 -13.544 -6.923 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.348 -15.268 -5.900 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.906 -14.339 -4.360 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.139 -15.464 -3.825 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.418 -16.979 -5.763 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -7.049 -15.908 -5.978 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -7.097 -18.744 -5.259 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -6.263 -18.872 -3.707 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.397 -13.388 -4.625 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.106 -12.232 -4.089 1.00 0.24 C ATOM 1722 C ASP B 20 -11.927 -12.117 -2.580 1.00 0.23 C ATOM 1723 O ASP B 20 -11.968 -13.115 -1.856 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.594 -12.290 -4.455 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.365 -13.349 -3.692 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.085 -14.554 -3.880 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.272 -12.983 -2.918 1.00 1.64 O ATOM 0 H ASP B 20 -11.900 -14.271 -4.540 1.00 0.24 H new ATOM 0 HA ASP B 20 -11.673 -11.340 -4.542 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.045 -11.316 -4.264 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -13.690 -12.482 -5.524 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.700 -10.889 -2.120 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.504 -10.613 -0.698 1.00 0.22 C ATOM 1734 C TYR B 21 -12.519 -9.579 -0.217 1.00 0.24 C ATOM 1735 O TYR B 21 -12.708 -8.542 -0.856 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.084 -10.089 -0.427 1.00 0.19 C ATOM 1737 CG TYR B 21 -8.997 -10.785 -1.221 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.931 -12.172 -1.295 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -8.036 -10.050 -1.904 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -7.943 -12.802 -2.025 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -7.044 -10.674 -2.632 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.004 -12.048 -2.691 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.019 -12.672 -3.422 1.00 0.14 O ATOM 0 H TYR B 21 -11.647 -10.063 -2.716 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.644 -11.548 -0.155 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.055 -9.023 -0.651 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.867 -10.197 0.636 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.665 -12.767 -0.772 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -8.066 -8.971 -1.864 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -7.907 -13.880 -2.073 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -6.302 -10.087 -3.153 1.00 0.16 H new ATOM 0 HH TYR B 21 -6.194 -12.549 -4.378 1.00 0.14 H new ATOM 1753 N THR B 22 -13.176 -9.867 0.895 1.00 0.18 N ATOM 1754 CA THR B 22 -14.157 -8.957 1.458 1.00 0.18 C ATOM 1755 C THR B 22 -13.486 -7.937 2.377 1.00 0.16 C ATOM 1756 O THR B 22 -13.441 -8.112 3.598 1.00 0.21 O ATOM 1757 CB THR B 22 -15.230 -9.733 2.236 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.043 -11.141 2.038 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.627 -9.328 1.784 1.00 0.26 C ATOM 0 H THR B 22 -13.046 -10.728 1.427 1.00 0.18 H new ATOM 0 HA THR B 22 -14.633 -8.425 0.634 1.00 0.18 H new ATOM 0 HB THR B 22 -15.131 -9.496 3.295 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.727 -11.635 2.536 1.00 0.54 H new ATOM 0 HG21 THR B 22 -17.370 -9.891 2.349 1.00 0.26 H new ATOM 0 HG22 THR B 22 -16.771 -8.262 1.958 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.742 -9.541 0.721 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.972 -6.872 1.777 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.282 -5.823 2.517 1.00 0.11 C ATOM 1769 C ILE B 23 -13.252 -4.749 2.992 1.00 0.14 C ATOM 1770 O ILE B 23 -14.446 -4.810 2.706 1.00 0.32 O ATOM 1771 CB ILE B 23 -11.177 -5.162 1.668 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.781 -4.474 0.440 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -10.149 -6.202 1.251 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.892 -3.404 -0.150 1.00 0.08 C ATOM 0 H ILE B 23 -13.021 -6.711 0.771 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.825 -6.303 3.383 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.679 -4.402 2.270 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -11.987 -5.225 -0.323 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -12.737 -4.029 0.716 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.373 -5.726 0.652 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.700 -6.647 2.139 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.636 -6.979 0.662 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.383 -2.960 -1.016 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.706 -2.633 0.597 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -9.945 -3.847 -0.458 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.731 -3.765 3.711 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.544 -2.680 4.237 1.00 0.17 C ATOM 1788 C VAL B 24 -13.429 -1.425 3.369 1.00 0.22 C ATOM 1789 O VAL B 24 -12.328 -0.932 3.117 1.00 0.28 O ATOM 1790 CB VAL B 24 -13.127 -2.341 5.688 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.877 -1.120 6.207 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.356 -3.536 6.603 1.00 0.18 C ATOM 0 H VAL B 24 -11.740 -3.697 3.944 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.581 -3.016 4.227 1.00 0.17 H new ATOM 0 HB VAL B 24 -12.063 -2.104 5.684 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.562 -0.907 7.229 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.657 -0.261 5.573 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.949 -1.317 6.191 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -13.057 -3.279 7.619 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.412 -3.805 6.593 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.763 -4.381 6.253 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.567 -0.913 2.916 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.575 0.283 2.096 1.00 0.27 C ATOM 1804 C GLY B 25 -15.446 1.366 2.700 1.00 0.07 C ATOM 1805 O GLY B 25 -16.570 1.591 2.253 1.00 0.28 O ATOM 0 H GLY B 25 -15.489 -1.307 3.103 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.557 0.655 1.983 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.937 0.038 1.098 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.920 2.044 3.713 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.662 3.096 4.404 1.00 0.36 C ATOM 1811 C ALA B 26 -15.655 4.417 3.634 1.00 0.34 C ATOM 1812 O ALA B 26 -16.359 5.355 4.007 1.00 0.57 O ATOM 1813 CB ALA B 26 -15.101 3.304 5.803 1.00 0.61 C ATOM 0 H ALA B 26 -13.980 1.885 4.076 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.699 2.766 4.471 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -15.663 4.090 6.307 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -15.185 2.377 6.370 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -14.052 3.594 5.735 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.856 4.497 2.577 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.791 5.712 1.781 1.00 0.06 C ATOM 1821 C GLU B 27 -15.929 5.732 0.761 1.00 0.07 C ATOM 1822 O GLU B 27 -16.843 6.552 0.856 1.00 0.08 O ATOM 1823 CB GLU B 27 -13.428 5.830 1.081 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.842 7.233 1.112 1.00 0.97 C ATOM 1825 CD GLU B 27 -13.808 8.283 0.604 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -14.378 8.101 -0.492 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -14.005 9.299 1.303 1.00 2.44 O1- ATOM 0 H GLU B 27 -14.250 3.742 2.255 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.903 6.570 2.443 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.726 5.143 1.554 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -13.534 5.513 0.043 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.550 7.478 2.133 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.935 7.257 0.507 1.00 0.97 H new ATOM 1834 N SER B 28 -15.871 4.818 -0.204 1.00 0.08 N ATOM 1835 CA SER B 28 -16.884 4.716 -1.242 1.00 0.11 C ATOM 1836 C SER B 28 -16.597 3.500 -2.116 1.00 0.14 C ATOM 1837 O SER B 28 -15.433 3.168 -2.359 1.00 0.14 O ATOM 1838 CB SER B 28 -16.923 5.992 -2.089 1.00 0.16 C ATOM 1839 OG SER B 28 -15.623 6.517 -2.296 1.00 0.98 O ATOM 0 H SER B 28 -15.122 4.131 -0.285 1.00 