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 74 LYS NZ :NH3+ 175:sc= 1.28 (180deg=0) USER MOD Set 1.2: B 78 GLN : amide:sc= 1.09 K(o=2.4,f=-8.3!) USER MOD Set 2.1: B 42 LYS NZ :NH3+ 134:sc= 1.24 (180deg=0.775) USER MOD Set 2.2: B 65 GLN : amide:sc= 0.179 K(o=1.4,f=-0.6!) USER MOD Set 3.1: B 28 SER OG : rot 180:sc= 0.463 USER MOD Set 3.2: B 31 HIS : no HD1:sc= 0.348 K(o=0.81,f=-5.3!) USER MOD Set 4.1: B 13 SER OG : rot 180:sc= 0.974 USER MOD Set 4.2: B 22 THR OG1 : rot -68:sc= 1.13 USER MOD Set 5.1: A 52 MET CE :methyl -109:sc= -0.271 (180deg=-0.025) USER MOD Set 5.2: B 19 GLN :FLIP amide:sc= -0.379 F(o=-2.3,f=-0.65) USER MOD Set 6.1: B 17 TYR OH : rot 28:sc= 1.01 USER MOD Set 6.2: B 47 SER OG : rot 57:sc= 2.01 USER MOD Set 7.1: A 42 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.508) USER MOD Set 7.2: A 65 GLN : amide:sc= 0.51 K(o=1.7,f=-2.7!) USER MOD Set 8.1: A 28 SER OG : rot -151:sc= 1.3 USER MOD Set 8.2: A 31 HIS : no HD1:sc= 2.09 K(o=3.4,f=-9.8!) USER MOD Set 9.1: A 19 GLN : amide:sc= 0.636 K(o=0.64,f=-0.73) USER MOD Set 9.2: B 52 MET CE :methyl -127:sc= 0 (180deg=-0.0566) 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= 0.0995 USER MOD Single : A 7 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.58) 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= -0.193 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0829 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.486 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 43 MET CE :methyl 162:sc= -0.0492 (180deg=-0.427) USER MOD Single : A 44 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 47 SER OG : rot -94:sc= 1.23 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= 0.467 F(o=-0.64,f=0.47) USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= 1.25 (180deg=-0.041) USER MOD Single : A 62 THR OG1 : rot -36:sc= 1.17 USER MOD Single : A 68 SER OG : rot 60:sc= 1.27 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= 0.29 (180deg=0.00879) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 146:sc= 0.929 USER MOD Single : A 78 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.043) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= 1.27 (180deg=-2.18!) USER MOD Single : A 86 LYS NZ :NH3+ 146:sc= 1.27 (180deg=1.13) 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= 0.0448 USER MOD Single : B 7 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.31) 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 21 TYR OH : rot 180:sc= -0.142 USER MOD Single : B 43 MET CE :methyl 170:sc= -0.24 (180deg=-0.37) USER MOD Single : B 44 HIS : no HE2:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.00013) USER MOD Single : B 57 LYS NZ :NH3+ 164:sc= 1.28 (180deg=0.616) USER MOD Single : B 62 THR OG1 : rot -80:sc= 1.25 USER MOD Single : B 68 SER OG : rot 29:sc= 1.04 USER MOD Single : B 70 TYR OH : rot 110:sc= 0.00118 USER MOD Single : B 72 LYS NZ :NH3+ 156:sc= 1 (180deg=0.0429) USER MOD Single : B 77 TYR OH : rot 96:sc= 1.27 USER MOD Single : B 83 GLN : amide:sc=-0.00954 X(o=-0.0095,f=-0.34) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 LYS NZ :NH3+ 127:sc= 1.25 (180deg=0.361) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.438 0.328 -20.755 1.00 0.23 N ATOM 2 CA GLY A 1 34.980 -0.174 -19.438 1.00 0.52 C ATOM 3 C GLY A 1 33.888 0.692 -18.858 1.00 0.32 C ATOM 4 O GLY A 1 34.141 1.522 -17.986 1.00 0.19 O ATOM 0 H1 GLY A 1 36.188 -0.292 -21.121 1.00 0.23 H new ATOM 0 H2 GLY A 1 34.639 0.336 -21.421 1.00 0.23 H new ATOM 0 H3 GLY A 1 35.809 1.294 -20.649 1.00 0.23 H new ATOM 0 HA2 GLY A 1 34.616 -1.196 -19.545 1.00 0.52 H new ATOM 0 HA3 GLY A 1 35.823 -0.207 -18.748 1.00 0.52 H new ATOM 10 N SER A 2 32.671 0.510 -19.346 1.00 0.42 N ATOM 11 CA SER A 2 31.539 1.285 -18.872 1.00 0.34 C ATOM 12 C SER A 2 30.791 0.541 -17.769 1.00 0.28 C ATOM 13 O SER A 2 29.895 -0.262 -18.039 1.00 0.53 O ATOM 14 CB SER A 2 30.597 1.601 -20.034 1.00 0.58 C ATOM 15 OG SER A 2 31.291 2.257 -21.082 1.00 0.54 O ATOM 0 H SER A 2 32.443 -0.170 -20.072 1.00 0.42 H new ATOM 0 HA SER A 2 31.913 2.220 -18.454 1.00 0.34 H new ATOM 0 HB2 SER A 2 30.152 0.679 -20.408 1.00 0.58 H new ATOM 0 HB3 SER A 2 29.779 2.231 -19.684 1.00 0.58 H new ATOM 0 HG SER A 2 30.670 2.448 -21.816 1.00 0.54 H new ATOM 21 N HIS A 3 31.170 0.806 -16.528 1.00 0.18 N ATOM 22 CA HIS A 3 30.540 0.168 -15.381 1.00 0.13 C ATOM 23 C HIS A 3 30.081 1.217 -14.373 1.00 0.16 C ATOM 24 O HIS A 3 29.421 0.894 -13.385 1.00 0.31 O ATOM 25 CB HIS A 3 31.517 -0.809 -14.720 1.00 0.26 C ATOM 26 CG HIS A 3 30.846 -1.980 -14.066 1.00 0.54 C ATOM 27 ND1 HIS A 3 30.777 -3.231 -14.645 1.00 1.06 N ATOM 28 CD2 HIS A 3 30.201 -2.083 -12.879 1.00 1.49 C ATOM 29 CE1 HIS A 3 30.119 -4.047 -13.844 1.00 1.02 C ATOM 30 NE2 HIS A 3 29.759 -3.376 -12.767 1.00 1.41 N ATOM 0 H HIS A 3 31.914 1.461 -16.288 1.00 0.18 H new ATOM 0 HA HIS A 3 29.667 -0.386 -15.726 1.00 0.13 H new ATOM 0 HB2 HIS A 3 32.216 -1.175 -15.472 1.00 0.26 H new ATOM 0 HB3 HIS A 3 32.104 -0.274 -13.973 1.00 0.26 H new ATOM 0 HD2 HIS A 3 30.061 -1.293 -12.156 1.00 1.49 H new ATOM 0 HE1 HIS A 3 29.910 -5.089 -14.037 1.00 1.02 H new ATOM 0 HE2 HIS A 3 29.236 -3.757 -11.978 1.00 1.41 H new ATOM 39 N MET A 4 30.421 2.472 -14.635 1.00 0.20 N ATOM 40 CA MET A 4 30.050 3.561 -13.748 1.00 0.25 C ATOM 41 C MET A 4 28.615 4.004 -14.019 1.00 0.20 C ATOM 42 O MET A 4 28.310 4.554 -15.080 1.00 0.30 O ATOM 43 CB MET A 4 31.012 4.738 -13.921 1.00 0.37 C ATOM 44 CG MET A 4 30.781 5.862 -12.926 1.00 0.43 C ATOM 45 SD MET A 4 31.897 7.258 -13.170 1.00 0.28 S ATOM 46 CE MET A 4 31.294 8.391 -11.920 1.00 0.33 C ATOM 0 H MET A 4 30.954 2.759 -15.456 1.00 0.20 H new ATOM 0 HA MET A 4 30.114 3.207 -12.719 1.00 0.25 H new ATOM 0 HB2 MET A 4 32.036 4.378 -13.819 1.00 0.37 H new ATOM 0 HB3 MET A 4 30.912 5.133 -14.932 1.00 0.37 H new ATOM 0 HG2 MET A 4 29.751 6.208 -13.010 1.00 0.43 H new ATOM 0 HG3 MET A 4 30.906 5.476 -11.914 1.00 0.43 H new ATOM 0 HE1 MET A 4 31.884 9.307 -11.944 1.00 0.33 H new ATOM 0 HE2 MET A 4 30.249 8.628 -12.118 1.00 0.33 H new ATOM 0 HE3 MET A 4 31.382 7.928 -10.937 1.00 0.33 H new ATOM 56 N THR A 5 27.737 3.741 -13.065 1.00 0.32 N ATOM 57 CA THR A 5 26.339 4.114 -13.183 1.00 0.34 C ATOM 58 C THR A 5 26.128 5.571 -12.776 1.00 0.34 C ATOM 59 O THR A 5 26.982 6.166 -12.113 1.00 0.37 O ATOM 60 CB THR A 5 25.463 3.195 -12.313 1.00 0.36 C ATOM 61 OG1 THR A 5 26.252 2.628 -11.250 1.00 0.33 O ATOM 62 CG2 THR A 5 24.846 2.083 -13.151 1.00 0.54 C ATOM 0 H THR A 5 27.972 3.266 -12.193 1.00 0.32 H new ATOM 0 HA THR A 5 26.047 4.000 -14.227 1.00 0.34 H new ATOM 0 HB THR A 5 24.657 3.791 -11.886 1.00 0.36 H new ATOM 0 HG1 THR A 5 25.688 2.046 -10.699 1.00 0.33 H new ATOM 0 HG21 THR A 5 24.231 1.446 -12.515 1.00 0.54 H new ATOM 0 HG22 THR A 5 24.227 2.519 -13.935 1.00 0.54 H new ATOM 0 HG23 THR A 5 25.638 1.487 -13.604 1.00 0.54 H new ATOM 70 N GLU A 6 24.991 6.140 -13.163 1.00 0.35 N ATOM 71 CA GLU A 6 24.682 7.528 -12.846 1.00 0.39 C ATOM 72 C GLU A 6 23.672 7.615 -11.704 1.00 0.32 C ATOM 73 O GLU A 6 22.668 8.323 -11.801 1.00 0.30 O ATOM 74 CB GLU A 6 24.136 8.237 -14.085 1.00 0.52 C ATOM 75 CG GLU A 6 24.440 9.725 -14.111 1.00 0.53 C ATOM 76 CD GLU A 6 25.927 10.004 -14.137 1.00 1.16 C ATOM 77 OE1 GLU A 6 26.545 9.863 -15.213 1.00 1.64 O ATOM 78 OE2 GLU A 6 26.485 10.360 -13.080 1.00 1.31 O1- ATOM 0 H GLU A 6 24.267 5.659 -13.698 1.00 0.35 H new ATOM 0 HA GLU A 6 25.601 8.020 -12.527 1.00 0.39 H new ATOM 0 HB2 GLU A 6 24.558 7.772 -14.976 1.00 0.52 H new ATOM 0 HB3 GLU A 6 23.056 8.093 -14.131 1.00 0.52 H new ATOM 0 HG2 GLU A 6 23.972 10.174 -14.987 1.00 0.53 H new ATOM 0 HG3 GLU A 6 23.998 10.200 -13.235 1.00 0.53 H new ATOM 85 N GLN A 7 23.955 6.884 -10.628 1.00 0.30 N ATOM 86 CA GLN A 7 23.090 6.856 -9.447 1.00 0.25 C ATOM 87 C GLN A 7 21.667 6.422 -9.805 1.00 0.23 C ATOM 88 O GLN A 7 20.759 7.248 -9.908 1.00 0.29 O ATOM 89 CB GLN A 7 23.069 8.224 -8.756 1.00 0.29 C ATOM 90 CG GLN A 7 24.353 8.540 -8.010 1.00 0.42 C ATOM 91 CD GLN A 7 24.650 7.535 -6.914 1.00 1.19 C ATOM 92 OE1 GLN A 7 25.309 6.524 -7.146 1.00 1.46 O ATOM 93 NE2 GLN A 7 24.164 7.804 -5.714 1.00 1.77 N ATOM 0 H GLN A 7 24.785 6.297 -10.548 1.00 0.30 H new ATOM 0 HA GLN A 7 23.503 6.121 -8.757 1.00 0.25 H new ATOM 0 HB2 GLN A 7 22.891 8.998 -9.503 1.00 0.29 H new ATOM 0 HB3 GLN A 7 22.233 8.257 -8.057 1.00 0.29 H new ATOM 0 HG2 GLN A 7 25.184 8.560 -8.715 1.00 0.42 H new ATOM 0 HG3 GLN A 7 24.281 9.537 -7.575 1.00 0.42 H new ATOM 0 HE21 GLN A 7 23.622 8.654 -5.562 1.00 1.77 H new ATOM 0 HE22 GLN A 7 24.332 7.161 -4.940 1.00 1.77 H new ATOM 102 N PRO A 8 21.456 5.116 -10.012 1.00 0.18 N ATOM 103 CA PRO A 8 20.149 4.574 -10.354 1.00 0.17 C ATOM 104 C PRO A 8 19.330 4.238 -9.109 1.00 0.19 C ATOM 105 O PRO A 8 19.759 4.499 -7.983 1.00 0.25 