USER MOD reduce.3.24.130724 H: found=0, std=0, add=1434, rem=0, adj=44 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 42 LYS NZ :NH3+ 144:sc= 3.61 (180deg=0.7) USER MOD Set 1.2: B 65 GLN : amide:sc= 0.0502 K(o=3.7,f=-8.3!) USER MOD Set 2.1: B 17 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 44 HIS : no HE2:sc= -3.19! C(o=-3.2!,f=-11!) USER MOD Set 3.1: B 19 GLN :FLIP amide:sc= -0.0981 F(o=-1.6!,f=-0.36) USER MOD Set 3.2: B 21 TYR OH : rot 171:sc= -0.259 USER MOD Set 4.1: B 13 SER OG : rot 180:sc= 0.859 USER MOD Set 4.2: B 22 THR OG1 : rot -89:sc= 0.991 USER MOD Set 5.1: A 42 LYS NZ :NH3+ -110:sc= 2.38 (180deg=-0.409) USER MOD Set 5.2: A 65 GLN : amide:sc= 0.774 K(o=3.2,f=-9!) USER MOD Set 6.1: A 17 TYR OH : rot 26:sc= 0.462 USER MOD Set 6.2: A 47 SER OG : rot 90:sc= 1.66 USER MOD Set 7.1: A 19 GLN : amide:sc= -0.847! X(o=-0.38!,f=-0.8) USER MOD Set 7.2: A 21 TYR OH : rot 180:sc= 0.466 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0969 USER MOD Single : A 7 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.53) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.047 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 83:sc= 1.11 USER MOD Single : A 31 HIS : no HD1:sc= 0.241 K(o=0.24,f=-7.9!) USER MOD Single : A 43 MET CE :methyl -166:sc= -1.85 (180deg=-2.68) USER MOD Single : A 44 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0.017) USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= 0.616 (180deg=-0.178) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 52 MET CE :methyl 157:sc= -0.932 (180deg=-1.32) USER MOD Single : A 57 LYS NZ :NH3+ 134:sc= 1.29 (180deg=0.691) USER MOD Single : A 62 THR OG1 : rot -42:sc= 1.24 USER MOD Single : A 68 SER OG : rot 95:sc= 0.747 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= 1.23 (180deg=0.678) USER MOD Single : A 74 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= -0.932 X(o=-0.93,f=-0.45) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 168:sc= 0.413 (180deg=0.244) 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 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.39) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 12:sc= 1.24 USER MOD Single : B 31 HIS : +bothHN:sc= 2.02 K(o=2,f=-8!) USER MOD Single : B 43 MET CE :methyl -176:sc= -0.688 (180deg=-0.765) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0267) USER MOD Single : B 50 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.3!) USER MOD Single : B 52 MET CE :methyl -114:sc= 0 (180deg=-1.2) USER MOD Single : B 57 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.13) USER MOD Single : B 62 THR OG1 : rot 51:sc= 0.601 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 70 TYR OH : rot -2:sc= 0.0515 USER MOD Single : B 72 LYS NZ :NH3+ -177:sc= 0.939 (180deg=0.916) USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 132:sc= 1.33 USER MOD Single : B 78 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.064) USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 85 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0797) USER MOD Single : B 86 LYS NZ :NH3+ 168:sc= 0.179 (180deg=-0.427) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.040 -2.750 -18.843 1.00 0.23 N ATOM 2 CA GLY A 1 34.940 -1.898 -19.353 1.00 0.52 C ATOM 3 C GLY A 1 34.489 -0.866 -18.337 1.00 0.32 C ATOM 4 O GLY A 1 33.515 -1.079 -17.614 1.00 0.19 O ATOM 0 H1 GLY A 1 36.313 -3.439 -19.573 1.00 0.23 H new ATOM 0 H2 GLY A 1 36.859 -2.154 -18.606 1.00 0.23 H new ATOM 0 H3 GLY A 1 35.721 -3.256 -17.992 1.00 0.23 H new ATOM 0 HA2 GLY A 1 35.268 -1.391 -20.261 1.00 0.52 H new ATOM 0 HA3 GLY A 1 34.094 -2.528 -19.627 1.00 0.52 H new ATOM 10 N SER A 2 35.196 0.250 -18.274 1.00 0.42 N ATOM 11 CA SER A 2 34.861 1.317 -17.346 1.00 0.34 C ATOM 12 C SER A 2 34.219 2.486 -18.087 1.00 0.28 C ATOM 13 O SER A 2 34.881 3.190 -18.849 1.00 0.53 O ATOM 14 CB SER A 2 36.117 1.789 -16.613 1.00 0.58 C ATOM 15 OG SER A 2 37.045 0.724 -16.455 1.00 0.54 O ATOM 0 H SER A 2 36.010 0.441 -18.858 1.00 0.42 H new ATOM 0 HA SER A 2 34.148 0.932 -16.617 1.00 0.34 H new ATOM 0 HB2 SER A 2 36.583 2.603 -17.169 1.00 0.58 H new ATOM 0 HB3 SER A 2 35.844 2.186 -15.635 1.00 0.58 H new ATOM 0 HG SER A 2 37.841 1.050 -15.985 1.00 0.54 H new ATOM 21 N HIS A 3 32.923 2.678 -17.880 1.00 0.18 N ATOM 22 CA HIS A 3 32.206 3.770 -18.528 1.00 0.13 C ATOM 23 C HIS A 3 31.641 4.717 -17.477 1.00 0.16 C ATOM 24 O HIS A 3 31.734 4.443 -16.281 1.00 0.31 O ATOM 25 CB HIS A 3 31.086 3.237 -19.431 1.00 0.26 C ATOM 26 CG HIS A 3 31.567 2.799 -20.784 1.00 0.54 C ATOM 27 ND1 HIS A 3 31.339 3.518 -21.936 1.00 1.06 N ATOM 28 CD2 HIS A 3 32.274 1.709 -21.161 1.00 1.49 C ATOM 29 CE1 HIS A 3 31.884 2.894 -22.959 1.00 1.02 C ATOM 30 NE2 HIS A 3 32.462 1.792 -22.520 1.00 1.41 N ATOM 0 H HIS A 3 32.348 2.095 -17.271 1.00 0.18 H new ATOM 0 HA HIS A 3 32.908 4.317 -19.157 1.00 0.13 H new ATOM 0 HB2 HIS A 3 30.600 2.396 -18.937 1.00 0.26 H new ATOM 0 HB3 HIS A 3 30.330 4.013 -19.556 1.00 0.26 H new ATOM 0 HD2 HIS A 3 32.626 0.919 -20.514 1.00 1.49 H new ATOM 0 HE1 HIS A 3 31.862 3.228 -23.986 1.00 1.02 H new ATOM 0 HE2 HIS A 3 32.965 1.115 -23.094 1.00 1.41 H new ATOM 39 N MET A 4 31.064 5.825 -17.921 1.00 0.20 N ATOM 40 CA MET A 4 30.489 6.811 -17.009 1.00 0.25 C ATOM 41 C MET A 4 29.166 6.311 -16.439 1.00 0.20 C ATOM 42 O MET A 4 28.101 6.555 -17.013 1.00 0.30 O ATOM 43 CB MET A 4 30.276 8.142 -17.732 1.00 0.37 C ATOM 44 CG MET A 4 31.560 8.743 -18.277 1.00 0.43 C ATOM 45 SD MET A 4 31.269 9.896 -19.633 1.00 0.28 S ATOM 46 CE MET A 4 32.935 10.072 -20.268 1.00 0.33 C ATOM 0 H MET A 4 30.980 6.066 -18.909 1.00 0.20 H new ATOM 0 HA MET A 4 31.187 6.962 -16.186 1.00 0.25 H new ATOM 0 HB2 MET A 4 29.576 7.993 -18.554 1.00 0.37 H new ATOM 0 HB3 MET A 4 29.815 8.851 -17.045 1.00 0.37 H new ATOM 0 HG2 MET A 4 32.084 9.259 -17.473 1.00 0.43 H new ATOM 0 HG3 MET A 4 32.214 7.942 -18.621 1.00 0.43 H new ATOM 0 HE1 MET A 4 32.931 10.757 -21.116 1.00 0.33 H new ATOM 0 HE2 MET A 4 33.583 10.467 -19.485 1.00 0.33 H new ATOM 0 HE3 MET A 4 33.306 9.099 -20.590 1.00 0.33 H new ATOM 56 N THR A 5 29.242 5.608 -15.317 1.00 0.32 N ATOM 57 CA THR A 5 28.064 5.056 -14.663 1.00 0.34 C ATOM 58 C THR A 5 27.299 6.119 -13.882 1.00 0.34 C ATOM 59 O THR A 5 27.848 7.166 -13.527 1.00 0.37 O ATOM 60 CB THR A 5 28.473 3.921 -13.706 1.00 0.36 C ATOM 61 OG1 THR A 5 29.786 4.175 -13.180 1.00 0.33 O ATOM 62 CG2 THR A 5 28.467 2.586 -14.427 1.00 0.54 C ATOM 0 H THR A 5 30.118 5.405 -14.836 1.00 0.32 H new ATOM 0 HA THR A 5 27.410 4.669 -15.444 1.00 0.34 H new ATOM 0 HB THR A 5 27.753 3.883 -12.889 1.00 0.36 H new ATOM 0 HG1 THR A 5 30.040 3.451 -12.571 1.00 0.33 H new ATOM 0 HG21 THR A 5 28.759 1.797 -13.734 1.00 0.54 H new ATOM 0 HG22 THR A 5 27.466 2.383 -14.808 1.00 0.54 H new ATOM 0 HG23 THR A 5 29.172 2.618 -15.258 1.00 0.54 H new ATOM 70 N GLU A 6 26.032 5.843 -13.627 1.00 0.35 N ATOM 71 CA GLU A 6 25.180 6.753 -12.879 1.00 0.39 C ATOM 72 C GLU A 6 24.716 6.091 -11.592 1.00 0.32 C ATOM 73 O GLU A 6 25.042 4.934 -11.330 1.00 0.30 O ATOM 74 CB GLU A 6 23.966 7.156 -13.717 1.00 0.52 C ATOM 75 CG GLU A 6 24.153 8.457 -14.475 1.00 0.53 C ATOM 76 CD GLU A 6 24.325 9.650 -13.556 1.00 1.16 C ATOM 77 OE1 GLU A 6 23.498 9.823 -12.633 1.00 1.64 O ATOM 78 OE2 GLU A 6 25.278 10.430 -13.763 1.00 1.31 O1- ATOM 0 H GLU A 6 25.566 4.988 -13.930 1.00 0.35 H new ATOM 0 HA GLU A 6 25.755 7.647 -12.637 1.00 0.39 H new ATOM 0 HB2 GLU A 6 23.746 6.360 -14.428 1.00 0.52 H new ATOM 0 HB3 GLU A 6 23.099 7.248 -13.063 1.00 0.52 H new ATOM 0 HG2 GLU A 6 25.026 8.373 -15.122 1.00 0.53 H new ATOM 0 HG3 GLU A 6 23.291 8.623 -15.122 1.00 0.53 H new ATOM 85 N GLN A 7 23.960 6.823 -10.788 1.00 0.30 N ATOM 86 CA GLN A 7 23.441 6.286 -9.538 1.00 0.25 C ATOM 87 C GLN A 7 21.915 6.270 -9.574 1.00 0.23 C ATOM 88 O GLN A 7 21.265 7.201 -9.088 1.00 0.29 O ATOM 89 CB GLN A 7 23.924 7.108 -8.335 1.00 0.29 C ATOM 90 CG GLN A 7 25.414 7.419 -8.347 1.00 0.42 C ATOM 91 CD GLN A 7 26.285 6.182 -8.478 1.00 1.19 C ATOM 92 OE1 GLN A 7 25.926 5.093 -8.021 1.00 1.46 O ATOM 93 NE2 GLN A 7 27.441 6.344 -9.101 1.00 1.77 N ATOM 0 H GLN A 7 23.692 7.789 -10.978 1.00 0.30 H new ATOM 0 HA GLN A 7 23.815 5.268 -9.426 1.00 0.25 H new ATOM 0 HB2 GLN A 7 23.369 8.046 -8.304 1.00 0.29 H new ATOM 0 HB3 GLN A 7 23.685 6.566 -7.420 1.00 0.29 H new ATOM 0 HG2 GLN A 7 25.630 8.096 -9.173 1.00 0.42 H new ATOM 0 HG3 GLN A 7 25.676 7.944 -7.428 1.00 0.42 H new ATOM 0 HE21 GLN A 7 27.700 7.261 -9.464 1.00 1.77 H new ATOM 0 HE22 GLN A 7 28.073 5.552 -9.218 1.00 1.77 H new ATOM 102 N PRO A 8 21.322 5.231 -10.175 1.00 0.18 N ATOM 103 CA PRO A 8 19.870 5.102 -10.274 1.00 0.17 C ATOM 104 C PRO A 8 19.261 4.561 -8.983 1.00 0.19 C ATOM 105 O PRO A 8 19.963 4.400 -7.982 1.00 0.25 O ATOM 106 CB PRO A 8 19.699 4.107 -11.424 1.00 0.18 C ATOM 107 CG PRO A 8 20.903 3.234 -11.340 1.00 0.20 C ATOM 108 CD PRO A 8 22.017 4.093 -10.805 1.00 0.18 C ATOM 0 HA PRO A 8 19.368 6.055 -10.442 1.00 0.17 H new ATOM 0 HB2 PRO A 8 18.781 3.529 -11.317 1.00 0.18 H new ATOM 0 HB3 PRO A 8 19.644 4.617 -12.386 1.00 0.18 H new ATOM 0 HG2 PRO A 8 20.720 2.383 -10.684 1.00 0.20 H new ATOM 0 HG3 PRO A 8 21.160 2.832 -12.320 1.00 0.20 H new ATOM 0 HD2 PRO A 8 22.628 3.550 -10.084 1.00 0.18 H new ATOM 0 HD3 PRO A 8 22.683 4.424 -11.602 1.00 0.18 H new ATOM 116 N LYS A 9 17.958 4.289 -9.005 1.00 0.17 N ATOM 117 CA LYS A 9 17.270 3.759 -7.836 1.00 0.20 C ATOM 118 C LYS A 9 17.963 2.494 -7.333 1.00 0.23 C ATOM 119 O LYS A 9 18.191 1.553 -8.097 1.00 0.30 O ATOM 120 CB LYS A 9 15.806 3.464 -8.176 1.00 0.14 C ATOM 121 CG LYS A 9 15.026 4.692 -8.619 1.00 0.33 C ATOM 122 CD LYS A 9 14.271 4.450 -9.917 1.00 0.76 C ATOM 123 CE LYS A 9 13.073 3.532 -9.715 1.00 1.45 C ATOM 124 NZ LYS A 9 12.246 3.418 -10.945 1.00 2.23 N1+ ATOM 0 H LYS A 9 17.360 4.428 -9.820 1.00 0.17 H new ATOM 0 HA LYS A 9 17.304 4.507 -7.044 1.00 0.20 H new ATOM 0 HB2 LYS A 9 15.769 2.715 -8.967 1.00 0.14 H new ATOM 0 HB3 LYS A 9 15.319 3.030 -7.303 1.00 0.14 H new ATOM 0 HG2 LYS A 9 14.321 4.975 -7.837 1.00 0.33 H new ATOM 0 HG3 LYS A 9 15.711 5.529 -8.749 1.00 0.33 H new ATOM 0 HD2 LYS A 9 13.933 5.403 -10.324 1.00 0.76 H new ATOM 0 HD3 LYS A 9 14.945 4.011 -10.652 1.00 0.76 H new ATOM 0 HE2 LYS A 9 13.420 2.542 -9.419 1.00 1.45 H new ATOM 0 HE3 LYS A 9 12.459 3.912 -8.899 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 11.441 2.784 -10.765 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 11.893 4.358 -11.214 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 12.825 3.031 -11.718 1.00 2.23 H new ATOM 138 N THR A 10 18.305 2.483 -6.054 1.00 0.30 N ATOM 139 CA THR A 10 18.984 1.348 -5.462 1.00 0.36 C ATOM 140 C THR A 10 17.971 0.370 -4.873 1.00 0.30 C ATOM 141 O THR A 10 16.778 0.669 -4.796 1.00 0.27 O ATOM 142 CB THR A 10 19.991 1.807 -4.375 1.00 0.49 C ATOM 143 OG1 THR A 10 20.972 0.789 -4.143 1.00 0.62 O ATOM 144 CG2 THR A 10 19.292 2.153 -3.067 1.00 0.60 C ATOM 0 H THR A 10 18.122 3.250 -5.407 1.00 0.30 H new ATOM 0 HA THR A 10 19.544 0.840 -6.247 1.00 0.36 H new ATOM 0 HB THR A 10 20.480 2.708 -4.745 1.00 0.49 H new ATOM 0 HG1 THR A 10 21.602 1.092 -3.456 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.032 2.470 -2.332 1.00 0.60 H new ATOM 0 HG22 THR A 10 18.581 2.961 -3.237 1.00 0.60 H new ATOM 0 HG23 THR A 10 18.763 1.276 -2.694 1.00 0.60 H new ATOM 152 N ARG A 11 18.446 -0.799 -4.476 1.00 0.30 N ATOM 153 CA ARG A 11 17.590 -1.816 -3.895 1.00 0.26 C ATOM 154 C ARG A 11 18.017 -2.093 -2.459 1.00 0.21 C ATOM 155 O ARG A 11 19.200 -2.014 -2.133 1.00 0.22 O ATOM 156 CB ARG A 11 17.646 -3.102 -4.725 1.00 0.32 C ATOM 157 CG ARG A 11 17.048 -2.961 -6.118 1.00 0.40 C ATOM 158 CD ARG A 11 17.124 -4.266 -6.897 1.00 0.55 C ATOM 159 NE ARG A 11 18.500 -4.604 -7.272 1.00 0.68 N ATOM 160 CZ ARG A 11 18.931 -5.846 -7.497 1.00 1.07 C ATOM 161 NH1 ARG A 11 18.102 -6.876 -7.376 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 20.195 -6.056 -7.842 1.00 1.17 N ATOM 0 H ARG A 11 19.428 -1.067 -4.547 1.00 0.30 H new ATOM 0 HA ARG A 11 16.562 -1.453 -3.895 1.00 0.26 H new ATOM 0 HB2 ARG A 11 18.685 -3.420 -4.816 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.117 -3.891 -4.191 1.00 0.32 H new ATOM 0 HG2 ARG A 11 16.008 -2.645 -6.037 1.00 0.40 H new ATOM 0 HG3 ARG A 11 17.577 -2.180 -6.664 1.00 0.40 H new ATOM 0 HD2 ARG A 11 16.704 -5.072 -6.295 1.00 0.55 H new ATOM 0 HD3 ARG A 11 16.512 -4.187 -7.796 1.00 0.55 H new ATOM 0 HE ARG A 11 19.170 -3.841 -7.367 1.00 0.68 H new ATOM 0 HH11 ARG A 11 17.130 -6.720 -7.110 1.00 1.36 H new ATOM 0 HH12 ARG A 11 18.437 -7.824 -7.549 1.00 1.36 H new ATOM 0 HH21 ARG A 11 20.836 -5.268 -7.935 1.00 1.17 H new ATOM 0 HH22 ARG A 11 20.526 -7.005 -8.014 1.00 1.17 H new ATOM 176 N VAL A 12 17.055 -2.416 -1.609 1.00 0.16 N ATOM 177 CA VAL A 12 17.340 -2.687 -0.211 1.00 0.12 C ATOM 178 C VAL A 12 16.757 -4.032 0.218 1.00 0.14 C ATOM 179 O VAL A 12 15.721 -4.471 -0.290 1.00 0.18 O ATOM 180 CB VAL A 12 16.793 -1.560 0.697 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.270 -1.549 0.708 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.339 -1.679 2.110 1.00 0.12 C ATOM 0 H VAL A 12 16.071 -2.497 -1.864 1.00 0.16 H new ATOM 0 HA VAL A 12 18.424 -2.727 -0.101 1.00 0.12 H new ATOM 0 HB VAL A 12 17.134 -0.612 0.281 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.917 -0.746 1.355 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.900 -1.389 -0.305 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.902 -2.505 1.082 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.937 -0.873 2.724 1.00 0.12 H new ATOM 0 HG22 VAL A 12 17.046 -2.640 2.534 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.427 -1.609 2.087 1.00 0.12 H new ATOM 192 N SER A 13 17.457 -4.696 1.124 1.00 0.14 N ATOM 193 CA SER A 13 17.022 -5.978 1.639 1.00 0.17 C ATOM 194 C SER A 13 16.339 -5.800 2.995 1.00 0.12 C ATOM 195 O SER A 13 16.947 -5.303 3.942 1.00 0.15 O ATOM 196 CB SER A 13 18.222 -6.916 1.767 1.00 0.25 C ATOM 197 OG SER A 13 19.441 -6.185 1.807 1.00 0.56 O ATOM 0 H SER A 13 18.336 -4.362 1.519 1.00 0.14 H new ATOM 0 HA SER A 13 16.303 -6.415 0.946 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.124 -7.516 2.672 1.00 0.25 H new ATOM 0 HB3 SER A 13 18.237 -7.609 0.926 1.00 0.25 H new ATOM 0 HG SER A 13 20.193 -6.808 1.891 1.00 0.56 H new ATOM 203 N VAL A 14 15.076 -6.193 3.082 1.00 0.06 N ATOM 204 CA VAL A 14 14.324 -6.069 4.327 1.00 0.08 C ATOM 205 C VAL A 14 13.728 -7.413 4.728 1.00 0.08 C ATOM 206 O VAL A 14 13.679 -8.335 3.920 1.00 0.12 O ATOM 207 CB VAL A 14 13.193 -5.019 4.223 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.770 -3.608 4.153 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.305 -5.294 3.017 1.00 0.09 C ATOM 0 H VAL A 14 14.550 -6.600 2.309 1.00 0.06 H new ATOM 0 HA VAL A 14 15.028 -5.735 5.089 1.00 0.08 H new ATOM 0 HB VAL A 14 12.580 -5.095 5.121 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.957 -2.886 4.080 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.353 -3.408 5.052 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.412 -3.521 3.277 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.518 -4.542 2.966 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.904 -5.254 2.107 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.857 -6.283 3.113 1.00 0.09 H new ATOM 219 N ARG A 15 13.277 -7.518 5.965 1.00 0.05 N ATOM 220 CA ARG A 15 12.692 -8.757 6.460 1.00 0.05 C ATOM 221 C ARG A 15 11.251 -8.527 6.908 1.00 0.04 C ATOM 222 O ARG A 15 10.988 -7.678 7.759 1.00 0.07 O ATOM 223 CB ARG A 15 13.535 -9.314 7.609 1.00 0.06 C ATOM 224 CG ARG A 15 12.991 -10.602 8.209 1.00 0.06 C ATOM 225 CD ARG A 15 14.024 -11.286 9.094 1.00 0.11 C ATOM 226 NE ARG A 15 14.640 -10.351 10.039 1.00 0.16 N ATOM 227 CZ ARG A 15 15.955 -10.150 10.144 1.00 0.20 C ATOM 228 NH1 ARG A 15 16.803 -10.838 9.387 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 16.420 -9.259 11.008 1.00 0.26 N ATOM 0 H ARG A 15 13.303 -6.761 6.648 1.00 0.05 H new ATOM 0 HA ARG A 15 12.682 -9.488 5.652 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.548 -9.493 7.249 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.604 -8.561 8.394 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.097 -10.383 8.794 1.00 0.06 H new ATOM 0 HG3 ARG A 15 12.691 -11.279 7.409 1.00 0.06 H new ATOM 0 HD2 ARG A 15 13.549 -12.098 9.644 1.00 0.11 H new ATOM 0 HD3 ARG A 15 14.798 -11.733 8.470 1.00 0.11 H new ATOM 0 HE ARG A 15 14.025 -9.820 10.656 1.00 0.16 H new ATOM 0 HH11 ARG A 15 16.450 -11.525 8.721 1.00 0.20 H new ATOM 0 HH12 ARG A 15 17.807 -10.679 9.472 1.00 0.20 H new ATOM 0 HH21 ARG A 15 15.773 -8.728 11.591 1.00 0.26 H new ATOM 0 HH22 ARG A 15 17.425 -9.104 11.090 1.00 0.26 H new ATOM 243 N ILE A 16 10.321 -9.279 6.325 1.00 0.03 N ATOM 244 CA ILE A 16 8.908 -9.156 6.654 1.00 0.04 C ATOM 245 C ILE A 16 8.291 -10.540 6.835 1.00 0.04 C ATOM 246 O ILE A 16 8.481 -11.423 5.995 1.00 0.04 O ATOM 247 CB ILE A 16 8.126 -8.399 5.555 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.952 -7.235 5.002 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.808 -7.882 6.108 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.487 -6.752 3.648 1.00 0.07 C ATOM 0 H ILE A 16 10.525 -9.985 5.617 1.00 0.03 H new ATOM 0 HA ILE A 16 8.839 -8.587 7.581 1.00 0.04 H new ATOM 0 HB ILE A 16 7.923 -9.096 4.742 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.913 -6.405 5.708 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.995 -7.543 4.930 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.268 -7.351 5.324 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.207 -8.721 6.459 1.00 0.06 H new ATOM 0 HG23 ILE A 16 7.003 -7.203 6.938 1.00 0.06 H new ATOM 0 HD11 ILE A 16 9.119 -5.927 3.320 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.553 -7.568 2.928 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.454 -6.413 3.718 1.00 0.07 H new ATOM 262 N TYR A 17 7.575 -10.719 7.942 1.00 0.08 N ATOM 263 CA TYR A 17 6.913 -11.982 8.267 1.00 0.11 C ATOM 264 C TYR A 17 7.927 -13.121 8.401 1.00 0.19 C ATOM 265 O TYR A 17 7.608 -14.285 8.152 1.00 0.56 O ATOM 266 CB TYR A 17 5.846 -12.328 7.221 1.00 0.04 C ATOM 267 CG TYR A 17 4.584 -12.927 7.812 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.821 -12.220 8.740 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.152 -14.198 7.444 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.671 -12.765 9.281 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.003 -14.745 7.982 1.00 0.12 C ATOM 272 CZ TYR A 17 2.268 -14.027 8.899 1.00 0.20 C ATOM 273 OH TYR A 17 1.128 -14.575 9.440 1.00 0.25 O ATOM 0 H TYR A 17 7.436 -9.990 8.642 1.00 0.08 H new ATOM 0 HA TYR A 17 6.418 -11.857 9.230 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.585 -11.425 6.669 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.269 -13.030 6.502 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.133 -11.231 9.041 1.00 0.18 H new ATOM 0 HD2 TYR A 17 4.725 -14.766 6.726 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.091 -12.205 9.999 1.00 0.23 H new ATOM 0 HE2 TYR A 17 2.682 -15.732 7.684 1.00 0.12 H new ATOM 0 HH TYR A 17 0.523 -13.858 9.722 1.00 0.25 H new ATOM 283 N GLY A 18 9.148 -12.780 8.792 1.00 0.18 N ATOM 284 CA GLY A 18 10.177 -13.791 8.967 1.00 0.13 C ATOM 285 C GLY A 18 11.103 -13.929 7.773 1.00 0.05 C ATOM 286 O GLY A 18 12.306 -14.131 7.939 1.00 0.11 O ATOM 0 H GLY A 18 9.445 -11.825 8.991 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.769 -13.546 9.849 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.701 -14.752 9.160 1.00 0.13 H new ATOM 290 N GLN A 19 10.559 -13.811 6.570 1.00 0.05 N ATOM 291 CA GLN A 19 11.364 -13.949 5.361 1.00 0.10 C ATOM 292 C GLN A 19 11.949 -12.610 4.925 1.00 0.05 C ATOM 293 O GLN A 19 11.389 -11.551 5.210 1.00 0.08 O ATOM 294 CB GLN A 19 10.536 -14.548 4.227 1.00 0.19 C ATOM 295 CG GLN A 19 10.184 -16.011 4.434 1.00 0.14 C ATOM 296 CD GLN A 19 8.728 -16.225 4.808 1.00 0.49 C ATOM 297 OE1 GLN A 19 8.402 -17.129 5.574 1.00 0.68 O ATOM 298 NE2 GLN A 19 7.840 -15.413 4.255 1.00 0.67 N ATOM 0 H GLN A 19 9.571 -13.621 6.404 1.00 0.05 H new ATOM 0 HA GLN A 19 12.189 -14.623 5.593 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.616 -13.974 4.119 1.00 0.19 H new ATOM 0 HB3 GLN A 19 11.088 -14.445 3.293 1.00 0.19 H new ATOM 0 HG2 GLN A 19 10.404 -16.564 3.521 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.819 -16.424 5.218 1.00 0.14 H new ATOM 0 HE21 GLN A 19 8.149 -14.674 3.624 1.00 0.67 H new ATOM 0 HE22 GLN A 19 6.847 -15.527 4.460 1.00 0.67 H new ATOM 307 N ASP A 20 13.075 -12.667 4.233 1.00 0.12 N ATOM 308 CA ASP A 20 13.738 -11.465 3.747 1.00 0.10 C ATOM 309 C ASP A 20 13.418 -11.257 2.273 1.00 0.09 C ATOM 310 O ASP A 20 13.239 -12.217 1.528 1.00 0.10 O ATOM 311 CB ASP A 20 15.254 -11.550 3.964 1.00 0.17 C ATOM 312 CG ASP A 20 15.946 -12.470 2.976 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.926 -13.706 3.187 1.00 0.55 O ATOM 314 OD2 ASP A 20 16.525 -11.968 1.993 1.00 0.49 O1- ATOM 0 H ASP A 20 13.552 -13.536 3.994 1.00 0.12 H new ATOM 0 HA ASP A 20 13.367 -10.610 4.313 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.683 -10.551 3.883 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.451 -11.901 4.977 1.00 0.17 H new ATOM 319 N TYR A 21 13.326 -10.000 1.864 1.00 0.07 N ATOM 320 CA TYR A 21 13.009 -9.658 0.485 1.00 0.07 C ATOM 321 C TYR A 21 13.864 -8.497 0.004 1.00 0.07 C ATOM 322 O TYR A 21 14.444 -7.764 0.805 1.00 0.16 O ATOM 323 CB TYR A 21 11.528 -9.284 0.349 1.00 0.05 C ATOM 324 CG TYR A 21 10.579 -10.303 0.935 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.332 -11.506 0.283 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.940 -10.068 2.144 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.476 -12.444 0.822 1.00 0.17 C ATOM 328 CE2 TYR A 21 9.085 -11.005 2.690 1.00 0.08 C ATOM 329 CZ TYR A 21 8.855 -12.190 2.027 1.00 0.12 C ATOM 330 OH TYR A 21 8.001 -13.125 2.571 1.00 0.15 O ATOM 0 H TYR A 21 13.468 -9.194 2.473 1.00 0.07 H new ATOM 0 HA TYR A 21 13.219 -10.534 -0.129 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.360 -8.324 0.837 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.294 -9.150 -0.707 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.818 -11.709 -0.660 1.00 0.15 H new ATOM 0 HD2 TYR A 21 10.114 -9.139 2.666 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.293 -13.373 0.303 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.598 -10.809 3.634 1.00 0.08 H new ATOM 0 HH TYR A 21 7.649 -12.790 3.422 1.00 0.15 H new ATOM 340 N THR A 22 13.932 -8.333 -1.306 1.00 0.19 N ATOM 341 CA THR A 22 14.692 -7.257 -1.904 1.00 0.20 C ATOM 342 C THR A 22 13.762 -6.342 -2.691 1.00 0.21 C ATOM 343 O THR A 22 13.152 -6.763 -3.676 1.00 0.38 O ATOM 344 CB THR A 22 15.789 -7.805 -2.837 1.00 0.25 C ATOM 345 OG1 THR A 22 16.319 -9.019 -2.293 1.00 0.19 O ATOM 346 CG2 THR A 22 16.912 -6.794 -3.010 1.00 0.32 C ATOM 0 H THR A 22 13.464 -8.940 -1.979 1.00 0.19 H new ATOM 0 HA THR A 22 15.171 -6.693 -1.103 1.00 0.20 H new ATOM 0 HB THR A 22 15.345 -7.998 -3.813 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.015 -9.368 -2.888 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.673 -7.206 -3.673 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.512 -5.877 -3.442 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.357 -6.574 -2.039 1.00 0.32 H new ATOM 354 N ILE A 23 13.641 -5.103 -2.243 1.00 0.16 N ATOM 355 CA ILE A 23 12.775 -4.134 -2.898 1.00 0.16 C ATOM 356 C ILE A 23 13.557 -2.899 -3.303 1.00 0.15 C ATOM 357 O ILE A 23 14.741 -2.780 -2.995 1.00 0.13 O ATOM 358 CB ILE A 23 11.591 -3.716 -1.995 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.093 -3.310 -0.603 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.578 -4.847 -1.900 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.014 -2.736 0.289 1.00 0.06 C ATOM 0 H ILE A 23 14.133 -4.743 -1.425 1.00 0.16 H new ATOM 0 HA ILE A 23 12.375 -4.620 -3.788 1.00 0.16 H new ATOM 0 HB ILE A 23 11.098 -2.852 -2.440 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.530 -4.182 -0.115 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.890 -2.574 -0.714 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.749 -4.541 -1.262 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.201 -5.083 -2.895 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.056 -5.729 -1.475 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.443 -2.472 1.256 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.593 -1.845 -0.177 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.227 -3.477 0.431 1.00 0.06 H new ATOM 373 N VAL A 24 12.896 -1.982 -3.991 1.00 0.16 N ATOM 374 CA VAL A 24 13.546 -0.764 -4.438 1.00 0.15 C ATOM 375 C VAL A 24 13.543 0.286 -3.326 1.00 0.15 C ATOM 376 O VAL A 24 12.528 0.508 -2.662 1.00 0.15 O ATOM 377 CB VAL A 24 12.883 -0.203 -5.726 1.00 0.17 C ATOM 378 CG1 VAL A 24 11.494 0.363 -5.454 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.773 0.847 -6.374 1.00 0.18 C ATOM 0 H VAL A 24 11.913 -2.059 -4.251 1.00 0.16 H new ATOM 0 HA VAL A 24 14.580 -1.010 -4.681 1.00 0.15 H new ATOM 0 HB VAL A 24 12.763 -1.036 -6.418 1.00 0.17 H new ATOM 0 HG11 VAL A 24 11.068 0.744 -6.382 1.00 0.17 H new ATOM 0 HG12 VAL A 24 10.852 -0.423 -5.056 1.00 0.17 H new ATOM 0 HG13 VAL A 24 11.567 1.173 -4.729 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.291 1.227 -7.274 1.00 0.18 H new ATOM 0 HG22 VAL A 24 13.936 1.668 -5.675 1.00 0.18 H new ATOM 0 HG23 VAL A 24 14.731 0.399 -6.637 1.00 0.18 H new ATOM 389 N GLY A 25 14.692 0.908 -3.111 1.00 0.14 N ATOM 390 CA GLY A 25 14.806 1.923 -2.089 1.00 0.13 C ATOM 391 C GLY A 25 14.689 3.310 -2.672 1.00 0.11 C ATOM 392 O GLY A 25 15.614 4.113 -2.579 1.00 0.08 O ATOM 0 H GLY A 25 15.551 0.726 -3.630 1.00 0.14 H new ATOM 0 HA2 GLY A 25 14.028 1.775 -1.340 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.764 1.821 -1.579 1.00 0.13 H new ATOM 396 N ALA A 26 13.551 3.589 -3.289 1.00 0.15 N ATOM 397 CA ALA A 26 13.316 4.885 -3.897 1.00 0.17 C ATOM 398 C ALA A 26 12.777 5.870 -2.869 1.00 0.12 C ATOM 399 O ALA A 26 11.623 6.298 -2.947 1.00 0.19 O ATOM 400 CB ALA A 26 12.363 4.751 -5.073 1.00 0.27 C ATOM 0 H ALA A 26 12.776 2.932 -3.381 1.00 0.15 H new ATOM 0 HA ALA A 26 14.265 5.272 -4.268 1.00 0.17 H new ATOM 0 HB1 ALA A 26 12.196 5.731 -5.519 1.00 0.27 H new ATOM 0 HB2 ALA A 26 12.795 4.082 -5.817 1.00 0.27 H new ATOM 0 HB3 ALA A 26 11.413 4.343 -4.727 1.00 0.27 H new ATOM 406 N GLU A 27 13.622 6.195 -1.899 1.00 0.11 N ATOM 407 CA GLU A 27 13.299 7.125 -0.824 1.00 0.05 C ATOM 408 C GLU A 27 14.516 7.233 0.092 1.00 0.10 C ATOM 409 O GLU A 27 15.594 6.744 -0.255 1.00 0.20 O ATOM 410 CB GLU A 27 12.073 6.652 -0.029 1.00 0.11 C ATOM 411 CG GLU A 27 10.950 7.681 0.056 1.00 0.78 C ATOM 412 CD GLU A 27 11.349 8.955 0.785 1.00 1.22 C ATOM 413 OE1 GLU A 27 11.970 8.857 1.865 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 11.042 10.057 0.277 1.00 1.46 O ATOM 0 H GLU A 27 14.566 5.814 -1.836 1.00 0.11 H new ATOM 0 HA GLU A 27 13.054 8.099 -1.247 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.684 5.743 -0.488 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.388 6.389 0.981 1.00 0.11 H new ATOM 0 HG2 GLU A 27 10.624 7.936 -0.952 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.096 7.234 0.564 1.00 0.78 H new ATOM 421 N SER A 28 14.353 7.857 1.245 1.00 0.11 N ATOM 422 CA SER A 28 15.449 7.997 2.186 1.00 0.17 C ATOM 423 C SER A 28 15.788 6.630 2.793 1.00 0.18 C ATOM 424 O SER A 28 14.889 5.866 3.151 1.00 0.15 O ATOM 425 CB SER A 28 15.077 9.004 3.273 1.00 0.18 C ATOM 426 OG SER A 28 14.209 10.002 2.760 1.00 0.26 O ATOM 0 H SER A 28 13.474 8.274 1.551 1.00 0.11 H new ATOM 0 HA SER A 28 16.331 8.370 1.665 1.00 0.17 H new ATOM 0 HB2 SER A 28 14.595 8.488 4.103 1.00 0.18 H new ATOM 0 HB3 SER A 28 15.980 9.469 3.668 1.00 0.18 H new ATOM 0 HG SER A 28 13.287 9.671 2.773 1.00 0.26 H new ATOM 432 N PRO A 29 17.090 6.309 2.909 1.00 0.23 N ATOM 433 CA PRO A 29 17.570 5.021 3.443 1.00 0.26 C ATOM 434 C PRO A 29 16.974 4.645 4.802 1.00 0.28 C ATOM 435 O PRO A 29 16.787 3.463 5.093 1.00 0.34 O ATOM 436 CB PRO A 29 19.089 5.209 3.563 1.00 0.31 C ATOM 437 CG PRO A 29 19.338 6.667 3.352 1.00 0.31 C ATOM 438 CD PRO A 29 18.205 7.174 2.511 1.00 0.25 C ATOM 0 HA PRO A 29 17.271 4.204 2.786 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.446 4.889 4.542 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.617 4.611 2.820 1.00 0.31 H new ATOM 0 HG2 PRO A 29 19.381 7.195 4.304 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.294 6.829 2.854 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.993 8.224 2.710 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.422 7.089 1.446 1.00 0.25 H new ATOM 446 N ALA A 30 16.684 5.634 5.635 1.00 0.27 N ATOM 447 CA ALA A 30 16.113 5.370 6.952 1.00 0.30 C ATOM 448 C ALA A 30 14.591 5.273 6.883 1.00 0.18 C ATOM 449 O ALA A 30 13.954 4.649 7.734 1.00 0.15 O ATOM 450 CB ALA A 30 16.528 6.447 7.943 1.00 0.41 C ATOM 0 H ALA A 30 16.833 6.621 5.426 1.00 0.27 H new ATOM 0 HA ALA A 30 16.500 4.411 7.296 1.00 0.30 H new ATOM 0 HB1 ALA A 30 16.092 6.231 8.918 1.00 0.41 H new ATOM 0 HB2 ALA A 30 17.615 6.465 8.027 1.00 0.41 H new ATOM 0 HB3 ALA A 30 16.175 7.418 7.594 1.00 0.41 H new ATOM 456 N HIS A 31 14.019 5.876 5.850 1.00 0.13 N ATOM 457 CA HIS A 31 12.568 5.879 5.661 1.00 0.10 C ATOM 458 C HIS A 31 12.081 4.518 5.178 1.00 0.09 C ATOM 459 O HIS A 31 11.000 4.065 5.554 1.00 0.19 O ATOM 460 CB HIS A 31 12.175 6.948 4.639 1.00 0.21 C ATOM 461 CG HIS A 31 10.898 7.671 4.950 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.779 7.055 5.476 1.00 0.28 N ATOM 463 CD2 HIS A 31 10.571 8.976 4.807 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.825 7.954 5.647 1.00 0.41 C ATOM 465 NE2 HIS A 31 9.282 9.122 5.249 1.00 0.32 N ATOM 0 H HIS A 31 14.537 6.372 5.125 1.00 0.13 H new ATOM 0 HA HIS A 31 12.102 6.100 6.621 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.982 7.677 4.568 1.00 0.21 H new ATOM 0 HB3 HIS A 31 12.082 6.479 3.660 1.00 0.21 H new ATOM 0 HD2 HIS A 31 11.207 9.757 4.417 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.839 7.763 6.045 1.00 0.41 H new ATOM 0 HE2 HIS A 31 8.759 9.998 5.267 1.00 0.32 H new ATOM 474 N ILE A 32 12.894 3.871 4.352 1.00 0.08 N ATOM 475 CA ILE A 32 12.558 2.560 3.795 1.00 0.20 C ATOM 476 C ILE A 32 12.745 1.440 4.816 1.00 0.27 C ATOM 477 O ILE A 32 12.525 0.268 4.514 1.00 0.36 O ATOM 478 CB ILE A 32 13.391 2.253 2.526 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.884 2.076 2.872 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.189 3.360 1.497 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.776 1.835 1.673 1.00 0.30 C ATOM 0 H ILE A 32 13.798 4.234 4.049 1.00 0.08 H new ATOM 0 HA ILE A 32 11.503 2.603 3.523 1.00 0.20 H new ATOM 0 HB ILE A 32 13.045 1.312 2.097 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.232 2.966 3.396 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.988 1.239 3.562 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.777 3.140 0.606 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.134 3.420 1.230 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.512 4.312 1.919 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.808 1.722 2.004 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.458 0.928 1.159 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.705 2.682 0.991 1.00 0.30 H new ATOM 493 N ARG A 33 13.132 1.803 6.029 1.00 0.25 N ATOM 494 CA ARG A 33 13.337 0.825 7.086 1.00 0.32 C ATOM 495 C ARG A 33 12.036 0.572 7.841 1.00 0.34 C ATOM 496 O ARG A 33 11.752 -0.550 8.255 1.00 0.57 O ATOM 497 CB ARG A 33 14.412 1.306 8.060 1.00 0.34 C ATOM 498 CG ARG A 33 15.738 1.619 7.392 1.00 0.38 C ATOM 499 CD ARG A 33 16.462 0.358 6.959 1.00 0.37 C ATOM 500 NE ARG A 33 17.705 0.166 7.701 1.00 0.36 N ATOM 501 CZ ARG A 33 18.839 0.810 7.434 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.894 1.695 6.441 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 19.914 0.580 8.167 1.00 0.84 N ATOM 0 H ARG A 33 13.311 2.768 6.306 1.00 0.25 H new ATOM 0 HA ARG A 33 13.666 -0.107 6.626 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.053 2.198 8.573 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.569 0.542 8.821 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.566 2.256 6.524 1.00 0.38 H new ATOM 0 HG3 ARG A 33 16.368 2.182 8.081 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.812 -0.504 7.109 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.680 0.412 5.892 1.00 0.37 H new ATOM 0 HE ARG A 33 17.704 -0.503 8.471 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.064 1.883 5.879 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.766 2.185 6.242 1.00 1.01 H new ATOM 0 HH21 ARG A 33 19.874 -0.090 8.935 1.00 0.84 H new ATOM 0 HH22 ARG A 33 20.784 1.072 7.965 1.00 0.84 H new ATOM 517 N LEU A 34 11.239 1.622 7.995 1.00 0.14 N ATOM 518 CA LEU A 34 9.973 1.522 8.711 1.00 0.15 C ATOM 519 C LEU A 34 8.880 0.928 7.824 1.00 0.16 C ATOM 520 O LEU A 34 7.846 0.482 8.320 1.00 0.17 O ATOM 521 CB LEU A 34 9.547 2.897 9.244 1.00 0.13 C ATOM 522 CG LEU A 34 9.095 3.912 8.188 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.585 4.095 8.231 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.801 5.244 8.402 1.00 0.04 C ATOM 0 H LEU A 34 11.447 2.553 7.634 1.00 0.14 H new ATOM 0 HA LEU A 34 10.118 0.850 9.557 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.733 2.754 9.955 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.382 3.325 9.798 1.00 0.13 H new ATOM 0 HG LEU A 34 9.363 3.530 7.203 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.285 4.819 7.474 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.097 3.140 8.034 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.290 4.457 9.216 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.471 5.956 7.646 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.559 5.629 9.393 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.879 5.102 8.321 1.00 0.04 H new ATOM 536 N VAL A 35 9.117 0.919 6.517 1.00 0.16 N ATOM 537 CA VAL A 35 8.151 0.374 5.565 1.00 0.16 C ATOM 538 C VAL A 35 7.884 -1.100 5.856 1.00 0.13 C ATOM 539 O VAL A 35 6.735 -1.537 5.920 1.00 0.12 O ATOM 540 CB VAL A 35 8.654 0.510 4.112 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.571 0.105 3.124 1.00 0.18 C ATOM 542 CG2 VAL A 35 9.117 1.927 3.826 1.00 0.25 C ATOM 0 H VAL A 35 9.969 1.283 6.091 1.00 0.16 H new ATOM 0 HA VAL A 35 7.230 0.947 5.678 1.00 0.16 H new ATOM 0 HB VAL A 35 9.504 -0.162 3.992 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.949 0.209 2.107 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.287 -0.932 3.301 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.700 0.747 3.255 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.466 1.995 2.796 1.00 0.25 H new ATOM 0 HG22 VAL A 35 8.287 2.618 3.974 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.931 2.187 4.503 1.00 0.25 H new ATOM 552 N ALA A 36 8.964 -1.848 6.052 1.00 0.14 N ATOM 553 CA ALA A 36 8.875 -3.278 6.338 1.00 0.15 C ATOM 554 C ALA A 36 8.087 -3.552 7.618 1.00 0.12 C ATOM 555 O ALA A 36 7.197 -4.399 7.636 1.00 0.11 O ATOM 556 CB ALA A 36 10.269 -3.876 6.442 1.00 0.18 C ATOM 0 H ALA A 36 9.917 -1.487 6.018 1.00 0.14 H new ATOM 0 HA ALA A 36 8.339 -3.749 5.514 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.193 -4.942 6.655 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.798 -3.731 5.500 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.817 -3.384 7.245 1.00 0.18 H new ATOM 562 N ALA A 37 8.405 -2.812 8.677 1.00 0.13 N ATOM 563 CA ALA A 37 7.741 -2.984 9.968 1.00 0.11 C ATOM 564 C ALA A 37 6.259 -2.621 9.890 1.00 0.14 C ATOM 565 O ALA A 37 5.427 -3.216 10.577 1.00 0.20 O ATOM 566 CB ALA A 37 8.438 -2.152 11.033 1.00 0.13 C ATOM 0 H ALA A 37 9.121 -2.085 8.667 1.00 0.13 H new ATOM 0 HA ALA A 37 7.808 -4.037 10.241 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.934 -2.289 11.990 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.477 -2.470 11.121 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.404 -1.099 10.752 1.00 0.13 H new ATOM 572 N PHE A 38 5.937 -1.648 9.044 1.00 0.15 N ATOM 573 CA PHE A 38 4.560 -1.204 8.867 1.00 0.21 C ATOM 574 C PHE A 38 3.687 -2.329 8.303 1.00 0.21 C ATOM 575 O PHE A 38 2.577 -2.572 8.784 1.00 0.28 O ATOM 576 CB PHE A 38 4.529 0.022 7.947 1.00 0.26 C ATOM 577 CG PHE A 38 3.167 0.364 7.412 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.124 0.669 8.272 1.00 0.41 C ATOM 579 CD2 PHE A 38 2.932 0.374 6.046 1.00 0.35 C ATOM 580 CE1 PHE A 38 0.869 0.979 7.777 1.00 0.50 C ATOM 581 CE2 PHE A 38 1.681 0.682 5.549 1.00 0.43 C ATOM 582 CZ PHE A 38 0.649 0.984 6.414 1.00 0.50 C ATOM 0 H PHE A 38 6.615 -1.150 8.468 1.00 0.15 H new ATOM 0 HA PHE A 38 4.153 -0.929 9.840 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.917 0.881 8.494 1.00 0.26 H new ATOM 0 HB3 PHE A 38 5.202 -0.152 7.108 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.292 0.665 9.339 1.00 0.41 H new ATOM 0 HD2 PHE A 38 3.735 0.139 5.364 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.063 1.217 8.456 1.00 0.50 H new ATOM 0 HE2 PHE A 38 1.510 0.687 4.483 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.330 1.224 6.025 1.00 0.50 H new ATOM 592 N VAL A 39 4.200 -3.019 7.295 1.00 0.16 N ATOM 593 CA VAL A 39 3.468 -4.110 6.662 1.00 0.17 C ATOM 594 C VAL A 39 3.481 -5.357 7.540 1.00 0.16 C ATOM 595 O VAL A 39 2.483 -6.079 7.628 1.00 0.18 O ATOM 596 CB VAL A 39 4.058 -4.440 5.276 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.248 -5.526 4.587 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.109 -3.187 4.419 1.00 0.15 C ATOM 0 H VAL A 39 5.122 -2.843 6.896 1.00 0.16 H new ATOM 0 HA VAL A 39 2.436 -3.782 6.534 1.00 0.17 H new ATOM 0 HB VAL A 39 5.073 -4.813 5.413 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.684 -5.741 3.611 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.258 -6.430 5.196 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.220 -5.187 4.458 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.527 -3.431 3.442 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.101 -2.791 4.294 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.735 -2.439 4.905 1.00 0.15 H new ATOM 608 N ASP A 40 4.612 -5.593 8.196 1.00 0.12 N ATOM 609 CA ASP A 40 4.768 -6.747 9.080 1.00 0.11 C ATOM 610 C ASP A 40 3.707 -6.730 10.174 1.00 0.12 C ATOM 611 O ASP A 40 3.023 -7.728 10.408 1.00 0.13 O ATOM 612 CB ASP A 40 6.166 -6.750 9.712 1.00 0.09 C ATOM 613 CG ASP A 40 6.459 -8.023 10.487 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.940 -8.999 9.874 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.219 -8.051 11.711 1.00 1.14 O1- ATOM 0 H ASP A 40 5.439 -4.999 8.133 1.00 0.12 H new ATOM 0 HA ASP A 40 4.645 -7.652 8.485 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.914 -6.627 8.929 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.260 -5.894 10.380 1.00 0.09 H new ATOM 620 N ASP A 41 3.551 -5.575 10.806 1.00 0.12 N ATOM 621 CA ASP A 41 2.587 -5.404 11.885 1.00 0.13 C ATOM 622 C ASP A 41 1.159 -5.623 11.405 1.00 0.09 C ATOM 623 O ASP A 41 0.382 -6.334 12.046 1.00 0.07 O ATOM 624 CB ASP A 41 2.716 -4.007 12.490 1.00 0.16 C ATOM 625 CG ASP A 41 1.815 -3.809 13.689 1.00 0.13 C ATOM 626 OD1 ASP A 41 2.140 -4.346 14.771 1.00 0.22 O ATOM 627 OD2 ASP A 41 0.797 -3.099 13.564 1.00 0.12 O1- ATOM 0 H ASP A 41 4.086 -4.734 10.587 1.00 0.12 H new ATOM 0 HA ASP A 41 2.808 -6.155 12.644 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.751 -3.837 12.786 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.475 -3.262 11.731 1.00 0.16 H new ATOM 632 N LYS A 42 0.824 -5.034 10.263 1.00 0.10 N ATOM 633 CA LYS A 42 -0.520 -5.152 9.704 1.00 0.11 C ATOM 634 C LYS A 42 -0.878 -6.612 9.435 1.00 0.03 C ATOM 635 O LYS A 42 -2.011 -7.037 9.648 1.00 0.07 O ATOM 636 CB LYS A 42 -0.634 -4.326 8.420 1.00 0.19 C ATOM 637 CG LYS A 42 -2.057 -4.197 7.906 1.00 0.26 C ATOM 638 CD LYS A 42 -2.154 -3.158 6.804 1.00 0.28 C ATOM 639 CE LYS A 42 -2.186 -1.746 7.368 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.575 -1.274 7.610 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.464 -4.469 9.705 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.228 -4.763 10.436 1.00 0.11 H new ATOM 0 HB2 LYS A 42 -0.230 -3.330 8.601 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -0.017 -4.784 7.647 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -2.399 -5.161 7.530 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.719 -3.922 8.727 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.304 -3.262 6.129 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -3.053 -3.335 6.214 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -1.625 -1.716 8.302 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -1.688 -1.068 6.675 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -3.814 -0.530 6.923 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -4.236 -2.070 7.502 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -3.649 -0.891 8.574 1.00 0.38 H new ATOM 654 N MET A 43 0.092 -7.391 8.979 1.00 0.07 N ATOM 655 CA MET A 43 -0.149 -8.800 8.709 1.00 0.12 C ATOM 656 C MET A 43 -0.389 -9.560 10.007 1.00 0.16 C ATOM 657 O MET A 43 -1.160 -10.520 10.041 1.00 0.35 O ATOM 658 CB MET A 43 1.019 -9.417 7.945 1.00 0.18 C ATOM 659 CG MET A 43 0.903 -9.282 6.437 1.00 0.16 C ATOM 660 SD MET A 43 2.199 -10.178 5.566 1.00 0.26 S ATOM 661 CE MET A 43 3.658 -9.435 6.294 1.00 0.29 C ATOM 0 H MET A 43 1.043 -7.076 8.790 1.00 0.07 H new ATOM 0 HA MET A 43 -1.042 -8.875 8.089 1.00 0.12 H new ATOM 0 HB2 MET A 43 1.945 -8.945 8.273 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.091 -10.474 8.202 1.00 0.18 H new ATOM 0 HG2 MET A 43 -0.070 -9.653 6.116 1.00 0.16 H new ATOM 0 HG3 MET A 43 0.948 -8.228 6.165 1.00 0.16 H new ATOM 0 HE1 MET A 43 4.533 -9.692 5.698 1.00 0.29 H new ATOM 0 HE2 MET A 43 3.541 -8.352 6.318 1.00 0.29 H new ATOM 0 HE3 MET A 43 3.788 -9.809 7.310 1.00 0.29 H new ATOM 671 N HIS A 44 0.253 -9.107 11.079 1.00 0.02 N ATOM 672 CA HIS A 44 0.111 -9.738 12.385 1.00 0.04 C ATOM 673 C HIS A 44 -1.310 -9.573 12.911 1.00 0.05 C ATOM 674 O HIS A 44 -1.939 -10.545 13.325 1.00 0.20 O ATOM 675 CB HIS A 44 1.108 -9.149 13.392 1.00 0.08 C ATOM 676 CG HIS A 44 2.462 -9.791 13.352 1.00 0.11 C ATOM 677 ND1 HIS A 44 2.703 -11.064 13.818 1.00 0.27 N ATOM 678 CD2 HIS A 44 3.650 -9.327 12.898 1.00 0.29 C ATOM 679 CE1 HIS A 44 3.979 -11.358 13.652 1.00 0.38 C ATOM 680 NE2 HIS A 44 4.575 -10.319 13.100 1.00 0.40 N ATOM 0 H HIS A 44 0.879 -8.302 11.068 1.00 0.02 H new ATOM 0 HA HIS A 44 0.324 -10.800 12.264 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.217 -8.082 13.199 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.698 -9.251 14.397 1.00 0.08 H new ATOM 0 HD2 HIS A 44 3.835 -8.358 12.459 1.00 0.29 H new ATOM 0 HE1 HIS A 44 4.454 -12.290 13.922 1.00 0.38 H new ATOM 0 HE2 HIS A 44 5.565 -10.262 12.862 1.00 0.40 H new ATOM 689 N GLU A 45 -1.829 -8.348 12.855 1.00 0.16 N ATOM 690 CA GLU A 45 -3.179 -8.077 13.347 1.00 0.15 C ATOM 691 C GLU A 45 -4.229 -8.845 12.541 1.00 0.15 C ATOM 692 O GLU A 45 -5.251 -9.273 13.080 1.00 0.17 O ATOM 693 CB GLU A 45 -3.478 -6.571 13.339 1.00 0.12 C ATOM 694 CG GLU A 45 -3.633 -5.964 11.948 1.00 0.09 C ATOM 695 CD GLU A 45 -3.958 -4.485 11.988 1.00 0.12 C ATOM 696 OE1 GLU A 45 -3.013 -3.667 12.015 1.00 0.16 O ATOM 697 OE2 GLU A 45 -5.158 -4.133 11.999 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.342 -7.535 12.478 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.229 -8.426 14.378 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.393 -6.392 13.904 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.675 -6.051 13.861 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.711 -6.114 11.386 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.423 -6.491 11.412 1.00 0.09 H new ATOM 704 N PHE A 46 -3.965 -9.040 11.256 1.00 0.15 N ATOM 705 CA PHE A 46 -4.888 -9.765 10.396 1.00 0.14 C ATOM 706 C PHE A 46 -4.833 -11.267 10.666 1.00 0.16 C ATOM 707 O PHE A 46 -5.840 -11.968 10.528 1.00 0.17 O ATOM 708 CB PHE A 46 -4.588 -9.482 8.926 1.00 0.14 C ATOM 709 CG PHE A 46 -5.344 -8.308 8.382 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.697 -8.410 