0.08 H new ATOM 0 HA SER B 28 -17.861 4.596 -0.774 1.00 0.11 H new ATOM 0 HB2 SER B 28 -17.387 5.777 -3.051 1.00 0.16 H new ATOM 0 HB3 SER B 28 -17.544 6.739 -1.595 1.00 0.16 H new ATOM 0 HG SER B 28 -15.408 7.150 -1.580 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.650 2.808 -2.585 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.514 1.611 -3.425 1.00 0.21 C ATOM 1847 C PRO B 29 -16.692 1.847 -4.695 1.00 0.18 C ATOM 1848 O PRO B 29 -15.987 0.952 -5.160 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.958 1.241 -3.786 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.780 2.435 -3.432 1.00 0.28 C ATOM 1851 CD PRO B 29 -19.060 3.121 -2.309 1.00 0.18 C ATOM 0 HA PRO B 29 -16.977 0.825 -2.893 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.048 1.004 -4.846 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.287 0.361 -3.233 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.889 3.100 -4.288 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.784 2.140 -3.128 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -19.243 4.196 -2.308 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.375 2.743 -1.336 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.774 3.048 -5.249 1.00 0.18 N ATOM 1860 CA ALA B 30 -16.037 3.372 -6.464 1.00 0.16 C ATOM 1861 C ALA B 30 -14.581 3.723 -6.165 1.00 0.10 C ATOM 1862 O ALA B 30 -13.736 3.713 -7.057 1.00 0.05 O ATOM 1863 CB ALA B 30 -16.711 4.520 -7.206 1.00 0.20 C ATOM 0 H ALA B 30 -17.340 3.812 -4.880 1.00 0.18 H new ATOM 0 HA ALA B 30 -16.043 2.485 -7.097 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -16.148 4.749 -8.111 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -17.728 4.233 -7.474 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -16.740 5.401 -6.564 1.00 0.20 H new ATOM 1869 N HIS B 31 -14.282 4.000 -4.901 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.926 4.380 -4.506 1.00 0.13 C ATOM 1871 C HIS B 31 -12.003 3.175 -4.390 1.00 0.07 C ATOM 1872 O HIS B 31 -10.945 3.138 -5.018 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.937 5.144 -3.181 1.00 0.20 C ATOM 1874 CG HIS B 31 -12.569 6.587 -3.322 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -13.487 7.571 -3.591 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -11.374 7.207 -3.226 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -12.877 8.735 -3.645 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -11.589 8.546 -3.423 1.00 1.22 N ATOM 0 H HIS B 31 -14.954 3.970 -4.134 1.00 0.15 H new ATOM 0 HA HIS B 31 -12.541 5.027 -5.294 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.930 5.072 -2.737 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -12.243 4.666 -2.489 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -14.487 7.423 -3.728 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -10.423 6.735 -3.030 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -13.350 9.686 -3.839 1.00 0.48 H new ATOM 1887 N ILE B 32 -12.400 2.178 -3.607 1.00 0.08 N ATOM 1888 CA ILE B 32 -11.555 0.997 -3.421 1.00 0.08 C ATOM 1889 C ILE B 32 -11.550 0.127 -4.673 1.00 0.07 C ATOM 1890 O ILE B 32 -10.714 -0.765 -4.815 1.00 0.14 O ATOM 1891 CB ILE B 32 -11.926 0.130 -2.180 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -13.141 -0.789 -2.439 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -12.127 0.988 -0.934 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -14.482 -0.090 -2.562 1.00 0.10 C ATOM 0 H ILE B 32 -13.284 2.159 -3.098 1.00 0.08 H new ATOM 0 HA ILE B 32 -10.556 1.391 -3.234 1.00 0.08 H new ATOM 0 HB ILE B 32 -11.075 -0.526 -1.996 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -12.959 -1.350 -3.356 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -13.204 -1.515 -1.628 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -12.384 0.349 -0.090 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -11.207 1.529 -0.712 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -12.933 1.700 -1.109 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -15.262 -0.829 -2.743 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -14.698 0.448 -1.639 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -14.450 0.614 -3.393 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.476 0.402 -5.588 1.00 0.07 N ATOM 1907 CA ARG B 33 -12.559 -0.341 -6.840 1.00 0.05 C ATOM 1908 C ARG B 33 -11.320 -0.055 -7.688 1.00 0.04 C ATOM 1909 O ARG B 33 -10.922 -0.858 -8.532 1.00 0.05 O ATOM 1910 CB ARG B 33 -13.834 0.034 -7.604 1.00 0.07 C ATOM 1911 CG ARG B 33 -14.111 -0.854 -8.807 1.00 0.59 C ATOM 1912 CD ARG B 33 -15.603 -0.990 -9.071 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.231 0.295 -9.375 1.00 0.42 N ATOM 1914 CZ ARG B 33 -17.546 0.468 -9.482 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.373 -0.556 -9.299 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -18.035 1.665 -9.776 1.00 1.46 N ATOM 0 H ARG B 33 -13.179 1.134 -5.485 1.00 0.07 H new ATOM 0 HA ARG B 33 -12.600 -1.408 -6.619 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.683 -0.017 -6.923 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -13.756 1.069 -7.938 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -13.622 -0.438 -9.688 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -13.679 -1.841 -8.639 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.762 -1.676 -9.903 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.086 -1.431 -8.199 1.00 0.36 H new ATOM 0 HE ARG B 33 -15.627 1.105 -9.513 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.000 -1.479 -9.076 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.380 -0.419 -9.382 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -17.403 2.453 -9.920 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -19.043 1.798 -9.858 1.00 1.46 H new ATOM 1930 N LEU B 34 -10.713 1.101 -7.445 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.506 1.497 -8.154 1.00 0.09 C ATOM 1932 C LEU B 34 -8.332 0.667 -7.655 1.00 0.08 C ATOM 1933 O LEU B 34 -7.475 0.241 -8.430 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.206 2.980 -7.933 1.00 0.12 C ATOM 1935 CG LEU B 34 -10.337 3.947 -8.291 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -10.031 5.339 -7.764 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -10.553 3.981 -9.796 1.00 0.14 C ATOM 0 H LEU B 34 -11.040 1.782 -6.759 1.00 0.06 H new ATOM 0 HA LEU B 34 -9.659 1.328 -9.220 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.946 3.127 -6.885 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -8.327 3.245 -8.520 1.00 0.12 H new ATOM 0 HG LEU B 34 -11.255 3.594 -7.821 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -10.845 6.015 -8.027 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -9.926 5.303 -6.680 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -9.103 5.700 -8.207 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -11.361 4.674 -10.032 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.638 4.310 -10.288 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.816 2.984 -10.148 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.330 0.428 -6.351 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.282 -0.337 -5.690 1.00 0.08 C ATOM 1951 C VAL B 35 -7.252 -1.784 -6.174 1.00 0.08 C ATOM 1952 O VAL B 35 -6.182 -2.342 -6.410 1.00 0.11 O ATOM 1953 CB VAL B 35 -7.478 -0.317 -4.160 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -6.542 -1.296 -3.472 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -7.281 1.089 -3.620 1.00 0.09 C ATOM 0 H VAL B 35 -9.058 0.761 -5.719 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.332 0.134 -5.944 1.00 0.08 H new ATOM 0 HB VAL B 35 -8.500 -0.631 -3.945 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -6.704 -1.259 -2.395 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.740 -2.305 -3.834 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -5.509 -1.028 -3.693 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -7.423 1.087 -2.539 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -6.272 1.430 -3.853 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -8.006 1.760 -4.080 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.431 -2.370 -6.336 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.555 -3.757 -6.775 1.00 0.07 C ATOM 1967 C ALA B 36 -7.759 -4.033 -8.053 1.00 0.09 C ATOM 1968 O ALA B 36 -6.860 -4.874 -8.061 1.00 0.09 O ATOM 1969 CB ALA B 36 -10.018 -4.106 -6.975 1.00 0.08 C ATOM 0 H ALA B 36 -9.323 -1.903 -6.169 1.00 0.07 H