O ATOM 106 CB PRO A 8 20.515 3.306 -11.122 1.00 0.18 C ATOM 107 CG PRO A 8 21.782 2.834 -10.485 1.00 0.20 C ATOM 108 CD PRO A 8 22.477 4.057 -9.929 1.00 0.18 C ATOM 0 HA PRO A 8 19.530 5.272 -10.917 1.00 0.17 H new ATOM 0 HB2 PRO A 8 19.729 2.555 -11.045 1.00 0.18 H new ATOM 0 HB3 PRO A 8 20.657 3.512 -12.183 1.00 0.18 H new ATOM 0 HG2 PRO A 8 21.571 2.116 -9.692 1.00 0.20 H new ATOM 0 HG3 PRO A 8 22.415 2.328 -11.214 1.00 0.20 H new ATOM 0 HD2 PRO A 8 22.804 3.898 -8.902 1.00 0.18 H new ATOM 0 HD3 PRO A 8 23.364 4.311 -10.510 1.00 0.18 H new ATOM 116 N LYS A 9 18.152 3.664 -9.313 1.00 0.17 N ATOM 117 CA LYS A 9 17.297 3.291 -8.195 1.00 0.20 C ATOM 118 C LYS A 9 17.916 2.113 -7.436 1.00 0.23 C ATOM 119 O LYS A 9 18.071 1.019 -7.980 1.00 0.30 O ATOM 120 CB LYS A 9 15.868 2.960 -8.672 1.00 0.14 C ATOM 121 CG LYS A 9 15.765 1.754 -9.603 1.00 0.33 C ATOM 122 CD LYS A 9 14.331 1.504 -10.049 1.00 0.76 C ATOM 123 CE LYS A 9 13.837 2.595 -10.984 1.00 1.45 C ATOM 124 NZ LYS A 9 12.748 2.109 -11.875 1.00 2.23 N1+ ATOM 0 H LYS A 9 17.769 3.448 -10.234 1.00 0.17 H new ATOM 0 HA LYS A 9 17.221 4.140 -7.516 1.00 0.20 H new ATOM 0 HB2 LYS A 9 15.241 2.781 -7.798 1.00 0.14 H new ATOM 0 HB3 LYS A 9 15.460 3.832 -9.184 1.00 0.14 H new ATOM 0 HG2 LYS A 9 16.395 1.916 -10.478 1.00 0.33 H new ATOM 0 HG3 LYS A 9 16.147 0.869 -9.095 1.00 0.33 H new ATOM 0 HD2 LYS A 9 14.269 0.538 -10.551 1.00 0.76 H new ATOM 0 HD3 LYS A 9 13.682 1.452 -9.175 1.00 0.76 H new ATOM 0 HE2 LYS A 9 13.477 3.440 -10.398 1.00 1.45 H new ATOM 0 HE3 LYS A 9 14.667 2.958 -11.590 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 12.438 2.882 -12.498 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 13.099 1.319 -12.453 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 11.945 1.786 -11.298 1.00 2.23 H new ATOM 138 N THR A 10 18.308 2.354 -6.193 1.00 0.30 N ATOM 139 CA THR A 10 18.920 1.319 -5.375 1.00 0.36 C ATOM 140 C THR A 10 17.859 0.430 -4.724 1.00 0.30 C ATOM 141 O THR A 10 16.694 0.819 -4.595 1.00 0.27 O ATOM 142 CB THR A 10 19.841 1.926 -4.289 1.00 0.49 C ATOM 143 OG1 THR A 10 20.649 0.899 -3.701 1.00 0.62 O ATOM 144 CG2 THR A 10 19.034 2.623 -3.201 1.00 0.60 C ATOM 0 H THR A 10 18.213 3.258 -5.730 1.00 0.30 H new ATOM 0 HA THR A 10 19.530 0.705 -6.038 1.00 0.36 H new ATOM 0 HB THR A 10 20.479 2.667 -4.770 1.00 0.49 H new ATOM 0 HG1 THR A 10 21.230 1.292 -3.016 1.00 0.62 H new ATOM 0 HG21 THR A 10 19.712 3.038 -2.455 1.00 0.60 H new ATOM 0 HG22 THR A 10 18.445 3.427 -3.643 1.00 0.60 H new ATOM 0 HG23 THR A 10 18.367 1.904 -2.726 1.00 0.60 H new ATOM 152 N ARG A 11 18.271 -0.761 -4.320 1.00 0.30 N ATOM 153 CA ARG A 11 17.371 -1.707 -3.689 1.00 0.26 C ATOM 154 C ARG A 11 17.871 -2.051 -2.286 1.00 0.21 C ATOM 155 O ARG A 11 19.046 -2.370 -2.094 1.00 0.22 O ATOM 156 CB ARG A 11 17.233 -2.972 -4.548 1.00 0.32 C ATOM 157 CG ARG A 11 18.562 -3.617 -4.912 1.00 0.40 C ATOM 158 CD ARG A 11 18.364 -4.879 -5.734 1.00 0.55 C ATOM 159 NE ARG A 11 19.602 -5.650 -5.846 1.00 0.68 N ATOM 160 CZ ARG A 11 19.664 -6.981 -5.781 1.00 1.07 C ATOM 161 NH1 ARG A 11 18.553 -7.698 -5.632 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 20.836 -7.595 -5.870 1.00 1.17 N ATOM 0 H ARG A 11 19.230 -1.095 -4.420 1.00 0.30 H new ATOM 0 HA ARG A 11 16.385 -1.251 -3.601 1.00 0.26 H new ATOM 0 HB2 ARG A 11 16.622 -3.699 -4.012 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.699 -2.721 -5.464 1.00 0.32 H new ATOM 0 HG2 ARG A 11 19.170 -2.908 -5.474 1.00 0.40 H new ATOM 0 HG3 ARG A 11 19.112 -3.857 -4.002 1.00 0.40 H new ATOM 0 HD2 ARG A 11 17.591 -5.495 -5.274 1.00 0.55 H new ATOM 0 HD3 ARG A 11 18.009 -4.613 -6.730 1.00 0.55 H new ATOM 0 HE ARG A 11 20.473 -5.137 -5.982 1.00 0.68 H new ATOM 0 HH11 ARG A 11 17.649 -7.230 -5.567 1.00 1.36 H new ATOM 0 HH12 ARG A 11 18.605 -8.715 -5.583 1.00 1.36 H new ATOM 0 HH21 ARG A 11 21.690 -7.050 -5.988 1.00 1.17 H new ATOM 0 HH22 ARG A 11 20.884 -8.613 -5.820 1.00 1.17 H new ATOM 176 N VAL A 12 16.975 -1.977 -1.314 1.00 0.16 N ATOM 177 CA VAL A 12 17.309 -2.262 0.072 1.00 0.12 C ATOM 178 C VAL A 12 16.592 -3.526 0.545 1.00 0.14 C ATOM 179 O VAL A 12 15.427 -3.751 0.217 1.00 0.18 O ATOM 180 CB VAL A 12 16.943 -1.072 0.994 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.460 -0.735 0.888 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.331 -1.361 2.439 1.00 0.12 C ATOM 0 H VAL A 12 16.000 -1.719 -1.463 1.00 0.16 H new ATOM 0 HA VAL A 12 18.386 -2.420 0.128 1.00 0.12 H new ATOM 0 HB VAL A 12 17.511 -0.204 0.660 1.00 0.09 H new ATOM 0 HG11 VAL A 12 15.230 0.104 1.545 1.00 0.08 H new ATOM 0 HG12 VAL A 12 15.221 -0.466 -0.141 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.868 -1.601 1.184 1.00 0.08 H new ATOM 0 HG21 VAL A 12 17.063 -0.510 3.065 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.802 -2.248 2.787 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.406 -1.532 2.500 1.00 0.12 H new ATOM 192 N SER A 13 17.299 -4.356 1.291 1.00 0.14 N ATOM 193 CA SER A 13 16.733 -5.591 1.804 1.00 0.17 C ATOM 194 C SER A 13 16.094 -5.362 3.173 1.00 0.12 C ATOM 195 O SER A 13 16.794 -5.178 4.171 1.00 0.15 O ATOM 196 CB SER A 13 17.831 -6.644 1.902 1.00 0.25 C ATOM 197 OG SER A 13 18.872 -6.363 0.978 1.00 0.56 O ATOM 0 H SER A 13 18.271 -4.196 1.556 1.00 0.14 H new ATOM 0 HA SER A 13 15.956 -5.939 1.123 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.232 -6.667 2.915 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.415 -7.631 1.702 1.00 0.25 H new ATOM 0 HG SER A 13 19.570 -7.047 1.054 1.00 0.56 H new ATOM 203 N VAL A 14 14.769 -5.359 3.215 1.00 0.06 N ATOM 204 CA VAL A 14 14.050 -5.154 4.467 1.00 0.08 C ATOM 205 C VAL A 14 13.376 -6.448 4.911 1.00 0.08 C ATOM 206 O VAL A 14 12.956 -7.249 4.079 1.00 0.12 O ATOM 207 CB VAL A 14 12.995 -4.030 4.366 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.662 -2.684 4.120 1.00 0.10 C ATOM 209 CG2 VAL A 14 11.963 -4.327 3.282 1.00 0.09 C ATOM 0 H VAL A 14 14.171 -5.496 2.400 1.00 0.06 H new ATOM 0 HA VAL A 14 14.789 -4.848 5.207 1.00 0.08 H new ATOM 0 HB VAL A 14 12.469 -3.985 5.320 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.900 -1.907 4.052 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.339 -2.457 4.944 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.225 -2.722 3.188 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.237 -3.515 3.239 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.464 -4.417 2.318 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.451 -5.261 3.514 1.00 0.09 H new ATOM 219 N ARG A 15 13.268 -6.641 6.217 1.00 0.05 N ATOM 220 CA ARG A 15 12.672 -7.854 6.760 1.00 0.05 C ATOM 221 C ARG A 15 11.202 -7.659 7.122 1.00 0.04 C ATOM 222 O ARG A 15 10.856 -6.757 7.887 1.00 0.07 O ATOM 223 CB ARG A 15 13.451 -8.306 7.996 1.00 0.06 C ATOM 224 CG ARG A 15 13.108 -9.715 8.454 1.00 0.06 C ATOM 225 CD ARG A 15 13.833 -10.075 9.739 1.00 0.11 C ATOM 226 NE ARG A 15 15.267 -9.823 9.646 1.00 0.16 N ATOM 227 CZ ARG A 15 16.087 -9.786 10.694 1.00 0.20 C ATOM 228 NH1 ARG A 15 15.617 -9.984 11.921 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 17.377 -9.528 10.512 1.00 0.26 N ATOM 0 H ARG A 15 13.585 -5.974 6.921 1.00 0.05 H new ATOM 0 HA ARG A 15 12.723 -8.620 5.986 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.518 -8.253 7.781 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.255 -7.611 8.812 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.032 -9.797 8.607 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.374 -10.427 7.673 1.00 0.06 H new ATOM 0 HD2 ARG A 15 13.416 -9.498 10.564 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.664 -11.127 9.968 1.00 0.11 H new ATOM 0 HE ARG A 15 15.666 -9.665 8.721 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.623 -10.165 12.063 1.00 0.20 H new ATOM 0 HH12 ARG A 15 16.250 -9.955 12.720 1.00 0.20 H new ATOM 0 HH21 ARG A 15 17.736 -9.359 9.572 1.00 0.26 H new ATOM 0 HH22 ARG A 15 18.009 -9.499 11.312 1.00 0.26 H new ATOM 243 N ILE A 16 10.347 -8.512 6.565 1.00 0.03 N ATOM 244 CA ILE A 16 8.916 -8.474 6.829 1.00 0.04 C ATOM 245 C ILE A 16 8.419 -9.881 7.134 1.00 0.04 C ATOM 246 O ILE A 16 8.544 -10.783 6.301 1.00 0.04 O ATOM 247 CB ILE A 16 8.116 -7.904 5.636 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.581 -6.487 5.315 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.621 -7.911 5.942 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.338 -6.085 3.880 1.00 0.07 C ATOM 0 H ILE A 16 10.629 -9.248 5.918 1.00 0.03 H new ATOM 0 HA ILE A 16 8.758 -7.815 7.683 1.00 0.04 H new ATOM 0 HB ILE A 16 8.295 -8.537 4.767 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.066 -5.786 5.973 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.646 -6.404 5.532 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.073 -7.506 5.091 