8.105 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.707 -7.104 8.146 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.398 -7.334 7.600 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.400 -6.023 7.645 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.748 -6.138 7.369 1.00 0.17 C ATOM 0 H PHE A 46 -3.122 -8.707 10.788 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.896 -9.416 10.623 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.519 -9.303 8.808 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.830 -10.366 8.336 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.210 -9.343 8.286 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.652 -7.009 8.357 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.452 -7.427 7.386 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.890 -5.088 7.469 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.293 -5.294 6.973 1.00 0.17 H new ATOM 724 N SER A 47 -3.664 -11.756 11.082 1.00 0.21 N ATOM 725 CA SER A 47 -3.483 -13.178 11.374 1.00 0.23 C ATOM 726 C SER A 47 -4.307 -13.595 12.592 1.00 0.21 C ATOM 727 O SER A 47 -4.575 -14.778 12.800 1.00 0.32 O ATOM 728 CB SER A 47 -1.996 -13.488 11.608 1.00 0.25 C ATOM 729 OG SER A 47 -1.214 -13.131 10.477 1.00 0.76 O ATOM 0 H SER A 47 -2.829 -11.188 11.224 1.00 0.21 H new ATOM 0 HA SER A 47 -3.833 -13.749 10.514 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.642 -12.945 12.484 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.872 -14.550 11.819 1.00 0.25 H new ATOM 0 HG SER A 47 -0.910 -12.204 10.569 1.00 0.76 H new ATOM 735 N GLU A 48 -4.722 -12.606 13.374 1.00 0.09 N ATOM 736 CA GLU A 48 -5.517 -12.848 14.569 1.00 0.08 C ATOM 737 C GLU A 48 -6.997 -13.027 14.218 1.00 0.10 C ATOM 738 O GLU A 48 -7.793 -13.484 15.038 1.00 0.07 O ATOM 739 CB GLU A 48 -5.353 -11.672 15.535 1.00 0.11 C ATOM 740 CG GLU A 48 -6.020 -11.880 16.887 1.00 0.06 C ATOM 741 CD GLU A 48 -6.545 -10.589 17.475 1.00 0.28 C ATOM 742 OE1 GLU A 48 -7.661 -10.168 17.100 1.00 0.61 O ATOM 743 OE2 GLU A 48 -5.852 -9.988 18.324 1.00 0.49 O1- ATOM 0 H GLU A 48 -4.519 -11.622 13.199 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.166 -13.766 15.040 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -4.290 -11.489 15.691 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -5.766 -10.776 15.072 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -6.842 -12.588 16.779 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -5.304 -12.326 17.578 1.00 0.06 H new ATOM 750 N LYS A 49 -7.371 -12.661 13.001 1.00 0.14 N ATOM 751 CA LYS A 49 -8.763 -12.774 12.583 1.00 0.18 C ATOM 752 C LYS A 49 -9.008 -13.982 11.683 1.00 0.27 C ATOM 753 O LYS A 49 -10.137 -14.466 11.603 1.00 0.38 O ATOM 754 CB LYS A 49 -9.204 -11.484 11.883 1.00 0.12 C ATOM 755 CG LYS A 49 -8.962 -10.233 12.720 1.00 0.20 C ATOM 756 CD LYS A 49 -10.207 -9.797 13.484 1.00 0.43 C ATOM 757 CE LYS A 49 -10.697 -10.859 14.464 1.00 0.64 C ATOM 758 NZ LYS A 49 -9.725 -11.129 15.562 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.740 -12.287 12.292 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.362 -12.925 13.481 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.669 -11.390 10.938 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.265 -11.553 11.643 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.153 -10.422 13.426 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.635 -9.422 12.070 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -9.991 -8.878 14.028 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -11.002 -9.568 12.775 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -11.645 -10.538 14.896 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -10.891 -11.784 13.922 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -10.242 -11.321 16.444 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -9.143 -11.955 15.315 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -9.111 -10.300 15.694 1.00 0.88 H new ATOM 772 N GLN A 50 -7.955 -14.459 11.017 1.00 0.30 N ATOM 773 CA GLN A 50 -8.049 -15.619 10.120 1.00 0.41 C ATOM 774 C GLN A 50 -9.192 -15.459 9.111 1.00 0.29 C ATOM 775 O GLN A 50 -10.161 -16.218 9.132 1.00 0.47 O ATOM 776 CB GLN A 50 -8.246 -16.907 10.930 1.00 0.63 C ATOM 777 CG GLN A 50 -7.103 -17.217 11.880 1.00 0.78 C ATOM 778 CD GLN A 50 -7.384 -18.422 12.760 1.00 0.93 C ATOM 779 OE1 GLN A 50 -8.538 -18.728 13.066 1.00 0.94 O ATOM 780 NE2 GLN A 50 -6.335 -19.112 13.178 1.00 1.07 N ATOM 0 H GLN A 50 -7.019 -14.058 11.081 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.113 -15.682 9.565 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.170 -16.827 11.503 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.370 -17.743 10.241 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -6.195 -17.397 11.304 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -6.914 -16.348 12.510 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -5.395 -18.827 12.903 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -6.467 -19.929 13.775 1.00 1.07 H new ATOM 789 N PRO A 51 -9.088 -14.479 8.198 1.00 0.11 N ATOM 790 CA PRO A 51 -10.132 -14.221 7.205 1.00 0.09 C ATOM 791 C PRO A 51 -10.241 -15.326 6.160 1.00 0.05 C ATOM 792 O PRO A 51 -11.313 -15.894 5.949 1.00 0.20 O ATOM 793 CB PRO A 51 -9.698 -12.904 6.543 1.00 0.32 C ATOM 794 CG PRO A 51 -8.601 -12.363 7.402 1.00 0.44 C ATOM 795 CD PRO A 51 -7.958 -13.553 8.050 1.00 0.34 C ATOM 0 HA PRO A 51 -11.116 -14.174 7.671 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.350 -13.074 5.524 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -10.530 -12.203 6.483 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.878 -11.805 6.807 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -8.995 -11.676 8.151 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.166 -13.974 7.431 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.511 -13.300 9.011 1.00 0.34 H new ATOM 803 N MET A 52 -9.126 -15.632 5.512 1.00 0.10 N ATOM 804 CA MET A 52 -9.105 -16.656 4.473 1.00 0.14 C ATOM 805 C MET A 52 -8.370 -17.907 4.940 1.00 0.14 C ATOM 806 O MET A 52 -8.307 -18.898 4.217 1.00 0.16 O ATOM 807 CB MET A 52 -8.441 -16.111 3.205 1.00 0.25 C ATOM 808 CG MET A 52 -8.925 -14.726 2.807 1.00 0.17 C ATOM 809 SD MET A 52 -10.715 -14.643 2.616 1.00 0.22 S ATOM 810 CE MET A 52 -10.931 -12.893 2.324 1.00 1.11 C ATOM 0 H MET A 52 -8.225 -15.188 5.686 1.00 0.10 H new ATOM 0 HA MET A 52 -10.138 -16.928 4.255 1.00 0.14 H new ATOM 0 HB2 MET A 52 -7.362 -16.079 3.356 1.00 0.25 H new ATOM 0 HB3 MET A 52 -8.628 -16.801 2.383 1.00 0.25 H new ATOM 0 HG2 MET A 52 -8.610 -14.005 3.562 1.00 0.17 H new ATOM 0 HG3 MET A 52 -8.450 -14.435 1.870 1.00 0.17 H new ATOM 0 HE1 MET A 52 -11.870 -12.725 1.796 1.00 1.11 H new ATOM 0 HE2 MET A 52 -10.951 -12.365 3.277 1.00 1.11 H new ATOM 0 HE3 MET A 52 -10.104 -12.520 1.720 1.00 1.11 H new ATOM 820 N LEU A 53 -7.821 -17.849 6.156 1.00 0.15 N ATOM 821 CA LEU A 53 -7.077 -18.968 6.739 1.00 0.17 C ATOM 822 C LEU A 53 -5.972 -19.449 5.801 1.00 0.20 C ATOM 823 O LEU A 53 -5.823 -20.650 5.563 1.00 0.41 O ATOM 824 CB LEU A 53 -8.023 -20.121 7.088 1.00 0.19 C ATOM 825 CG LEU A 53 -8.705 -20.005 8.454 1.00 0.36 C ATOM 826 CD1 LEU A 53 -9.935 -20.895 8.513 1.00 0.31 C ATOM 827 CD2 LEU A 53 -7.737 -20.371 9.571 1.00 0.51 C ATOM 0 H LEU A 53 -7.879 -17.030 6.761 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.607 -18.613 7.656 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.792 -20.186 6.319 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.461 -21.055 7.057 1.00 0.19 H new ATOM 0 HG LEU A 53 -9.017 -18.970 8.591 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.407 -20.800 9.491 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.640 -20.593 7.739 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -9.642 -21.932 8.351 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -8.241 -20.282 10.533 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -7.395 -21.397 9.434 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -6.881 -19.697 9.546 1.00 0.51 H new ATOM 839 N ASP A 54 -5.197 -18.508 5.284 1.00 0.04 N ATOM 840 CA ASP A 54 -4.107 -18.827 4.373 1.00 0.08 C ATOM 841 C ASP A 54 -3.123 -17.663 4.313 1.00 0.06 C ATOM 842 O ASP A 54 -3.532 -16.517 4.134 1.00 0.07 O ATOM 843 CB ASP A 54 -4.656 -19.132 2.978 1.00 0.12 C ATOM 844 CG ASP A 54 -3.722 -19.996 2.155 1.00 0.14 C ATOM 845 OD1 ASP A 54 -2.922 -20.754 2.741 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.797 -19.934 0.912 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.303 -17.513 5.481 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.585 -19.711 4.740 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.619 -19.634 3.073 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -4.836 -18.195 2.451 1.00 0.12 H new ATOM 851 N VAL A 55 -1.836 -17.963 4.469 1.00 0.06 N ATOM 852 CA VAL A 55 -0.787 -16.937 4.462 1.00 0.07 C ATOM 853 C VAL A 55 -0.800 -16.065 3.195 1.00 0.06 C ATOM 854 O VAL A 55 -0.850 -14.841 3.301 1.00 0.06 O ATOM 855 CB VAL A 55 0.616 -17.561 4.649 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.694 -16.483 4.672 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.663 -18.385 5.927 1.00 0.13 C ATOM 0 H VAL A 55 -1.489 -18.913 4.603 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.010 -16.287 5.308 1.00 0.07 H new ATOM 0 HB VAL A 55 0.811 -18.218 3.801 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.671 -16.948 4.805 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.679 -15.933 3.731 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.504 -15.796 5.497 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.657 -18.818 6.045 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.443 -17.745 6.781 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.076 -19.184 5.872 1.00 0.13 H new ATOM 867 N PRO A 56 -0.745 -16.659 1.978 1.00 0.05 N ATOM 868 CA PRO A 56 -0.751 -15.886 0.728 1.00 0.04 C ATOM 869 C PRO A 56 -1.937 -14.936 0.620 1.00 0.04 C ATOM 870 O PRO A 56 -1.784 -13.785 0.212 1.00 0.04 O ATOM 871 CB PRO A 56 -0.825 -16.950 -0.375 1.00 0.05 C ATOM 872 CG PRO A 56 -1.156 -18.229 0.312 1.00 0.06 C ATOM 873 CD PRO A 56 -0.641 -18.104 1.715 1.00 0.06 C ATOM 0 HA PRO A 56 0.130 -15.248 0.663 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.586 -16.695 -1.113 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.123 -17.027 -0.908 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.232 -18.405 0.308 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.693 -19.074 -0.197 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.238 -18.686 2.417 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.387 -18.457 1.801 1.00 0.06 H new ATOM 881 N LYS A 57 -3.111 -15.418 1.002 1.00 0.05 N ATOM 882 CA LYS A 57 -4.325 -14.612 0.944 1.00 0.05 C ATOM 883 C LYS A 57 -4.277 -13.505 1.991 1.00 0.06 C ATOM 884 O LYS A 57 -4.855 -12.438 1.806 1.00 0.08 O ATOM 885 CB LYS A 57 -5.564 -15.486 1.163 1.00 0.06 C ATOM 886 CG LYS A 57 -6.063 -16.196 -0.091 1.00 0.09 C ATOM 887 CD LYS A 57 -5.154 -17.346 -0.495 1.00 0.11 C ATOM 888 CE LYS A 57 -5.893 -18.375 -1.336 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.202 -19.694 -1.338 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.250 -16.364 1.356 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.388 -14.160 -0.046 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.337 -16.234 1.923 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.367 -14.864 1.558 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -7.070 -16.574 0.083 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.129 -15.481 -0.911 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -4.304 -16.959 -1.057 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.754 -17.825 0.398 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.906 -18.497 -0.952 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -5.982 -18.011 -2.359 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -5.897 -20.451 -1.178 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -4.736 -19.840 -2.256 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -4.489 -19.714 -0.581 1.00 0.10 H new ATOM 903 N LEU A 58 -3.580 -13.770 3.084 1.00 0.05 N ATOM 904 CA LEU A 58 -3.445 -12.806 4.169 1.00 0.06 C ATOM 905 C LEU A 58 -2.535 -11.651 3.758 1.00 0.06 C ATOM 906 O LEU A 58 -2.844 -10.483 4.000 1.00 0.08 O ATOM 907 CB LEU A 58 -2.879 -13.502 5.409 1.00 0.06 C ATOM 908 CG LEU A 58 -2.664 -12.604 6.623 1.00 0.11 C ATOM 909 CD1 LEU A 58 -3.619 -12.993 7.737 1.00 0.07 C ATOM 910 CD2 LEU A 58 -1.221 -12.685 7.097 1.00 0.17 C ATOM 0 H LEU A 58 -3.094 -14.652 3.246 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.430 -12.400 4.398 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.554 -14.310 5.691 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.926 -13.960 5.144 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.869 -11.573 6.336 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -3.456 -12.345 8.598 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -4.647 -12.884 7.390 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -3.441 -14.029 8.024 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -1.086 -12.038 7.964 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -0.985 -13.713 7.371 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -0.556 -12.362 6.296 1.00 0.17 H new ATOM 922 N ALA A 59 -1.418 -11.991 3.127 1.00 0.05 N ATOM 923 CA ALA A 59 -0.447 -11.000 2.683 1.00 0.06 C ATOM 924 C ALA A 59 -1.071 -9.986 1.723 1.00 0.08 C ATOM 925 O ALA A 59 -1.009 -8.780 1.958 1.00 0.11 O ATOM 926 CB ALA A 59 0.739 -11.692 2.030 1.00 0.06 C ATOM 0 H ALA A 59 -1.161 -12.954 2.910 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.104 -10.450 3.559 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.460 -10.944 1.701 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.212 -12.360 2.750 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.396 -12.268 1.171 1.00 0.06 H new ATOM 932 N VAL A 60 -1.697 -10.480 0.659 1.00 0.05 N ATOM 933 CA VAL A 60 -2.323 -9.604 -0.335 1.00 0.07 C ATOM 934 C VAL A 60 -3.520 -8.849 0.266 1.00 0.07 C ATOM 935 O VAL A 60 -3.877 -7.761 -0.193 1.00 0.08 O ATOM 936 CB VAL A 60 -2.766 -10.393 -1.592 1.00 0.07 C ATOM 937 CG1 VAL A 60 -3.804 -11.443 -1.240 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.296 -9.455 -2.671 1.00 0.08 C ATOM 0 H VAL A 60 -1.786 -11.477 0.460 1.00 0.05 H new ATOM 0 HA VAL A 60 -1.570 -8.876 -0.639 1.00 0.07 H new ATOM 0 HB VAL A 60 -1.888 -10.903 -1.988 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.097 -11.982 -2.141 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -3.383 -12.144 -0.519 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -4.679 -10.959 -0.806 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -3.600 -10.036 -3.542 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.154 -8.905 -2.285 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -2.514 -8.753 -2.959 1.00 0.08 H new ATOM 948 N LEU A 61 -4.115 -9.419 1.312 1.00 0.07 N ATOM 949 CA LEU A 61 -5.253 -8.798 1.977 1.00 0.08 C ATOM 950 C LEU A 61 -4.844 -7.470 2.603 1.00 0.08 C ATOM 951 O LEU A 61 -5.631 -6.525 2.657 1.00 0.08 O ATOM 952 CB LEU A 61 -5.818 -9.731 3.050 1.00 0.10 C ATOM 953 CG LEU A 61 -7.090 -9.241 3.746 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.283 -9.327 2.808 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.344 -10.047 5.006 1.00 0.07 C ATOM 0 H LEU A 61 -3.826 -10.310 1.716 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.026 -8.611 1.232 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.025 -10.699 2.593 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.050 -9.893 3.807 1.00 0.10 H new ATOM 0 HG LEU A 61 -6.951 -8.196 4.024 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.177 -8.974 3.323 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.101 -8.707 1.930 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.428 -10.362 2.498 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.252 -9.688 5.491 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.463 -11.099 4.747 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.500 -9.934 5.687 1.00 0.07 H new ATOM 967 N THR A 62 -3.606 -7.395 3.072 1.00 0.10 N ATOM 968 CA THR A 62 -3.111 -6.173 3.677 1.00 0.11 C ATOM 969 C THR A 62 -2.771 -5.149 2.604 1.00 0.10 C ATOM 970 O THR A 62 -2.947 -3.948 2.805 1.00 0.13 O ATOM 971 CB THR A 62 -1.872 -6.423 4.565 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.753 -6.834 3.770 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.166 -7.485 5.613 1.00 0.15 C ATOM 0 H THR A 62 -2.933 -8.161 3.044 1.00 0.10 H new ATOM 0 HA THR A 62 -3.907 -5.788 4.314 1.00 0.11 H new ATOM 0 HB THR A 62 -1.628 -5.486 5.066 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.052 -7.473 3.090 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.280 -7.645 6.227 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.990 -7.154 6.245 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.439 -8.418 5.119 1.00 0.15 H new ATOM 981 N ALA A 63 -2.318 -5.639 1.450 1.00 0.08 N ATOM 982 CA ALA A 63 -1.943 -4.780 0.331 1.00 0.08 C ATOM 983 C ALA A 63 -3.119 -3.943 -0.150 1.00 0.07 C ATOM 984 O ALA A 63 -2.995 -2.733 -0.348 1.00 0.08 O ATOM 985 CB ALA A 63 -1.400 -5.619 -0.818 1.00 0.08 C ATOM 0 H ALA A 63 -2.202 -6.636 1.267 1.00 0.08 H new ATOM 0 HA ALA A 63 -1.166 -4.100 0.682 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.124 -4.966 -1.646 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.522 -6.171 -0.482 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.165 -6.321 -1.149 1.00 0.08 H new ATOM 991 N VAL A 64 -4.262 -4.591 -0.324 1.00 0.07 N ATOM 992 CA VAL A 64 -5.461 -3.906 -0.789 1.00 0.08 C ATOM 993 C VAL A 64 -5.952 -2.900 0.249 1.00 0.09 C ATOM 994 O VAL A 64 -6.550 -1.881 -0.095 1.00 0.12 O ATOM 995 CB VAL A 64 -6.585 -4.903 -1.161 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.132 -5.613 0.069 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.701 -4.202 -1.926 1.00 0.12 C ATOM 0 H VAL A 64 -4.385 -5.589 -0.151 1.00 0.07 H new ATOM 0 HA VAL A 64 -5.192 -3.362 -1.695 1.00 0.08 H new ATOM 0 HB VAL A 64 -6.150 -5.662 -1.811 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.919 -6.305 -0.230 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.329 -6.166 0.557 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.540 -4.877 0.762 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.479 -4.923 -2.176 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -8.125 -3.411 -1.308 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -7.298 -3.770 -2.842 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.675 -3.172 1.516 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.080 -2.272 2.580 1.00 0.09 C ATOM 1009 C GLN A 65 -5.137 -1.071 2.625 1.00 0.07 C ATOM 1010 O GLN A 65 -5.580 0.077 2.651 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.090 -2.994 3.925 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.002 -2.336 4.951 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.610 -2.672 6.373 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -5.452 -2.979 6.653 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -7.567 -2.611 7.284 1.00 0.31 N ATOM 0 H GLN A 65 -5.174 -4.004 1.829 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.093 -1.923 2.378 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -6.408 -4.026 3.774 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.075 -3.028 4.320 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -6.975 -1.255 4.816 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -8.030 -2.654 4.776 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -8.515 -2.352 7.011 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -7.357 -2.823 8.259 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.833 -1.354 2.600 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.805 -0.316 2.623 1.00 0.03 C ATOM 1026 C ILE A 66 -3.013 0.669 1.480 1.00 0.05 C ATOM 1027 O ILE A 66 -2.960 1.888 1.673 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.388 -0.935 2.508 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.022 -1.676 3.796 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.347 0.137 2.198 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.186 -2.584 3.658 1.00 1.29 C ATOM 0 H ILE A 66 -3.463 -2.304 2.563 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.888 0.208 3.575 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.397 -1.649 1.684 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.828 -0.946 4.582 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.877 -2.271 4.118 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.638 -0.323 2.123 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.594 0.622 1.254 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.340 0.879 2.996 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.383 -3.074 4.611 1.00 1.29 H new ATOM 0 HD12 ILE A 66 -0.011 -3.338 2.896 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.054 -1.993 3.367 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.259 0.131 0.291 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.479 0.951 -0.887 1.00 0.05 C ATOM 1045 C ALA A 67 -4.679 1.868 -0.693 1.00 0.04 C ATOM 1046 O ALA A 67 -4.596 3.063 -0.955 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.666 0.075 -2.117 1.00 0.06 C ATOM 0 H ALA A 67 -3.311 -0.873 0.120 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.598 1.575 -1.038 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.830 0.705 -2.991 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.774 -0.533 -2.270 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.528 -0.576 -1.972 1.00 0.06 H new ATOM 1053 N SER A 68 -5.782 1.307 -0.211 1.00 0.05 N ATOM 1054 CA SER A 68 -7.003 2.074 0.015 1.00 0.07 C ATOM 1055 C SER A 68 -6.783 3.204 1.023 1.00 0.08 C ATOM 1056 O SER A 68 -7.233 4.334 0.806 1.00 0.12 O ATOM 1057 CB SER A 68 -8.120 1.148 0.501 1.00 0.07 C ATOM 1058 OG SER A 68 -8.347 0.099 -0.423 1.00 0.04 O ATOM 