new ATOM 0 HA ALA B 36 -8.134 -4.390 -5.994 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -10.103 -5.142 -7.303 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.555 -3.977 -6.035 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.448 -3.450 -7.731 1.00 0.08 H new ATOM 1975 N ALA B 37 -8.080 -3.311 -9.118 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.395 -3.486 -10.396 1.00 0.15 C ATOM 1977 C ALA B 37 -5.934 -3.046 -10.307 1.00 0.17 C ATOM 1978 O ALA B 37 -5.063 -3.608 -10.974 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.121 -2.713 -11.487 1.00 0.21 C ATOM 0 H ALA B 37 -8.810 -2.598 -9.125 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.406 -4.547 -10.646 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.603 -2.850 -12.436 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.143 -3.081 -11.575 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.138 -1.653 -11.232 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.678 -2.046 -9.473 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.330 -1.519 -9.284 1.00 0.18 C ATOM 1987 C PHE B 38 -3.401 -2.582 -8.689 1.00 0.15 C ATOM 1988 O PHE B 38 -2.316 -2.834 -9.211 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.396 -0.274 -8.393 1.00 0.23 C ATOM 1990 CG PHE B 38 -3.079 0.177 -7.823 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -1.995 0.436 -8.648 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -2.932 0.353 -6.458 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -0.791 0.856 -8.116 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -1.730 0.771 -5.922 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.659 1.023 -6.753 1.00 0.14 C ATOM 0 H PHE B 38 -6.391 -1.580 -8.912 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.915 -1.240 -10.252 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.823 0.545 -8.972 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -5.081 -0.473 -7.569 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.093 0.308 -9.716 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -3.769 0.161 -5.803 1.00 0.28 H new ATOM 0 HE1 PHE B 38 0.047 1.054 -8.768 1.00 0.36 H new ATOM 0 HE2 PHE B 38 -1.629 0.900 -4.855 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.282 1.351 -6.337 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.838 -3.215 -7.609 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.039 -4.245 -6.955 1.00 0.14 C ATOM 2007 C VAL B 39 -2.885 -5.457 -7.865 1.00 0.14 C ATOM 2008 O VAL B 39 -1.807 -6.048 -7.953 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.667 -4.680 -5.613 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.892 -5.838 -4.996 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.719 -3.508 -4.648 1.00 0.22 C ATOM 0 H VAL B 39 -4.739 -3.035 -7.167 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.057 -3.818 -6.752 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.684 -5.019 -5.811 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.356 -6.124 -4.052 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.903 -6.688 -5.678 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.862 -5.531 -4.816 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.164 -3.831 -3.707 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.709 -3.142 -4.465 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.322 -2.708 -5.079 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.963 -5.801 -8.561 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.965 -6.937 -9.478 1.00 0.21 C ATOM 2023 C ASP B 40 -2.868 -6.776 -10.532 1.00 0.27 C ATOM 2024 O ASP B 40 -2.176 -7.737 -10.878 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.338 -7.066 -10.147 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.554 -8.411 -10.814 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.026 -8.624 -11.926 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -6.275 -9.257 -10.242 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.853 -5.306 -8.507 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.763 -7.846 -8.912 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.115 -6.910 -9.399 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.448 -6.277 -10.891 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.702 -5.548 -11.023 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.678 -5.244 -12.027 1.00 0.37 C ATOM 2035 C ASP B 41 -0.280 -5.315 -11.425 1.00 0.32 C ATOM 2036 O ASP B 41 0.630 -5.905 -12.012 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.899 -3.853 -12.627 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.679 -3.344 -13.378 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -0.498 -3.719 -14.559 1.00 0.92 O ATOM 2040 OD2 ASP B 41 0.098 -2.549 -12.800 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.264 -4.745 -10.742 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.763 -5.993 -12.814 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.752 -3.884 -13.305 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.150 -3.153 -11.830 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.118 -4.717 -10.252 1.00 0.28 N ATOM 2046 CA LYS B 42 1.172 -4.702 -9.569 1.00 0.24 C ATOM 2047 C LYS B 42 1.675 -6.120 -9.319 1.00 0.20 C ATOM 2048 O LYS B 42 2.847 -6.415 -9.525 1.00 0.18 O ATOM 2049 CB LYS B 42 1.080 -3.934 -8.247 1.00 0.24 C ATOM 2050 CG LYS B 42 0.815 -2.447 -8.418 1.00 0.21 C ATOM 2051 CD LYS B 42 1.765 -1.606 -7.576 1.00 0.40 C ATOM 2052 CE LYS B 42 3.178 -1.619 -8.137 1.00 0.55 C ATOM 2053 NZ LYS B 42 3.739 -0.246 -8.268 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.865 -4.235 -9.752 1.00 0.28 H new ATOM 0 HA LYS B 42 1.885 -4.193 -10.218 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.285 -4.368 -7.640 1.00 0.24 H new ATOM 0 HB3 LYS B 42 2.011 -4.067 -7.695 1.00 0.24 H new ATOM 0 HG2 LYS B 42 0.923 -2.176 -9.468 1.00 0.21 H new ATOM 0 HG3 LYS B 42 -0.214 -2.226 -8.136 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.401 -0.580 -7.532 1.00 0.40 H new ATOM 0 HD3 LYS B 42 1.776 -1.984 -6.554 1.00 0.40 H new ATOM 0 HE2 LYS B 42 3.821 -2.213 -7.487 1.00 0.55 H new ATOM 0 HE3 LYS B 42 3.176 -2.104 -9.113 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.777 -0.297 -8.304 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 3.383 0.193 -9.141 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 3.449 0.327 -7.450 1.00 0.48 H new ATOM 2067 N MET B 43 0.782 -6.999 -8.882 1.00 0.21 N ATOM 2068 CA MET B 43 1.156 -8.387 -8.631 1.00 0.19 C ATOM 2069 C MET B 43 1.565 -9.071 -9.931 1.00 0.17 C ATOM 2070 O MET B 43 2.442 -9.934 -9.939 1.00 0.18 O ATOM 2071 CB MET B 43 0.003 -9.163 -7.992 1.00 0.24 C ATOM 2072 CG MET B 43 -0.401 -8.648 -6.624 1.00 0.25 C ATOM 2073 SD MET B 43 -1.808 -9.541 -5.941 1.00 0.31 S ATOM 2074 CE MET B 43 -1.052 -11.107 -5.519 1.00 0.24 C ATOM 0 H MET B 43 -0.197 -6.780 -8.695 1.00 0.21 H new ATOM 0 HA MET B 43 2.000 -8.382 -7.941 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.861 -9.121 -8.655 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.288 -10.212 -7.905 1.00 0.24 H new ATOM 0 HG2 MET B 43 0.445 -8.733 -5.942 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.647 -7.589 -6.696 1.00 0.25 H new ATOM 0 HE1 MET B 43 -1.622 -11.919 -5.970 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.029 -11.130 -5.894 1.00 0.24 H new ATOM 0 HE3 MET B 43 -1.044 -11.227 -4.436 1.00 0.24 H new ATOM 2084 N HIS B 44 0.923 -8.671 -11.026 1.00 0.16 N ATOM 2085 CA HIS B 44 1.205 -9.236 -12.343 1.00 0.19 C ATOM 2086 C HIS B 44 2.656 -8.969 -12.744 1.00 0.25 C ATOM 2087 O HIS B 44 3.387 -9.895 -13.095 1.00 0.61 O ATOM 2088 CB HIS B 44 0.247 -8.642 -13.389 1.00 0.26 C ATOM 2089 CG HIS B 44 0.146 -9.428 -14.668 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -1.018 -9.516 -15.408 1.00 0.54 N ATOM 2091 CD2 HIS B 44 1.065 -10.163 -15.338 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -0.807 -10.269 -16.470 1.00 1.18 C ATOM 2093 NE2 HIS B 44 0.449 -10.674 -16.453 1.00 1.53 N ATOM 0 H HIS B 44 0.199 -7.953 -11.026 1.00 0.16 H new ATOM 0 HA HIS B 44 1.054 -10.314 -12.297 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.747 -8.563 -12.948 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.572 -7.629 -13.626 1.00 0.26 H new ATOM 0 HD2 HIS B 44 2.094 -10.319 -15.048 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -1.539 -10.513 -17.226 1.00 1.18 H new ATOM 0 HE2 HIS B 44 0.890 -11.269 -17.154 1.00 1.53 H new ATOM 2102 N GLU B 45 