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.293 -8.933 6.131 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.427 -7.299 6.823 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.693 -5.066 3.722 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.875 -6.763 3.216 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.271 -6.135 3.664 1.00 0.07 H new ATOM 262 N TYR A 17 7.888 -10.068 8.337 1.00 0.08 N ATOM 263 CA TYR A 17 7.374 -11.364 8.772 1.00 0.11 C ATOM 264 C TYR A 17 8.478 -12.425 8.773 1.00 0.19 C ATOM 265 O TYR A 17 8.218 -13.613 8.567 1.00 0.56 O ATOM 266 CB TYR A 17 6.206 -11.806 7.885 1.00 0.04 C ATOM 267 CG TYR A 17 4.960 -12.164 8.662 1.00 0.09 C ATOM 268 CD1 TYR A 17 4.257 -11.195 9.365 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.489 -13.468 8.692 1.00 0.08 C ATOM 270 CE1 TYR A 17 3.116 -11.518 10.075 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.349 -13.800 9.398 1.00 0.12 C ATOM 272 CZ TYR A 17 2.667 -12.820 10.091 1.00 0.20 C ATOM 273 OH TYR A 17 1.531 -13.143 10.799 1.00 0.25 O ATOM 0 H TYR A 17 7.801 -9.330 9.036 1.00 0.08 H new ATOM 0 HA TYR A 17 7.012 -11.254 9.794 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.970 -11.006 7.184 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.515 -12.667 7.293 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.607 -10.173 9.357 1.00 0.18 H new ATOM 0 HD2 TYR A 17 5.023 -14.237 8.154 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.579 -10.753 10.615 1.00 0.23 H new ATOM 0 HE2 TYR A 17 2.994 -14.820 9.408 1.00 0.12 H new ATOM 0 HH TYR A 17 1.350 -14.102 10.707 1.00 0.25 H new ATOM 283 N GLY A 18 9.711 -11.990 9.003 1.00 0.18 N ATOM 284 CA GLY A 18 10.831 -12.911 9.041 1.00 0.13 C ATOM 285 C GLY A 18 11.637 -12.927 7.757 1.00 0.05 C ATOM 286 O GLY A 18 12.867 -12.955 7.792 1.00 0.11 O ATOM 0 H GLY A 18 9.956 -11.013 9.164 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.486 -12.642 9.870 1.00 0.13 H new ATOM 0 HA3 GLY A 18 10.460 -13.916 9.241 1.00 0.13 H new ATOM 290 N GLN A 19 10.955 -12.897 6.620 1.00 0.05 N ATOM 291 CA GLN A 19 11.635 -12.925 5.328 1.00 0.10 C ATOM 292 C GLN A 19 12.020 -11.524 4.883 1.00 0.05 C ATOM 293 O GLN A 19 11.279 -10.570 5.106 1.00 0.08 O ATOM 294 CB GLN A 19 10.758 -13.588 4.264 1.00 0.19 C ATOM 295 CG GLN A 19 10.592 -15.087 4.459 1.00 0.14 C ATOM 296 CD GLN A 19 11.901 -15.782 4.789 1.00 0.49 C ATOM 297 OE1 GLN A 19 12.268 -15.921 5.955 1.00 0.68 O ATOM 298 NE2 GLN A 19 12.614 -16.219 3.767 1.00 0.67 N ATOM 0 H GLN A 19 9.937 -12.854 6.563 1.00 0.05 H new ATOM 0 HA GLN A 19 12.545 -13.513 5.448 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.775 -13.118 4.271 1.00 0.19 H new ATOM 0 HB3 GLN A 19 11.192 -13.404 3.281 1.00 0.19 H new ATOM 0 HG2 GLN A 19 9.877 -15.268 5.261 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.172 -15.523 3.553 1.00 0.14 H new ATOM 0 HE21 GLN A 19 12.275 -16.085 2.814 1.00 0.67 H new ATOM 0 HE22 GLN A 19 13.503 -16.691 3.930 1.00 0.67 H new ATOM 307 N ASP A 20 13.179 -11.400 4.256 1.00 0.12 N ATOM 308 CA ASP A 20 13.644 -10.107 3.786 1.00 0.10 C ATOM 309 C ASP A 20 13.538 -10.025 2.272 1.00 0.09 C ATOM 310 O ASP A 20 13.769 -11.007 1.563 1.00 0.10 O ATOM 311 CB ASP A 20 15.086 -9.832 4.241 1.00 0.17 C ATOM 312 CG ASP A 20 16.114 -10.660 3.495 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.349 -11.822 3.892 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.693 -10.155 2.512 1.00 0.55 O ATOM 0 H ASP A 20 13.812 -12.176 4.062 1.00 0.12 H new ATOM 0 HA ASP A 20 13.005 -9.341 4.225 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.309 -8.774 4.101 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.169 -10.037 5.308 1.00 0.17 H new ATOM 319 N TYR A 21 13.157 -8.856 1.782 1.00 0.07 N ATOM 320 CA TYR A 21 13.011 -8.630 0.351 1.00 0.07 C ATOM 321 C TYR A 21 13.772 -7.382 -0.068 1.00 0.07 C ATOM 322 O TYR A 21 13.813 -6.394 0.666 1.00 0.16 O ATOM 323 CB TYR A 21 11.532 -8.484 -0.024 1.00 0.05 C ATOM 324 CG TYR A 21 10.659 -9.572 0.556 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.680 -10.858 0.029 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.824 -9.316 1.638 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.898 -11.861 0.565 1.00 0.17 C ATOM 328 CE2 TYR A 21 9.042 -10.315 2.183 1.00 0.08 C ATOM 329 CZ TYR A 21 9.079 -11.584 1.641 1.00 0.12 C ATOM 330 OH TYR A 21 8.300 -12.583 2.178 1.00 0.15 O ATOM 0 H TYR A 21 12.942 -8.043 2.359 1.00 0.07 H new ATOM 0 HA TYR A 21 13.424 -9.492 -0.173 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.171 -7.515 0.321 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.437 -8.492 -1.110 1.00 0.05 H new ATOM 0 HD1 TYR A 21 11.319 -11.076 -0.814 1.00 0.15 H new ATOM 0 HD2 TYR A 21 9.787 -8.322 2.058 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.927 -12.856 0.145 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.405 -10.105 3.029 1.00 0.08 H new ATOM 0 HH TYR A 21 7.783 -12.226 2.930 1.00 0.15 H new ATOM 340 N THR A 22 14.387 -7.437 -1.239 1.00 0.19 N ATOM 341 CA THR A 22 15.142 -6.312 -1.760 1.00 0.20 C ATOM 342 C THR A 22 14.227 -5.394 -2.565 1.00 0.21 C ATOM 343 O THR A 22 14.008 -5.602 -3.760 1.00 0.38 O ATOM 344 CB THR A 22 16.308 -6.796 -2.638 1.00 0.25 C ATOM 345 OG1 THR A 22 16.466 -8.215 -2.488 1.00 0.19 O ATOM 346 CG2 THR A 22 17.605 -6.096 -2.254 1.00 0.32 C ATOM 0 H THR A 22 14.377 -8.255 -1.849 1.00 0.19 H new ATOM 0 HA THR A 22 15.554 -5.756 -0.918 1.00 0.20 H new ATOM 0 HB THR A 22 16.080 -6.556 -3.677 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.208 -8.523 -3.049 1.00 0.19 H new ATOM 0 HG21 THR A 22 18.414 -6.456 -2.889 1.00 0.32 H new ATOM 0 HG22 THR A 22 17.491 -5.020 -2.386 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.839 -6.311 -1.211 1.00 0.32 H new ATOM 354 N ILE A 23 13.694 -4.386 -1.892 1.00 0.16 N ATOM 355 CA ILE A 23 12.776 -3.434 -2.507 1.00 0.16 C ATOM 356 C ILE A 23 13.506 -2.167 -2.932 1.00 0.15 C ATOM 357 O ILE A 23 14.613 -1.902 -2.477 1.00 0.13 O ATOM 358 CB ILE A 23 11.633 -3.053 -1.539 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.181 -2.258 -0.341 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.897 -4.305 -1.076 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.113 -1.743 0.597 1.00 0.06 C ATOM 0 H ILE A 23 13.884 -4.203 -0.907 1.00 0.16 H new ATOM 0 HA ILE A 23 12.354 -3.921 -3.386 1.00 0.16 H new ATOM 0 HB ILE A 23 10.924 -2.415 -2.067 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.867 -2.893 0.220 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.761 -1.413 -0.713 1.00 0.05 H new ATOM 0 HG21 ILE A 23 10.094 -4.024 -0.395 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.476 -4.820 -1.940 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.594 -4.968 -0.562 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.581 -1.194 1.414 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.440 -1.080 0.053 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.548 -2.583 1.001 1.00 0.06 H new ATOM 373 N VAL A 24 12.884 -1.384 -3.799 1.00 0.16 N ATOM 374 CA VAL A 24 13.483 -0.142 -4.269 1.00 0.15 C ATOM 375 C VAL A 24 13.406 0.928 -3.183 1.00 0.15 C ATOM 376 O VAL A 24 12.320 1.357 -2.800 1.00 0.15 O ATOM 377 CB VAL A 24 12.791 0.374 -5.550 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.375 1.712 -5.977 1.00 0.17 C ATOM 379 CG2 VAL A 24 12.912 -0.648 -6.672 1.00 0.18 C ATOM 0 H VAL A 24 11.965 -1.585 -4.192 1.00 0.16 H new ATOM 0 HA VAL A 24 14.527 -0.351 -4.504 1.00 0.15 H new ATOM 0 HB VAL A 24 11.733 0.520 -5.331 1.00 0.17 H new ATOM 0 HG11 VAL A 24 12.873 2.056 -6.881 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.231 2.443 -5.181 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.441 1.597 -6.175 1.00 0.17 H new ATOM 0 HG21 VAL A 24 12.419 -0.267 -7.566 1.00 0.18 H new ATOM 0 HG22 VAL A 24 13.965 -0.829 -6.888 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.439 -1.581 -6.367 1.00 0.18 H new ATOM 389 N GLY A 25 14.561 1.359 -2.691 1.00 0.14 N ATOM 390 CA GLY A 25 14.593 2.367 -1.650 1.00 0.13 C ATOM 391 C GLY A 25 15.248 3.644 -2.119 1.00 0.11 C ATOM 392 O GLY A 25 16.071 4.229 -1.413 1.00 0.08 O ATOM 0 H GLY A 25 15.477 1.028 -2.995 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.576 2.581 -1.321 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.133 1.979 -0.786 1.00 0.13 H new ATOM 396 N ALA A 26 14.881 4.083 -3.309 1.00 0.15 N ATOM 397 CA ALA A 26 15.446 5.293 -3.883 1.00 0.17 C ATOM 398 C ALA A 26 14.677 6.528 -3.433 1.00 0.12 C ATOM 399 O ALA A 26 14.105 7.246 -4.253 1.00 0.19 O ATOM 400 CB ALA A 26 15.455 5.195 -5.399 1.00 0.27 C ATOM 0 H ALA A 26 14.191 3.618 -3.900 1.00 0.15 H new ATOM 0 HA ALA A 26 16.472 5.392 -3.528 1.00 0.17 H new ATOM 0 HB1 ALA A 26 15.880 6.106 -5.820 1.00 0.27 H new ATOM 0 