0 H SER A 68 -5.856 0.319 0.032 1.00 0.05 H new ATOM 0 HA SER A 68 -7.292 2.527 -0.933 1.00 0.07 H new ATOM 0 HB2 SER A 68 -7.855 0.731 1.472 1.00 0.07 H new ATOM 0 HB3 SER A 68 -9.037 1.720 0.640 1.00 0.07 H new ATOM 0 HG SER A 68 -7.839 -0.693 -0.150 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.088 2.896 2.111 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.813 3.876 3.155 1.00 0.14 C ATOM 1066 C GLU A 69 -5.015 5.061 2.606 1.00 0.10 C ATOM 1067 O GLU A 69 -5.324 6.217 2.895 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.049 3.216 4.309 1.00 0.19 C ATOM 1069 CG GLU A 69 -5.852 2.151 5.049 1.00 0.29 C ATOM 1070 CD GLU A 69 -5.054 1.479 6.152 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -4.256 0.568 5.851 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -5.219 1.858 7.332 1.00 0.79 O1- ATOM 0 H GLU A 69 -5.702 1.970 2.294 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.767 4.253 3.525 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.138 2.764 3.918 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.744 3.986 5.018 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -6.745 2.607 5.478 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.189 1.396 4.338 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.006 4.771 1.796 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.166 5.819 1.227 1.00 0.04 C ATOM 1081 C TYR A 70 -3.830 6.512 0.039 1.00 0.03 C ATOM 1082 O TYR A 70 -3.599 7.694 -0.201 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.816 5.244 0.800 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.827 5.098 1.932 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.240 6.215 2.515 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.476 3.846 2.415 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.667 6.086 3.548 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.431 3.709 3.448 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.999 4.830 4.009 1.00 0.44 C ATOM 1090 OH TYR A 70 1.899 4.695 5.037 1.00 0.58 O ATOM 0 H TYR A 70 -3.749 3.824 1.518 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.017 6.567 2.006 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -1.976 4.268 0.343 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.384 5.888 0.034 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.498 7.200 2.154 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -0.919 2.964 1.976 1.00 0.37 H new ATOM 0 HE1 TYR A 70 1.113 6.963 3.992 1.00 0.47 H new ATOM 0 HE2 TYR A 70 0.693 2.727 3.813 1.00 0.46 H new ATOM 0 HH TYR A 70 2.021 3.745 5.242 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.653 5.781 -0.703 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.330 6.338 -1.872 1.00 0.11 C ATOM 1102 C LEU A 71 -6.230 7.510 -1.494 1.00 0.12 C ATOM 1103 O LEU A 71 -6.257 8.529 -2.188 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.146 5.259 -2.595 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.373 4.454 -3.657 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -6.075 3.142 -3.981 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.193 5.267 -4.933 1.00 0.23 C ATOM 0 H LEU A 71 -4.869 4.801 -0.518 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.559 6.708 -2.547 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.540 4.565 -1.852 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.002 5.734 -3.074 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.392 4.228 -3.238 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.503 2.599 -4.734 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -6.151 2.537 -3.077 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -7.074 3.349 -4.364 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.644 4.676 -5.667 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.170 5.531 -5.337 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.635 6.176 -4.709 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.948 7.380 -0.385 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.845 8.444 0.060 1.00 0.16 C ATOM 1121 C LYS A 72 -7.060 9.561 0.755 1.00 0.16 C ATOM 1122 O LYS A 72 -7.580 10.651 0.989 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.933 7.889 0.990 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.443 7.517 2.383 1.00 0.18 C ATOM 1125 CD LYS A 72 -9.154 8.329 3.460 1.00 0.22 C ATOM 1126 CE LYS A 72 -10.636 7.979 3.554 1.00 0.25 C ATOM 1127 NZ LYS A 72 -10.862 6.642 4.174 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.929 6.558 0.219 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.332 8.864 -0.820 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.726 8.631 1.084 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.374 7.007 0.526 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -8.610 6.454 2.557 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.368 7.685 2.449 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -8.677 8.149 4.424 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -9.045 9.392 3.244 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -11.151 8.741 4.140 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -11.075 7.994 2.556 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -11.544 6.105 3.601 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -9.962 6.123 4.218 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -11.238 6.764 5.136 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.800 9.285 1.068 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.947 10.265 1.725 1.00 0.05 C ATOM 1143 C LEU A 73 -4.200 11.101 0.688 1.00 0.05 C ATOM 1144 O LEU A 73 -3.925 12.279 0.905 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.955 9.568 2.665 1.00 0.14 C ATOM 1146 CG LEU A 73 -3.036 10.496 3.468 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -3.835 11.369 4.426 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -2.003 9.687 4.235 1.00 0.24 C ATOM 0 H LEU A 73 -5.347 8.391 0.877 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.576 10.929 2.317 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.518 8.950 3.365 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.334 8.895 2.074 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.522 11.149 2.762 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -3.156 12.016 4.981 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -4.538 11.981 3.861 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -4.384 10.736 5.123 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -1.359 10.361 4.800 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -2.509 9.009 4.922 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -1.399 9.110 3.534 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.888 10.493 -0.448 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.174 11.196 -1.505 1.00 0.18 C ATOM 1162 C LYS A 74 -4.137 11.998 -2.379 1.00 0.21 C ATOM 1163 O LYS A 74 -3.734 12.942 -3.061 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.369 10.210 -2.368 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.159 9.594 -3.522 1.00 0.11 C ATOM 1166 CD LYS A 74 -2.251 9.188 -4.679 1.00 0.18 C ATOM 1167 CE LYS A 74 -3.050 8.725 -5.890 1.00 0.26 C ATOM 1168 NZ LYS A 74 -2.179 8.140 -6.943 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.116 9.522 -0.661 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.481 11.891 -1.032 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -1.499 10.727 -2.774 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.995 9.409 -1.731 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.704 8.720 -3.164 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -3.901 10.309 -3.877 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -1.621 10.032 -4.960 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -1.585 8.388 -4.355 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -3.787 7.985 -5.577 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -3.602 9.569 -6.304 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -2.763 7.838 -7.749 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -1.492 8.853 -7.261 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -1.671 7.319 -6.557 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.414 11.631 -2.343 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.417 12.311 -3.152 1.00 0.27 C ATOM 1184 C GLU A 75 -6.856 13.620 -2.492 1.00 0.23 C ATOM 1185 O GLU A 75 -7.150 14.599 -3.182 1.00 0.32 O ATOM 1186 CB GLU A 75 -7.615 11.376 -3.429 1.00 0.36 C ATOM 1187 CG GLU A 75 -8.909 11.765 -2.731 1.00 0.51 C ATOM 1188 CD GLU A 75 -10.099 11.696 -3.664 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -10.151 10.776 -4.507 1.00 1.57 O1- ATOM 1190 OE2 GLU A 75 -10.984 12.574 -3.566 1.00 1.47 O ATOM 0 H GLU A 75 -5.776 10.872 -1.766 1.00 0.18 H new ATOM 0 HA GLU A 75 -5.972 12.569 -4.113 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -7.794 11.348 -4.504 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -7.345 10.365 -3.124 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -9.076 11.103 -1.881 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -8.817 12.776 -2.334 1.00 0.51 H new ATOM 1197 N GLU A 76 -6.867 13.655 -1.159 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.260 14.864 -0.440 1.00 0.10 C ATOM 1199 C GLU A 76 -6.247 15.973 -0.704 1.00 0.05 C ATOM 1200 O GLU A 76 -6.587 17.157 -0.704 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.374 14.598 1.065 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.039 14.342 1.745 1.00 0.19 C ATOM 1203 CD GLU A 76 -6.057 14.688 3.215 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -6.779 14.015 3.979 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -5.349 15.638 3.620 1.00 0.59 O1- ATOM 0 H GLU A 76 -6.611 12.869 -0.562 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.240 15.177 -0.801 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.855 15.453 1.540 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.023 13.737 1.224 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -5.771 13.292 1.626 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.265 14.927 1.248 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.005 15.561 -0.946 1.00 0.06 N ATOM 1213 CA TYR A 77 -3.917 16.481 -1.234 1.00 0.05 C ATOM 1214 C TYR A 77 -4.266 17.372 -2.419 1.00 0.07 C ATOM 1215 O TYR A 77 -4.122 18.590 -2.358 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.630 15.688 -1.512 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.521 16.476 -2.179 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.178 17.750 -1.742 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -0.814 15.938 -3.244 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.165 18.461 -2.348 1.00 0.16 C ATOM 1221 CE2 TYR A 77 0.205 16.645 -3.854 1.00 0.17 C ATOM 1222 CZ TYR A 77 0.524 17.906 -3.403 1.00 0.18 C ATOM 1223 OH TYR A 77 1.534 18.614 -4.012 1.00 0.21 O ATOM 0 H TYR A 77 -4.728 14.579 -0.947 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.757 17.123 -0.368 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.256 15.291 -0.569 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.877 14.834 -2.142 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.714 18.190 -0.914 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -1.064 14.950 -3.603 1.00 0.14 H new ATOM 0 HE1 TYR A 77 0.088 19.450 -1.997 1.00 0.16 H new ATOM 0 HE2 TYR A 77 0.748 16.210 -4.680 1.00 0.17 H new ATOM 0 HH TYR A 77 1.918 18.078 -4.737 1.00 0.21 H new ATOM 1233 N GLN A 78 -4.752 16.761 -3.490 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.108 17.507 -4.685 1.00 0.13 C ATOM 1235 C GLN A 78 -6.406 18.282 -4.496 1.00 0.06 C ATOM 1236 O GLN A 78 -6.572 19.353 -5.070 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.229 16.572 -5.888 1.00 0.19 C ATOM 1238 CG GLN A 78 -3.884 16.150 -6.464 1.00 0.23 C ATOM 1239 CD GLN A 78 -3.046 17.331 -6.916 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -3.129 17.769 -8.067 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -2.232 17.859 -6.016 1.00 0.26 N ATOM 0 H GLN A 78 -4.908 15.755 -3.555 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.309 18.225 -4.871 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -5.785 15.682 -5.593 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -5.810 17.067 -6.666 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -3.333 15.584 -5.713 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -4.049 15.481 -7.309 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -2.191 17.469 -5.074 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -1.645 18.656 -6.264 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.301 17.757 -3.666 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.600 18.391 -3.423 1.00 0.11 C ATOM 1252 C ARG A 79 -8.461 19.810 -2.876 1.00 0.17 C ATOM 1253 O ARG A 79 -9.126 20.730 -3.352 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.449 17.540 -2.476 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.372 16.559 -3.193 1.00 0.46 C ATOM 1256 CD ARG A 79 -9.761 16.064 -4.495 1.00 0.78 C ATOM 1257 NE ARG A 79 -10.363 14.822 -4.961 1.00 1.20 N ATOM 1258 CZ ARG A 79 -10.610 14.548 -6.239 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -10.386 15.462 -7.184 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -11.099 13.360 -6.571 1.00 1.78 N ATOM 0 H ARG A 79 -7.154 16.891 -3.147 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.102 18.462 -4.388 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -8.788 16.984 -1.811 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.050 18.199 -1.850 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -10.578 15.710 -2.541 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -11.327 17.042 -3.399 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -9.879 16.830 -5.261 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -8.690 15.914 -4.356 1.00 0.78 H new ATOM 0 HE ARG A 79 -10.610 14.119 -4.264 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -10.022 16.380 -6.929 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -10.578 15.243 -8.161 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -11.283 12.664 -5.848 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -11.291 13.143 -7.549 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.601 19.994 -1.882 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.410 21.319 -1.299 1.00 0.17 C ATOM 1276 C LEU A 80 -6.543 22.195 -2.198 1.00 0.18 C ATOM 1277 O LEU A 80 -6.620 23.424 -2.150 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.787 21.217 0.099 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.335 20.720 0.136 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -4.399 21.806 0.647 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -5.212 19.471 0.995 1.00 0.23 C ATOM 0 H LEU A 80 -7.032 19.256 -1.467 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.392 21.784 -1.209 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.830 22.199 0.570 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -7.398 20.547 0.703 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.044 20.469 -0.884 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -3.377 21.427 0.663 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -4.454 22.673 -0.011 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -4.694 22.096 1.655 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -4.174 19.138 1.006 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -5.531 19.696 2.012 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -5.842 18.683 0.583 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.727 21.564 -3.028 1.00 0.17 N ATOM 1294 CA ARG A 81 -4.846 22.297 -3.923 1.00 0.21 C ATOM 1295 C ARG A 81 -5.607 22.819 -5.139 1.00 0.22 C ATOM 1296 O ARG A 81 -5.466 23.983 -5.516 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.674 21.418 -4.364 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.687 21.110 -3.247 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.307 21.667 -3.553 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.306 23.120 -3.713 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.555 23.769 -4.607 1.00 0.50 C ATOM 1302 NH1 ARG A 81 0.221 23.092 -5.449 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -0.591 25.098 -4.669 1.00 0.54 N ATOM 0 H ARG A 81 -5.657 20.549 -3.100 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.452 23.154 -3.377 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.064 20.481 -4.762 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.145 21.914 -5.178 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -3.052 21.533 -2.311 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.622 20.031 -3.105 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.623 21.394 -2.749 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -0.928 21.205 -4.465 1.00 0.43 H new ATOM 0 HE ARG A 81 -1.914 23.670 -3.107 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.244 22.073 -5.414 1.00 0.71 H new ATOM 0 HH12 ARG A 81 0.793 23.592 -6.130 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -1.192 25.622 -4.033 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -0.017 25.592 -5.352 1.00 0.54 H new ATOM 1317 N GLU A 82 -6.422 21.962 -5.744 1.00 0.13 N ATOM 1318 CA GLU A 82 -7.200 22.341 -6.921 1.00 0.14 C ATOM 1319 C GLU A 82 -8.205 23.435 -6.583 1.00 0.14 C ATOM 1320 O GLU A 82 -8.547 24.260 -7.430 1.00 0.14 O ATOM 1321 CB GLU A 82 -7.930 21.123 -7.509 1.00 0.14 C ATOM 1322 CG GLU A 82 -8.953 20.498 -6.568 1.00 0.06 C ATOM 1323 CD GLU A 82 -9.817 19.448 -7.239 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -10.829 19.826 -7.868 1.00 1.21 O1- ATOM 1325 OE2 GLU A 82 -9.495 18.244 -7.142 1.00 0.84 O ATOM 0 H GLU A 82 -6.562 20.999 -5.439 1.00 0.13 H new ATOM 0 HA GLU A 82 -6.504 22.727 -7.666 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -8.433 21.423 -8.428 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -7.193 20.367 -7.781 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -8.432 20.046 -5.724 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -9.593 21.283 -6.164 1.00 0.06 H new ATOM 1332 N GLN A 83 -8.662 23.440 -5.337 1.00 0.14 N ATOM 1333 CA GLN A 83 -9.633 24.425 -4.874 1.00 0.14 C ATOM 1334 C GLN A 83 -9.014 25.819 -4.817 1.00 0.13 C ATOM 1335 O GLN A 83 -9.690 26.824 -5.045 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.154 24.027 -3.492 1.00 0.14 C ATOM 1337 CG GLN A 83 -11.506 24.628 -3.151 1.00 0.11 C ATOM 1338 CD GLN A 83 -12.013 24.173 -1.799 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -11.228 23.951 -0.873 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -13.321 24.016 -1.679 1.00 0.65 N ATOM 0 H GLN A 83 -8.374 22.769 -4.625 1.00 0.14 H new ATOM 0 HA GLN A 83 -10.462 24.450 -5.581 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -10.226 22.941 -3.440 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -9.429 24.335 -2.738 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -11.431 25.715 -3.161 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -12.228 24.351 -3.919 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -13.933 24.211 -2.471 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -13.718 23.700 -0.794 1.00 0.65 H new ATOM 1349 N LEU A 84 -7.726 25.870 -4.514 1.00 0.13 N ATOM 1350 CA LEU A 84 -7.015 27.140 -4.423 1.00 0.10 C ATOM 1351 C LEU A 84 -6.643 27.657 -5.811 1.00 0.05 C ATOM 1352 O LEU A 84 -6.558 28.867 -6.033 1.00 0.17 O ATOM 1353 CB LEU A 84 -5.763 26.974 -3.556 1.00 0.13 C ATOM 1354 CG LEU A 84 -4.928 28.252 -3.340 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -5.777 29.381 -2.762 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -3.737 27.979 -2.427 1.00 0.15 C ATOM 0 H LEU A 84 -7.151 25.049 -4.327 1.00 0.13 H new ATOM 0 HA LEU A 84 -7.672 27.875 -3.958 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -6.066 26.590 -2.582 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -5.125 26.217 -4.012 1.00 0.13 H new ATOM 0 HG LEU A 84 -4.558 28.565 -4.316 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -5.158 30.267 -2.622 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -6.591 29.612 -3.449 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -6.189 29.071 -1.802 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -3.165 28.897 -2.291 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -4.094 27.627 -1.459 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -3.100 27.218 -2.878 1.00 0.15 H new ATOM 1368 N LYS A 85 -6.442 26.733 -6.743 1.00 0.12 N ATOM 1369 CA LYS A 85 -6.075 27.083 -8.112 1.00 0.08 C ATOM 1370 C LYS A 85 -7.163 27.931 -8.774 1.00 0.11 C ATOM 1371 O LYS A 85 -6.977 29.129 -8.994 1.00 0.11 O ATOM 1372 CB LYS A 85 -5.820 25.821 -8.940 1.00 0.02 C ATOM 1373 CG LYS A 85 -4.629 25.004 -8.451 1.00 0.15 C ATOM 1374 CD LYS A 85 -4.465 23.711 -9.243 1.00 0.18 C ATOM 1375 CE LYS A 85 -3.287 23.781 -10.205 1.00 0.27 C ATOM 1376 NZ LYS A 85 -1.989 23.505 -9.528 1.00 0.48 N1+ ATOM 0 H LYS A 85 -6.527 25.730 -6.575 1.00 0.12 H new ATOM 0 HA LYS A 85 -5.158 27.671 -8.071 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -6.713 25.196 -8.919 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -5.654 26.105 -9.979 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -3.720 25.600 -8.536 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -4.759 24.769 -7.395 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -4.322 22.879 -8.554 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -5.379 23.509 -9.802 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -3.435 23.061 -11.010 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -3.253 24.769 -10.663 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -1.216 23.564 -10.222 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -1.833 24.207 -8.776 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -2.010 22.552 -9.113 1.00 0.48 H new ATOM 1390 N LYS A 86 -8.303 27.316 -9.074 1.00 0.23 N ATOM 1391 CA LYS A 86 -9.409 28.017 -9.711 1.00 0.30 C ATOM 1392 C LYS A 86 -10.649 27.142 -9.699 1.00 0.31 C ATOM 1393 O LYS A 86 -11.676 27.543 -10.290 