3.072 -7.708 -12.671 1.00 0.14 N ATOM 2103 CA GLU B 45 4.435 -7.335 -13.038 1.00 0.11 C ATOM 2104 C GLU B 45 5.444 -7.842 -12.006 1.00 0.07 C ATOM 2105 O GLU B 45 6.580 -8.166 -12.347 1.00 0.03 O ATOM 2106 CB GLU B 45 4.563 -5.815 -13.208 1.00 0.10 C ATOM 2107 CG GLU B 45 4.111 -5.009 -11.996 1.00 0.07 C ATOM 2108 CD GLU B 45 4.799 -3.660 -11.905 1.00 0.22 C ATOM 2109 OE1 GLU B 45 6.014 -3.625 -11.621 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 4.128 -2.628 -12.112 1.00 0.49 O ATOM 0 H GLU B 45 2.488 -6.930 -12.363 1.00 0.14 H new ATOM 0 HA GLU B 45 4.659 -7.808 -13.994 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.603 -5.572 -13.424 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.977 -5.507 -14.074 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.032 -4.860 -12.045 1.00 0.07 H new ATOM 0 HG3 GLU B 45 4.314 -5.578 -11.089 1.00 0.07 H new ATOM 2117 N PHE B 46 5.024 -7.935 -10.748 1.00 0.11 N ATOM 2118 CA PHE B 46 5.909 -8.406 -9.688 1.00 0.10 C ATOM 2119 C PHE B 46 6.209 -9.889 -9.853 1.00 0.10 C ATOM 2120 O PHE B 46 7.260 -10.370 -9.428 1.00 0.11 O ATOM 2121 CB PHE B 46 5.303 -8.128 -8.313 1.00 0.11 C ATOM 2122 CG PHE B 46 5.604 -6.751 -7.795 1.00 0.13 C ATOM 2123 CD1 PHE B 46 5.845 -5.701 -8.667 1.00 0.14 C ATOM 2124 CD2 PHE B 46 5.659 -6.509 -6.434 1.00 0.16 C ATOM 2125 CE1 PHE B 46 6.130 -4.436 -8.191 1.00 0.14 C ATOM 2126 CE2 PHE B 46 5.946 -5.250 -5.951 1.00 0.17 C ATOM 2127 CZ PHE B 46 6.182 -4.210 -6.831 1.00 0.15 C ATOM 0 H PHE B 46 4.083 -7.692 -10.439 1.00 0.11 H new ATOM 0 HA PHE B 46 6.849 -7.859 -9.764 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.222 -8.259 -8.367 1.00 0.11 H new ATOM 0 HB3 PHE B 46 5.678 -8.865 -7.603 1.00 0.11 H new ATOM 0 HD1 PHE B 46 5.810 -5.874 -9.732 1.00 0.14 H new ATOM 0 HD2 PHE B 46 5.475 -7.317 -5.741 1.00 0.16 H new ATOM 0 HE1 PHE B 46 6.312 -3.626 -8.882 1.00 0.14 H new ATOM 0 HE2 PHE B 46 5.986 -5.076 -4.886 1.00 0.17 H new ATOM 0 HZ PHE B 46 6.407 -3.223 -6.455 1.00 0.15 H new ATOM 2137 N SER B 47 5.293 -10.605 -10.493 1.00 0.09 N ATOM 2138 CA SER B 47 5.474 -12.028 -10.726 1.00 0.10 C ATOM 2139 C SER B 47 6.528 -12.255 -11.810 1.00 0.09 C ATOM 2140 O SER B 47 6.934 -13.385 -12.075 1.00 0.13 O ATOM 2141 CB SER B 47 4.142 -12.674 -11.117 1.00 0.13 C ATOM 2142 OG SER B 47 3.167 -12.491 -10.100 1.00 0.49 O ATOM 0 H SER B 47 4.421 -10.223 -10.858 1.00 0.09 H new ATOM 0 HA SER B 47 5.823 -12.496 -9.806 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.784 -12.240 -12.051 1.00 0.13 H new ATOM 0 HB3 SER B 47 4.290 -13.739 -11.296 1.00 0.13 H new ATOM 0 HG SER B 47 2.926 -11.543 -10.044 1.00 0.49 H new ATOM 2148 N GLU B 48 6.969 -11.166 -12.432 1.00 0.13 N ATOM 2149 CA GLU B 48 7.985 -11.230 -13.468 1.00 0.12 C ATOM 2150 C GLU B 48 9.377 -11.205 -12.841 1.00 0.09 C ATOM 2151 O GLU B 48 10.341 -11.695 -13.425 1.00 0.07 O ATOM 2152 CB GLU B 48 7.827 -10.058 -14.437 1.00 0.15 C ATOM 2153 CG GLU B 48 8.585 -10.227 -15.743 1.00 0.17 C ATOM 2154 CD GLU B 48 8.090 -11.407 -16.549 1.00 0.71 C ATOM 2155 OE1 GLU B 48 6.877 -11.468 -16.841 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 8.906 -12.284 -16.893 1.00 1.67 O ATOM 0 H GLU B 48 6.633 -10.224 -12.232 1.00 0.13 H new ATOM 0 HA GLU B 48 7.862 -12.162 -14.020 1.00 0.12 H new ATOM 0 HB2 GLU B 48 6.768 -9.924 -14.659 1.00 0.15 H new ATOM 0 HB3 GLU B 48 8.168 -9.146 -13.947 1.00 0.15 H new ATOM 0 HG2 GLU B 48 8.487 -9.318 -16.337 1.00 0.17 H new ATOM 0 HG3 GLU B 48 9.646 -10.356 -15.530 1.00 0.17 H new ATOM 2163 N LYS B 49 9.469 -10.634 -11.641 1.00 0.10 N ATOM 2164 CA LYS B 49 10.743 -10.541 -10.934 1.00 0.10 C ATOM 2165 C LYS B 49 11.235 -11.930 -10.538 1.00 0.15 C ATOM 2166 O LYS B 49 12.395 -12.271 -10.766 1.00 0.23 O ATOM 2167 CB LYS B 49 10.602 -9.667 -9.683 1.00 0.09 C ATOM 2168 CG LYS B 49 10.225 -8.224 -9.979 1.00 0.12 C ATOM 2169 CD LYS B 49 10.238 -7.380 -8.711 1.00 0.05 C ATOM 2170 CE LYS B 49 9.725 -5.970 -8.963 1.00 1.11 C ATOM 2171 NZ LYS B 49 10.497 -5.267 -10.021 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.678 -10.230 -11.140 1.00 0.10 H new ATOM 0 HA LYS B 49 11.471 -10.084 -11.604 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.846 -10.103 -9.030 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.544 -9.681 -9.134 1.00 0.09 H new ATOM 0 HG2 LYS B 49 10.922 -7.805 -10.705 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.234 -8.190 -10.432 1.00 0.12 H new ATOM 0 HD2 LYS B 49 9.623 -7.859 -7.949 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.253 -7.332 -8.317 1.00 0.05 H new ATOM 0 HE2 LYS B 49 8.675 -6.015 -9.252 1.00 1.11 H new ATOM 0 HE3 LYS B 49 9.777 -5.397 -8.037 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 10.201 -4.271 -10.063 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 11.512 -5.318 -9.802 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 10.318 -5.720 -10.940 1.00 1.14 H new ATOM 2185 N GLN B 50 10.333 -12.718 -9.951 1.00 0.20 N ATOM 2186 CA GLN B 50 10.635 -14.085 -9.515 1.00 0.30 C ATOM 2187 C GLN B 50 11.849 -14.133 -8.573 1.00 0.13 C ATOM 2188 O GLN B 50 12.897 -14.671 -8.929 1.00 0.29 O ATOM 2189 CB GLN B 50 10.880 -14.987 -10.733 1.00 0.53 C ATOM 2190 CG GLN B 50 9.666 -15.128 -11.643 1.00 1.05 C ATOM 2191 CD GLN B 50 9.994 -15.801 -12.960 1.00 1.30 C ATOM 2192 OE1 GLN B 50 10.922 -16.606 -13.050 1.00 1.37 O ATOM 2193 NE2 GLN B 50 9.240 -15.469 -13.994 1.00 1.60 N ATOM 0 H GLN B 50 9.373 -12.428 -9.764 1.00 0.20 H new ATOM 0 HA GLN B 50 9.771 -14.450 -8.959 1.00 0.30 H new ATOM 0 HB2 GLN B 50 11.712 -14.584 -11.311 1.00 0.53 H new ATOM 0 HB3 GLN B 50 11.181 -15.976 -10.387 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.897 -15.703 -11.128 1.00 1.05 H new ATOM 0 HG3 GLN B 50 9.248 -14.141 -11.839 1.00 1.05 H new ATOM 0 HE21 GLN B 50 8.481 -14.798 -13.877 1.00 1.60 H new ATOM 0 HE22 GLN B 50 9.417 -15.884 -14.909 1.00 1.60 H new ATOM 2202 N PRO B 51 11.728 -13.579 -7.352 1.00 0.16 N ATOM 2203 CA PRO B 51 12.829 -13.586 -6.392 1.00 0.27 C ATOM 2204 C PRO B 51 13.028 -14.961 -5.752 1.00 0.20 C ATOM 2205 O PRO B 51 14.095 -15.560 -5.872 1.00 0.19 O ATOM 2206 CB PRO B 51 12.424 -12.544 -5.348 1.00 0.48 C ATOM 2207 CG PRO B 51 10.942 -12.385 -5.469 1.00 0.51 C ATOM 2208 CD PRO B 51 10.528 -12.907 -6.825 1.00 0.41 C ATOM 0 HA PRO B 51 13.782 -13.358 -6.868 1.00 0.27 H new ATOM 0 HB2 PRO B 51 12.700 -12.870 -4.345 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.933 -11.597 -5.526 1.00 0.48 H new ATOM 0 HG2 PRO B 51 10.433 -12.935 -4.677 1.00 0.51 H new ATOM 0 HG3 PRO B 51 10.661 -11.337 -5.361 1.00 0.51 H new ATOM 0 HD2 PRO B 51 9.690 -13.600 -6.743 1.00 0.41 H new ATOM 0 HD3 PRO B 51 10.209 -12.097 -7.480 1.00 0.41 H new ATOM 2216 N MET B 52 11.994 -15.460 -5.079 1.00 0.17 N ATOM 2217 CA MET B 52 12.064 -16.766 -4.433 1.00 0.11 C ATOM 2218 C MET B 52 11.113 -17.755 -5.101 1.00 0.09 C ATOM 2219 O MET B 52 11.008 -18.907 -4.677 1.00 0.08 O ATOM 2220 CB MET B 52 11.717 -16.649 -2.944 1.00 0.12 C ATOM 2221 CG MET B 52 12.840 -16.071 -2.097 1.00 0.18 C ATOM 2222 SD MET B 52 14.283 -17.147 -2.017 1.00 0.26 S ATOM 2223 CE MET B 52 15.349 -16.209 -0.923 1.00 0.43 C ATOM 0 H MET B 52 11.101 -14.981 -4.968 1.00 0.17 H new ATOM 0 HA MET B 52 13.085 -17.134 -4.536 1.00 0.11 H new ATOM 0 HB2 MET B 52 10.832 -16.022 -2.835 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.457 -17.636 -2.562 1.00 0.12 H new ATOM 0 HG2 MET B 52 13.136 -15.105 -2.505 1.00 0.18 H new ATOM 0 HG3 MET B 52 12.471 -15.891 -1.087 1.00 0.18 H new ATOM 0 HE1 MET B 52 16.285 -16.748 -0.776 1.00 0.43 H new ATOM 0 HE2 MET B 52 15.557 -15.235 -1.365 1.00 0.43 H new ATOM 0 HE3 MET B 52 14.854 -16.073 0.039 1.00 0.43 H new ATOM 2233 N LEU B 53 10.434 -17.290 -6.156 1.00 0.10 N ATOM 2234 CA LEU B 53 9.468 -18.104 -6.894 1.00 0.11 C ATOM 2235 C LEU B 53 8.431 -18.708 -5.948 1.00 0.08 C ATOM 2236 O LEU B 53 8.126 -19.901 -6.004 1.00 0.10 O ATOM 2237 CB LEU B 53 10.182 -19.194 -7.698 1.00 0.19 C ATOM 2238 CG LEU B 53 10.742 -18.738 -9.049 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.801 -19.708 -9.536 1.00 0.62 C ATOM 2240 CD2 LEU B 53 9.630 -18.614 -10.079 1.00 1.07 C ATOM 0 H LEU B 53 10.540 -16.343 -6.519 1.00 0.10 H new ATOM 0 HA LEU B 53 8.942 -17.457 -7.596 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.000 -19.591 -7.097 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.485 -20.015 -7.869 1.00 0.19 H new ATOM 0 HG LEU B 53 11.199 -17.757 -8.915 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.189 -19.370 -10.497 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.614 -19.753 -8.812 1.00 0.62 H new ATOM 0 HD13 LEU B 53 11.362 -20.699 -9.650 1.00 0.62 H new ATOM 0 HD21 LEU B 53 10.050 -18.289 -11.031 1.00 1.07 H new ATOM 0 HD22 LEU B 53 9.144 -19.581 -10.208 1.00 1.07 H new ATOM 0 HD23 LEU B 53 8.897 -17.883 -9.737 1.00 1.07 H new ATOM 2252 N ASP B 54 7.890 -17.857 -5.087 1.00 0.09 N ATOM 2253 CA ASP B 54 6.894 -18.268 -4.109 1.00 0.12 C ATOM 2254 C ASP B 54 5.693 -17.324 -4.157 1.00 0.10 C ATOM 2255 O ASP B 54 5.869 -16.105 -4.220 1.00 0.18 O ATOM 2256 CB ASP B 54 7.522 -18.272 -2.713 1.00 0.19 C ATOM 2257 CG ASP B 54 6.524 -18.593 -1.625 1.00 0.24 C ATOM 2258 OD1 ASP B 54 6.092 -19.761 -1.539 1.00 0.28 O1- ATOM 2259 OD2 ASP B 54 6.167 -17.680 -0.856 1.00 0.26 O ATOM 0 H ASP B 54 8.128 -16.866 -5.047 1.00 0.09 H new ATOM 0 HA ASP B 54 6.548 -19.275 -4.343 1.00 0.12 H new ATOM 0 HB2 ASP B 54 8.331 -19.002 -2.685 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.966 -17.296 -2.516 1.00 0.19 H new ATOM 2264 N VAL B 55 4.483 -17.884 -4.133 1.00 0.11 N ATOM 2265 CA VAL B 55 3.260 -17.077 -4.207 1.00 0.12 C ATOM 2266 C VAL B 55 3.060 -16.190 -2.969 1.00 0.08 C ATOM 2267 O VAL B 55 2.886 -14.980 -3.119 1.00 0.04 O ATOM 2268 CB VAL B 55 1.999 -17.942 -4.450 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.812 -17.067 -4.833 1.00 0.08 C ATOM 2270 CG2 VAL B 55 2.262 -18.987 -5.525 1.00 0.32 C ATOM 0 H VAL B 55 4.322 -18.889 -4.063 1.00 0.11 H new ATOM 0 HA VAL B 55 3.397 -16.423 -5.068 1.00 0.12 H new ATOM 0 HB VAL B 55 1.758 -18.460 -3.522 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.064 -17.694 -4.999 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.605 -16.361 -4.028 1.00 0.08 H new ATOM 0 HG13 VAL B 55 1.044 -16.518 -5.746 1.00 0.08 H new ATOM 0 HG21 VAL B 55 1.363 -19.584 -5.680 1.00 0.32 H new ATOM 0 HG22 VAL B 55 2.533 -18.490 -6.457 1.00 0.32 H new ATOM 0 HG23 VAL B 55 3.079 -19.636 -5.209 1.00 0.32 H new ATOM 2280 N PRO B 56 3.065 -16.744 -1.729 1.00 0.10 N ATOM 2281 CA PRO B 56 2.893 -15.932 -0.512 1.00 0.10 C ATOM 2282 C PRO B 56 3.896 -14.779 -0.426 1.00 0.07 C ATOM 2283 O PRO B 56 3.516 -13.640 -0.146 1.00 0.14 O ATOM 2284 CB PRO B 56 3.123 -16.933 0.626 1.00 0.14 C ATOM 2285 CG PRO B 56 2.760 -18.247 0.033 1.00 0.15 C ATOM 2286 CD PRO B 56 3.208 -18.178 -1.398 1.00 0.14 C ATOM 0 HA PRO B 56 1.914 -15.453 -0.483 1.00 0.10 H new ATOM 0 HB2 PRO B 56 4.159 -16.921 0.964 1.00 0.14 H new ATOM 0 HB3 PRO B 56 2.503 -16.702 1.492 1.00 0.14 H new ATOM 0 HG2 PRO B 56 3.252 -19.065 0.559 1.00 0.15 H new ATOM 0 HG3 PRO B 56 1.687 -18.425 0.100 1.00 0.15 H new ATOM 0 HD2 PRO B 56 4.237 -18.517 -1.514 1.00 0.14 H new ATOM 0 HD3 PRO B 56 2.591 -18.804 -2.043 1.00 0.14 H new ATOM 2294 N LYS B 57 5.168 -15.076 -0.689 1.00 0.09 N ATOM 2295 CA LYS B 57 6.223 -14.063 -0.647 1.00 0.06 C ATOM 2296 C LYS B 57 6.000 -12.991 -1.710 1.00 0.07 C ATOM 2297 O LYS B 57 6.411 -11.847 -1.543 1.00 0.12 O ATOM 2298 CB LYS B 57 7.600 -14.703 -0.850 1.00 0.12 C ATOM 2299 CG LYS B 57 8.187 -15.317 0.413 1.00 0.17 C ATOM 2300 CD LYS B 57 9.280 -14.441 1.019 1.00 0.47 C ATOM 2301 CE LYS B 57 10.600 -14.588 0.275 1.00 0.23 C ATOM 2302 NZ LYS B 57 11.773 -14.264 1.138 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.494 -16.011 -0.934 1.00 0.09 H new ATOM 0 HA LYS B 57 6.187 -13.595 0.337 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.522 -15.475 -1.615 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.289 -13.948 -1.229 1.00 0.12 H new ATOM 0 HG2 LYS B 57 7.394 -15.467 1.146 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.597 -16.300 0.182 1.00 0.17 H new ATOM 0 HD2 LYS B 57 8.964 -13.398 0.996 1.00 0.47 H new ATOM 0 HD3 LYS B 57 9.421 -14.708 2.066 1.00 0.47 H new ATOM 0 HE2 LYS B 57 10.695 -15.609 -0.095 1.00 0.23 H new ATOM 0 HE3 LYS B 57 10.599 -13.932 -0.595 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 12.647 -14.569 0.664 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 11.809 -13.238 1.304 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 11.682 -14.759 2.048 1.00 0.62 H new ATOM 2316 N LEU B 58 5.343 -13.373 -2.799 1.00 0.07 N ATOM 2317 CA LEU B 58 5.062 -12.450 -3.893 1.00 0.11 C ATOM 2318 C LEU B 58 3.909 -11.521 -3.519 1.00 0.11 C ATOM 2319 O LEU B 58 3.987 -10.311 -3.718 1.00 0.14 O ATOM 2320 CB LEU B 58 4.718 -13.242 -5.169 1.00 0.14 C ATOM 2321 CG LEU B 58 4.945 -12.538 -6.525 1.00 0.16 C ATOM 2322 CD1 LEU B 58 3.988 -11.369 -6.713 1.00 0.17 C ATOM 2323 CD2 LEU B 58 6.392 -12.083 -6.672 1.00 0.27 C ATOM 0 H LEU B 58 4.994 -14.320 -2.948 1.00 0.07 H new ATOM 0 HA LEU B 58 5.948 -11.843 -4.081 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.305 -14.161 -5.164 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.669 -13.533 -5.112 1.00 0.14 H new ATOM 0 HG LEU B 58 4.738 -13.266 -7.309 1.00 0.16 H new ATOM 0 HD11 LEU B 58 4.176 -10.897 -7.677 1.00 0.17 H new ATOM 0 HD12 LEU B 58 2.960 -11.731 -6.680 1.00 0.17 H new ATOM 0 HD13 LEU B 58 4.142 -10.641 -5.916 1.00 0.17 H new ATOM 0 HD21 LEU B 58 6.523 -11.591 -7.636 1.00 0.27 H new ATOM 0 HD22 LEU B 58 6.637 -11.385 -5.872 1.00 0.27 H new ATOM 0 HD23 LEU B 58 7.053 -12.948 -6.614 1.00 0.27 H new ATOM 2335 N ALA B 59 2.850 -12.101 -2.968 1.00 0.08 N ATOM 2336 CA ALA B 59 1.666 -11.346 -2.571 1.00 0.09 C ATOM 2337 C ALA B 59 2.009 -10.221 -1.595 1.00 0.14 C ATOM 2338 O ALA B 59 1.524 -9.098 -1.734 1.00 0.31 O ATOM 2339 CB ALA B 59 0.637 -12.283 -1.963 1.00 0.07 C ATOM 0 H ALA B 59 2.786 -13.102 -2.784 1.00 0.08 H new ATOM 0 HA ALA B 59 1.249 -10.882 -3.465 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.245 -11.714 -1.669 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.353 -13.037 -2.697 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.063 -12.772 -1.087 1.00 0.07 H new ATOM 2345 N VAL B 60 2.852 -10.523 -0.620 1.00 0.02 N ATOM 2346 CA VAL B 60 3.247 -9.528 0.372 1.00 0.05 C ATOM 2347 C VAL B 60 4.295 -8.563 -0.196 1.00 0.08 C ATOM 2348 O VAL B 60 4.427 -7.427 0.267 1.00 0.12 O ATOM 2349 CB VAL B 60 3.778 -10.191 1.668 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.041 -10.991 1.398 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.013 -9.149 2.750 1.00 0.13 C ATOM 0 H VAL B 60 3.275 -11.442 -0.492 1.00 0.02 H new ATOM 0 HA VAL B 60 2.352 -8.959 0.625 1.00 0.05 H new ATOM 0 HB VAL B 60 3.017 -10.885 2.026 1.00 0.07 H new ATOM 0 HG11 VAL B 60 5.390 -11.444 2.326 1.00 0.07 H new ATOM 0 HG12 VAL B 60 4.827 -11.773 0.670 1.00 0.07 H new ATOM 0 HG13 VAL B 60 5.813 -10.330 1.004 1.00 0.07 H new ATOM 0 HG21 VAL B 60 4.386 -9.637 3.651 1.00 0.13 H new ATOM 0 HG22 VAL B 60 4.746 -8.422 2.402 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.076 -8.640 2.975 1.00 0.13 H new ATOM 2361 N LEU B 61 5.018 -9.012 -1.220 1.00 0.08 N ATOM 2362 CA LEU B 61 6.046 -8.191 -1.856 1.00 0.11 C ATOM 2363 C LEU B 61 5.418 -6.937 -2.453 1.00 0.11 C ATOM 2364 O LEU B 61 6.007 -5.855 -2.431 1.00 0.13 O ATOM 2365 CB LEU B 61 6.769 -8.992 -2.944 1.00 0.13 C ATOM 2366 CG LEU B 61 7.903 -8.255 -3.663 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.088 -8.045 -2.733 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.326 -9.020 -4.904 1.00 0.17 C ATOM 0 H LEU B 61 4.911 -9.941 -1.627 1.00 0.08 H new ATOM 0 HA LEU B 61 6.775 -7.895 -1.102 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.176 -9.898 -2.494 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.036 -9.307 -3.687 1.00 0.13 H new ATOM 0 HG LEU B 61 7.536 -7.275 -3.968 1.00 0.17 H new ATOM 0 HD11 LEU B 61 9.880 -7.520 -3.266 1.00 0.17 H new ATOM 0 HD12 LEU B 61 8.775 -7.453 -1.873 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.459 -9.012 -2.392 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.133 -8.484 -5.404 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.673 -10.013 -4.619 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.477 -9.113 -5.581 1.00 0.17 H new ATOM 2380 N THR B 62 4.208 -7.087 -2.974 1.00 0.10 N ATOM 2381 CA THR B 62 3.490 -5.975 -3.567 1.00 0.09 C ATOM 2382 C THR B 62 3.150 -4.918 -2.519 1.00 0.09 C ATOM 2383 O THR B 62 3.237 -3.721 -2.781 1.00 0.08 O ATOM 2384 CB THR B 62 2.196 -6.463 -4.242 1.00 0.10 C ATOM 2385 OG1 THR B 62 2.125 -7.895 -4.180 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.140 -6.019 -5.692 1.00 0.12 C ATOM 0 H THR B 62 3.704 -7.973 -2.996 1.00 0.10 H new ATOM 0 HA THR B 62 4.140 -5.527 -4.318 1.00 0.09 H new