HB2 ALA A 26 16.057 4.339 -5.705 1.00 0.27 H new ATOM 0 HB3 ALA A 26 14.435 5.069 -5.762 1.00 0.27 H new ATOM 406 N GLU A 27 14.651 6.760 -2.127 1.00 0.11 N ATOM 407 CA GLU A 27 13.959 7.911 -1.570 1.00 0.05 C ATOM 408 C GLU A 27 14.547 8.280 -0.205 1.00 0.10 C ATOM 409 O GLU A 27 15.601 8.912 -0.134 1.00 0.20 O ATOM 410 CB GLU A 27 12.444 7.653 -1.482 1.00 0.11 C ATOM 411 CG GLU A 27 12.069 6.278 -0.946 1.00 0.78 C ATOM 412 CD GLU A 27 10.976 6.356 0.097 1.00 1.22 C ATOM 413 OE1 GLU A 27 11.240 6.915 1.183 1.00 1.46 O ATOM 414 OE2 GLU A 27 9.857 5.875 -0.173 1.00 1.58 O1- ATOM 0 H GLU A 27 15.103 6.164 -1.434 1.00 0.11 H new ATOM 0 HA GLU A 27 14.106 8.760 -2.238 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.995 8.413 -0.843 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.009 7.773 -2.474 1.00 0.11 H new ATOM 0 HG2 GLU A 27 11.740 5.645 -1.770 1.00 0.78 H new ATOM 0 HG3 GLU A 27 12.950 5.805 -0.513 1.00 0.78 H new ATOM 421 N SER A 28 13.892 7.874 0.870 1.00 0.11 N ATOM 422 CA SER A 28 14.365 8.177 2.205 1.00 0.17 C ATOM 423 C SER A 28 14.789 6.900 2.924 1.00 0.18 C ATOM 424 O SER A 28 13.995 5.971 3.078 1.00 0.15 O ATOM 425 CB SER A 28 13.268 8.901 2.989 1.00 0.18 C ATOM 426 OG SER A 28 13.579 8.992 4.373 1.00 0.26 O ATOM 0 H SER A 28 13.028 7.332 0.841 1.00 0.11 H new ATOM 0 HA SER A 28 15.236 8.829 2.135 1.00 0.17 H new ATOM 0 HB2 SER A 28 13.131 9.902 2.581 1.00 0.18 H new ATOM 0 HB3 SER A 28 12.323 8.373 2.863 1.00 0.18 H new ATOM 0 HG SER A 28 12.749 9.009 4.894 1.00 0.26 H new ATOM 432 N PRO A 29 16.049 6.846 3.391 1.00 0.23 N ATOM 433 CA PRO A 29 16.590 5.680 4.099 1.00 0.26 C ATOM 434 C PRO A 29 15.860 5.403 5.411 1.00 0.28 C ATOM 435 O PRO A 29 15.990 4.321 5.988 1.00 0.34 O ATOM 436 CB PRO A 29 18.048 6.059 4.370 1.00 0.31 C ATOM 437 CG PRO A 29 18.083 7.543 4.283 1.00 0.31 C ATOM 438 CD PRO A 29 17.051 7.917 3.259 1.00 0.25 C ATOM 0 HA PRO A 29 16.478 4.768 3.512 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.369 5.714 5.353 1.00 0.31 H new ATOM 0 HB3 PRO A 29 18.716 5.605 3.638 1.00 0.31 H new ATOM 0 HG2 PRO A 29 17.858 7.997 5.248 1.00 0.31 H new ATOM 0 HG3 PRO A 29 19.072 7.894 3.988 1.00 0.31 H new ATOM 0 HD2 PRO A 29 16.621 8.898 3.459 1.00 0.25 H new ATOM 0 HD3 PRO A 29 17.473 7.953 2.255 1.00 0.25 H new ATOM 446 N ALA A 30 15.093 6.381 5.873 1.00 0.27 N ATOM 447 CA ALA A 30 14.338 6.245 7.107 1.00 0.30 C ATOM 448 C ALA A 30 12.930 5.739 6.820 1.00 0.18 C ATOM 449 O ALA A 30 12.405 4.891 7.539 1.00 0.15 O ATOM 450 CB ALA A 30 14.281 7.575 7.844 1.00 0.41 C ATOM 0 H ALA A 30 14.978 7.281 5.407 1.00 0.27 H new ATOM 0 HA ALA A 30 14.844 5.517 7.741 1.00 0.30 H new ATOM 0 HB1 ALA A 30 13.712 7.456 8.766 1.00 0.41 H new ATOM 0 HB2 ALA A 30 15.293 7.903 8.082 1.00 0.41 H new ATOM 0 HB3 ALA A 30 13.797 8.320 7.213 1.00 0.41 H new ATOM 456 N HIS A 31 12.331 6.244 5.748 1.00 0.13 N ATOM 457 CA HIS A 31 10.978 5.848 5.372 1.00 0.10 C ATOM 458 C HIS A 31 10.931 4.379 4.994 1.00 0.09 C ATOM 459 O HIS A 31 10.030 3.655 5.413 1.00 0.19 O ATOM 460 CB HIS A 31 10.458 6.698 4.210 1.00 0.21 C ATOM 461 CG HIS A 31 9.970 8.050 4.625 1.00 0.05 C ATOM 462 ND1 HIS A 31 10.812 9.077 4.995 1.00 0.28 N ATOM 463 CD2 HIS A 31 8.713 8.543 4.735 1.00 0.12 C ATOM 464 CE1 HIS A 31 10.096 10.136 5.315 1.00 0.41 C ATOM 465 NE2 HIS A 31 8.821 9.841 5.166 1.00 0.32 N ATOM 0 H HIS A 31 12.760 6.928 5.124 1.00 0.13 H new ATOM 0 HA HIS A 31 10.336 6.011 6.238 1.00 0.10 H new ATOM 0 HB2 HIS A 31 11.254 6.819 3.475 1.00 0.21 H new ATOM 0 HB3 HIS A 31 9.646 6.164 3.716 1.00 0.21 H new ATOM 0 HD2 HIS A 31 7.796 8.013 4.523 1.00 0.12 H new ATOM 0 HE1 HIS A 31 10.489 11.087 5.644 1.00 0.41 H new ATOM 0 HE2 HIS A 31 8.041 10.474 5.342 1.00 0.32 H new ATOM 474 N ILE A 32 11.924 3.941 4.222 1.00 0.08 N ATOM 475 CA ILE A 32 12.008 2.551 3.776 1.00 0.20 C ATOM 476 C ILE A 32 12.015 1.573 4.953 1.00 0.27 C ATOM 477 O ILE A 32 11.619 0.420 4.810 1.00 0.36 O ATOM 478 CB ILE A 32 13.255 2.304 2.899 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.532 2.694 3.652 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.136 3.085 1.597 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.803 2.145 3.042 1.00 0.30 C ATOM 0 H ILE A 32 12.686 4.533 3.891 1.00 0.08 H new ATOM 0 HA ILE A 32 11.115 2.372 3.177 1.00 0.20 H new ATOM 0 HB ILE A 32 13.315 1.241 2.665 1.00 0.23 H new ATOM 0 HG12 ILE A 32 14.600 3.781 3.690 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.455 2.343 4.681 1.00 0.25 H new ATOM 0 HG21 ILE A 32 14.019 2.906 0.983 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.247 2.759 1.057 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.057 4.150 1.817 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.659 2.467 3.634 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.759 1.056 3.029 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.907 2.516 2.022 1.00 0.30 H new ATOM 493 N ARG A 33 12.458 2.037 6.118 1.00 0.25 N ATOM 494 CA ARG A 33 12.487 1.189 7.306 1.00 0.32 C ATOM 495 C ARG A 33 11.081 1.040 7.873 1.00 0.34 C ATOM 496 O ARG A 33 10.684 -0.037 8.313 1.00 0.57 O ATOM 497 CB ARG A 33 13.424 1.756 8.378 1.00 0.34 C ATOM 498 CG ARG A 33 14.774 1.057 8.444 1.00 0.38 C ATOM 499 CD ARG A 33 15.608 1.332 7.204 1.00 0.37 C ATOM 500 NE ARG A 33 16.891 0.627 7.239 1.00 0.36 N ATOM 501 CZ ARG A 33 18.033 1.127 6.765 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.068 2.349 6.243 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 19.145 0.404 6.821 1.00 0.84 N ATOM 0 H ARG A 33 12.799 2.987 6.265 1.00 0.25 H new ATOM 0 HA ARG A 33 12.867 0.211 7.010 1.00 0.32 H new ATOM 0 HB2 ARG A 33 13.583 2.817 8.184 1.00 0.34 H new ATOM 0 HB3 ARG A 33 12.937 1.679 9.350 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.315 1.392 9.329 1.00 0.38 H new ATOM 0 HG3 ARG A 33 14.623 -0.017 8.551 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.051 1.028 6.318 1.00 0.37 H new ATOM 0 HD3 ARG A 33 15.785 2.404 7.117 1.00 0.37 H new ATOM 0 HE ARG A 33 16.913 -0.305 7.652 1.00 0.36 H new ATOM 0 HH11 ARG A 33 17.218 2.911 6.203 1.00 1.01 H new ATOM 0 HH12 ARG A 33 18.945 2.725 5.882 1.00 1.01 H new ATOM 0 HH21 ARG A 33 19.125 -0.532 7.226 1.00 0.84 H new ATOM 0 HH22 ARG A 33 20.019 0.784 6.459 1.00 0.84 H new ATOM 517 N LEU A 34 10.326 2.132 7.838 1.00 0.14 N ATOM 518 CA LEU A 34 8.957 2.140 8.338 1.00 0.15 C ATOM 519 C LEU A 34 8.037 1.390 7.381 1.00 0.16 C ATOM 520 O LEU A 34 7.019 0.834 7.796 1.00 0.17 O ATOM 521 CB LEU A 34 8.458 3.577 8.529 1.00 0.13 C ATOM 522 CG LEU A 34 8.780 4.210 9.888 1.00 0.07 C ATOM 523 CD1 LEU A 34 10.254 4.577 9.986 1.00 0.12 C ATOM 524 CD2 LEU A 34 7.912 5.436 10.120 1.00 0.04 C ATOM 0 H LEU A 34 10.642 3.028 7.466 1.00 0.14 H new ATOM 0 HA LEU A 34 8.945 1.637 9.305 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.889 4.200 7.746 1.00 0.13 H new ATOM 0 HB3 LEU A 34 7.377 3.590 8.388 1.00 0.13 H new ATOM 0 HG LEU A 34 8.563 3.475 10.663 1.00 0.07 H new ATOM 0 HD11 LEU A 34 10.454 5.024 10.960 1.00 0.12 H new ATOM 0 HD12 LEU A 34 10.861 3.680 9.867 1.00 0.12 H new ATOM 0 HD13 LEU A 34 10.504 5.291 9.201 1.00 0.12 H new ATOM 0 HD21 LEU A 34 8.152 5.874 11.089 1.00 0.04 H new ATOM 0 HD22 LEU A 34 8.099 6.168 9.334 1.00 0.04 H new ATOM 0 HD23 LEU A 34 6.861 5.146 10.104 1.00 0.04 H new ATOM 536 N VAL A 35 8.407 1.386 6.101 1.00 0.16 N ATOM 537 CA VAL A 35 7.642 0.697 5.065 1.00 0.16 C ATOM 538 C VAL A 35 7.421 -0.766 5.445 1.00 0.13 C ATOM 539 O VAL A 35 6.303 -1.280 5.391 1.00 0.12 O ATOM 540 CB VAL A 35 8.372 0.756 3.702 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.666 -0.099 2.667 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.486 2.188 3.205 1.00 0.25 C ATOM 0 H VAL A 35 9.242 1.858 5.755 1.00 0.16 H new ATOM 0 HA VAL A 35 6.681 1.203 4.978 1.00 0.16 H new ATOM 0 HB VAL A 35 9.376 0.360 3.852 1.00 0.20 H new ATOM 0 HG11 VAL A 35 8.201 -0.039 1.719 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.643 -1.135 3.005 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.646 0.261 2.532 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.003 2.200 2.246 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.489 2.612 3.085 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.048 2.780 3.927 1.00 0.25 H new ATOM 552 N ALA A 36 8.501 -1.417 5.853 1.00 0.14 N ATOM 553 CA ALA A 36 8.456 -2.818 6.243 1.00 0.15 C ATOM 554 C ALA A 36 7.646 -3.017 7.516 1.00 0.12 C ATOM 555 O ALA A 36 6.842 -3.944 7.612 1.00 0.11 O ATOM 556 CB ALA A 36 9.866 -3.343 6.426 1.00 0.18 C ATOM 0 H ALA A 36 9.426 -0.993 5.923 1.00 0.14 H new ATOM 0 HA ALA A 36 7.962 -3.378 5.449 1.00 0.15 H new ATOM 0 HB1 ALA A 36 9.828 -4.392 6.718 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.415 -3.246 5.489 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.370 -2.768 7.203 1.00 0.18 H new ATOM 562 N ALA A 37 7.851 -2.129 8.481 1.00 0.13 N ATOM 563 CA ALA A 37 7.154 -2.198 9.761 1.00 0.11 C ATOM 564 C ALA A 37 5.643 -2.091 9.580 1.00 0.14 C ATOM 565 O ALA A 37 4.881 -2.799 10.236 1.00 0.20 O ATOM 566 CB ALA A 37 7.652 -1.099 10.684 1.00 0.13 C ATOM 0 H ALA A 37 8.500 -1.346 8.401 1.00 0.13 H new ATOM 0 HA ALA A 37 7.367 -3.168 10.209 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.126 -1.158 11.637 1.00 0.13 H new ATOM 0 HB2 ALA A 37 8.722 -1.222 10.852 1.00 0.13 H new ATOM 0 HB3 ALA A 37 7.466 -0.127 10.227 1.00 0.13 H new ATOM 572 N PHE A 38 5.222 -1.213 8.679 1.00 0.15 N ATOM 573 CA PHE A 38 3.804 -1.004 8.409 1.00 0.21 C ATOM 574 C PHE A 38 3.139 -2.293 7.929 1.00 0.21 C ATOM 575 O PHE A 38 2.000 -2.593 8.296 1.00 0.28 O ATOM 576 CB PHE A 38 3.630 0.097 7.360 1.00 0.26 C ATOM 577 CG PHE A 38 2.275 0.743 7.375 1.00 0.34 C ATOM 578 CD1 PHE A 38 1.928 1.629 8.384 1.00 0.41 C ATOM 579 CD2 PHE A 38 1.350 0.468 6.381 1.00 0.35 C ATOM 580 CE1 PHE A 38 0.684 2.228 8.400 1.00 0.50 C ATOM 581 CE2 PHE A 38 0.104 1.065 6.392 1.00 0.43 C ATOM 582 CZ PHE A 38 -0.230 1.947 7.403 1.00 0.50 C ATOM 0 H PHE A 38 5.845 -0.631 8.120 1.00 0.15 H new ATOM 0 HA PHE A 38 3.321 -0.699 9.337 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.389 0.863 7.522 1.00 0.26 H new ATOM 0 HB3 PHE A 38 3.809 -0.325 6.371 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.639 1.853 9.166 1.00 0.41 H new ATOM 0 HD2 PHE A 38 1.606 -0.220 5.589 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.426 2.916 9.192 1.00 0.50 H new ATOM 0 HE2 PHE A 38 -0.609 0.843 5.611 1.00 0.43 H new ATOM 0 HZ PHE A 38 -1.203 2.415 7.413 1.00 0.50 H new ATOM 592 N VAL A 39 3.859 -3.058 7.123 1.00 0.16 N ATOM 593 CA VAL A 39 3.340 -4.312 6.592 1.00 0.17 C ATOM 594 C VAL A 39 3.452 -5.432 7.621 1.00 0.16 C ATOM 595 O VAL A 39 2.493 -6.170 7.859 1.00 0.18 O ATOM 596 CB VAL A 39 4.091 -4.728 5.313 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.497 -5.998 4.728 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.066 -3.608 4.289 1.00 0.15 C ATOM 0 H VAL A 39 4.807 -2.833 6.821 1.00 0.16 H new ATOM 0 HA VAL A 39 2.289 -4.147 6.353 1.00 0.17 H new ATOM 0 HB VAL A 39 5.129 -4.928 5.579 1.00 0.15 H new ATOM 0 HG11 VAL A 39 4.043 -6.273 3.826 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.572 -6.804 5.457 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.449 -5.829 4.481 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.602 -3.922 3.393 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.033 -3.374 4.031 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.545 -2.722 4.707 1.00 0.15 H new ATOM 608 N ASP A 40 4.627 -5.539 8.234 1.00 0.12 N ATOM 609 CA ASP A 40 4.902 -6.566 9.241 1.00 0.11 C ATOM 610 C ASP A 40 3.860 -6.532 10.359 1.00 0.12 C ATOM 611 O ASP A 40 3.377 -7.576 10.810 1.00 0.13 O ATOM 612 CB ASP A 40 6.308 -6.354 9.816 1.00 0.09 C ATOM 613 CG ASP A 40 6.662 -7.333 10.917 1.00 0.09 C ATOM 614 OD1 ASP A 40 7.122 -8.452 10.603 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.513 -6.974 12.102 1.00 1.14 O1- ATOM 0 H ASP A 40 5.416 -4.919 8.049 1.00 0.12 H new ATOM 0 HA ASP A 40 4.848 -7.545 8.765 1.00 0.11 H new ATOM 0 HB2 ASP A 40 7.039 -6.443 9.012 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.384 -5.338 10.205 1.00 0.09 H new ATOM 620 N ASP A 41 3.505 -5.326 10.783 1.00 0.12 N ATOM 621 CA ASP A 41 2.520 -5.128 11.844 1.00 0.13 C ATOM 622 C ASP A 41 1.108 -5.454 11.359 1.00 0.09 C ATOM 623 O ASP A 41 0.325 -6.088 12.072 1.00 0.07 O ATOM 624 CB ASP A 41 2.580 -3.681 12.351 1.00 0.16 C ATOM 625 CG ASP A 41 1.404 -3.312 13.235 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.416 -3.672 14.430 1.00 0.22 O ATOM 627 OD2 ASP A 41 0.468 -2.649 12.743 1.00 0.12 O1- ATOM 0 H ASP A 41 3.888 -4.460 10.405 1.00 0.12 H new ATOM 0 HA ASP A 41 2.761 -5.808 12.661 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.506 -3.535 12.908 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.612 -3.004 11.497 1.00 0.16 H new ATOM 632 N LYS A 42 0.798 -5.036 10.137 1.00 0.10 N ATOM 633 CA LYS A 42 -0.524 -5.258 9.560 1.00 0.11 C ATOM 634 C LYS A 42 -0.814 -6.748 9.370 1.00 0.03 C ATOM 635 O LYS A 42 -1.903 -7.217 9.689 1.00 0.07 O ATOM 636 CB LYS A 42 -0.646 -4.511 8.229 1.00 0.19 C ATOM 637 CG LYS A 42 -2.079 -4.190 7.836 1.00 0.26 C ATOM 638 CD LYS A 42 -2.154 -2.937 6.977 1.00 0.28 C ATOM 639 CE LYS A 42 -1.924 -1.673 7.799 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.191 -1.151 8.375 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.446 -4.540 9.525 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.266 -4.869 10.257 1.00 0.11 H new ATOM 0 HB2 LYS A 42 -0.079 -3.582 8.291 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -0.189 -5.112 7.443 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -2.505 -5.032 7.291 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.682 -4.054 8.734 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.409 -2.995 6.183 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -3.130 -2.885 6.495 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -1.220 -1.886 8.603 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -1.468 -0.908 7.170 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -3.037 -0.188 8.735 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -3.925 -1.132 7.639 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -3.498 -1.767 9.154 1.00 0.38 H new ATOM 654 N MET A 43 0.160 -7.497 8.873 1.00 0.07 N ATOM 655 CA MET A 43 -0.019 -8.932 8.657 1.00 0.12 C ATOM 656 C MET A 43 -0.283 -9.650 9.974 1.00 0.16 C ATOM 657 O MET A 43 -1.041 -10.618 10.027 1.00 0.35 O ATOM 658 CB MET A 43 1.215 -9.537 7.990 1.00 0.18 C ATOM 659 CG MET A 43 1.388 -9.151 6.533 1.00 0.16 C ATOM 660 SD MET A 43 2.834 -9.928 5.788 1.00 0.26 S ATOM 661 CE MET A 43 2.325 -11.645 5.756 1.00 0.29 C ATOM 0 H MET A 43 1.079 -7.140 8.612 1.00 0.07 H new ATOM 0 HA MET A 43 -0.880 -9.062 8.002 1.00 0.12 H new ATOM 0 HB2 MET A 43 2.102 -9.228 8.544 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.157 -10.623 8.062 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.496 -9.437 5.975 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.479 -8.068 6.455 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.949 -12.197 5.053 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.433 -12.075 6.752 1.00 0.29 H new ATOM 0 HE3 MET A 43 1.283 -11.710 5.444 1.00 0.29 H new ATOM 671 N HIS A 44 0.332 -9.151 11.038 1.00 0.02 N ATOM 672 CA HIS A 44 0.186 -9.750 12.360 1.00 0.04 C ATOM 673 C HIS A 44 -1.247 -9.662 12.875 1.00 0.05 C ATOM 674 O HIS A 44 -1.740 -10.599 13.499 1.00 0.20 O ATOM 675 CB HIS A 44 1.135 -9.091 13.365 1.00 0.08 C ATOM 676 CG HIS A 44 2.453 -9.790 13.490 1.00 0.11 C ATOM 677 ND1 HIS A 44 3.548 -9.479 12.718 1.00 0.27 N ATOM 678 CD2 HIS A 44 2.844 -10.802 14.299 1.00 0.29 C ATOM 679 CE1 HIS A 44 4.553 -10.269 13.043 1.00 0.38 C ATOM 680 NE2 HIS A 44 4.153 -11.081 14.003 1.00 0.40 N ATOM 0 H HIS A 44 0.938 -8.331 11.012 1.00 0.02 H new ATOM 0 HA HIS A 44 0.444 -10.804 12.257 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.308 -8.057 13.065 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.654 -9.063 14.343 1.00 0.08 H new ATOM 0 HD1 HIS A 44 3.578 -8.750 12.005 1.00 0.27 H new ATOM 0 HD2 HIS A 44 2.236 -11.298 15.041 1.00 0.29 H new ATOM 0 HE1 HIS A 44 5.537 -10.254 12.598 1.00 0.38 H new ATOM 689 N GLU A 45 -1.928 -8.557 12.588 1.00 0.16 N ATOM 690 CA GLU A 45 -3.297 -8.370 13.061 1.00 0.15 C ATOM 691 C GLU A 45 -4.297 -9.200 12.256 1.00 0.15 C ATOM 692 O GLU A 45 -5.408 -9.460 12.722 1.00 0.17 O ATOM 693 CB GLU A 45 -3.682 -6.886 13.019 1.00 0.12 C ATOM 694 CG GLU A 45 -3.959 -6.353 11.617 1.00 0.09 C ATOM 695 CD GLU A 45 -4.333 -4.887 11.604 1.00 0.12 C ATOM 696 OE1 GLU A 45 -5.261 -4.499 12.340 1.00 0.21 O1- ATOM 697 OE2 GLU A 45 -3.703 -4.112 10.856 1.00 0.16 O ATOM 0 H GLU A 45 -1.559 -7.783 12.035 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.335 -8.719 14.093 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.568 -6.734 13.635 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.879 -6.301 13.466 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -3.075 -6.502 10.997 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.766 -6.932 11.167 1.00 0.09 H new ATOM 704 N PHE A 46 -3.905 -9.634 11.064 1.00 0.15 N ATOM 705 CA PHE A 46 -4.800 -10.423 10.222 1.00 0.14 C ATOM 706 C PHE A 46 -4.538 -11.916 10.365 1.00 0.16 C ATOM 707 O PHE A 46 -5.371 -12.737 9.975 1.00 0.17 O ATOM 708 CB PHE A 46 -4.684 -9.998 8.759 1.00 0.14 C ATOM 709 CG PHE A 46 -5.374 -8.697 8.475 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.758 -8.618 8.470 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.644 -7.550 8.223 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.398 -7.421 8.215 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.277 -6.350 7.966 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.654 -6.285 7.965 1.00 0.17 C ATOM 0 H PHE A 46 -2.985 -9.457 10.661 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.818 -10.231 10.561 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.630 -9.911 8.493 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -5.109 -10.776 8.125 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.343 -9.504 8.668 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.565 -7.593 8.227 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.477 -7.374 8.211 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.694 -5.463 7.766 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.151 -5.346 7.769 1.00 0.17 H new ATOM 724 N SER A 47 -3.385 -12.259 10.926 1.00 0.21 N ATOM 725 CA SER A 47 -3.012 -13.657 11.147 1.00 0.23 C ATOM 726 C SER A 47 -4.041 -14.367 12.028 1.00 0.21 C ATOM 727 O SER A 47 -4.185 -15.585 11.974 1.00 0.32 O ATOM 728 CB SER A 47 -1.625 -13.741 11.796 1.00 0.25 C ATOM 729 OG SER A 47 -1.648 -13.260 13.132 1.00 0.76 O ATOM 0 H SER A 47 -2.686 -11.586 11.239 1.00 0.21 H new ATOM 0 HA SER A 47 -2.985 -14.155 10.178 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.279 -14.775 11.786 1.00 0.25 H new ATOM 0 HB3 SER A 47 -0.912 -13.160 11.211 1.00 0.25 H new ATOM 0 HG SER A 47 -1.393 -12.314 13.143 1.00 0.76 H new ATOM 735 N GLU A 48 -4.764 -13.588 12.826 1.00 0.09 N ATOM 736 CA GLU A 48 -5.777 -14.129 13.727 1.00 0.08 C ATOM 737 C GLU A 48 -7.178 -13.978 13.132 1.00 0.10 C ATOM 738 O GLU A 48 -8.182 -14.258 13.792 1.00 0.07 O ATOM 739 CB GLU A 48 -5.705 -13.437 15.093 1.00 0.11 C ATOM 740 CG GLU A 48 -5.632 -11.920 15.015 1.00 0.06 C ATOM 741 CD GLU A 48 -6.102 -11.252 16.283 1.00 0.28 C ATOM 742 OE1 GLU A 48 -5.289 -11.090 17.213 1.00 0.49 O1- ATOM 743 OE2 GLU A 48 -7.290 -10.879 16.347 1.00 0.61 O ATOM 0 H GLU A 48 -4.666 -12.574 12.867 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.575 -15.192 13.860 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -6.580 -13.719 15.678 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -4.831 -13.805 15.630 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -4.605 -11.619 14.809 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -6.239 -11.573 14.179 1.00 0.06 H new ATOM 750 N LYS A 49 -7.242 -13.527 11.888 1.00 0.14 N ATOM 751 CA LYS A 49 -8.517 -13.352 11.207 1.00 0.18 C ATOM 752 C LYS A 49 -8.683 -14.432 10.146 1.00 0.27 C ATOM 753 O LYS A 49 -9.685 -15.144 10.131 1.00 0.38 O ATOM 754 CB LYS A 49 -8.611 -11.958 10.569 1.00 0.12 C ATOM 755 CG LYS A 49 -8.556 -10.813 11.575 1.00 0.20 C ATOM 756 CD LYS A 49 -9.860 -10.669 12.349 1.00 0.43 C ATOM 757 CE LYS A 49 -10.904 -9.870 11.580 1.00 0.64 C ATOM 758 NZ LYS A 49 -12.246 -9.968 12.214 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.426 -13.276 11.329 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.319 -13.441 11.940 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -7.796 -11.840 9.855 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.541 -11.889 10.005 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -7.737 -10.984 12.274 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.340 -9.881 11.052 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -10.257 -11.659 12.575 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -9.662 -10.180 13.303 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -10.600 -8.825 11.532 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -10.958 -10.234 10.554 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -12.931 -9.412 11.664 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -12.547 -10.963 12.238 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -12.199 -9.597 13.185 1.00 0.88 H new ATOM 772 N GLN A 50 -7.670 -14.555 9.284 1.00 0.30 N ATOM 773 CA GLN A 50 -7.657 -15.548 8.206 1.00 0.41 C ATOM 774 C GLN A 50 -8.904 -15.431 7.330 1.00 0.29 C ATOM 775 O GLN A 50 -9.882 -16.144 7.540 1.00 0.47 O ATOM 776 CB GLN A 50 -7.548 -16.965 8.781 1.00 0.63 C ATOM 777 CG GLN A 50 -6.474 -17.110 9.847 1.00 0.78 C ATOM 778 CD GLN A 50 -7.015 -17.669 11.148 1.00 0.93 C ATOM 779 OE1 GLN A 50 -7.943 -18.606 11.051 1.00 0.94 O flip ATOM 780 NE2 GLN A 50 -6.598 -17.268 12.233 1.00 1.07 N flip ATOM 0 H GLN A 50 -6.836 -13.969 9.314 1.00 0.30 H new ATOM 0 HA GLN A 50 -6.784 -15.351 7.584 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -8.510 -17.250 9.206 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -7.339 -17.662 7.969 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -5.685 -17.763 9.476 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -6.020 -16.137 10.035 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -5.881 -16.543 12.268 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -6.969 -17.660 13.098 1.00 1.07 H new ATOM 789 N PRO A 51 -8.876 -14.540 6.320 1.00 0.11 N ATOM 790 CA PRO A 51 -10.020 -14.329 5.423 1.00 0.09 C ATOM 791 C PRO A 51 -10.447 -15.609 4.706 1.00 0.05 C ATOM 792 O PRO A 51 -11.625 -15.962 4.692 1.00 0.20 O ATOM 793 CB PRO A 51 -9.510 -13.291 4.410 1.00 0.32 C ATOM 794 CG PRO A 51 -8.026 -13.305 4.540 1.00 0.44 C ATOM 795 CD PRO A 51 -7.738 -13.670 5.969 1.00 0.34 C ATOM 0 HA PRO A 51 -10.903 -14.004 5.973 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.818 -13.548 3.396 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -9.914 -12.302 4.625 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.581 -14.028 3.856 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -7.604 -12.331 4.294 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -6.785 -14.190 6.069 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.690 -12.789 6.609 1.00 0.34 H new ATOM 803 N MET A 52 -9.482 -16.304 4.117 1.00 0.10 N ATOM 804 CA MET A 52 -9.763 -17.540 3.401 1.00 0.14 C ATOM 805 C MET A 52 -8.900 -18.682 3.927 1.00 0.14 C ATOM 806 O MET A 52 -8.781 -19.726 3.284 1.00 0.16 O ATOM 807 CB MET A 52 -9.529 -17.349 1.899 1.00 0.25 C ATOM 808 CG MET A 52 -10.545 -16.426 1.248 1.00 0.17 C ATOM 809 SD MET A 52 -10.700 -16.699 -0.523 1.00 0.22 S ATOM 810 CE MET A 52 -12.242 -15.845 -0.834 1.00 1.11 C ATOM 0 H MET A 52 -8.499 -16.032 4.121 1.00 0.10 H new ATOM 0 HA MET A 52 -10.809 -17.798 3.566 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.529 -16.946 1.742 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.562 -18.321 1.406 1.00 0.25 H new ATOM 0 HG2 MET A 52 -11.517 -16.572 1.720 1.00 0.17 H new ATOM 0 HG3 MET A 52 -10.256 -15.390 1.428 1.00 0.17 H new ATOM 0 HE1 MET A 52 -13.024 -16.573 -1.052 1.00 1.11 H new ATOM 0 HE2 MET A 52 -12.521 -15.266 0.046 1.00 1.11 H new ATOM 0 HE3 MET A 52 -12.122 -15.176 -1.686 1.00 1.11 H new ATOM 820 N LEU A 53 -8.314 -18.473 5.108 1.00 0.15 N ATOM 821 CA LEU A 53 -7.453 -19.472 5.746 1.00 0.17 C ATOM 822 C LEU A 53 -6.326 -19.909 4.814 1.00 0.20 C ATOM 823 O LEU A 53 -6.012 -21.094 4.697 1.00 0.41 O ATOM 824 CB LEU A 53 -8.279 -20.681 6.196 1.00 0.19 C ATOM 825 CG LEU A 53 -8.894 -20.558 7.593 1.00 0.36 C ATOM 826 CD1 LEU A 53 -10.056 -19.575 7.597 1.00 0.31 C ATOM 827 CD2 LEU A 53 -9.345 -21.915 8.096 1.00 0.51 C ATOM 0 H LEU A 53 -8.421 -17.613 5.646 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.999 -19.012 6.624 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -9.080 -20.844 5.475 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.644 -21.566 6.171 1.00 0.19 H new ATOM 0 HG LEU A 53 -8.127 -20.174 8.265 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.473 -19.508 8.602 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -9.702 -18.592 7.285 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -10.826 -19.919 6.907 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -9.779 -21.809 9.090 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -10.091 -22.326 7.416 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -8.489 -22.588 8.144 1.00 0.51 H new ATOM 839 N ASP A 54 -5.722 -18.939 4.151 1.00 0.04 N ATOM 840 CA ASP A 54 -4.633 -19.208 3.229 1.00 0.08 C ATOM 841 C ASP A 54 -3.511 -18.205 3.460 1.00 0.06 C ATOM 842 O ASP A 54 -3.773 -17.031 3.721 1.00 0.07 O ATOM 843 CB ASP A 54 -5.139 -19.135 1.788 1.00 0.12 C ATOM 844 CG ASP A 54 -4.165 -19.720 0.790 1.00 0.14 C ATOM 845 OD1 ASP A 54 -3.505 -20.726 1.116 1.00 0.47 O1- ATOM 846 OD2 ASP A 54 -4.066 -19.178 -0.329 1.00 0.21 O ATOM 0 H ASP A 54 -5.969 -17.953 4.235 1.00 0.04 H new ATOM 0 HA ASP A 54 -4.246 -20.212 3.404 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -6.088 -19.665 1.715 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.335 -18.094 1.530 1.00 0.12 H new ATOM 851 N VAL A 55 -2.272 -18.670 