1.00 0.34 O ATOM 1394 CB LYS A 86 -9.056 28.409 -11.155 1.00 0.35 C ATOM 1395 CG LYS A 86 -9.029 27.239 -12.128 1.00 0.42 C ATOM 1396 CD LYS A 86 -9.446 27.662 -13.531 1.00 0.38 C ATOM 1397 CE LYS A 86 -10.953 27.565 -13.733 1.00 0.40 C ATOM 1398 NZ LYS A 86 -11.700 28.525 -12.876 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -10.593 26.053 -9.093 1.00 0.35 O1- ATOM 0 H LYS A 86 -8.484 26.330 -8.885 1.00 0.23 H new ATOM 0 HA LYS A 86 -9.605 28.930 -9.149 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -9.779 29.144 -11.508 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -8.080 28.894 -11.160 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -8.025 26.815 -12.159 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -9.696 26.454 -11.771 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -9.121 28.687 -13.712 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -8.941 27.033 -14.264 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -11.190 27.755 -14.780 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -11.283 26.550 -13.511 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -12.691 28.570 -13.187 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -11.662 28.209 -11.886 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -11.270 29.468 -12.955 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -35.215 -6.269 17.858 1.00 1.09 N ATOM 1415 CA GLY B 1 -34.826 -5.212 18.819 1.00 0.31 C ATOM 1416 C GLY B 1 -34.812 -3.842 18.175 1.00 0.29 C ATOM 1417 O GLY B 1 -34.039 -3.595 17.252 1.00 0.69 O ATOM 0 H1 GLY B 1 -35.213 -7.192 18.337 1.00 1.09 H new ATOM 0 H2 GLY B 1 -36.168 -6.072 17.492 1.00 1.09 H new ATOM 0 H3 GLY B 1 -34.538 -6.287 17.069 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -35.521 -5.211 19.659 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -33.838 -5.434 19.223 1.00 0.31 H new ATOM 1423 N SER B 2 -35.665 -2.950 18.656 1.00 0.38 N ATOM 1424 CA SER B 2 -35.742 -1.606 18.109 1.00 0.63 C ATOM 1425 C SER B 2 -34.722 -0.685 18.776 1.00 0.42 C ATOM 1426 O SER B 2 -34.971 -0.132 19.850 1.00 0.44 O ATOM 1427 CB SER B 2 -37.157 -1.053 18.279 1.00 1.08 C ATOM 1428 OG SER B 2 -38.124 -2.013 17.886 1.00 1.47 O ATOM 0 H SER B 2 -36.312 -3.133 19.423 1.00 0.38 H new ATOM 0 HA SER B 2 -35.506 -1.652 17.046 1.00 0.63 H new ATOM 0 HB2 SER B 2 -37.320 -0.771 19.319 1.00 1.08 H new ATOM 0 HB3 SER B 2 -37.273 -0.148 17.682 1.00 1.08 H new ATOM 0 HG SER B 2 -39.022 -1.640 18.004 1.00 1.47 H new ATOM 1434 N HIS B 3 -33.566 -0.548 18.148 1.00 0.34 N ATOM 1435 CA HIS B 3 -32.505 0.306 18.660 1.00 0.24 C ATOM 1436 C HIS B 3 -32.067 1.286 17.584 1.00 0.25 C ATOM 1437 O HIS B 3 -32.395 1.114 16.411 1.00 0.45 O ATOM 1438 CB HIS B 3 -31.312 -0.528 19.125 1.00 0.41 C ATOM 1439 CG HIS B 3 -31.339 -0.863 20.585 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -30.441 -0.346 21.496 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -32.164 -1.668 21.295 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -30.712 -0.823 22.698 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -31.753 -1.628 22.604 1.00 1.42 N ATOM 0 H HIS B 3 -33.336 -1.022 17.274 1.00 0.34 H new ATOM 0 HA HIS B 3 -32.890 0.859 19.517 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -31.282 -1.454 18.550 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -30.393 0.015 18.904 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -32.994 -2.237 20.903 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -30.172 -0.593 23.605 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -32.182 -2.137 23.377 1.00 1.42 H new ATOM 1452 N MET B 4 -31.323 2.305 17.984 1.00 0.16 N ATOM 1453 CA MET B 4 -30.845 3.308 17.043 1.00 0.18 C ATOM 1454 C MET B 4 -29.729 2.728 16.184 1.00 0.37 C ATOM 1455 O MET B 4 -28.947 1.898 16.650 1.00 0.82 O ATOM 1456 CB MET B 4 -30.341 4.550 17.788 1.00 0.24 C ATOM 1457 CG MET B 4 -31.400 5.226 18.643 1.00 0.26 C ATOM 1458 SD MET B 4 -30.770 6.663 19.533 1.00 0.45 S ATOM 1459 CE MET B 4 -32.153 7.020 20.617 1.00 0.61 C ATOM 0 H MET B 4 -31.037 2.460 18.951 1.00 0.16 H new ATOM 0 HA MET B 4 -31.675 3.602 16.400 1.00 0.18 H new ATOM 0 HB2 MET B 4 -29.502 4.265 18.423 1.00 0.24 H new ATOM 0 HB3 MET B 4 -29.961 5.268 17.062 1.00 0.24 H new ATOM 0 HG2 MET B 4 -32.231 5.534 18.008 1.00 0.26 H new ATOM 0 HG3 MET B 4 -31.796 4.506 19.359 1.00 0.26 H new ATOM 0 HE1 MET B 4 -31.917 7.887 21.234 1.00 0.61 H new ATOM 0 HE2 MET B 4 -33.039 7.231 20.019 1.00 0.61 H new ATOM 0 HE3 MET B 4 -32.345 6.159 21.258 1.00 0.61 H new ATOM 1469 N THR B 5 -29.656 3.165 14.939 1.00 0.18 N ATOM 1470 CA THR B 5 -28.637 2.679 14.029 1.00 0.33 C ATOM 1471 C THR B 5 -28.041 3.836 13.228 1.00 0.22 C ATOM 1472 O THR B 5 -28.720 4.823 12.932 1.00 0.16 O ATOM 1473 CB THR B 5 -29.206 1.604 13.074 1.00 0.59 C ATOM 1474 OG1 THR B 5 -28.164 1.057 12.253 1.00 0.29 O ATOM 1475 CG2 THR B 5 -30.308 2.178 12.191 1.00 0.99 C ATOM 0 H THR B 5 -30.290 3.855 14.536 1.00 0.18 H new ATOM 0 HA THR B 5 -27.848 2.219 14.625 1.00 0.33 H new ATOM 0 HB THR B 5 -29.633 0.810 13.688 1.00 0.59 H new ATOM 0 HG1 THR B 5 -28.541 0.377 11.656 1.00 0.29 H new ATOM 0 HG21 THR B 5 -30.688 1.399 11.531 1.00 0.99 H new ATOM 0 HG22 THR B 5 -31.119 2.551 12.817 1.00 0.99 H new ATOM 0 HG23 THR B 5 -29.906 2.996 11.593 1.00 0.99 H new ATOM 1483 N GLU B 6 -26.764 3.723 12.911 1.00 0.23 N ATOM 1484 CA GLU B 6 -26.065 4.745 12.146 1.00 0.17 C ATOM 1485 C GLU B 6 -25.455 4.128 10.892 1.00 0.23 C ATOM 1486 O GLU B 6 -25.767 2.987 10.542 1.00 0.52 O ATOM 1487 CB GLU B 6 -24.971 5.407 13.000 1.00 0.15 C ATOM 1488 CG GLU B 6 -23.887 4.449 13.479 1.00 0.15 C ATOM 1489 CD GLU B 6 -24.332 3.591 14.646 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -24.210 4.046 15.800 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -24.818 2.465 14.410 1.00 1.72 O1- ATOM 0 H GLU B 6 -26.183 2.927 13.174 1.00 0.23 H new ATOM 0 HA GLU B 6 -26.781 5.512 11.853 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -24.505 6.204 12.420 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -25.436 5.874 13.868 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -23.589 3.803 12.653 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -23.006 5.021 13.770 1.00 0.15 H new ATOM 1498 N GLN B 7 -24.604 4.882 10.209 1.00 0.15 N ATOM 1499 CA GLN B 7 -23.943 4.392 9.009 1.00 0.22 C ATOM 1500 C GLN B 7 -22.432 4.386 9.204 1.00 0.22 C ATOM 1501 O GLN B 7 -21.765 5.393 8.976 1.00 0.45 O ATOM 1502 CB GLN B 7 -24.321 5.237 7.790 1.00 0.57 C ATOM 1503 CG GLN B 7 -25.725 4.960 7.276 1.00 0.48 C ATOM 1504 CD GLN B 7 -25.900 3.529 6.804 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -25.674 3.215 5.636 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -26.295 2.655 7.715 1.00 0.86 N ATOM 0 H GLN B 7 -24.355 5.837 10.467 1.00 0.15 H new ATOM 0 HA GLN B 7 -24.278 3.371 8.829 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -24.238 6.293 8.049 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -23.605 5.048 6.990 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -26.446 5.169 8.067 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -25.948 5.640 6.454 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -26.471 2.960 8.672 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -26.424 1.676 7.460 1.00 0.86 H new ATOM 1515 N PRO B 8 -21.882 3.251 9.651 1.00 0.27 N ATOM 1516 CA PRO B 8 -20.452 3.106 9.894 1.00 0.51 C ATOM 1517 C PRO B 8 -19.688 2.695 8.635 1.00 0.35 C ATOM 1518 O PRO B 8 -20.259 2.634 7.544 1.00 0.14 O ATOM 1519 CB PRO B 8 -20.413 1.998 10.943 1.00 0.80 C ATOM 1520 CG PRO B 8 -21.577 1.124 10.612 1.00 0.79 C ATOM 1521 CD PRO B 8 -22.614 2.009 9.961 1.00 0.38 C ATOM 0 HA PRO B 8 -19.979 4.036 10.209 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -19.476 1.443 10.899 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -20.496 2.404 11.951 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -21.278 0.320 9.940 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -21.977 0.656 11.511 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -23.021 1.550 9.060 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -23.454 2.197 10.630 1.00 0.38 H new ATOM 1529 N LYS B 9 -18.395 2.428 8.790 1.00 0.47 N ATOM 1530 CA LYS B 9 -17.556 2.012 7.668 1.00 0.33 C ATOM 1531 C LYS B 9 -18.045 0.682 7.098 1.00 0.35 C ATOM 1532 O LYS B 9 -17.839 -0.374 7.699 1.00 0.52 O ATOM 1533 CB LYS B 9 -16.100 1.870 8.112 1.00 0.23 C ATOM 1534 CG LYS B 9 -15.475 3.155 8.639 1.00 0.28 C ATOM 1535 CD LYS B 9 -14.085 2.900 9.202 1.00 0.35 C ATOM 1536 CE LYS B 9 -14.138 2.220 10.563 1.00 0.69 C ATOM 1537 NZ LYS B 9 -13.777 3.152 11.660 1.00 0.89 N1+ ATOM 0 H LYS B 9 -17.904 2.492 9.682 1.00 0.47 H new ATOM 0 HA LYS B 9 -17.622 2.778 6.895 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -16.042 1.107 8.889 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -15.509 1.512 7.269 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -15.416 3.890 7.836 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -16.112 3.581 9.414 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -13.521 2.278 8.507 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -13.550 3.846 9.290 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -15.140 1.828 10.734 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -13.457 1.369 10.571 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -13.825 2.652 12.570 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -12.811 3.507 11.510 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -14.442 3.952 11.669 1.00 0.89 H new ATOM 1551 N THR B 10 -18.696 0.738 5.945 1.00 0.33 N ATOM 1552 CA THR B 10 -19.215 -0.461 5.310 1.00 0.31 C ATOM 1553 C THR B 10 -18.085 -1.293 4.701 1.00 0.23 C ATOM 1554 O THR B 10 -17.002 -0.778 4.400 1.00 0.23 O ATOM 1555 CB THR B 10 -20.263 -0.110 4.228 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.998 -1.283 3.856 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.605 0.500 2.994 1.00 0.28 C ATOM 0 H THR B 10 -18.876 1.601 5.432 1.00 0.33 H new ATOM 0 HA THR B 10 -19.704 -1.055 6.082 1.00 0.31 H new ATOM 0 HB THR B 10 -20.945 0.628 4.650 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.660 -1.051 3.172 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.369 0.735 2.253 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.079 1.413 3.275 1.00 0.28 H new ATOM 0 HG23 THR B 10 -18.896 -0.211 2.571 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.336 -2.583 4.543 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.348 -3.487 3.980 1.00 0.21 C ATOM 1567 C ARG B 11 -17.668 -3.796 2.522 1.00 0.27 C ATOM 1568 O ARG B 11 -18.807 -3.644 2.076 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.273 -4.776 4.801 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.480 -5.688 4.634 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.451 -6.827 5.634 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.501 -7.810 5.385 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.937 -8.672 6.301 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -19.432 -8.654 7.529 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.883 -9.549 5.989 1.00 1.72 N ATOM 0 H ARG B 11 -19.218 -3.027 4.798 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.375 -2.998 4.017 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.375 -5.324 4.517 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -17.169 -4.518 5.855 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -19.396 -5.111 4.763 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.497 -6.091 3.621 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.479 -7.319 5.593 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -18.563 -6.426 6.641 1.00 0.68 H new ATOM 0 HE ARG B 11 -19.924 -7.838 4.457 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.708 -7.978 7.773 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.768 -9.316 8.228 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -21.276 -9.562 5.048 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -21.217 -10.210 6.691 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.659 -4.229 1.788 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.816 -4.555 0.381 1.00 0.15 C ATOM 1591 C VAL B 12 -16.018 -5.809 0.041 1.00 0.12 C ATOM 1592 O VAL B 12 -15.008 -6.099 0.683 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.341 -3.380 -0.507 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.828 -3.226 -0.427 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.793 -3.561 -1.951 1.00 0.25 C ATOM 0 H VAL B 12 -15.714 -4.364 2.147 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.873 -4.737 0.188 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.800 -2.466 -0.129 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.513 -2.395 -1.058 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.536 -3.029 0.605 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.350 -4.144 -0.770 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.444 -2.720 -2.550 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.377 -4.487 -2.349 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.881 -3.606 -1.989 1.00 0.25 H new ATOM 1605 N SER B 13 -16.479 -6.559 -0.949 1.00 0.09 N ATOM 1606 CA SER B 13 -15.791 -7.766 -1.374 1.00 0.12 C ATOM 1607 C SER B 13 -15.354 -7.636 -2.830 1.00 0.18 C ATOM 1608 O SER B 13 -16.192 -7.539 -3.730 1.00 0.48 O ATOM 1609 CB SER B 13 -16.702 -8.983 -1.192 1.00 0.12 C ATOM 1610 OG SER B 13 -17.284 -8.987 0.103 1.00 0.38 O ATOM 0 H SER B 13 -17.329 -6.351 -1.473 1.00 0.09 H new ATOM 0 HA SER B 13 -14.903 -7.904 -0.757 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.487 -8.972 -1.948 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.129 -9.898 -1.341 1.00 0.12 H new ATOM 0 HG SER B 13 -17.864 -9.771 0.199 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.049 -7.617 -3.059 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.509 -7.494 -4.408 1.00 0.13 C ATOM 1618 C VAL B 14 -12.710 -8.736 -4.773 1.00 0.09 C ATOM 1619 O VAL B 14 -12.413 -9.561 -3.911 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.612 -6.244 -4.564 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.438 -4.970 -4.456 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.486 -6.242 -3.536 1.00 0.17 C ATOM 0 H VAL B 14 -13.342 -7.685 -2.327 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.358 -7.387 -5.083 1.00 0.13 H new ATOM 0 HB VAL B 14 -12.162 -6.279 -5.556 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.787 -4.103 -4.569 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -14.195 -4.959 -5.240 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.925 -4.934 -3.481 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.872 -5.351 -3.670 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -11.910 -6.242 -2.532 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.870 -7.131 -3.670 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.362 -8.870 -6.043 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.607 -10.028 -6.498 1.00 0.12 C ATOM 1634 C ARG B 15 -10.224 -9.622 -7.005 1.00 0.08 C ATOM 1635 O ARG B 15 -10.099 -8.767 -7.882 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.383 -10.766 -7.590 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.636 -11.948 -8.187 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.573 -12.874 -8.944 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.348 -12.168 -9.963 1.00 0.23 N ATOM 1640 CZ ARG B 15 -14.408 -12.687 -10.581 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -14.830 -13.902 -10.262 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -15.057 -11.983 -11.500 1.00 0.33 N ATOM 0 H ARG B 15 -12.588 -8.196 -6.774 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.467 -10.698 -5.650 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.328 -11.118 -7.176 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.627 -10.063 -8.387 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.858 -11.586 -8.860 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.137 -12.503 -7.393 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -11.993 -13.667 -9.416 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -13.254 -13.353 -8.240 1.00 0.37 H new ATOM 0 HE ARG B 15 -13.060 -11.223 -10.216 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -14.343 -14.439 -9.544 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -15.641 -14.300 -10.734 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -14.745 -11.041 -11.735 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -15.868 -12.384 -11.971 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.193 -10.243 -6.442 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.816 -9.969 -6.825 1.00 0.08 C ATOM 1658 C ILE B 16 -7.081 -11.283 -7.068 1.00 0.13 C ATOM 1659 O ILE B 16 -7.034 -12.145 -6.187 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.068 -9.158 -5.739 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.835 -7.880 -5.394 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.658 -8.822 -6.209 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.395 -7.240 -4.094 1.00 0.15 C ATOM 0 H ILE B 16 -9.289 -10.947 -5.710 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.837 -9.373 -7.737 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.000 -9.769 -4.839 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.709 -7.161 -6.204 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.899 -8.110 -5.334 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.143 -8.252 -5.436 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.111 -9.744 -6.405 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.710 -8.230 -7.123 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -7.982 -6.339 -3.915 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.547 -7.941 -3.274 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.339 -6.978 -4.157 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.535 -11.433 -8.269 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.796 -12.634 -8.667 1.00 0.25 C ATOM 1677 C TYR B 17 -6.677 -13.882 -8.626 1.00 0.24 C ATOM 1678 O TYR B 17 -6.192 -14.991 -8.412 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.557 -12.825 -7.793 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.263 -12.619 -8.546 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -3.062 -11.471 -9.305 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.250 -13.568 -8.509 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -1.889 -11.279 -10.004 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.072 -13.378 -9.205 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.898 -12.233 -9.952 1.00 0.26 C ATOM 1686 OH TYR B 17 0.270 -12.038 -10.650 1.00 0.34 O ATOM 0 H TYR B 17 -6.590 -10.724 -9.000 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.476 -12.489 -9.699 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.599 -12.127 -6.957 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.569 -13.830 -7.371 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -3.836 -10.719 -9.348 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -2.385 -14.468 -7.927 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -1.748 -10.383 -10.590 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -0.291 -14.123 -9.164 1.00 0.31 H new ATOM 0 HH TYR B 17 0.867 -12.802 -10.508 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.973 -13.692 -8.834 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.897 -14.809 -8.833 1.00 0.22 C ATOM 1698 C GLY B 18 -9.577 -15.031 -7.494 1.00 0.22 C ATOM 1699 O GLY B 18 -10.687 -15.558 -7.443 1.00 0.24 O ATOM 0 H GLY B 18 -8.402 -12.782 -9.004 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.658 -14.641 -9.595 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.360 -15.715 -9.113 1.00 0.22 H new ATOM 1703 N GLN B 19 -8.932 -14.624 -6.411 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.500 -14.807 -5.079 1.00 0.21 C ATOM 1705 C GLN B 19 -10.285 -13.573 -4.656 1.00 0.18 C ATOM 1706 O GLN B 19 -9.968 -12.455 -5.061 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.401 -15.103 -4.053 1.00 0.22 C ATOM 1708 CG GLN B 19 -7.596 -16.360 -4.351 1.00 0.56 C ATOM 1709 CD GLN B 19 -6.387 -16.103 -5.235 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -5.754 -14.949 -5.074 1.00 0.81 O flip ATOM 1711 NE2 GLN B 19 -6.007 -16.948 -6.044 1.00 1.36 N flip ATOM 0 H GLN B 19 -8.020 -14.167 -6.425 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.178 -15.660 -5.119 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.722 -14.252 -4.008 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -8.856 -15.201 -3.067 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -7.263 -16.802 -3.412 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -8.243 -17.091 -4.835 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -6.517 -17.826 -6.143 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -5.181 -16.771 -6.616 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.311 -13.781 -3.846 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.138 -12.687 -3.363 1.00 0.24 C ATOM 1722 C ASP B 20 -11.702 -12.269 -1.968 1.00 0.23 C ATOM 1723 O ASP B 20 -11.417 -13.112 -1.113 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.623 -13.070 -3.363 1.00 0.31 C ATOM 1725 CG ASP B 20 -13.904 -14.337 -2.583 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -13.755 -15.436 -3.161 1.00 1.64 O ATOM 1727 OD2 ASP B 20 -14.284 -14.242 -1.397 1.00 0.39 O1- ATOM 0 H ASP B 20 -11.592 -14.702 -3.508 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.007 -11.844 -4.042 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.204 -12.251 -2.939 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -13.960 -13.200 -4.392 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.641 -10.968 -1.745 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.226 -10.427 -0.462 1.00 0.22 C ATOM 1734 C TYR B 21 -12.218 -9.375 0.021 1.00 0.24 C ATOM 1735 O TYR B 21 -12.637 -8.506 -0.745 1.00 0.36 O ATOM 1736 CB TYR B 21 -9.821 -9.828 -0.578 1.00 0.19 C ATOM 1737 CG TYR