ATOM 0 HB THR B 62 1.350 -6.028 -3.711 1.00 0.10 H new ATOM 0 HG1 THR B 62 1.877 -8.171 -3.273 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.216 -6.376 -6.147 1.00 0.12 H new ATOM 0 HG22 THR B 62 2.171 -4.931 -5.741 1.00 0.12 H new ATOM 0 HG23 THR B 62 2.993 -6.431 -6.232 1.00 0.12 H new ATOM 2394 N ALA B 63 2.803 -5.372 -1.318 1.00 0.10 N ATOM 2395 CA ALA B 63 2.430 -4.481 -0.226 1.00 0.11 C ATOM 2396 C ALA B 63 3.582 -3.569 0.183 1.00 0.11 C ATOM 2397 O ALA B 63 3.437 -2.345 0.210 1.00 0.12 O ATOM 2398 CB ALA B 63 1.958 -5.292 0.972 1.00 0.10 C ATOM 0 H ALA B 63 2.773 -6.362 -1.076 1.00 0.10 H new ATOM 0 HA ALA B 63 1.617 -3.848 -0.581 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.682 -4.617 1.782 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.093 -5.891 0.688 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.761 -5.950 1.305 1.00 0.10 H new ATOM 2404 N VAL B 64 4.722 -4.174 0.484 1.00 0.09 N ATOM 2405 CA VAL B 64 5.902 -3.429 0.919 1.00 0.10 C ATOM 2406 C VAL B 64 6.388 -2.435 -0.147 1.00 0.12 C ATOM 2407 O VAL B 64 6.994 -1.420 0.186 1.00 0.12 O ATOM 2408 CB VAL B 64 7.049 -4.387 1.342 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.574 -5.191 0.166 1.00 0.12 C ATOM 2410 CG2 VAL B 64 8.180 -3.624 2.021 1.00 0.11 C ATOM 0 H VAL B 64 4.858 -5.184 0.436 1.00 0.09 H new ATOM 0 HA VAL B 64 5.602 -2.848 1.791 1.00 0.10 H new ATOM 0 HB VAL B 64 6.631 -5.091 2.062 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.375 -5.849 0.504 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.766 -5.789 -0.255 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.958 -4.513 -0.596 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.969 -4.320 2.306 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.583 -2.882 1.332 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.798 -3.124 2.911 1.00 0.11 H new ATOM 2420 N GLN B 65 6.103 -2.707 -1.418 1.00 0.15 N ATOM 2421 CA GLN B 65 6.523 -1.810 -2.493 1.00 0.19 C ATOM 2422 C GLN B 65 5.517 -0.677 -2.688 1.00 0.13 C ATOM 2423 O GLN B 65 5.903 0.475 -2.882 1.00 0.16 O ATOM 2424 CB GLN B 65 6.715 -2.575 -3.802 1.00 0.34 C ATOM 2425 CG GLN B 65 8.157 -3.030 -4.042 1.00 0.57 C ATOM 2426 CD GLN B 65 9.094 -1.885 -4.401 1.00 0.79 C ATOM 2427 OE1 GLN B 65 10.284 -1.921 -4.084 1.00 0.98 O ATOM 2428 NE2 GLN B 65 8.579 -0.875 -5.082 1.00 0.80 N ATOM 0 H GLN B 65 5.589 -3.532 -1.727 1.00 0.15 H new ATOM 0 HA GLN B 65 7.480 -1.375 -2.203 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.063 -3.448 -3.801 1.00 0.34 H new ATOM 0 HB3 GLN B 65 6.400 -1.943 -4.632 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.528 -3.528 -3.146 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.170 -3.767 -4.845 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.589 -0.878 -5.328 1.00 0.80 H new ATOM 0 HE22 GLN B 65 9.172 -0.093 -5.361 1.00 0.80 H new ATOM 2437 N ILE B 66 4.227 -1.003 -2.639 1.00 0.15 N ATOM 2438 CA ILE B 66 3.187 0.011 -2.800 1.00 0.16 C ATOM 2439 C ILE B 66 3.241 1.016 -1.652 1.00 0.11 C ATOM 2440 O ILE B 66 3.127 2.225 -1.859 1.00 0.27 O ATOM 2441 CB ILE B 66 1.771 -0.618 -2.849 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.616 -1.489 -4.097 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.693 0.463 -2.824 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.412 -2.413 -4.056 1.00 1.38 C ATOM 0 H ILE B 66 3.879 -1.950 -2.491 1.00 0.15 H new ATOM 0 HA ILE B 66 3.377 0.515 -3.748 1.00 0.16 H new ATOM 0 HB ILE B 66 1.649 -1.244 -1.965 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.536 -0.843 -4.971 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.518 -2.088 -4.224 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.291 -0.004 -2.859 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.785 1.047 -1.908 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.815 1.118 -3.686 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.370 -2.997 -4.975 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.498 -3.085 -3.202 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.498 -1.821 -3.961 1.00 1.38 H new ATOM 2456 N ALA B 67 3.441 0.505 -0.446 1.00 0.16 N ATOM 2457 CA ALA B 67 3.494 1.339 0.743 1.00 0.13 C ATOM 2458 C ALA B 67 4.709 2.268 0.752 1.00 0.06 C ATOM 2459 O ALA B 67 4.641 3.373 1.285 1.00 0.09 O ATOM 2460 CB ALA B 67 3.483 0.469 1.988 1.00 0.16 C ATOM 0 H ALA B 67 3.570 -0.491 -0.266 1.00 0.16 H new ATOM 0 HA ALA B 67 2.609 1.975 0.734 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.523 1.102 2.875 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.570 -0.126 2.008 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.348 -0.194 1.976 1.00 0.16 H new ATOM 2466 N SER B 68 5.814 1.837 0.151 1.00 0.08 N ATOM 2467 CA SER B 68 7.024 2.653 0.123 1.00 0.06 C ATOM 2468 C SER B 68 6.918 3.770 -0.911 1.00 0.16 C ATOM 2469 O SER B 68 7.188 4.935 -0.608 1.00 0.21 O ATOM 2470 CB SER B 68 8.254 1.784 -0.155 1.00 0.06 C ATOM 2471 OG SER B 68 7.933 0.715 -1.023 1.00 0.28 O ATOM 0 H SER B 68 5.897 0.936 -0.319 1.00 0.08 H new ATOM 0 HA SER B 68 7.135 3.114 1.105 1.00 0.06 H new ATOM 0 HB2 SER B 68 9.042 2.393 -0.598 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.645 1.391 0.783 1.00 0.06 H new ATOM 0 HG SER B 68 7.808 -0.105 -0.500 1.00 0.28 H new ATOM 2477 N GLU B 69 6.502 3.417 -2.127 1.00 0.26 N ATOM 2478 CA GLU B 69 6.362 4.397 -3.202 1.00 0.35 C ATOM 2479 C GLU B 69 5.264 5.413 -2.885 1.00 0.24 C ATOM 2480 O GLU B 69 5.255 6.521 -3.423 1.00 0.18 O ATOM 2481 CB GLU B 69 6.104 3.707 -4.552 1.00 0.52 C ATOM 2482 CG GLU B 69 4.793 2.932 -4.648 1.00 0.44 C ATOM 2483 CD GLU B 69 4.761 1.987 -5.838 1.00 1.20 C ATOM 2484 OE1 GLU B 69 5.832 1.735 -6.431 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 3.667 1.495 -6.194 1.00 1.71 O ATOM 0 H GLU B 69 6.257 2.463 -2.391 1.00 0.26 H new ATOM 0 HA GLU B 69 7.304 4.939 -3.280 1.00 0.35 H new ATOM 0 HB2 GLU B 69 6.118 4.464 -5.337 1.00 0.52 H new ATOM 0 HB3 GLU B 69 6.927 3.022 -4.755 1.00 0.52 H new ATOM 0 HG2 GLU B 69 4.644 2.362 -3.731 1.00 0.44 H new ATOM 0 HG3 GLU B 69 3.964 3.635 -4.724 1.00 0.44 H new ATOM 2492 N TYR B 70 4.353 5.044 -1.995 1.00 0.23 N ATOM 2493 CA TYR B 70 3.266 5.931 -1.604 1.00 0.15 C ATOM 2494 C TYR B 70 3.617 6.706 -0.334 1.00 0.08 C ATOM 2495 O TYR B 70 3.059 7.774 -0.077 1.00 0.12 O ATOM 2496 CB TYR B 70 1.977 5.136 -1.386 1.00 0.24 C ATOM 2497 CG TYR B 70 0.958 5.303 -2.490 1.00 0.32 C ATOM 2498 CD1 TYR B 70 1.289 5.068 -3.818 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.342 5.697 -2.198 1.00 0.57 C ATOM 2500 CE1 TYR B 70 0.353 5.220 -4.824 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.283 5.850 -3.199 1.00 0.56 C ATOM 2502 CZ TYR B 70 -0.930 5.614 -4.508 1.00 0.50 C ATOM 2503 OH TYR B 70 -1.865 5.769 -5.507 1.00 0.59 O ATOM 0 H TYR B 70 4.345 4.136 -1.530 1.00 0.23 H new ATOM 0 HA TYR B 70 3.113 6.645 -2.413 1.00 0.15 H new ATOM 0 HB2 TYR B 70 2.226 4.079 -1.292 1.00 0.24 H new ATOM 0 HB3 TYR B 70 1.528 5.443 -0.441 1.00 0.24 H new ATOM 0 HD1 TYR B 70 2.294 4.762 -4.069 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -0.622 5.887 -1.172 1.00 0.57 H new ATOM 0 HE1 TYR B 70 0.625 5.031 -5.852 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.290 6.153 -2.955 1.00 0.56 H new ATOM 0 HH TYR B 70 -2.683 5.285 -5.268 1.00 0.59 H new ATOM 2513 N LEU B 71 4.549 6.174 0.452 1.00 0.09 N ATOM 2514 CA LEU B 71 4.962 6.817 1.697 1.00 0.17 C ATOM 2515 C LEU B 71 5.596 8.176 1.421 1.00 0.22 C ATOM 2516 O LEU B 71 5.324 9.157 2.115 1.00 0.26 O ATOM 2517 CB LEU B 71 5.945 5.929 2.472 1.00 0.24 C ATOM 2518 CG LEU B 71 6.225 6.371 3.924 1.00 0.27 C ATOM 2519 CD1 LEU B 71 4.977 6.253 4.792 1.00 0.32 C ATOM 2520 CD2 LEU B 71 7.363 5.568 4.542 1.00 0.32 C ATOM 0 H LEU B 71 5.033 5.299 0.249 1.00 0.09 H new ATOM 0 HA LEU B 71 4.070 6.964 2.306 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.556 4.911 2.488 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.890 5.901 1.929 1.00 0.24 H new ATOM 0 HG LEU B 71 6.523 7.419 3.884 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.209 6.572 5.808 1.00 0.32 H new ATOM 0 HD12 LEU B 71 4.189 6.886 4.384 1.00 0.32 H new ATOM 0 HD13 LEU B 71 4.640 5.217 4.805 1.00 0.32 H new ATOM 0 HD21 LEU B 71 7.533 5.906 5.564 1.00 0.32 H new ATOM 0 HD22 LEU B 71 7.100 4.510 4.548 1.00 0.32 H new ATOM 0 HD23 LEU B 71 8.271 5.713 3.956 1.00 0.32 H new ATOM 2532 N LYS B 72 6.438 8.225 0.396 1.00 0.23 N ATOM 2533 CA LYS B 72 7.106 9.464 0.010 1.00 0.27 C ATOM 2534 C LYS B 72 6.092 10.486 -0.500 1.00 0.24 C ATOM 2535 O LYS B 72 6.303 11.693 -0.387 1.00 0.29 O ATOM 2536 CB LYS B 72 8.162 9.192 -1.071 1.00 0.31 C ATOM 2537 CG LYS B 72 7.597 8.600 -2.358 1.00 0.38 C ATOM 2538 CD LYS B 72 8.642 8.542 -3.459 1.00 0.40 C ATOM 2539 CE LYS B 72 8.146 7.757 -4.659 1.00 0.52 C ATOM 2540 NZ LYS B 72 9.243 7.455 -5.611 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.675 7.420 -0.184 1.00 0.23 H new ATOM 0 HA LYS B 72 7.601 9.871 0.892 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.674 10.125 -1.307 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.911 8.510 -0.668 1.00 0.31 H new ATOM 0 HG2 LYS B 72 7.220 7.596 -2.161 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.750 9.199 -2.692 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.902 9.554 -3.768 1.00 0.40 H new ATOM 0 HD3 LYS B 72 9.552 8.082 -3.074 1.00 0.40 H new ATOM 0 HE2 LYS B 72 7.691 6.826 -4.321 1.00 0.52 H new ATOM 0 HE3 LYS B 72 7.368 8.325 -5.169 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 8.927 6.729 -6.285 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 9.501 8.319 -6.129 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 10.071 7.105 -5.087 1.00 0.58 H new ATOM 2554 N LEU B 73 4.984 9.989 -1.035 1.00 0.17 N ATOM 2555 CA LEU B 73 3.940 10.849 -1.573 1.00 0.14 C ATOM 2556 C LEU B 73 3.133 11.497 -0.451 1.00 0.11 C ATOM 2557 O LEU B 73 2.867 12.699 -0.487 1.00 0.09 O ATOM 2558 CB LEU B 73 3.018 10.045 -2.494 1.00 0.13 C ATOM 2559 CG LEU B 73 2.021 10.868 -3.313 1.00 0.12 C ATOM 2560 CD1 LEU B 73 2.747 11.762 -4.306 1.00 0.08 C ATOM 2561 CD2 LEU B 73 1.049 9.949 -4.040 1.00 0.15 C ATOM 0 H LEU B 73 4.786 8.991 -1.108 1.00 0.17 H new ATOM 0 HA LEU B 73 4.415 11.642 -2.150 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.635 9.466 -3.181 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.461 9.331 -1.887 1.00 0.13 H new ATOM 0 HG LEU B 73 1.458 11.503 -2.629 1.00 0.12 H new ATOM 0 HD11 LEU B 73 2.019 12.338 -4.877 1.00 0.08 H new ATOM 0 HD12 LEU B 73 3.406 12.443 -3.768 1.00 0.08 H new ATOM 0 HD13 LEU B 73 3.337 11.147 -4.986 1.00 0.08 H new ATOM 0 HD21 LEU B 73 0.346 10.548 -4.619 1.00 0.15 H new ATOM 0 HD22 LEU B 73 1.602 9.291 -4.710 1.00 0.15 H new ATOM 0 HD23 LEU B 73 0.502 9.349 -3.313 1.00 0.15 H new ATOM 2573 N LYS B 74 2.758 10.705 0.551 1.00 0.11 N ATOM 2574 CA LYS B 74 1.983 11.224 1.672 1.00 0.10 C ATOM 2575 C LYS B 74 2.841 12.140 2.538 1.00 0.13 C ATOM 2576 O LYS B 74 2.321 12.993 3.255 1.00 0.13 O ATOM 2577 CB LYS B 74 1.383 10.086 2.512 1.00 0.12 C ATOM 2578 CG LYS B 74 2.409 9.221 3.226 1.00 0.20 C ATOM 2579 CD LYS B 74 2.191 9.214 4.734 1.00 0.28 C ATOM 2580 CE LYS B 74 0.905 8.497 5.114 1.00 0.32 C ATOM 2581 NZ LYS B 74 1.032 7.771 6.407 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.976 9.710 0.609 1.00 0.11 H new ATOM 0 HA LYS B 74 1.156 11.807 1.266 1.00 0.10 H new ATOM 0 HB2 LYS B 74 0.709 10.515 3.254 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.780 9.451 1.863 1.00 0.12 H new ATOM 0 HG2 LYS B 74 2.352 8.201 2.846 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.411 9.588 3.005 1.00 0.20 H new ATOM 0 HD2 LYS B 74 3.036 8.728 5.221 1.00 0.28 H new ATOM 0 HD3 LYS B 74 2.158 10.240 5.101 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.093 9.221 5.183 1.00 0.32 H new ATOM 0 HE3 LYS B 74 0.637 7.792 4.327 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 0.190 7.951 6.990 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 1.115 6.750 6.225 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 1.879 8.103 6.910 1.00 0.43 H new ATOM 2595 N GLU B 75 4.154 11.966 2.462 1.00 0.17 N ATOM 2596 CA GLU B 75 5.065 12.795 3.230 1.00 0.20 C ATOM 2597 C GLU B 75 5.237 14.143 2.542 1.00 0.16 C ATOM 2598 O GLU B 75 5.278 15.186 3.200 1.00 0.20 O ATOM 2599 CB GLU B 75 6.416 12.108 3.395 1.00 0.27 C ATOM 2600 CG GLU B 75 7.308 12.776 4.424 1.00 0.36 C ATOM 2601 CD GLU B 75 8.572 11.993 4.701 1.00 0.45 C ATOM 2602 OE1 GLU B 75 9.567 12.198 3.985 1.00 0.55 O ATOM 2603 OE2 GLU B 75 8.576 11.159 5.632 1.00 0.44 O1- ATOM 0 H GLU B 75 4.607 11.262 1.879 1.00 0.17 H new ATOM 0 HA GLU B 75 4.642 12.951 4.223 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.255 11.069 3.684 1.00 0.27 H new ATOM 0 HB3 GLU B 75 6.929 12.095 2.433 1.00 0.27 H new ATOM 0 HG2 GLU B 75 7.573 13.774 4.075 1.00 0.36 H new ATOM 0 HG3 GLU B 75 6.752 12.901 5.353 1.00 0.36 H new ATOM 2610 N GLU B 76 5.328 14.109 1.214 1.00 0.13 N ATOM 2611 CA GLU B 76 5.469 15.321 0.416 1.00 0.11 C ATOM 2612 C GLU B 76 4.291 16.242 0.685 1.00 0.08 C ATOM 2613 O GLU B 76 4.434 17.462 0.769 1.00 0.08 O ATOM 2614 CB GLU B 76 5.540 14.969 -1.073 1.00 0.17 C ATOM 2615 CG GLU B 76 5.639 16.182 -1.987 1.00 0.18 C ATOM 2616 CD GLU B 76 6.966 16.899 -1.864 1.00 0.21 C ATOM 2617 OE1 GLU B 76 7.133 17.704 -0.923 1.00 0.20 O ATOM 2618 OE2 GLU B 76 7.847 16.671 -2.718 1.00 0.34 O1- ATOM 0 H GLU B 76 5.306 13.248 0.667 1.00 0.13 H new ATOM 0 HA GLU B 76 6.392 15.830 0.693 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.403 14.326 -1.244 1.00 0.17 H new ATOM 0 HB3 GLU B 76 4.655 14.393 -1.343 1.00 0.17 H new ATOM 0 HG2 GLU B 76 5.496 15.866 -3.020 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.832 16.876 -1.751 1.00 0.18 H new ATOM 2625 N TYR B 77 3.131 15.619 0.858 1.00 0.07 N ATOM 2626 CA TYR B 77 1.884 16.320 1.137 1.00 0.11 C ATOM 2627 C TYR B 77 2.038 17.283 2.317 1.00 0.13 C ATOM 2628 O TYR B 77 1.440 18.356 2.334 1.00 0.22 O ATOM 2629 CB TYR B 77 0.779 15.295 1.420 1.00 0.13 C ATOM 2630 CG TYR B 77 -0.532 15.892 1.886 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -1.099 16.972 1.230 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -1.205 15.363 2.979 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -2.298 17.511 1.646 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -2.407 15.893 3.402 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.950 16.967 2.734 1.00 0.20 C ATOM 2636 OH TYR B 77 -4.155 17.495 3.149 1.00 0.23 O ATOM 0 H TYR B 77 3.029 14.605 0.808 1.00 0.07 H new ATOM 0 HA TYR B 77 1.615 16.915 0.264 1.00 0.11 H new ATOM 0 HB2 TYR B 77 0.598 14.717 0.514 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.135 14.597 2.178 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.593 17.400 0.377 1.00 0.12 H new ATOM 0 HD2 TYR B 77 -0.781 14.522 3.507 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -2.725 18.354 1.123 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -2.919 15.467 4.252 1.00 0.25 H new ATOM 0 HH TYR B 77 -4.480 16.996 3.927 1.00 0.23 H new ATOM 2646 N GLN B 78 2.844 16.901 3.295 1.00 0.22 N ATOM 2647 CA GLN B 78 3.062 17.743 4.462 1.00 0.30 C ATOM 2648 C GLN B 78 4.284 18.635 4.257 1.00 0.37 C ATOM 2649 O GLN B 78 4.274 19.810 4.621 1.00 0.84 O ATOM 2650 CB GLN B 78 3.238 16.882 5.718 1.00 0.28 C ATOM 2651 CG GLN B 78 2.166 15.811 5.892 1.00 0.17 C ATOM 2652 CD GLN B 78 0.766 16.374 6.097 1.00 0.26 C ATOM 2653 OE1 GLN B 78 0.406 17.427 5.559 1.00 0.53 O ATOM 2654 NE2 GLN B 78 -0.037 15.680 6.884 1.00 0.24 N ATOM 0 H GLN B 78 3.356 16.019 3.305 1.00 0.22 H new ATOM 0 HA GLN B 78 2.187 18.379 4.595 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.215 16.401 5.682 1.00 0.28 H new ATOM 0 HB3 GLN B 78 3.234 17.531 6.594 1.00 0.28 H new ATOM 0 HG2 GLN B 78 2.164 15.166 5.013 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.425 15.185 6.746 1.00 0.17 H new ATOM 0 HE21 GLN B 78 0.292 14.815 7.312 1.00 0.24 H new ATOM 0 HE22 GLN B 78 -0.986 16.010 7.063 1.00 0.24 H new ATOM 2663 N ARG B 79 5.311 18.070 3.630 1.00 0.28 N ATOM 2664 CA ARG B 79 6.568 18.773 3.370 1.00 0.30 C ATOM 2665 C ARG B 79 6.369 20.087 2.609 1.00 0.27 C ATOM 2666 O ARG B 79 6.899 21.126 3.005 1.00 0.23 O ATOM 2667 CB ARG B 79 7.517 17.869 2.578 1.00 0.34 C ATOM 2668 CG ARG B 79 8.809 18.551 2.163 1.00 0.63 C ATOM 2669 CD ARG B 79 9.516 17.784 1.057 1.00 0.85 C ATOM 2670 NE ARG B 79 10.577 18.577 0.439 1.00 1.45 N ATOM 2671 CZ ARG B 79 10.417 19.312 -0.664 1.00 1.28 C ATOM 2672 NH1 ARG B 79 9.261 19.301 -1.322 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 11.424 20.043 -1.121 1.00 2.05 N ATOM 0 H ARG B 79 5.298 17.110 3.286 1.00 0.28 H new ATOM 0 HA ARG B 79 6.997 19.020 4.341 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.757 16.993 3.181 1.00 0.34 H new ATOM 0 HB3 ARG B 79 7.003 17.511 1.686 1.00 0.34 H new ATOM 0 HG2 ARG B 79 8.594 19.564 1.824 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.469 