B 21 -8.792 -10.818 -1.078 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.233 -11.762 -0.226 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.391 -10.816 -2.408 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -7.304 -12.673 -0.682 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -7.463 -11.728 -2.874 1.00 0.15 C ATOM 1742 CZ TYR B 21 -6.922 -12.653 -2.008 1.00 0.15 C ATOM 1743 OH TYR B 21 -5.999 -13.568 -2.472 1.00 0.14 O ATOM 0 H TYR B 21 -11.876 -10.261 -2.442 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.204 -11.235 0.270 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -9.852 -8.973 -1.254 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.511 -9.453 0.397 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -8.531 -11.783 0.812 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -8.811 -10.090 -3.089 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -6.877 -13.398 -0.005 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -7.163 -11.716 -3.912 1.00 0.15 H new ATOM 0 HH TYR B 21 -5.948 -13.514 -3.449 1.00 0.14 H new ATOM 1753 N THR B 22 -12.594 -9.465 1.287 1.00 0.18 N ATOM 1754 CA THR B 22 -13.545 -8.534 1.872 1.00 0.18 C ATOM 1755 C THR B 22 -12.855 -7.619 2.879 1.00 0.16 C ATOM 1756 O THR B 22 -12.324 -8.082 3.892 1.00 0.21 O ATOM 1757 CB THR B 22 -14.696 -9.296 2.563 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.276 -10.240 1.647 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.770 -8.342 3.064 1.00 0.26 C ATOM 0 H THR B 22 -12.253 -10.178 1.932 1.00 0.18 H new ATOM 0 HA THR B 22 -13.957 -7.925 1.067 1.00 0.18 H new ATOM 0 HB THR B 22 -14.282 -9.824 3.422 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.993 -9.805 1.140 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.566 -8.910 3.545 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.334 -7.648 3.783 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.181 -7.783 2.223 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.863 -6.320 2.599 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.242 -5.336 3.478 1.00 0.11 C ATOM 1769 C ILE B 23 -13.183 -4.157 3.686 1.00 0.14 C ATOM 1770 O ILE B 23 -14.327 -4.182 3.235 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.875 -4.808 2.950 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.055 -3.889 1.720 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.920 -5.961 2.663 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.111 -4.592 0.377 1.00 0.08 C ATOM 0 H ILE B 23 -13.295 -5.923 1.765 1.00 0.11 H new ATOM 0 HA ILE B 23 -12.048 -5.849 4.420 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.428 -4.198 3.735 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -11.974 -3.316 1.848 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -10.233 -3.173 1.701 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.973 -5.566 2.296 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.747 -6.526 3.579 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.357 -6.616 1.909 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.239 -3.854 -0.415 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.184 -5.141 0.215 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -11.951 -5.287 0.365 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.699 -3.131 4.365 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.498 -1.947 4.634 1.00 0.17 C ATOM 1788 C VAL B 24 -13.347 -0.928 3.508 1.00 0.22 C ATOM 1789 O VAL B 24 -12.233 -0.520 3.181 1.00 0.28 O ATOM 1790 CB VAL B 24 -13.093 -1.296 5.972 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.963 -0.086 6.271 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.179 -2.309 7.103 1.00 0.18 C ATOM 0 H VAL B 24 -11.752 -3.094 4.742 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.540 -2.262 4.697 1.00 0.17 H new ATOM 0 HB VAL B 24 -12.060 -0.958 5.888 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.658 0.356 7.220 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.849 0.650 5.475 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -15.007 -0.395 6.333 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.890 -1.833 8.040 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.201 -2.678 7.184 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.507 -3.142 6.897 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.466 -0.513 2.930 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.424 0.443 1.843 1.00 0.27 C ATOM 1804 C GLY B 25 -14.972 1.794 2.253 1.00 0.07 C ATOM 1805 O GLY B 25 -15.967 2.264 1.696 1.00 0.28 O ATOM 0 H GLY B 25 -15.401 -0.822 3.195 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.395 0.558 1.501 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.999 0.059 1.000 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.316 2.421 3.221 1.00 0.15 N ATOM 1810 CA ALA B 26 -14.740 3.721 3.721 1.00 0.36 C ATOM 1811 C ALA B 26 -14.182 4.848 2.861 1.00 0.34 C ATOM 1812 O ALA B 26 -13.149 5.443 3.183 1.00 0.57 O ATOM 1813 CB ALA B 26 -14.320 3.896 5.171 1.00 0.61 C ATOM 0 H ALA B 26 -13.484 2.047 3.677 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.828 3.765 3.667 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -14.645 4.873 5.529 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -14.778 3.116 5.779 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -13.235 3.824 5.247 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.867 5.117 1.756 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.484 6.171 0.827 1.00 0.06 C ATOM 1821 C GLU B 27 -15.596 6.376 -0.198 1.00 0.07 C ATOM 1822 O GLU B 27 -16.305 7.384 -0.162 1.00 0.08 O ATOM 1823 CB GLU B 27 -13.150 5.837 0.134 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.799 6.769 -1.020 1.00 0.97 C ATOM 1825 CD GLU B 27 -12.680 8.220 -0.597 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.039 8.492 0.437 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -13.230 9.096 -1.297 1.00 2.44 O1- ATOM 0 H GLU B 27 -15.706 4.608 1.479 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.340 7.098 1.383 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.350 5.874 0.873 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -13.193 4.814 -0.239 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -11.857 6.448 -1.465 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -13.562 6.684 -1.793 1.00 0.97 H new ATOM 1834 N SER B 28 -15.758 5.402 -1.090 1.00 0.08 N ATOM 1835 CA SER B 28 -16.775 5.443 -2.136 1.00 0.11 C ATOM 1836 C SER B 28 -16.852 4.077 -2.815 1.00 0.14 C ATOM 1837 O SER B 28 -15.817 3.460 -3.082 1.00 0.14 O ATOM 1838 CB SER B 28 -16.458 6.533 -3.170 1.00 0.16 C ATOM 1839 OG SER B 28 -16.792 7.821 -2.688 1.00 0.98 O ATOM 0 H SER B 28 -15.185 4.559 -1.107 1.00 0.08 H new ATOM 0 HA SER B 28 -17.737 5.683 -1.683 1.00 0.11 H new ATOM 0 HB2 SER B 28 -15.397 6.501 -3.420 1.00 0.16 H new ATOM 0 HB3 SER B 28 -17.008 6.334 -4.090 1.00 0.16 H new ATOM 0 HG SER B 28 -16.979 7.772 -1.727 1.00 0.98 H new ATOM 1845 N PRO B 29 -18.073 3.600 -3.112 1.00 0.17 N ATOM 1846 CA PRO B 29 -18.309 2.284 -3.740 1.00 0.21 C ATOM 1847 C PRO B 29 -17.562 2.074 -5.064 1.00 0.18 C ATOM 1848 O PRO B 29 -17.284 0.938 -5.451 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.827 2.257 -3.977 1.00 0.30 C ATOM 1850 CG PRO B 29 -20.283 3.669 -3.814 1.00 0.28 C ATOM 1851 CD PRO B 29 -19.334 4.305 -2.848 1.00 0.18 C ATOM 0 HA PRO B 29 -17.939 1.485 -3.098 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -20.062 1.882 -4.973 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -20.324 1.600 -3.263 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -20.275 4.193 -4.770 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -21.305 3.707 -3.438 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -19.241 5.377 -3.020 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.661 4.175 -1.816 1.00 0.18 H new ATOM 1859 N ALA B 30 -17.253 3.156 -5.763 1.00 0.18 N ATOM 1860 CA ALA B 30 -16.540 3.056 -7.034 1.00 0.16 C ATOM 1861 C ALA B 30 -15.057 3.396 -6.884 1.00 0.10 C ATOM 1862 O ALA B 30 -14.241 3.042 -7.731 1.00 0.05 O ATOM 1863 CB ALA B 30 -17.183 3.969 -8.068 1.00 0.20 C ATOM 0 H ALA B 30 -17.481 4.108 -5.477 1.00 0.18 H new ATOM 0 HA ALA B 30 -16.609 2.021 -7.369 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -16.644 3.887 -9.012 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -18.222 3.675 -8.217 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -17.145 5.000 -7.717 1.00 0.20 H new ATOM 1869 N HIS B 31 -14.709 4.049 -5.782 1.00 0.15 N ATOM 1870 CA HIS B 31 -13.326 4.468 -5.543 1.00 0.13 C ATOM 1871 C HIS B 31 -12.468 3.327 -5.013 1.00 0.07 C ATOM 1872 O HIS B 31 -11.249 3.331 -5.182 1.00 0.05 O ATOM 1873 CB HIS B 31 -13.302 5.636 -4.558 1.00 0.20 C ATOM 1874 CG HIS B 31 -12.104 6.530 -4.674 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -10.818 6.067 -4.871 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -12.006 7.879 -4.606 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -9.986 7.093 -4.908 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -10.684 8.200 -4.753 1.00 1.22 N ATOM 0 H HIS B 31 -15.361 4.301 -5.039 1.00 0.15 H new ATOM 0 HA HIS B 31 -12.905 4.780 -6.499 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -14.201 6.235 -4.704 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -13.345 5.239 -3.544 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -10.552 5.087 -4.972 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -12.821 8.573 -4.462 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -8.916 7.034 -5.042 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -10.300 9.145 -4.744 1.00 1.22 H new ATOM 1887 N ILE B 32 -13.091 2.358 -4.363 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.344 1.220 -3.828 1.00 0.08 C ATOM 1889 C ILE B 32 -12.375 0.051 -4.805 1.00 0.07 C ATOM 1890 O ILE B 32 -11.769 -0.992 -4.571 1.00 0.14 O ATOM 1891 CB ILE B 32 -12.825 0.769 -2.417 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -13.995 -0.232 -2.479 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.175 1.972 -1.546 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.302 0.309 -3.026 1.00 0.10 C ATOM 0 H ILE B 32 -14.096 2.331 -4.192 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.316 1.561 -3.704 1.00 0.08 H new ATOM 0 HB ILE B 32 -11.990 0.242 -1.956 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -13.690 -1.080 -3.092 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.175 -0.614 -1.474 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.508 1.628 -0.567 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.295 2.604 -1.429 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.973 2.544 -2.020 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.053 -0.481 -3.023 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.643 1.136 -2.403 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.151 0.662 -4.046 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.063 0.248 -5.922 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.154 -0.785 -6.942 1.00 0.05 C ATOM 1908 C ARG B 33 -11.872 -0.799 -7.763 1.00 0.04 C ATOM 1909 O ARG B 33 -11.356 -1.859 -8.123 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.361 -0.548 -7.854 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.283 -1.748 -7.958 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.127 -1.917 -6.706 1.00 0.36 C ATOM 1913 NE ARG B 33 -17.204 -2.887 -6.905 1.00 0.42 N ATOM 1914 CZ ARG B 33 -18.492 -2.640 -6.659 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.879 -1.451 -6.205 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -19.402 -3.581 -6.877 1.00 1.46 N ATOM 0 H ARG B 33 -13.563 1.109 -6.143 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.285 -1.750 -6.453 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.928 0.305 -7.480 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.008 -0.283 -8.851 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.935 -1.632 -8.824 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.691 -2.649 -8.123 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.493 -2.242 -5.881 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.552 -0.955 -6.421 1.00 0.36 H new ATOM 0 HE ARG B 33 -16.954 -3.812 -7.254 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.189 -0.718 -6.042 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.866 -1.272 -6.020 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -19.117 -4.493 -7.233 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -20.386 -3.392 -6.689 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.345 0.394 -8.025 1.00 0.06 N ATOM 1931 CA LEU B 34 -10.117 0.545 -8.794 1.00 0.09 C ATOM 1932 C LEU B 34 -8.920 -0.006 -8.022 1.00 0.08 C ATOM 1933 O LEU B 34 -7.906 -0.381 -8.611 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.893 2.022 -9.148 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.646 2.962 -7.961 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -8.163 3.252 -7.795 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -10.422 4.254 -8.142 1.00 0.14 C ATOM 0 H LEU B 34 -11.754 1.275 -7.713 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.217 -0.027 -9.717 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -9.041 2.089 -9.824 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.764 2.381 -9.697 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.996 2.466 -7.056 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -8.016 3.921 -6.947 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.627 2.319 -7.619 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.781 3.725 -8.700 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -10.237 4.911 -7.292 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -10.099 4.747 -9.059 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -11.487 4.033 -8.205 1.00 0.14 H new ATOM 1949 N VAL B 35 -9.053 -0.060 -6.700 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.989 -0.559 -5.834 1.00 0.08 C ATOM 1951 C VAL B 35 -7.677 -2.015 -6.150 1.00 0.08 C ATOM 1952 O VAL B 35 -6.514 -2.405 -6.253 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.368 -0.444 -4.344 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.192 -0.827 -3.459 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.848 0.957 -4.018 1.00 0.09 C ATOM 0 H VAL B 35 -9.892 0.238 -6.203 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.110 0.058 -6.023 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.185 -1.139 -4.147 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.481 -0.739 -2.412 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.898 -1.855 -3.669 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.353 -0.162 -3.661 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.110 1.015 -2.962 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.055 1.673 -4.235 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.724 1.191 -4.623 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.729 -2.806 -6.319 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.585 -4.225 -6.626 1.00 0.07 C ATOM 1967 C ALA B 36 -7.766 -4.443 -7.896 1.00 0.09 C ATOM 1968 O ALA B 36 -6.840 -5.252 -7.919 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.954 -4.871 -6.770 1.00 0.08 C ATOM 0 H ALA B 36 -9.696 -2.488 -6.248 1.00 0.07 H new ATOM 0 HA ALA B 36 -8.051 -4.693 -5.799 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.834 -5.930 -6.999 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.508 -4.762 -5.838 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.503 -4.385 -7.577 1.00 0.08 H new ATOM 1975 N ALA B 37 -8.104 -3.695 -8.941 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.413 -3.804 -10.222 1.00 0.15 C ATOM 1977 C ALA B 37 -5.971 -3.323 -10.114 1.00 0.17 C ATOM 1978 O ALA B 37 -5.073 -3.864 -10.759 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.158 -3.015 -11.287 1.00 0.21 C ATOM 0 H ALA B 37 -8.855 -3.004 -8.926 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.393 -4.855 -10.509 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.634 -3.103 -12.239 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.169 -3.409 -11.392 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.206 -1.966 -10.995 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.760 -2.308 -9.287 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.431 -1.744 -9.085 1.00 0.18 C ATOM 1987 C PHE B 38 -3.502 -2.777 -8.449 1.00 0.15 C ATOM 1988 O PHE B 38 -2.363 -2.952 -8.884 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.523 -0.490 -8.209 1.00 0.23 C ATOM 1990 CG PHE B 38 -3.190 0.109 -7.850 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.381 0.670 -8.824 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -2.751 0.112 -6.536 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -1.158 1.223 -8.492 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -1.530 0.662 -6.201 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.732 1.218 -7.179 1.00 0.14 C ATOM 0 H PHE B 38 -6.495 -1.856 -8.743 1.00 0.16 H new ATOM 0 HA PHE B 38 -4.016 -1.465 -10.054 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -5.118 0.261 -8.729 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -5.056 -0.739 -7.291 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.709 0.676 -9.853 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -3.371 -0.321 -5.765 1.00 0.28 H new ATOM 0 HE1 PHE B 38 -0.536 1.659 -9.260 1.00 0.36 H new ATOM 0 HE2 PHE B 38 -1.199 0.657 -5.173 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.224 1.648 -6.918 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.999 -3.473 -7.431 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.211 -4.487 -6.740 1.00 0.14 C ATOM 2007 C VAL B 39 -3.035 -5.718 -7.622 1.00 0.14 C ATOM 2008 O VAL B 39 -1.966 -6.329 -7.648 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.864 -4.901 -5.403 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -3.050 -5.981 -4.702 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -4.026 -3.694 -4.497 1.00 0.22 C ATOM 0 H VAL B 39 -4.944 -3.353 -7.067 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.236 -4.050 -6.525 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.849 -5.311 -5.625 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.535 -6.251 -3.764 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.984 -6.860 -5.343 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -2.048 -5.605 -4.497 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.488 -4.002 -3.559 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -3.048 -3.258 -4.294 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.659 -2.954 -4.987 1.00 0.22 H new ATOM 2021 N ASP B 40 -4.093 -6.067 -8.347 1.00 0.14 N ATOM 2022 CA ASP B 40 -4.069 -7.214 -9.251 1.00 0.21 C ATOM 2023 C ASP B 40 -2.939 -7.056 -10.263 1.00 0.27 C ATOM 2024 O ASP B 40 -2.124 -7.961 -10.460 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.413 -7.333 -9.978 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.649 -8.704 -10.585 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.987 -9.044 -11.585 1.00 0.32 O1- ATOM 2028 OD2 ASP B 40 -6.524 -9.437 -10.072 1.00 0.47 O ATOM 0 H ASP B 40 -4.983 -5.569 -8.326 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.899 -8.121 -8.671 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.218 -7.110 -9.278 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.459 -6.582 -10.766 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.873 -5.878 -10.871 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.853 -5.578 -11.869 1.00 0.37 C ATOM 2035 C ASP B 41 -0.475 -5.415 -11.232 1.00 0.32 C ATOM 2036 O ASP B 41 0.542 -5.729 -11.848 1.00 0.32 O ATOM 2037 CB ASP B 41 -2.223 -4.313 -12.645 1.00 0.46 C ATOM 2038 CG ASP B 41 -1.524 -4.237 -13.986 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -1.333 -5.298 -14.623 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 -1.172 -3.117 -14.411 1.00 0.92 O ATOM 0 H ASP B 41 -3.519 -5.110 -10.689 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.808 -6.422 -12.558 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -3.302 -4.286 -12.798 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -1.963 -3.436 -12.052 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.446 -4.938 -9.991 1.00 0.28 N ATOM 2046 CA LYS B 42 0.813 -4.741 -9.276 1.00 0.24 C ATOM 2047 C LYS B 42 1.551 -6.069 -9.104 1.00 0.20 C ATOM 2048 O LYS B 42 2.777 -6.122 -9.145 1.00 0.18 O ATOM 2049 CB LYS B 42 0.561 -4.101 -7.906 1.00 0.24 C ATOM 2050 CG LYS B 42 1.768 -3.374 -7.326 1.00 0.21 C ATOM 2051 CD LYS B 42 1.712 -1.874 -7.590 1.00 0.40 C ATOM 2052 CE LYS B 42 2.560 -1.479 -8.790 1.00 0.55 C ATOM 2053 NZ LYS B 42 4.015 -1.512 -8.482 1.00 0.48 N1+ ATOM 0 H LYS B 42 -1.278 -4.681 -9.460 1.00 0.28 H new ATOM 0 HA LYS B 42 1.435 -4.070 -9.868 1.00 0.24 H new ATOM 0 HB2 LYS B 42 -0.266 -3.397 -7.993 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.247 -4.876 -7.207 1.00 0.24 H new ATOM 0 HG2 LYS B 42 1.816 -3.551 -6.252 1.00 0.21 H new ATOM 0 HG3 LYS B 42 2.681 -3.784 -7.758 1.00 0.21 H new ATOM 0 HD2 LYS B 42 0.678 -1.573 -7.761 1.00 0.40 H new ATOM 0 HD3 LYS B 42 2.059 -1.336 -6.707 1.00 0.40 H new ATOM 0 HE2 LYS B 42 2.350 -2.154 -9.620 1.00 0.55 H new ATOM 0 HE3 LYS B 42 2.282 -0.477 -9.116 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.539 -1.842 -9.317 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 4.337 -0.557 -8.226 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 4.187 -2.160 -7.687 1.00 0.48 H new ATOM 2067 N MET B 43 0.795 -7.141 -8.917 1.00 0.21 N ATOM 2068 CA MET B 43 1.380 -8.470 -8.747 1.00 0.19 C ATOM 2069 C MET B 43 1.831 -9.043 -10.083 1.00 0.17 C ATOM 2070 O MET B 43 2.720 -9.890 -10.140 1.00 0.18 O ATOM 2071 CB MET B 43 0.384 -9.427 -8.090 1.00 0.24 C ATOM 2072 CG MET B 43 0.604 -9.612 -6.599 1.00 0.25 C ATOM 2073 SD MET B 43 -0.584 -10.752 -5.861 1.00 0.31 S ATOM 2074 CE MET B 43 -2.113 -9.857 -6.129 1.00 0.24 C ATOM 0 H MET B 43 -0.224 -7.120 -8.879 1.00 0.21 H new ATOM 0 HA MET B 43 2.249 -8.363 -8.097 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.627 -9.054 -8.255 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.450 -10.398 -8.581 1.00 0.24 H new ATOM 0 HG2 MET B 43 1.614 -9.984 -6.428 1.00 0.25 H new ATOM 0 HG3 MET B 43 0.532 -8.645 -6.102 1.00 0.25 H new ATOM 0 HE1 MET B 43 -2.937 -10.398 -5.665 1.00 0.24 H new ATOM 0 HE2 MET B 43 -2.036 -8.864 -5.687 1.00 0.24 H new ATOM 0 HE3 MET B 43 -2.297 -9.764 -7.199 1.00 0.24 H new ATOM 2084 N HIS B 44 1.229 -8.552 -11.160 1.00 0.16 N ATOM 2085 CA HIS B 44 1.551 -9.023 -12.504 1.00 0.19 C ATOM 2086 C HIS B 44 3.018 -8.773 -12.840 1.00 0.25 C ATOM 2087 O HIS B 44 3.698 -9.652 -13.370 1.00 0.61 O ATOM 2088 CB HIS B 44 0.674 -8.336 -13.559 1.00 0.26 C ATOM 2089 CG HIS B 44 -0.782 -8.691 -13.492 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -1.770 -7.864 -13.980 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -1.419 -9.783 -13.009 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -2.946 -8.429 -13.797 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -2.765 -9.596 -13.210 1.00 1.53 N ATOM 0 H HIS B 44 0.513 -7.826 -11.130 1.00 0.16 H new ATOM 0 HA HIS B 44 1.356 -10.095 -12.519 1.00 0.19 H new ATOM 0 HB2 HIS B 44 0.776 -7.256 -13.449 1.00 0.26 H new ATOM 0 HB3 HIS B 44 1.051 -8.593 -14.549 1.00 0.26 H new ATOM 0 HD1 HIS B 44 -1.615 -6.955 -14.416 1.00 0.54 H new ATOM 0 HD2 HIS B 44 -0.955 -10.643 -12.550 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -3.899 -8.007 -14.080 1.00 1.18 H new ATOM 2102 N GLU B 45 3.510 -7.584 -12.512 1.00 0.14 N ATOM 2103 CA GLU B 45 4.893 -7.228 -12.812 1.00 0.11 C ATOM 2104 C GLU B 45 5.882 -8.036 -11.973 1.00 0.07 C ATOM 2105 O GLU B 45 6.966 -8.381 -12.445 1.00 0.03 O ATOM 2106 CB GLU B 45 5.129 -5.726 -12.616 1.00 0.10 C ATOM 2107 CG GLU B 45 5.042 -5.250 -11.167 1.00 0.07 C ATOM 2108 CD GLU B 45 5.670 -3.883 -10.967 1.00 0.22 C ATOM 2109 OE1 GLU B 45 6.882 -3.740 -11.239 1.00 0.49 O ATOM 2110 OE2 GLU B 45 4.962 -2.949 -10.535 1.00 0.43 O1- ATOM 0 H GLU B 45 2.976 -6.854 -12.041 1.00 0.14 H new ATOM 0 HA GLU B 45 5.067 -7.474 -13.860 1.00 0.11 H new ATOM 0 HB2 GLU B 45 6.114 -5.472 -13.009 1.00 0.10 H new ATOM 0 HB3 GLU B 45 4.398 -5.177 -13.209 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.996 -5.214 -10.862 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.539 -5.973 -10.520 1.00 0.07 H new ATOM 2117 N PHE B 46 5.503 -8.353 -10.742 1.00 0.11 N ATOM 2118 CA PHE B 46 6.378 -9.109 -9.855 1.00 0.10 C ATOM 2119 C PHE B 46 6.346 -10.598 -10.175 1.00 0.10 C ATOM 2120 O PHE B 46 7.337 -11.301 -9.972 1.00 0.11 O ATOM 2121 CB PHE B 46 6.011 -8.866 -8.392 1.00 0.11 C ATOM 2122 CG PHE B 46 6.833 -7.784 -7.755 1.00 0.13 C ATOM 2123 CD1 PHE B 46 8.217 -7.865 -7.740 1.00 0.16 C ATOM 2124 CD2 PHE B 46 6.225 -6.687 -7.167 1.00 0.14 C ATOM 2125 CE1 PHE B 46 8.978 -6.875 -7.150 1.00 0.17 C ATOM 2126 CE2 PHE B 46 6.979 -5.695 -6.574 1.00 0.14 C ATOM 2127 CZ PHE B 46 8.359 -5.788 -6.565 1.00 0.15 C ATOM 0 H PHE B 46 4.602 -8.101 -10.337 1.00 0.11 H new ATOM 0 HA PHE B 46 7.396 -8.755 -10.019 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.956 -8.600 -8.327 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.141 -9.792 -7.832 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.706 -8.713 -8.196 1.00 0.16 H new ATOM 0 HD2 PHE B 46 5.148 -6.607 -7.173 1.00 0.14 H new ATOM 0 HE1 PHE B 46 10.055 -6.951 -7.146 1.00 0.17 H new ATOM 0 HE2 PHE B 46 6.492 -4.846 -6.117 1.00 0.14 H new ATOM 0 HZ PHE B 46 8.951 -5.013 -6.102 1.00 0.15 H new ATOM 2137 N SER B 47 5.216 -11.076 -10.686 1.00 0.09 N ATOM 2138 CA SER B 47 5.073 -12.480 -11.046 1.00 0.10 C ATOM 2139 C SER B 47 6.016 -12.824 -12.198 1.00 0.09 C ATOM 2140 O SER B 47 6.414 -13.973 -12.374 1.00 0.13 O ATOM 2141 CB SER B 47 3.621 -12.783 -11.432 1.00 0.13 C ATOM 2142 OG SER B 47 3.272 -14.122 -11.117 1.00 0.49 O ATOM 0 H SER B 47 4.386 -10.510 -10.860 1.00 0.09 H new ATOM 0 HA SER B 47 5.336 -13.094 -10.185 1.00 0.10 H new ATOM 0 HB2 SER B 47 2.953 -12.098 -10.909 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.483 -12.610 -12.499 1.00 0.13 H new ATOM 0 HG SER B 47 2.340 -14.286 -11.373 1.00 0.49 H new ATOM 2148 N GLU B 48 6.374 -11.808 -12.973 1.00 0.13 N ATOM 2149 CA GLU B 48 7.274 -11.979 -14.105 1.00 0.12 C ATOM 2150 C GLU B 48 8.729 -12.038 -13.637 1.00 0.09 C ATOM 2151 O GLU B 48 9.610 -12.522 -14.352 1.00 0.07 O ATOM 2152 CB GLU B 48 7.086 -10.823 -15.091 1.00 0.15 C ATOM 2153 CG GLU B 48 7.802 -11.020 -16.418 1.00 0.17 C ATOM 2154 CD GLU B 48 7.699 -9.809 -17.318 1.00 0.71 C ATOM 2155 OE1 GLU B 48 6.697 -9.693 -18.051 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 8.621 -8.968 -17.298 1.00 1.67 O ATOM 0 H GLU B 48 6.052 -10.850 -12.836 1.00 0.13 H new ATOM 0 HA GLU B 48 7.036 -12.920 -14.601 1.00 0.12 H new ATOM 0 HB2 GLU B 48 6.021 -10.690 -15.281 1.00 0.15 H new ATOM 0 HB3 GLU B 48 7.445 -9.903 -14.629 1.00 0.15 H new ATOM 0 HG2 GLU B 48 8.853 -11.241 -16.231 1.00 0.17 H new ATOM 0 HG3 GLU B 48 7.381 -11.885 -16.929 1.00 0.17 H new ATOM 2163 N LYS B 49 8.975 -11.551 -12.428 1.00 0.10 N ATOM 2164 CA LYS B 49 10.320 -11.535 -11.871 1.00 0.10 C ATOM 2165 C LYS B 49 10.626 -12.841 -11.151 1.00 0.15 C ATOM 2166 O LYS B 49 11.711 -13.398 -11.308 1.00 0.23 O ATOM 2167 CB LYS B 49 10.488 -10.355 -10.907 1.00 0.09 C ATOM 2168 CG LYS B 49 10.063 -9.012 -11.485 1.00 0.12 C ATOM 2169 CD LYS B 49 10.965 -8.574 -12.629 1.00 0.05 C ATOM 2170 CE LYS B 49 10.502 -7.259 -13.238 1.00 1.11 C ATOM 2171 NZ LYS B 49 10.696 -6.114 -12.309 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.260 -11.162 -11.814 1.00 0.10 H new ATOM 0 HA LYS B 49 11.023 -11.421 -12.696 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.906 -10.551 -10.006 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.533 -10.293 -10.604 1.00 0.09 H new ATOM 0 HG2 LYS B 49 9.034 -9.079 -11.839 1.00 0.12 H new ATOM 0 HG3 LYS B 49 10.081 -8.257 -10.699 1.00 0.12 H new ATOM 0 HD2 LYS B 49 11.987 -8.467 -12.266 1.00 0.05 H new ATOM 0 HD3 LYS B 49 10.979 -9.346 -13.398 1.00 0.05 H new ATOM 0 HE2 LYS B 49 11.052 -7.074 -14.161 1.00 1.11 H new ATOM 0 HE3 LYS B 49 9.448 -7.335 -13.505 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 10.431 -5.230 -12.788 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 10.099 -6.245 -11.468 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 11.694 -6.066 -12.021 1.00 1.14 H new ATOM 2185 N GLN B 50 9.656 -13.318 -10.366 1.00 0.20 N ATOM 2186 CA GLN B 50 9.796 -14.564 -9.606 1.00 0.30 C ATOM 2187 C GLN B 50 10.980 -14.494 -8.642 1.00 0.13 C ATOM 2188 O GLN B 50 12.034 -15.071 -8.897 1.00 0.29 O ATOM 2189 CB GLN B 50 9.966 -15.757 -10.549 1.00 0.53 C ATOM 2190 CG GLN B 50 8.717 -16.098 -11.340 1.00 1.05 C ATOM 2191 CD GLN B 50 9.013 -16.974 -12.541 1.00 1.30 C ATOM 2192 OE1 GLN B 50 10.084 -16.882 -13.144 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.073 -17.833 -12.890 1.00 1.60 N ATOM 0 H GLN B 50 8.756 -12.855 -10.239 1.00 0.20 H new ATOM 0 HA GLN B 50 8.884 -14.698 -9.024 1.00 0.30 H new ATOM 0 HB2 GLN B 50 10.778 -15.545 -11.244 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.265 -16.629 -9.966 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.006 -16.607 -10.689 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.240 -15.177 -11.675 1.00 1.05 H new ATOM 0 HE21 GLN B 50 7.201 -17.876 -12.363 1.00 1.60 H new ATOM 0 HE22 GLN B 50 8.219 -18.453 -13.686 1.00 1.60 H new ATOM 2202 N PRO B 51 10.825 -13.781 -7.515 1.00 0.16 N ATOM 2203 CA PRO B 51 11.890 -13.632 -6.523 1.00 0.27 C ATOM 2204 C PRO B 51 12.103 -14.892 -5.689 1.00 0.20 C ATOM 2205 O PRO B 51 13.172 -15.497 -5.720 1.00 0.19 O ATOM 2206 CB PRO B 51 11.409 -12.481 -5.626 1.00 0.48 C ATOM 2207 CG PRO B 51 10.149 -11.965 -6.246 1.00 0.51 C ATOM 2208 CD PRO B 51 9.615 -13.058 -7.122 1.00 0.41 C ATOM 0 HA PRO B 51 12.849 -13.442 -7.004 1.00 0.27 H new ATOM 0 HB2 PRO B 51 11.228 -12.830 -4.609 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.162 -11.695 -5.564 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.423 -11.696 -5.479 1.00 0.51 H new ATOM 0 HG3 PRO B 51 10.346 -11.065 -6.828 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.916 -13.701 -6.586 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.083 -12.660 -7.986 1.00 0.41 H new ATOM 2216 N MET B 52 11.077 -15.285 -4.946 1.00 0.17 N ATOM 2217 CA MET B 52 11.166 -16.464 -4.091 1.00 0.11 C ATOM 2218 C MET B 52 10.359 -17.624 -4.665 1.00 0.09 C ATOM 2219 O MET B 52 10.294 -18.695 -4.066 1.00 0.08 O ATOM 2220 CB MET B 52 10.676 -16.131 -2.676 1.00 0.12 C ATOM 2221 CG MET B 52 11.361 -14.919 -2.059 1.00 0.18 C ATOM 2222 SD MET B 52 13.142 -15.139 -1.897 1.00 0.26 S ATOM 2223 CE MET B 52 13.633 -13.511 -1.335 1.00 0.43 C ATOM 0 H MET B 52 10.176 -14.808 -4.917 1.00 0.17 H new ATOM 0 HA MET B 52 12.212 -16.768 -4.045 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.601 -15.953 -2.706 1.00 0.12 H new ATOM 0 HB3 MET B 52 10.838 -16.996 -2.032 1.00 0.12 H new ATOM 0 HG2 MET B 52 11.161 -14.041 -2.674 1.00 0.18 H new ATOM 0 HG3 MET B 52 10.932 -14.724 -1.076 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.246 -13.032 -2.098 1.00 0.43 H new ATOM 0 HE2 MET B 52 12.745 -12.906 -1.151 1.00 0.43 H new ATOM 0 HE3 MET B 52 14.207 -13.602 -0.413 1.00 0.43 H new ATOM 2233 N LEU B 53 9.751 -17.395 -5.832 1.00 0.10 N ATOM 2234 CA LEU B 53 8.942 -18.415 -6.509 1.00 0.11 C ATOM 2235 C LEU B 53 7.874 -18.986 -5.577 1.00 0.08 C ATOM 2236 O LEU B 53 7.785 -20.200 -5.387 1.00 0.10 O ATOM 2237 CB LEU B 53 9.834 -19.541 -7.042 1.00 0.19 C ATOM 2238 CG LEU B 53 10.644 -19.191 -8.292 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.872 -20.079 -8.400 1.00 0.62 C ATOM 2240 CD2 LEU B 53 9.780 -19.337 -9.533 1.00 1.07 C ATOM 0 H LEU B 53 9.804 -16.507 -6.331 1.00 0.10 H new ATOM 0 HA LEU B 53 8.438 -17.935 -7.348 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.524 -19.841 -6.253 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.208 -20.405 -7.264 1.00 0.19 H new ATOM 0 HG LEU B 53 10.974 -18.155 -8.211 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.435 -19.815 -9.295 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.501 -19.938 -7.521 1.00 0.62 H new ATOM 0 HD13 LEU B 53 11.562 -21.122 -8.461 1.00 0.62 H new ATOM 0 HD21 LEU B 53 10.367 -19.085 -10.416 1.00 1.07 H new ATOM 0 HD22 LEU B 53 9.428 -20.365 -9.612 1.00 1.07 H new ATOM 0 HD23 LEU B 53 8.925 -18.665 -9.462 1.00 1.07 H new ATOM 2252 N ASP B 54 7.071 -18.107 -4.997 1.00 0.09 N ATOM 2253 CA ASP B 54 6.016 -18.522 -4.086 1.00 0.12 C ATOM 2254 C ASP B 54 4.931 -17.452 -4.025 1.00 0.10 C ATOM 2255 O ASP B 54 5.227 -16.257 -4.088 1.00 0.18 O ATOM 2256 CB ASP B 54 6.593 -18.781 -2.695 1.00 0.19 C ATOM 2257 CG ASP B 54 5.648 -19.566 -1.804 1.00 0.24 C ATOM 2258 OD1 ASP B 54 4.679 -20.156 -2.326 1.00 0.26 O ATOM 2259 OD2 ASP B 54 5.872 -19.597 -0.576 1.00 0.28 O1- ATOM 0 H ASP B 54 7.130 -17.099 -5.142 1.00 0.09 H new ATOM 0 HA ASP B 54 5.573 -19.448 -4.453 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.532 -19.327 -2.792 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.826 -17.828 -2.220 1.00 0.19 H new ATOM 2264 N VAL B 55 3.685 -17.888 -3.885 1.00 0.11 N ATOM 2265 CA VAL B 55 2.534 -16.981 -3.843 1.00 0.12 C ATOM 2266 C VAL B 55 2.582 -15.995 -2.660 1.00 0.08 C ATOM 2267 O VAL B 55 2.520 -14.782 -2.877 1.00 0.04 O ATOM 2268 CB VAL B 55 1.200 -17.763 -3.810 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.015 -16.820 -3.933 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.165 -18.812 -4.914 1.00 0.32 C ATOM 0 H VAL B 55 3.440 -18.874 -3.797 1.00 0.11 H new ATOM 0 HA VAL B 55 2.590 -16.396 -4.761 1.00 0.12 H new ATOM 0 HB VAL B 55 1.131 -18.272 -2.849 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.911 -17.394 -3.907 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.026 -16.112 -3.105 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.079 -16.277 -4.876 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.219 -19.351 -4.874 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.263 -18.323 -5.883 1.00 0.32 H new ATOM 0 HG23 VAL B 55 1.988 -19.513 -4.776 1.00 0.32 H new ATOM 2280 N PRO B 56 2.704 -16.467 -1.396 1.00 0.10 N ATOM 2281 CA PRO B 56 2.738 -15.569 -0.234 1.00 0.10 C ATOM 2282 C PRO B 56 3.909 -14.597 -0.273 1.00 0.07 C ATOM 2283 O PRO B 56 3.803 -13.464 0.196 1.00 0.14 O ATOM 2284 CB PRO B 56 2.869 -16.514 0.966 1.00 0.14 C ATOM 2285 CG PRO B 56 3.370 -17.795 0.402 1.00 0.15 C ATOM 2286 CD PRO B 56 2.814 -17.880 -0.992 1.00 0.14 C ATOM 0 HA PRO B 56 1.849 -14.939 -0.198 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.560 -16.114 1.708 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.910 -16.652 1.465 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.460 -17.816 0.389 1.00 0.15 H new ATOM 0 HG3 PRO B 56 3.042 -18.642 1.005 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.474 -18.439 -1.656 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.846 -18.381 -1.010 1.00 0.14 H new ATOM 2294 N LYS B 57 5.014 -15.036 -0.855 1.00 0.09 N ATOM 2295 CA LYS B 57 6.204 -14.207 -0.950 1.00 0.06 C ATOM 2296 C LYS B 57 6.023 -13.111 -1.998 1.00 0.07 C ATOM 2297 O LYS B 57 6.733 -12.108 -1.993 1.00 0.12 O ATOM 2298 CB LYS B 57 7.429 -15.063 -1.282 1.00 0.12 C ATOM 2299 CG LYS B 57 8.047 -15.760 -0.071 1.00 0.17 C ATOM 2300 CD LYS B 57 7.145 -16.858 0.471 1.00 0.47 C ATOM 2301 CE LYS B 57 7.879 -17.755 1.451 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.100 -18.988 1.757 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.111 -15.963 -1.269 1.00 0.09 H new ATOM 0 HA LYS B 57 6.362 -13.731 0.018 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.144 -15.817 -2.016 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.185 -14.432 -1.750 1.00 0.12 H new ATOM 0 HG2 LYS B 57 9.011 -16.186 -0.350 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.237 -15.026 0.712 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.282 -16.410 0.964 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.764 -17.457 -0.356 1.00 0.47 H new ATOM 0 HE2 LYS B 57 8.849 -18.030 1.037 1.00 0.23 H new ATOM 0 HE3 LYS B 57 8.070 -17.207 2.373 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.702 -19.659 2.276 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 6.275 -18.741 2.340 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 6.779 -19.425 0.870 1.00 0.62 H new ATOM 2316 N LEU B 58 5.061 -13.309 -2.891 1.00 0.07 N ATOM 2317 CA LEU B 58 4.774 -12.339 -3.939 1.00 0.11 C ATOM 2318 C LEU B 58 3.719 -11.345 -3.462 1.00 0.11 C ATOM 2319 O LEU B 58 3.795 -10.146 -3.748 1.00 0.14 O ATOM 2320 CB LEU B 58 4.283 -13.056 -5.198 1.00 0.14 C ATOM 2321 CG LEU B 58 4.501 -12.296 -6.506 1.00 0.16 C ATOM 2322 CD1 LEU B 58 5.869 -12.622 -7.082 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.403 -12.620 -7.510 1.00 0.27 C ATOM 0 H LEU B 58 4.465 -14.136 -2.910 1.00 0.07 H new ATOM 0 HA LEU B 58 5.690 -11.796 -4.174 1.00 0.11 H new ATOM 0 HB2 LEU B 58 4.787 -14.020 -5.268 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.218 -13.261 -5.088 1.00 0.14 H new ATOM 0 HG LEU B 58 4.459 -11.227 -6.295 1.00 0.16 H new ATOM 0 HD11 LEU B 58 6.012 -12.074 -8.013 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.642 -12.334 -6.370 1.00 0.17 H new ATOM 0 HD13 LEU B 58 5.936 -13.692 -7.277 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.579 -12.068 -8.433 1.00 0.27 H new ATOM 0 HD22 LEU B 58 3.407 -13.689 -7.721 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.436 -12.335 -7.096 1.00 0.27 H new ATOM 2335 N ALA B 59 2.745 -11.857 -2.717 1.00 0.08 N ATOM 2336 CA ALA B 59 1.657 -11.041 -2.193 1.00 0.09 C ATOM 2337 C ALA B 59 2.156 -10.025 -1.169 1.00 0.14 C ATOM 2338 O ALA B 59 1.679 -8.894 -1.124 1.00 0.31 O ATOM 2339 CB ALA B 59 0.589 -11.933 -1.578 1.00 0.07 C ATOM 0 H ALA B 59 2.688 -12.843 -2.461 1.00 0.08 H new ATOM 0 HA ALA B 59 1.226 -10.483 -3.024 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.221 -11.316 -1.189 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.197 -12.608 -2.338 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.024 -12.515 -0.766 1.00 0.07 H new ATOM 2345 N VAL B 60 3.115 -10.428 -0.347 1.00 0.02 N ATOM 2346 CA VAL B 60 3.668 -9.528 0.660 1.00 0.05 C ATOM 2347 C VAL B 60 4.652 -8.549 0.019 1.00 0.08 C ATOM 2348 O VAL B 60 4.843 -7.430 0.501 1.00 0.12 O ATOM 2349 CB VAL B 60 4.371 -10.303 1.803 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.598 -11.047 1.299 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.747 -9.361 2.938 1.00 0.13 C ATOM 0 H VAL B 60 3.524 -11.362 -0.355 1.00 0.02 H new ATOM 0 HA VAL B 60 2.834 -8.975 1.092 1.00 0.05 H new ATOM 0 HB VAL B 60 3.666 -11.043 2.183 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.066 -11.579 2.127 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.301 -11.761 0.531 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.308 -10.335 0.878 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.239 -9.925 3.731 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.424 -8.593 2.564 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.847 -8.890 3.333 1.00 0.13 H new ATOM 2361 N LEU B 61 5.243 -8.969 -1.093 1.00 0.08 N ATOM 2362 CA LEU B 61 6.214 -8.149 -1.800 1.00 0.11 C ATOM 2363 C LEU B 61 5.537 -6.945 -2.443 1.00 0.11 C ATOM 2364 O LEU B 61 6.116 -5.864 -2.533 1.00 0.13 O ATOM 2365 CB LEU B 61 6.927 -8.985 -2.862 1.00 0.13 C ATOM 2366 CG LEU B 61 8.239 -8.405 -3.388 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.284 -8.345 -2.288 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.749 -9.238 -4.551 1.00 0.17 C ATOM 0 H LEU B 61 5.065 -9.876 -1.524 1.00 0.08 H new ATOM 0 HA LEU B 61 6.948 -7.784 -1.082 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.128 -9.973 -2.447 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.249 -9.125 -3.704 1.00 0.13 H new ATOM 0 HG LEU B 61 8.050 -7.389 -3.734 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.209 -7.929 -2.687 1.00 0.17 H new ATOM 0 HD12 LEU B 61 8.922 -7.714 -1.477 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.472 -9.350 -1.910 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.684 -8.816 -4.918 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.919 -10.262 -4.218 1.00 0.17 H new ATOM 0 HD23 LEU B 61 8.010 -9.235 -5.352 1.00 0.17 H new ATOM 2380 N THR B 62 4.305 -7.134 -2.882 1.00 0.10 N ATOM 2381 CA THR B 62 3.553 -6.059 -3.502 1.00 0.09 C ATOM 2382 C THR B 62 3.049 -5.085 -2.446 1.00 0.09 C ATOM 2383 O THR B 62 3.052 -3.872 -2.656 1.00 0.08 O ATOM 2384 CB THR B 62 2.360 -6.606 -4.303 1.00 0.10 C ATOM 2385 OG1 THR B 62 1.999 -7.900 -3.806 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.690 -6.710 -5.781 1.00 0.12 C ATOM 0 H THR B 62 3.805 -8.021 -2.820 1.00 0.10 H new ATOM 0 HA THR B 62 4.224 -5.538 -4.186 1.00 0.09 H new ATOM 0 HB THR B 62 1.527 -5.913 -4.184 1.00 0.10 H new ATOM 0 HG1 THR B 62 1.894 -7.859 -2.833 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.827 -7.100 -6.320 1.00 0.12 H new ATOM 0 HG22 THR B 62 2.944 -5.723 -6.167 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.537 -7.382 -5.918 1.00 0.12 H new ATOM 2394 N ALA B 63 2.637 -5.631 -1.305 1.00 0.10 N ATOM 2395 CA ALA B 63 2.132 -4.833 -0.199 1.00 0.11 C ATOM 2396 C ALA B 63 3.176 -3.824 0.272 1.00 0.11 C ATOM 2397 O ALA B 63 2.884 -2.641 0.437 1.00 0.12 O ATOM 2398 CB ALA B 63 1.721 -5.737 0.954 1.00 0.10 C ATOM 0 H ALA B 63 2.645 -6.635 -1.124 1.00 0.10 H new ATOM 0 HA ALA B 63 1.260 -4.281 -0.549 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.344 -5.129 1.777 1.00 0.10 H new ATOM 0 HB2 ALA B 63 0.940 -6.420 0.620 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.584 -6.311 1.292 1.00 0.10 H new ATOM 2404 N VAL B 64 4.404 -4.298 0.460 1.00 0.09 N ATOM 2405 CA VAL B 64 5.486 -3.441 0.921 1.00 0.10 C ATOM 2406 C VAL B 64 5.921 -2.456 -0.171 1.00 0.12 C ATOM 2407 O VAL B 64 6.371 -1.348 0.127 1.00 0.12 O ATOM 2408 CB VAL B 64 6.687 -4.277 1.421 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.414 -4.961 0.273 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.642 -3.419 2.236 1.00 0.11 C ATOM 0 H VAL B 64 4.672 -5.269 0.300 1.00 0.09 H new ATOM 0 HA VAL B 64 5.108 -2.860 1.762 1.00 0.10 H new ATOM 0 HB VAL B 64 6.293 -5.060 2.069 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.251 -5.538 0.665 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.726 -5.627 -0.248 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.786 -4.208 -0.422 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.479 -4.029 2.577 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.016 -2.603 1.618 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.117 -3.009 3.099 1.00 0.11 H new ATOM 2420 N GLN B 65 5.757 -2.850 -1.429 1.00 0.15 N ATOM 2421 CA GLN B 65 6.127 -1.986 -2.545 1.00 0.19 C ATOM 2422 C GLN B 65 5.152 -0.818 -2.653 1.00 0.13 C ATOM 2423 O GLN B 65 5.565 0.338 -2.758 1.00 0.16 O ATOM 2424 CB GLN B 65 6.145 -2.768 -3.860 1.00 0.34 C ATOM 2425 CG GLN B 65 6.741 -1.974 -5.020 1.00 0.57 C ATOM 2426 CD GLN B 65 6.268 -2.471 -6.371 1.00 0.79 C ATOM 2427 OE1 GLN B 65 5.167 -3.011 -6.497 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.090 -2.294 -7.393 1.00 0.80 N ATOM 0 H GLN B 65 5.373 -3.755 -1.701 1.00 0.15 H new ATOM 0 HA GLN B 65 7.130 -1.602 -2.357 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.718 -3.685 -3.723 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.127 -3.063 -4.114 1.00 0.34 H new ATOM 0 HG2 GLN B 65 6.475 -0.923 -4.910 1.00 0.57 H new ATOM 0 HG3 GLN B 65 7.828 -2.034 -4.975 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.993 -1.843 -7.249 1.00 0.80 H new ATOM 0 HE22 GLN B 65 6.820 -2.609 -8.325 1.00 0.80 H new ATOM 2437 N ILE B 66 3.859 -1.134 -2.610 1.00 0.15 N ATOM 2438 CA ILE B 66 2.816 -0.117 -2.691 1.00 0.16 C ATOM 2439 C ILE B 66 2.974 0.891 -1.558 1.00 0.11 C ATOM 2440 O ILE B 66 2.814 2.096 -1.754 1.00 0.27 O ATOM 2441 CB ILE B 66 1.407 -0.749 -2.635 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.165 -1.596 -3.890 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.337 0.330 -2.497 1.00 0.89 C ATOM 2444 CD1 ILE B 66 -0.070 -2.471 -3.812 1.00 1.38 C ATOM 0 H ILE B 66 3.510 -2.088 -2.519 1.00 0.15 H new ATOM 0 HA ILE B 66 2.923 0.393 -3.648 1.00 0.16 H new ATOM 0 HB ILE B 66 1.347 -1.395 -1.759 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.075 -0.934 -4.751 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.036 -2.228 -4.063 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.647 -0.136 -2.459 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.506 0.895 -1.580 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.387 1.003 -3.353 1.00 0.89 H new ATOM 0 HD11 ILE B 66 -0.173 -3.039 -4.737 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.024 -3.159 -2.972 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.951 -1.845 -3.671 1.00 1.38 H new ATOM 2456 N ALA B 67 3.314 0.387 -0.375 1.00 0.16 N ATOM 2457 CA ALA B 67 3.515 1.236 0.787 1.00 0.13 C ATOM 2458 C ALA B 67 4.616 2.256 0.513 1.00 0.06 C ATOM 2459 O ALA B 67 4.464 3.434 0.814 1.00 0.09 O ATOM 2460 CB ALA B 67 3.854 0.392 2.008 1.00 0.16 C ATOM 0 H ALA B 67 3.455 -0.608 -0.199 1.00 0.16 H new ATOM 0 HA ALA B 67 2.590 1.775 0.991 1.00 0.13 H new ATOM 0 HB1 ALA B 67 4.002 1.042 2.870 1.00 0.16 H new ATOM 0 HB2 ALA B 67 3.036 -0.299 2.211 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.767 -0.172 1.818 1.00 0.16 H new ATOM 2466 N SER B 68 5.707 1.796 -0.090 1.00 0.08 N ATOM 2467 CA SER B 68 6.836 2.665 -0.409 1.00 0.06 C ATOM 2468 C SER B 68 6.474 3.650 -1.528 1.00 0.16 C ATOM 2469 O SER B 68 6.968 4.788 -1.561 1.00 0.21 O ATOM 2470 CB SER B 68 8.047 1.816 -0.818 1.00 0.06 C ATOM 2471 OG SER B 68 9.221 2.608 -0.944 1.00 0.28 O ATOM 0 H SER B 68 5.834 0.823 -0.369 1.00 0.08 H new ATOM 0 HA SER B 68 7.088 3.244 0.480 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.212 1.035 -0.076 1.00 0.06 H new ATOM 0 HB3 SER B 68 7.840 1.318 -1.765 1.00 0.06 H new ATOM 0 HG SER B 68 9.974 2.037 -1.204 1.00 0.28 H new ATOM 2477 N GLU B 69 5.610 3.214 -2.437 1.00 0.26 N ATOM 2478 CA GLU B 69 5.179 4.047 -3.554 1.00 0.35 C ATOM 2479 C GLU B 69 4.315 5.214 -3.079 1.00 0.24 C ATOM 2480 O GLU B 69 4.404 6.319 -3.609 1.00 0.18 O ATOM 2481 CB GLU B 69 4.400 3.214 -4.583 1.00 0.52 C ATOM 2482 CG GLU B 69 5.278 2.351 -5.485 1.00 0.44 C ATOM 2483 CD GLU B 69 4.505 1.714 -6.633 1.00 1.20 C ATOM 2484 OE1 GLU B 69 3.529 2.328 -7.113 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 4.881 0.597 -7.066 1.00 1.71 O ATOM 0 H GLU B 69 5.192 2.284 -2.422 1.00 0.26 H new ATOM 0 HA GLU B 69 6.076 4.450 -4.024 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.698 2.569 -4.055 1.00 0.52 H new ATOM 0 HB3 GLU B 69 3.810 3.886 -5.206 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.084 2.962 -5.892 1.00 0.44 H new ATOM 0 HG3 GLU B 69 5.743 1.567 -4.888 1.00 0.44 H new ATOM 2492 N TYR B 70 3.495 4.975 -2.061 1.00 0.23 N ATOM 2493 CA TYR B 70 2.600 6.008 -1.550 1.00 0.15 C ATOM 2494 C TYR B 70 3.163 6.746 -0.334 1.00 0.08 C ATOM 2495 O TYR B 70 2.782 7.886 -0.069 1.00 0.12 O ATOM 2496 CB TYR B 70 1.242 5.396 -1.205 1.00 0.24 C ATOM 2497 CG TYR B 70 0.388 5.105 -2.420 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.588 3.957 -3.174 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.608 5.986 -2.816 1.00 0.57 C ATOM 2500 CE1 TYR B 70 -0.183 3.691 -4.288 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.384 5.727 -3.930 1.00 0.56 C ATOM 2502 CZ TYR B 70 -1.166 4.578 -4.663 1.00 0.50 C ATOM 2503 OH TYR B 70 -1.931 4.319 -5.774 1.00 0.59 O ATOM 0 H TYR B 70 3.431 4.080 -1.575 1.00 0.23 H new ATOM 0 HA TYR B 70 2.490 6.748 -2.343 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.399 4.471 -0.650 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.703 6.076 -0.545 1.00 0.24 H new ATOM 0 HD1 TYR B 70 1.360 3.260 -2.884 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -0.779 6.887 -2.246 1.00 0.57 H new ATOM 0 HE1 TYR B 70 -0.016 2.792 -4.862 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.157 6.420 -4.226 1.00 0.56 H new ATOM 0 HH TYR B 70 -1.626 3.488 -6.195 1.00 0.59 H new ATOM 2513 N LEU B 71 4.066 6.111 0.405 1.00 0.09 N ATOM 2514 CA LEU B 71 4.652 6.734 1.594 1.00 0.17 C ATOM 2515 C LEU B 71 5.400 8.013 1.232 1.00 0.22 C ATOM 2516 O LEU B 71 5.373 8.992 1.973 1.00 0.26 O ATOM 2517 CB LEU B 71 5.597 5.761 2.302 1.00 0.24 C ATOM 2518 CG LEU B 71 6.113 6.216 3.682 1.00 0.27 C ATOM 2519 CD1 LEU B 71 4.972 6.383 4.677 1.00 0.32 C ATOM 2520 CD2 LEU B 71 7.142 5.238 4.234 1.00 0.32 C ATOM 0 H LEU B 71 4.409 5.171 0.206 1.00 0.09 H new ATOM 0 HA LEU B 71 3.836 6.991 2.270 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.083 4.807 2.423 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.455 5.581 1.655 1.00 0.24 H new ATOM 0 HG LEU B 71 6.591 7.185 3.541 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.372 6.704 5.639 1.00 0.32 H new ATOM 0 HD12 LEU B 71 4.273 7.132 4.306 1.00 0.32 H new ATOM 0 HD13 LEU B 71 4.454 5.432 4.799 1.00 0.32 H new ATOM 0 HD21 LEU B 71 7.488 5.585 5.208 1.00 0.32 H new ATOM 0 HD22 LEU B 71 6.687 4.253 4.340 1.00 0.32 H new ATOM 0 HD23 LEU B 71 7.988 5.175 3.550 1.00 0.32 H new ATOM 2532 N LYS B 72 6.059 8.001 0.082 1.00 0.23 N ATOM 2533 CA LYS B 72 6.811 9.167 -0.376 1.00 0.27 C ATOM 2534 C LYS B 72 5.876 10.327 -0.713 1.00 0.24 C ATOM 2535 O LYS B 72 6.273 11.492 -0.654 1.00 0.29 O ATOM 2536 CB LYS B 72 7.670 8.814 -1.597 1.00 0.31 C ATOM 2537 CG LYS B 72 6.888 8.185 -2.743 1.00 0.38 C ATOM 2538 CD LYS B 72 7.655 8.242 -4.054 1.00 0.40 C ATOM 2539 CE LYS B 72 9.022 7.589 -3.923 1.00 0.52 C ATOM 2540 NZ LYS B 72 8.941 6.173 -3.449 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.090 7.202 -0.551 1.00 0.23 H new ATOM 0 HA LYS B 72 7.467 9.478 0.437 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.159 9.719 -1.958 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.458 8.127 -1.288 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.661 7.147 -2.500 1.00 0.38 H new ATOM 0 HG3 LYS B 72 5.935 8.701 -2.858 1.00 0.38 H new ATOM 0 HD2 LYS B 72 7.083 7.740 -4.835 1.00 0.40 H new ATOM 0 HD3 LYS B 72 7.774 9.280 -4.364 1.00 0.40 H new ATOM 0 HE2 LYS B 72 9.527 7.617 -4.888 1.00 0.52 H new ATOM 0 HE3 LYS B 72 9.631 8.167 -3.228 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 9.901 5.792 -3.328 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 8.438 6.140 -2.539 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.427 5.601 -4.149 1.00 0.58 H new ATOM 2554 N LEU B 73 4.631 10.002 -1.044 1.00 0.17 N ATOM 2555 CA LEU B 73 3.642 11.014 -1.393 1.00 0.14 C ATOM 2556 C LEU B 73 3.198 11.769 -0.142 1.00 0.11 C ATOM 2557 O LEU B 73 3.167 12.999 -0.127 1.00 0.09 O ATOM 2558 CB LEU B 73 2.432 10.357 -2.089 1.00 0.13 C ATOM 2559 CG LEU B 73 1.567 11.263 -2.993 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.786 12.287 -2.185 1.00 0.08 C ATOM 2561 CD2 LEU B 73 2.410 11.962 -4.047 1.00 0.15 C ATOM 0 H LEU B 73 4.283 9.044 -1.078 1.00 0.17 H new ATOM 0 HA LEU B 73 4.093 11.726 -2.084 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.798 9.526 -2.693 1.00 0.13 H new ATOM 0 HB3 LEU B 73 1.788 9.932 -1.319 1.00 0.13 H new ATOM 0 HG LEU B 73 0.852 10.612 -3.497 1.00 0.12 H new ATOM 0 HD11 LEU B 73 0.191 12.904 -2.858 1.00 0.08 H new ATOM 0 HD12 LEU B 73 0.127 11.773 -1.486 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.480 12.919 -1.631 1.00 0.08 H new ATOM 0 HD21 LEU B 73 1.770 12.591 -4.666 1.00 0.15 H new ATOM 0 HD22 LEU B 73 3.164 12.580 -3.559 1.00 0.15 H new ATOM 0 HD23 LEU B 73 2.901 11.217 -4.673 1.00 0.15 H new ATOM 2573 N LYS B 74 2.876 11.031 0.918 1.00 0.11 N ATOM 2574 CA LYS B 74 2.438 11.658 2.158 1.00 0.10 C ATOM 2575 C LYS B 74 3.595 12.426 2.803 1.00 0.13 C ATOM 2576 O LYS B 74 3.384 13.335 3.610 1.00 0.13 O ATOM 2577 CB LYS B 74 1.858 10.620 3.132 1.00 0.12 C ATOM 2578 CG LYS B 74 2.882 9.649 3.708 1.00 0.20 C ATOM 2579 CD LYS B 74 3.134 9.897 5.191 1.00 0.28 C ATOM 2580 CE LYS B 74 1.993 9.376 6.056 1.00 0.32 C ATOM 2581 NZ LYS B 74 2.296 9.494 7.508 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.910 10.012 0.942 1.00 0.11 H new ATOM 0 HA LYS B 74 1.643 12.365 1.919 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.372 11.145 3.954 1.00 0.12 H new ATOM 0 HB3 LYS B 74 1.085 10.049 2.617 1.00 0.12 H new ATOM 0 HG2 LYS B 74 2.532 8.627 3.566 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.820 9.744 3.160 1.00 0.20 H new ATOM 0 HD2 LYS B 74 4.064 9.413 5.487 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.262 10.966 5.364 1.00 0.28 H new ATOM 0 HE2 LYS B 74 1.083 9.932 5.829 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.799 8.332 5.810 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 1.494 9.129 8.061 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.150 8.943 7.730 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 2.456 10.493 7.749 1.00 0.43 H new ATOM 2595 N GLU B 75 4.817 12.059 2.429 1.00 0.17 N ATOM 2596 CA GLU B 75 6.011 12.710 2.945 1.00 0.20 C ATOM 2597 C GLU B 75 6.125 14.128 2.391 1.00 0.16 C ATOM 2598 O GLU B 75 6.201 15.096 3.150 1.00 0.20 O ATOM 2599 CB GLU B 75 7.254 11.896 2.577 1.00 0.27 C ATOM 2600 CG GLU B 75 8.530 12.392 3.232 1.00 0.36 C ATOM 2601 CD GLU B 75 8.436 12.431 4.743 1.00 0.45 C ATOM 2602 OE1 GLU B 75 8.054 11.408 5.347 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 8.743 13.483 5.333 1.00 0.55 O ATOM 0 H GLU B 75 5.004 11.308 1.765 1.00 0.17 H new ATOM 0 HA GLU B 75 5.936 12.767 4.031 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.092 10.856 2.860 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.382 11.915 1.495 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.358 11.746 2.940 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.759 13.391 2.861 1.00 0.36 H new ATOM 2610 N GLU B 76 6.111 14.247 1.066 1.00 0.13 N ATOM 2611 CA GLU B 76 6.212 15.548 0.419 1.00 0.11 C ATOM 2612 C GLU B 76 4.982 16.391 0.733 1.00 0.08 C ATOM 2613 O GLU B 76 5.065 17.617 0.822 1.00 0.08 O ATOM 2614 CB GLU B 76 6.391 15.395 -1.094 1.00 0.17 C ATOM 2615 CG GLU B 76 5.144 14.930 -1.836 1.00 0.18 C ATOM 2616 CD GLU B 76 5.238 15.168 -3.326 1.00 0.21 C ATOM 2617 OE1 GLU B 76 5.307 16.344 -3.739 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 5.254 14.185 -4.092 1.00 0.20 O ATOM 0 H GLU B 76 6.031 13.460 0.423 1.00 0.13 H new ATOM 0 HA GLU B 76 7.092 16.058 0.811 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.708 16.352 -1.508 1.00 0.17 H new ATOM 0 HB3 GLU B 76 7.196 14.684 -1.281 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.989 13.867 -1.650 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.273 15.454 -1.441 1.00 0.18 H new ATOM 2625 N TYR B 77 3.846 15.714 0.911 1.00 0.07 N ATOM 2626 CA TYR B 77 2.586 16.370 1.234 1.00 0.11 C ATOM 2627 C TYR B 77 2.733 17.225 2.485 1.00 0.13 C ATOM 2628 O TYR B 77 2.235 18.347 2.547 1.00 0.22 O ATOM 2629 CB TYR B 77 1.486 15.322 1.438 1.00 0.13 C ATOM 2630 CG TYR B 77 0.190 15.882 1.990 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.497 16.889 1.325 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -0.341 15.400 3.179 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -1.679 17.401 1.825 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -1.523 15.906 3.688 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.190 16.906 3.008 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.371 17.416 3.515 1.00 0.23 O ATOM 0 H TYR B 77 3.778 14.699 0.835 1.00 0.07 H new ATOM 0 HA TYR B 77 2.310 17.019 0.403 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.282 14.836 0.484 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.854 14.552 2.116 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.100 17.279 0.400 1.00 0.12 H new ATOM 0 HD2 TYR B 77 0.177 14.618 3.714 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -2.200 18.184 1.294 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -1.923 15.521 4.614 1.00 0.25 H new ATOM 0 HH TYR B 77 -3.966 16.678 3.764 1.00 0.23 H new ATOM 2646 N GLN B 78 3.433 16.694 3.471 1.00 0.22 N ATOM 2647 CA GLN B 78 3.647 17.402 4.721 1.00 0.30 C ATOM 2648 C GLN B 78 4.667 18.522 4.557 1.00 0.37 C ATOM 2649 O GLN B 78 4.457 19.635 5.033 1.00 0.84 O ATOM 2650 CB GLN B 78 4.124 16.430 5.800 1.00 0.28 C ATOM 2651 CG GLN B 78 3.017 15.564 6.380 1.00 0.17 C ATOM 2652 CD GLN B 78 2.050 16.351 7.242 1.00 0.26 C ATOM 2653 OE1 GLN B 78 2.280 16.554 8.433 1.00 0.53 O ATOM 2654 NE2 GLN B 78 0.953 16.786 6.643 1.00 0.24 N ATOM 0 H GLN B 78 3.865 15.771 3.430 1.00 0.22 H new ATOM 0 HA GLN B 78 2.697 17.844 5.020 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.895 15.784 5.379 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.589 16.997 6.606 1.00 0.28 H new ATOM 0 HG2 GLN B 78 2.469 15.089 5.566 1.00 0.17 H new ATOM 0 HG3 GLN B 78 3.460 14.765 6.975 1.00 0.17 H new ATOM 0 HE21 GLN B 78 0.803 16.595 5.652 1.00 0.24 H new ATOM 0 HE22 GLN B 78 0.258 17.313 7.172 1.00 0.24 H new ATOM 2663 N ARG B 79 5.747 18.234 3.841 1.00 0.28 N ATOM 2664 CA ARG B 79 6.830 19.202 3.649 1.00 0.30 C ATOM 2665 C ARG B 79 6.391 20.451 2.882 1.00 0.27 C ATOM 2666 O ARG B 79 6.629 21.571 3.332 1.00 0.23 O ATOM 2667 CB ARG B 79 8.025 18.555 2.934 1.00 0.34 C ATOM 2668 CG ARG B 79 8.514 17.249 3.558 1.00 0.63 C ATOM 2669 CD ARG B 79 8.680 17.348 5.068 1.00 0.85 C ATOM 2670 NE ARG B 79 8.338 16.088 5.725 1.00 1.45 N ATOM 2671 CZ ARG B 79 7.583 15.988 6.818 1.00 1.28 C ATOM 2672 NH1 ARG B 79 7.143 17.077 7.440 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 7.280 14.786 7.293 1.00 2.05 N ATOM 0 H ARG B 79 5.900 17.337 3.381 1.00 0.28 H new ATOM 0 HA ARG B 79 7.126 19.520 4.649 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.750 18.365 1.896 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.851 19.266 2.920 1.00 0.34 H new ATOM 0 HG2 ARG B 79 7.807 16.452 3.325 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.467 16.971 3.109 1.00 0.63 H new ATOM 0 HD2 ARG B 79 9.709 17.617 5.306 1.00 0.85 H new ATOM 0 HD3 ARG B 79 8.045 18.146 5.454 1.00 0.85 H new ATOM 0 HE ARG B 79 8.702 15.226 5.319 1.00 1.45 H new ATOM 0 HH11 ARG B 79 7.383 18.001 7.081 1.00 0.73 H new ATOM 0 HH12 ARG B 79 6.566 16.989 8.276 1.00 0.73 H new ATOM 0 HH21 ARG B 79 7.625 13.950 6.822 1.00 2.05 H new ATOM 0 HH22 ARG B 79 6.703 14.699 8.129 1.00 2.05 H new ATOM 2687 N LEU B 80 5.728 20.273 1.743 1.00 0.30 N ATOM 2688 CA LEU B 80 5.311 21.415 0.927 1.00 0.28 C ATOM 2689 C LEU B 80 4.139 22.180 1.547 1.00 0.23 C ATOM 2690 O LEU B 80 3.796 23.270 1.090 1.00 0.28 O ATOM 2691 CB LEU B 80 4.976 20.973 -0.508 1.00 0.31 C ATOM 2692 CG LEU B 80 3.482 20.908 -0.855 1.00 0.48 C ATOM 2693 CD1 LEU B 80 3.247 21.259 -2.321 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.930 19.528 -0.552 1.00 0.44 C ATOM 0 H LEU B 80 5.469 19.362 1.365 1.00 0.30 H new ATOM 0 HA LEU B 80 6.157 22.102 0.891 1.00 0.28 H new ATOM 0 HB2 LEU B 80 5.461 21.659 -1.202 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.412 19.988 -0.676 1.00 0.31 H new ATOM 0 HG LEU B 80 2.959 21.640 -0.240 1.00 0.48 H new ATOM 0 HD11 LEU B 80 2.181 21.206 -2.542 1.00 0.79 H new ATOM 0 HD12 LEU B 80 3.608 22.269 -2.516 1.00 0.79 H new ATOM 0 HD13 LEU B 80 3.784 20.553 -2.955 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.870 19.497 -0.803 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.465 18.784 -1.143 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.058 19.310 0.508 1.00 0.44 H new ATOM 2706 N ARG B 81 3.521 21.625 2.580 1.00 0.20 N ATOM 2707 CA ARG B 81 2.404 22.303 3.223 1.00 0.15 C ATOM 2708 C ARG B 81 2.854 23.009 4.495 1.00 0.15 C ATOM 2709 O ARG B 81 2.448 24.140 4.759 1.00 0.43 O ATOM 2710 CB ARG B 81 1.265 21.327 3.523 1.00 0.22 C ATOM 2711 CG ARG B 81 0.528 20.849 2.278 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.419 21.907 1.723 1.00 0.65 C ATOM 2713 NE ARG B 81 0.284 23.119 1.291 1.00 1.05 N ATOM 2714 CZ ARG B 81 -0.150 24.357 1.534 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -1.253 24.560 2.243 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 0.536 25.399 1.078 1.00 2.12 N ATOM 0 H ARG B 81 3.768 20.722 2.986 1.00 0.20 H new ATOM 0 HA ARG B 81 2.030 23.056 2.529 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.668 20.463 4.051 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.553 21.807 4.194 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.253 20.576 1.512 1.00 0.32 H new ATOM 0 HG3 ARG B 81 -0.037 19.948 2.517 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -0.970 21.490 0.880 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.153 22.169 2.485 1.00 0.65 H new ATOM 0 HE ARG B 81 1.156 23.009 0.774 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -1.778 23.765 2.608 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -1.576 25.511 2.423 1.00 2.04 H new ATOM 0 HH21 ARG B 81 1.392 25.252 0.544 1.00 2.12 H new ATOM 0 HH22 ARG B 81 0.207 26.347 1.262 1.00 2.12 H new ATOM 2730 N GLU B 82 3.714 22.356 5.266 1.00 0.39 N ATOM 2731 CA GLU B 82 4.214 22.935 6.508 1.00 0.44 C ATOM 2732 C GLU B 82 5.160 24.097 6.218 1.00 0.34 C ATOM 2733 O GLU B 82 5.388 24.962 7.066 1.00 0.27 O ATOM 2734 CB GLU B 82 4.929 21.877 7.347 1.00 0.69 C ATOM 2735 CG GLU B 82 6.306 21.503 6.817 1.00 0.48 C ATOM 2736 CD GLU B 82 7.024 20.507 7.698 1.00 0.92 C ATOM 2737 OE1 GLU B 82 6.834 20.549 8.928 1.00 1.70 O1- ATOM 2738 OE2 GLU B 82 7.798 19.685 7.158 1.00 1.27 O ATOM 0 H GLU B 82 4.080 21.427 5.055 1.00 0.39 H new ATOM 0 HA GLU B 82 3.360 23.311 7.072 1.00 0.44 H new ATOM 0 HB2 GLU B 82 5.030 22.244 8.369 1.00 0.69 H new ATOM 0 HB3 GLU B 82 4.310 20.981 7.390 1.00 0.69 H new ATOM 0 HG2 GLU B 82 6.203 21.086 5.815 1.00 0.48 H new ATOM 0 HG3 GLU B 82 6.912 22.404 6.727 1.00 0.48 H new ATOM 2745 N GLN B 83 5.690 24.113 5.005 1.00 0.35 N ATOM 2746 CA GLN B 83 6.611 25.155 4.571 1.00 0.31 C ATOM 2747 C GLN B 83 5.876 26.484 4.426 1.00 0.28 C ATOM 2748 O GLN B 83 6.491 27.550 4.407 1.00 0.30 O ATOM 2749 CB GLN B 83 7.254 24.763 3.239 1.00 0.36 C ATOM 2750 CG GLN B 83 8.674 25.269 3.062 1.00 0.39 C ATOM 2751 CD GLN B 83 9.369 24.618 1.887 1.00 0.29 C ATOM 2752 OE1 GLN B 83 9.295 25.107 0.757 1.00 0.45 O ATOM 2753 NE2 GLN B 83 10.043 23.505 2.139 1.00 0.89 N ATOM 0 H GLN B 83 5.496 23.407 4.295 1.00 0.35 H new ATOM 0 HA GLN B 83 7.392 25.268 5.323 1.00 0.31 H new ATOM 0 HB2 GLN B 83 7.254 23.676 3.154 1.00 0.36 H new ATOM 0 HB3 GLN B 83 6.639 25.146 2.425 1.00 0.36 H new ATOM 0 HG2 GLN B 83 8.658 26.350 2.920 1.00 0.39 H new ATOM 0 HG3 GLN B 83 9.243 25.076 3.971 1.00 0.39 H new ATOM 0 HE21 GLN B 83 10.079 23.134 3.089 1.00 0.89 H new ATOM 0 HE22 GLN B 83 10.526 23.019 1.383 1.00 0.89 H new ATOM 2762 N LEU B 84 4.553 26.409 4.346 1.00 0.27 N ATOM 2763 CA LEU B 84 3.722 27.595 4.196 1.00 0.26 C ATOM 2764 C LEU B 84 3.133 28.012 5.540 1.00 0.19 C ATOM 2765 O LEU B 84 2.251 28.871 5.604 1.00 0.26 O ATOM 2766 CB LEU B 84 2.592 27.321 3.194 1.00 0.39 C ATOM 2767 CG LEU B 84 2.604 28.165 1.907 1.00 0.50 C ATOM 2768 CD1 LEU B 84 2.477 29.655 2.214 1.00 0.62 C ATOM 2769 CD2 LEU B 84 3.861 27.897 1.085 1.00 1.24 C ATOM 0 H LEU B 84 4.031 25.533 4.383 1.00 0.27 H new ATOM 0 HA LEU B 84 4.345 28.408 3.822 1.00 0.26 H new ATOM 0 HB2 LEU B 84 2.631 26.268 2.914 1.00 0.39 H new ATOM 0 HB3 LEU B 84 1.640 27.481 3.700 1.00 0.39 H new ATOM 0 HG LEU B 84 1.737 27.867 1.317 1.00 0.50 H new ATOM 0 HD11 LEU B 84 2.489 30.221 1.282 1.00 0.62 H new ATOM 0 HD12 LEU B 84 1.540 29.840 2.739 1.00 0.62 H new ATOM 0 HD13 LEU B 84 3.312 29.970 2.840 1.00 0.62 H new ATOM 0 HD21 LEU B 84 3.842 28.507 0.182 1.00 1.24 H new ATOM 0 HD22 LEU B 84 4.742 28.149 1.675 1.00 1.24 H new ATOM 0 HD23 LEU B 84 3.898 26.843 0.810 1.00 1.24 H new ATOM 2781 N LYS B 85 3.620 27.399 6.608 1.00 0.35 N ATOM 2782 CA LYS B 85 3.134 27.711 7.944 1.00 0.59 C ATOM 2783 C LYS B 85 4.077 28.667 8.660 1.00 0.72 C ATOM 2784 O LYS B 85 3.897 29.884 8.598 1.00 0.98 O ATOM 2785 CB LYS B 85 2.956 26.432 8.764 1.00 0.69 C ATOM 2786 CG LYS B 85 1.613 25.753 8.544 1.00 0.66 C ATOM 2787 CD LYS B 85 1.513 24.435 9.298 1.00 0.84 C ATOM 2788 CE LYS B 85 0.070 23.979 9.447 1.00 1.01 C ATOM 2789 NZ LYS B 85 -0.639 23.909 8.139 1.00 1.80 N1+ ATOM 0 H LYS B 85 4.348 26.686 6.577 1.00 0.35 H new ATOM 0 HA LYS B 85 2.165 28.200 7.841 1.00 0.59 H new ATOM 0 HB2 LYS B 85 3.753 25.733 8.511 1.00 0.69 H new ATOM 0 HB3 LYS B 85 3.065 26.670 9.822 1.00 0.69 H new ATOM 0 HG2 LYS B 85 0.813 26.418 8.868 1.00 0.66 H new ATOM 0 HG3 LYS B 85 1.467 25.574 7.479 1.00 0.66 H new ATOM 0 HD2 LYS B 85 2.083 23.670 8.771 1.00 0.84 H new ATOM 0 HD3 LYS B 85 1.963 24.545 10.284 1.00 0.84 H new ATOM 0 HE2 LYS B 85 0.049 22.998 9.922 1.00 1.01 H new ATOM 0 HE3 LYS B 85 -0.459 24.665 10.108 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 -1.549 23.421 8.263 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 -0.808 24.872 7.784 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 -0.056 23.385 7.456 1.00 1.80 H new ATOM 2803 N LYS B 86 5.090 28.119 9.316 1.00 0.59 N ATOM 2804 CA LYS B 86 6.054 28.923 10.055 1.00 0.82 C ATOM 2805 C LYS B 86 7.237 28.068 10.483 1.00 0.82 C ATOM 2806 O LYS B 86 7.990 28.506 11.374 1.00 1.02 O ATOM 2807 CB LYS B 86 5.399 29.544 11.295 1.00 1.00 C ATOM 2808 CG LYS B 86 4.790 28.522 12.241 1.00 1.09 C ATOM 2809 CD LYS B 86 4.782 29.021 13.676 1.00 1.23 C ATOM 2810 CE LYS B 86 6.084 28.701 14.396 1.00 1.10 C ATOM 2811 NZ LYS B 86 7.244 29.445 13.837 1.00 0.86 N1+ ATOM 0 H LYS B 86 5.266 27.115 9.352 1.00 0.59 H new ATOM 0 HA LYS B 86 6.404 29.721 9.400 1.00 0.82 H new ATOM 0 HB2 LYS B 86 6.145 30.127 11.835 1.00 1.00 H new ATOM 0 HB3 LYS B 86 4.622 30.238 10.975 1.00 1.00 H new ATOM 0 HG2 LYS B 86 3.770 28.298 11.928 1.00 1.09 H new ATOM 0 HG3 LYS B 86 5.353 27.591 12.182 1.00 1.09 H new ATOM 0 HD2 LYS B 86 4.618 30.099 13.685 1.00 1.23 H new ATOM 0 HD3 LYS B 86 3.949 28.567 14.213 1.00 1.23 H new ATOM 0 HE2 LYS B 86 5.978 28.941 15.454 1.00 1.10 H new ATOM 0 HE3 LYS B 86 6.278 27.630 14.330 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 8.057 29.353 14.479 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 7.492 29.053 12.906 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 6.995 30.450 13.735 1.00 0.86 H new TER 2825 LYS B 86