18.637 3.026 1.00 0.63 H new ATOM 0 HD2 ARG B 79 9.939 16.866 1.465 1.00 0.85 H new ATOM 0 HD3 ARG B 79 8.791 17.491 0.297 1.00 0.85 H new ATOM 0 HE ARG B 79 11.498 18.568 0.878 1.00 1.45 H new ATOM 0 HH11 ARG B 79 8.488 18.728 -0.985 1.00 0.73 H new ATOM 0 HH12 ARG B 79 9.148 19.866 -2.164 1.00 0.73 H new ATOM 0 HH21 ARG B 79 12.318 20.043 -0.630 1.00 2.05 H new ATOM 0 HH22 ARG B 79 11.305 20.606 -1.963 1.00 2.05 H new ATOM 2687 N LEU B 80 5.601 20.047 1.528 1.00 0.30 N ATOM 2688 CA LEU B 80 5.383 21.243 0.718 1.00 0.28 C ATOM 2689 C LEU B 80 4.417 22.223 1.382 1.00 0.23 C ATOM 2690 O LEU B 80 4.370 23.400 1.015 1.00 0.28 O ATOM 2691 CB LEU B 80 4.860 20.854 -0.665 1.00 0.31 C ATOM 2692 CG LEU B 80 3.365 20.500 -0.722 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.565 21.615 -1.389 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.147 19.184 -1.452 1.00 0.44 C ATOM 0 H LEU B 80 5.123 19.211 1.193 1.00 0.30 H new ATOM 0 HA LEU B 80 6.345 21.746 0.620 1.00 0.28 H new ATOM 0 HB2 LEU B 80 5.049 21.679 -1.353 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.433 20.000 -1.026 1.00 0.31 H new ATOM 0 HG LEU B 80 3.010 20.389 0.303 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.511 21.340 -1.417 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.684 22.538 -0.822 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.928 21.765 -2.406 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.082 18.955 -1.479 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.527 19.266 -2.470 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.676 18.387 -0.930 1.00 0.44 H new ATOM 2706 N ARG B 81 3.655 21.753 2.358 1.00 0.20 N ATOM 2707 CA ARG B 81 2.682 22.610 3.027 1.00 0.15 C ATOM 2708 C ARG B 81 3.256 23.252 4.287 1.00 0.15 C ATOM 2709 O ARG B 81 2.934 24.396 4.602 1.00 0.43 O ATOM 2710 CB ARG B 81 1.411 21.828 3.364 1.00 0.22 C ATOM 2711 CG ARG B 81 0.697 21.297 2.131 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.713 20.834 2.452 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.754 19.976 3.637 1.00 1.05 N ATOM 2714 CZ ARG B 81 -1.627 20.119 4.637 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.519 21.104 4.616 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -1.598 19.284 5.669 1.00 2.12 N ATOM 0 H ARG B 81 3.689 20.794 2.703 1.00 0.20 H new ATOM 0 HA ARG B 81 2.431 23.412 2.332 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.667 20.993 4.017 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.731 22.472 3.922 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.659 22.076 1.369 1.00 0.32 H new ATOM 0 HG3 ARG B 81 1.265 20.467 1.711 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.352 21.703 2.612 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.119 20.292 1.598 1.00 0.65 H new ATOM 0 HE ARG B 81 -0.072 19.220 3.703 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.540 21.757 3.832 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -3.183 21.207 5.383 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -0.909 18.533 5.698 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -2.265 19.394 6.433 1.00 2.12 H new ATOM 2730 N GLU B 82 4.114 22.524 4.997 1.00 0.39 N ATOM 2731 CA GLU B 82 4.715 23.044 6.224 1.00 0.44 C ATOM 2732 C GLU B 82 5.603 24.250 5.926 1.00 0.34 C ATOM 2733 O GLU B 82 5.803 25.109 6.785 1.00 0.27 O ATOM 2734 CB GLU B 82 5.515 21.956 6.946 1.00 0.69 C ATOM 2735 CG GLU B 82 6.710 21.432 6.167 1.00 0.48 C ATOM 2736 CD GLU B 82 7.517 20.431 6.963 1.00 0.92 C ATOM 2737 OE1 GLU B 82 8.435 20.852 7.697 1.00 1.27 O ATOM 2738 OE2 GLU B 82 7.241 19.221 6.865 1.00 1.70 O1- ATOM 0 H GLU B 82 4.408 21.580 4.747 1.00 0.39 H new ATOM 0 HA GLU B 82 3.907 23.366 6.881 1.00 0.44 H new ATOM 0 HB2 GLU B 82 5.864 22.352 7.900 1.00 0.69 H new ATOM 0 HB3 GLU B 82 4.850 21.122 7.171 1.00 0.69 H new ATOM 0 HG2 GLU B 82 6.364 20.966 5.245 1.00 0.48 H new ATOM 0 HG3 GLU B 82 7.350 22.267 5.882 1.00 0.48 H new ATOM 2745 N GLN B 83 6.115 24.314 4.705 1.00 0.35 N ATOM 2746 CA GLN B 83 6.968 25.419 4.287 1.00 0.31 C ATOM 2747 C GLN B 83 6.134 26.674 4.025 1.00 0.28 C ATOM 2748 O GLN B 83 6.651 27.794 4.040 1.00 0.30 O ATOM 2749 CB GLN B 83 7.747 25.032 3.026 1.00 0.36 C ATOM 2750 CG GLN B 83 8.658 26.131 2.503 1.00 0.39 C ATOM 2751 CD GLN B 83 9.002 25.949 1.038 1.00 0.29 C ATOM 2752 OE1 GLN B 83 8.252 25.332 0.281 1.00 0.45 O ATOM 2753 NE2 GLN B 83 10.135 26.492 0.625 1.00 0.89 N ATOM 0 H GLN B 83 5.954 23.611 3.984 1.00 0.35 H new ATOM 0 HA GLN B 83 7.673 25.635 5.089 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.347 24.147 3.239 1.00 0.36 H new ATOM 0 HB3 GLN B 83 7.039 24.757 2.244 1.00 0.36 H new ATOM 0 HG2 GLN B 83 8.174 27.097 2.642 1.00 0.39 H new ATOM 0 HG3 GLN B 83 9.577 26.147 3.090 1.00 0.39 H new ATOM 0 HE21 GLN B 83 10.729 26.996 1.284 1.00 0.89 H new ATOM 0 HE22 GLN B 83 10.415 26.407 -0.352 1.00 0.89 H new ATOM 2762 N LEU B 84 4.838 26.486 3.811 1.00 0.27 N ATOM 2763 CA LEU B 84 3.940 27.604 3.531 1.00 0.26 C ATOM 2764 C LEU B 84 3.497 28.286 4.823 1.00 0.19 C ATOM 2765 O LEU B 84 3.313 29.502 4.866 1.00 0.26 O ATOM 2766 CB LEU B 84 2.713 27.132 2.741 1.00 0.39 C ATOM 2767 CG LEU B 84 2.585 27.725 1.327 1.00 0.50 C ATOM 2768 CD1 LEU B 84 1.503 27.012 0.520 1.00 0.62 C ATOM 2769 CD2 LEU B 84 2.293 29.222 1.388 1.00 1.24 C ATOM 0 H LEU B 84 4.384 25.573 3.825 1.00 0.27 H new ATOM 0 HA LEU B 84 4.489 28.327 2.927 1.00 0.26 H new ATOM 0 HB2 LEU B 84 2.746 26.045 2.662 1.00 0.39 H new ATOM 0 HB3 LEU B 84 1.816 27.383 3.307 1.00 0.39 H new ATOM 0 HG LEU B 84 3.540 27.575 0.824 1.00 0.50 H new ATOM 0 HD11 LEU B 84 1.439 27.455 -0.474 1.00 0.62 H new ATOM 0 HD12 LEU B 84 1.753 25.955 0.430 1.00 0.62 H new ATOM 0 HD13 LEU B 84 0.543 27.116 1.027 1.00 0.62 H new ATOM 0 HD21 LEU B 84 2.207 29.617 0.376 1.00 1.24 H new ATOM 0 HD22 LEU B 84 1.358 29.389 1.923 1.00 1.24 H new ATOM 0 HD23 LEU B 84 3.105 29.730 1.908 1.00 1.24 H new ATOM 2781 N LYS B 85 3.326 27.498 5.873 1.00 0.35 N ATOM 2782 CA LYS B 85 2.906 28.034 7.159 1.00 0.59 C ATOM 2783 C LYS B 85 4.114 28.290 8.055 1.00 0.72 C ATOM 2784 O LYS B 85 5.231 27.886 7.735 1.00 0.98 O ATOM 2785 CB LYS B 85 1.936 27.073 7.855 1.00 0.69 C ATOM 2786 CG LYS B 85 2.610 25.820 8.401 1.00 0.66 C ATOM 2787 CD LYS B 85 1.900 25.282 9.635 1.00 0.84 C ATOM 2788 CE LYS B 85 2.713 24.185 10.308 1.00 1.01 C ATOM 2789 NZ LYS B 85 4.069 24.657 10.702 1.00 1.80 N1+ ATOM 0 H LYS B 85 3.471 26.488 5.861 1.00 0.35 H new ATOM 0 HA LYS B 85 2.395 28.980 6.979 1.00 0.59 H new ATOM 0 HB2 LYS B 85 1.443 27.597 8.674 1.00 0.69 H new ATOM 0 HB3 LYS B 85 1.158 26.780 7.150 1.00 0.69 H new ATOM 0 HG2 LYS B 85 2.627 25.051 7.628 1.00 0.66 H new ATOM 0 HG3 LYS B 85 3.647 26.045 8.649 1.00 0.66 H new ATOM 0 HD2 LYS B 85 1.727 26.094 10.341 1.00 0.84 H new ATOM 0 HD3 LYS B 85 0.922 24.892 9.353 1.00 0.84 H new ATOM 0 HE2 LYS B 85 2.182 23.830 11.191 1.00 1.01 H new ATOM 0 HE3 LYS B 85 2.807 23.336 9.631 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 4.380 24.148 11.554 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 4.739 24.475 9.927 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 4.037 25.677 10.900 1.00 1.80 H new ATOM 2803 N LYS B 86 3.884 28.956 9.177 1.00 0.59 N ATOM 2804 CA LYS B 86 4.956 29.254 10.113 1.00 0.82 C ATOM 2805 C LYS B 86 5.029 28.167 11.179 1.00 0.82 C ATOM 2806 O LYS B 86 4.152 27.278 11.183 1.00 1.02 O ATOM 2807 CB LYS B 86 4.737 30.614 10.778 1.00 1.00 C ATOM 2808 CG LYS B 86 4.893 31.800 9.842 1.00 1.09 C ATOM 2809 CD LYS B 86 4.735 33.110 10.593 1.00 1.23 C ATOM 2810 CE LYS B 86 4.884 34.311 9.675 1.00 1.10 C ATOM 2811 NZ LYS B 86 6.251 34.414 9.101 1.00 0.86 N1+ ATOM 0 H LYS B 86 2.966 29.299 9.460 1.00 0.59 H new ATOM 0 HA LYS B 86 5.895 29.287 9.560 1.00 0.82 H new ATOM 0 HB2 LYS B 86 3.737 30.637 11.211 1.00 1.00 H new ATOM 0 HB3 LYS B 86 5.443 30.721 11.601 1.00 1.00 H new ATOM 0 HG2 LYS B 86 5.873 31.766 9.366 1.00 1.09 H new ATOM 0 HG3 LYS B 86 4.150 31.741 9.047 1.00 1.09 H new ATOM 0 HD2 LYS B 86 3.756 33.138 11.072 1.00 1.23 H new ATOM 0 HD3 LYS B 86 5.480 33.165 11.387 1.00 1.23 H new ATOM 0 HE2 LYS B 86 4.157 34.240 8.866 1.00 1.10 H new ATOM 0 HE3 LYS B 86 4.656 35.221 10.230 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 6.358 35.331 8.622 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 6.954 34.338 9.863 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 6.399 33.646 8.416 1.00 0.86 H new TER 2825 LYS B 86