3.375 1.00 0.06 N ATOM 852 CA VAL A 55 -1.109 -17.814 3.610 1.00 0.07 C ATOM 853 C VAL A 55 -0.996 -16.672 2.586 1.00 0.06 C ATOM 854 O VAL A 55 -1.015 -15.502 2.975 1.00 0.06 O ATOM 855 CB VAL A 55 0.205 -18.627 3.639 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.370 -17.763 4.102 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.059 -19.845 4.535 1.00 0.13 C ATOM 0 H VAL A 55 -2.042 -19.637 3.145 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.265 -17.366 4.591 1.00 0.07 H new ATOM 0 HB VAL A 55 0.415 -18.965 2.624 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.283 -18.359 4.114 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.494 -16.923 3.419 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.169 -17.388 5.106 1.00 0.08 H new ATOM 0 HG21 VAL A 55 0.994 -20.405 4.543 1.00 0.13 H new ATOM 0 HG22 VAL A 55 -0.180 -19.524 5.549 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.742 -20.481 4.157 1.00 0.13 H new ATOM 867 N PRO A 56 -0.887 -16.966 1.269 1.00 0.05 N ATOM 868 CA PRO A 56 -0.766 -15.914 0.247 1.00 0.04 C ATOM 869 C PRO A 56 -1.968 -14.972 0.216 1.00 0.04 C ATOM 870 O PRO A 56 -1.819 -13.773 -0.030 1.00 0.04 O ATOM 871 CB PRO A 56 -0.660 -16.688 -1.074 1.00 0.05 C ATOM 872 CG PRO A 56 -1.184 -18.047 -0.777 1.00 0.06 C ATOM 873 CD PRO A 56 -0.860 -18.313 0.664 1.00 0.06 C ATOM 0 HA PRO A 56 0.090 -15.269 0.447 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.241 -16.206 -1.860 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.372 -16.732 -1.422 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.259 -18.096 -0.950 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.722 -18.793 -1.424 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.591 -18.977 1.125 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.116 -18.786 0.777 1.00 0.06 H new ATOM 881 N LYS A 57 -3.152 -15.510 0.493 1.00 0.05 N ATOM 882 CA LYS A 57 -4.374 -14.710 0.482 1.00 0.05 C ATOM 883 C LYS A 57 -4.432 -13.776 1.690 1.00 0.06 C ATOM 884 O LYS A 57 -5.211 -12.824 1.713 1.00 0.08 O ATOM 885 CB LYS A 57 -5.606 -15.615 0.432 1.00 0.06 C ATOM 886 CG LYS A 57 -5.670 -16.452 -0.834 1.00 0.09 C ATOM 887 CD LYS A 57 -6.965 -17.234 -0.933 1.00 0.11 C ATOM 888 CE LYS A 57 -7.018 -18.049 -2.217 1.00 0.12 C ATOM 889 NZ LYS A 57 -6.047 -19.180 -2.212 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.292 -16.493 0.727 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.366 -14.091 -0.415 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.601 -16.276 1.299 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.505 -15.002 0.503 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -5.572 -15.802 -1.704 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -4.827 -17.143 -0.855 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -7.059 -17.898 -0.074 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -7.811 -16.548 -0.899 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -8.026 -18.440 -2.355 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -6.809 -17.398 -3.066 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -5.458 -19.135 -3.068 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -5.440 -19.113 -1.370 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -6.565 -20.082 -2.195 1.00 0.10 H new ATOM 903 N LEU A 58 -3.607 -14.055 2.692 1.00 0.05 N ATOM 904 CA LEU A 58 -3.547 -13.225 3.889 1.00 0.06 C ATOM 905 C LEU A 58 -2.588 -12.065 3.649 1.00 0.06 C ATOM 906 O LEU A 58 -2.836 -10.933 4.063 1.00 0.08 O ATOM 907 CB LEU A 58 -3.084 -14.056 5.091 1.00 0.06 C ATOM 908 CG LEU A 58 -3.171 -13.365 6.458 1.00 0.11 C ATOM 909 CD1 LEU A 58 -3.969 -14.221 7.422 1.00 0.07 C ATOM 910 CD2 LEU A 58 -1.776 -13.094 7.009 1.00 0.17 C ATOM 0 H LEU A 58 -2.969 -14.851 2.699 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.541 -12.834 4.106 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.680 -14.968 5.128 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -2.050 -14.357 4.923 1.00 0.06 H new ATOM 0 HG LEU A 58 -3.680 -12.409 6.337 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -4.026 -13.723 8.390 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -4.975 -14.368 7.030 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -3.480 -15.188 7.540 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -1.857 -12.604 7.979 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -1.240 -14.036 7.122 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -1.232 -12.448 6.320 1.00 0.17 H new ATOM 922 N ALA A 59 -1.497 -12.365 2.956 1.00 0.05 N ATOM 923 CA ALA A 59 -0.485 -11.368 2.643 1.00 0.06 C ATOM 924 C ALA A 59 -1.032 -10.309 1.690 1.00 0.08 C ATOM 925 O ALA A 59 -0.861 -9.112 1.916 1.00 0.11 O ATOM 926 CB ALA A 59 0.744 -12.038 2.049 1.00 0.06 C ATOM 0 H ALA A 59 -1.291 -13.298 2.598 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.200 -10.868 3.569 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.495 -11.282 1.819 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.153 -12.749 2.767 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.466 -12.564 1.135 1.00 0.06 H new ATOM 932 N VAL A 60 -1.715 -10.754 0.640 1.00 0.05 N ATOM 933 CA VAL A 60 -2.278 -9.834 -0.342 1.00 0.07 C ATOM 934 C VAL A 60 -3.403 -8.993 0.270 1.00 0.07 C ATOM 935 O VAL A 60 -3.709 -7.901 -0.213 1.00 0.08 O ATOM 936 CB VAL A 60 -2.802 -10.577 -1.596 1.00 0.07 C ATOM 937 CG1 VAL A 60 -4.122 -11.276 -1.315 1.00 0.07 C ATOM 938 CG2 VAL A 60 -2.940 -9.616 -2.767 1.00 0.08 C ATOM 0 H VAL A 60 -1.891 -11.740 0.448 1.00 0.05 H new ATOM 0 HA VAL A 60 -1.469 -9.172 -0.652 1.00 0.07 H new ATOM 0 HB VAL A 60 -2.072 -11.343 -1.860 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.462 -11.788 -2.216 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -3.986 -12.003 -0.514 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -4.867 -10.539 -1.013 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -3.309 -10.156 -3.639 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -3.642 -8.824 -2.507 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -1.968 -9.179 -2.996 1.00 0.08 H new ATOM 948 N LEU A 61 -3.999 -9.496 1.350 1.00 0.07 N ATOM 949 CA LEU A 61 -5.075 -8.783 2.024 1.00 0.08 C ATOM 950 C LEU A 61 -4.562 -7.461 2.584 1.00 0.08 C ATOM 951 O LEU A 61 -5.240 -6.438 2.515 1.00 0.08 O ATOM 952 CB LEU A 61 -5.671 -9.631 3.148 1.00 0.10 C ATOM 953 CG LEU A 61 -6.961 -9.081 3.753 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.147 -9.388 2.852 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.181 -9.647 5.146 1.00 0.07 C ATOM 0 H LEU A 61 -3.754 -10.391 1.773 1.00 0.07 H new ATOM 0 HA LEU A 61 -5.858 -8.581 1.293 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -5.865 -10.633 2.764 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -4.929 -9.731 3.940 1.00 0.10 H new ATOM 0 HG LEU A 61 -6.868 -7.998 3.836 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.057 -8.988 3.300 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -7.991 -8.929 1.876 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.244 -10.467 2.734 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.105 -9.244 5.561 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.252 -10.733 5.090 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.344 -9.371 5.787 1.00 0.07 H new ATOM 967 N THR A 62 -3.354 -7.483 3.130 1.00 0.10 N ATOM 968 CA THR A 62 -2.763 -6.275 3.682 1.00 0.11 C ATOM 969 C THR A 62 -2.375 -5.325 2.555 1.00 0.10 C ATOM 970 O THR A 62 -2.525 -4.112 2.673 1.00 0.13 O ATOM 971 CB THR A 62 -1.530 -6.578 4.557 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.492 -7.186 3.778 1.00 0.12 O ATOM 973 CG2 THR A 62 -1.903 -7.498 5.704 1.00 0.15 C ATOM 0 H THR A 62 -2.770 -8.316 3.202 1.00 0.10 H new ATOM 0 HA THR A 62 -3.512 -5.807 4.320 1.00 0.11 H new ATOM 0 HB THR A 62 -1.166 -5.633 4.959 1.00 0.13 H new ATOM 0 HG1 THR A 62 -0.891 -7.784 3.112 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.020 -7.700 6.310 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.665 -7.021 6.320 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.293 -8.435 5.307 1.00 0.15 H new ATOM 981 N ALA A 63 -1.911 -5.904 1.452 1.00 0.08 N ATOM 982 CA ALA A 63 -1.497 -5.140 0.284 1.00 0.08 C ATOM 983 C ALA A 63 -2.637 -4.297 -0.256 1.00 0.07 C ATOM 984 O ALA A 63 -2.501 -3.085 -0.444 1.00 0.08 O ATOM 985 CB ALA A 63 -0.996 -6.081 -0.797 1.00 0.08 C ATOM 0 H ALA A 63 -1.812 -6.913 1.344 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.693 -4.469 0.587 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.688 -5.503 -1.668 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.146 -6.649 -0.419 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -1.794 -6.767 -1.081 1.00 0.08 H new ATOM 991 N VAL A 64 -3.765 -4.944 -0.492 1.00 0.07 N ATOM 992 CA VAL A 64 -4.929 -4.266 -1.024 1.00 0.08 C ATOM 993 C VAL A 64 -5.480 -3.234 -0.034 1.00 0.09 C ATOM 994 O VAL A 64 -5.944 -2.174 -0.442 1.00 0.12 O ATOM 995 CB VAL A 64 -6.027 -5.277 -1.435 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.664 -5.941 -0.225 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.080 -4.608 -2.301 1.00 0.12 C ATOM 0 H VAL A 64 -3.897 -5.941 -0.322 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.612 -3.730 -1.919 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.546 -6.060 -2.021 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.429 -6.643 -0.556 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -5.901 -6.476 0.340 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.119 -5.181 0.410 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -7.841 -5.338 -2.578 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.544 -3.793 -1.745 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.612 -4.212 -3.203 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.387 -3.517 1.264 1.00 0.08 N ATOM 1008 CA GLN A 65 -5.893 -2.590 2.269 1.00 0.09 C ATOM 1009 C GLN A 65 -4.981 -1.373 2.397 1.00 0.07 C ATOM 1010 O GLN A 65 -5.462 -0.243 2.508 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.048 -3.268 3.627 1.00 0.10 C ATOM 1012 CG GLN A 65 -6.961 -2.492 4.569 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.965 -3.044 5.977 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -7.753 -3.926 6.310 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -6.095 -2.512 6.820 1.00 0.31 N ATOM 0 H GLN A 65 -4.971 -4.370 1.639 1.00 0.08 H new ATOM 0 HA GLN A 65 -6.877 -2.260 1.937 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -6.448 -4.272 3.484 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.066 -3.379 4.088 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -6.645 -1.449 4.595 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.977 -2.508 4.176 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -5.458 -1.781 6.502 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -6.061 -2.832 7.788 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.669 -1.606 2.373 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.692 -0.524 2.474 1.00 0.03 C ATOM 1026 C ILE A 66 -2.915 0.486 1.350 1.00 0.05 C ATOM 1027 O ILE A 66 -2.790 1.697 1.547 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.239 -1.064 2.419 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -0.881 -1.736 3.748 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.246 0.052 2.104 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.365 -2.594 3.679 1.00 1.29 C ATOM 0 H ILE A 66 -3.259 -2.536 2.284 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.832 -0.034 3.438 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.179 -1.800 1.618 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.741 -0.967 4.508 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.719 -2.353 4.070 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.764 -0.358 2.072 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.489 0.493 1.137 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.303 0.818 2.877 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.556 -3.037 4.656 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.221 -3.385 2.943 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.215 -1.978 3.388 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.269 -0.029 0.178 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.533 0.809 -0.979 1.00 0.05 C ATOM 1045 C ALA A 67 -4.659 1.792 -0.678 1.00 0.04 C ATOM 1046 O ALA A 67 -4.512 2.990 -0.897 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.875 -0.048 -2.190 1.00 0.06 C ATOM 0 H ALA A 67 -3.379 -1.028 0.007 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.633 1.379 -1.208 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -4.070 0.596 -3.048 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -3.039 -0.710 -2.415 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.762 -0.644 -1.975 1.00 0.06 H new ATOM 1053 N SER A 68 -5.770 1.281 -0.156 1.00 0.05 N ATOM 1054 CA SER A 68 -6.916 2.120 0.184 1.00 0.07 C ATOM 1055 C SER A 68 -6.565 3.109 1.298 1.00 0.08 C ATOM 1056 O SER A 68 -6.881 4.297 1.215 1.00 0.12 O ATOM 1057 CB SER A 68 -8.088 1.242 0.616 1.00 0.07 C ATOM 1058 OG SER A 68 -7.658 -0.090 0.859 1.00 0.04 O ATOM 0 H SER A 68 -5.902 0.289 0.041 1.00 0.05 H new ATOM 0 HA SER A 68 -7.196 2.692 -0.700 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.543 1.652 1.518 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.856 1.246 -0.158 1.00 0.07 H new ATOM 0 HG SER A 68 -6.982 -0.091 1.569 1.00 0.04 H new ATOM 1064 N GLU A 69 -5.871 2.613 2.322 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.478 3.433 3.464 1.00 0.14 C ATOM 1066 C GLU A 69 -4.719 4.686 3.026 1.00 0.10 C ATOM 1067 O GLU A 69 -4.893 5.760 3.607 1.00 0.10 O ATOM 1068 CB GLU A 69 -4.615 2.618 4.436 1.00 0.19 C ATOM 1069 CG GLU A 69 -5.404 1.600 5.249 1.00 0.29 C ATOM 1070 CD GLU A 69 -4.541 0.833 6.233 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -3.869 1.471 7.067 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -4.541 -0.416 6.189 1.00 0.82 O ATOM 0 H GLU A 69 -5.569 1.641 2.382 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.392 3.749 3.967 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -3.841 2.098 3.872 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.108 3.301 5.118 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -6.197 2.113 5.793 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -5.886 0.896 4.571 1.00 0.29 H new ATOM 1079 N TYR A 70 -3.899 4.548 1.992 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.112 5.666 1.494 1.00 0.04 C ATOM 1081 C TYR A 70 -3.786 6.379 0.321 1.00 0.03 C ATOM 1082 O TYR A 70 -3.510 7.552 0.069 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.720 5.189 1.090 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.785 4.985 2.262 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.097 6.057 2.817 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.588 3.724 2.814 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.761 5.879 3.885 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.267 3.540 3.882 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.938 4.619 4.415 1.00 0.44 C ATOM 1090 OH TYR A 70 1.793 4.437 5.480 1.00 0.58 O ATOM 0 H TYR A 70 -3.762 3.674 1.484 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.030 6.389 2.305 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -1.811 4.251 0.542 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.280 5.916 0.407 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.235 7.046 2.406 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -1.112 2.875 2.401 1.00 0.37 H new ATOM 0 HE1 TYR A 70 1.290 6.723 4.302 1.00 0.47 H new ATOM 0 HE2 TYR A 70 0.410 2.554 4.298 1.00 0.46 H new ATOM 0 HH TYR A 70 1.803 3.490 5.733 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.666 5.685 -0.396 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.364 6.289 -1.536 1.00 0.11 C ATOM 1102 C LEU A 71 -6.246 7.441 -1.076 1.00 0.12 C ATOM 1103 O LEU A 71 -6.228 8.524 -1.665 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.201 5.252 -2.298 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.565 4.750 -3.606 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -6.168 3.424 -4.050 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.718 5.788 -4.711 1.00 0.23 C ATOM 0 H LEU A 71 -4.914 4.713 -0.213 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.606 6.675 -2.217 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.379 4.398 -1.645 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.174 5.687 -2.526 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.504 4.591 -3.412 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.694 3.101 -4.977 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -6.004 2.673 -3.278 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -7.238 3.548 -4.214 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -5.262 5.414 -5.627 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.777 5.981 -4.885 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -5.225 6.713 -4.412 1.00 0.23 H new ATOM 1119 N LYS A 72 -7.000 7.214 -0.010 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.870 8.250 0.538 1.00 0.16 C ATOM 1121 C LYS A 72 -7.051 9.416 1.089 1.00 0.16 C ATOM 1122 O LYS A 72 -7.575 10.508 1.313 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.773 7.680 1.634 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.020 7.087 2.817 1.00 0.18 C ATOM 1125 CD LYS A 72 -8.974 6.646 3.918 1.00 0.22 C ATOM 1126 CE LYS A 72 -8.270 5.813 4.974 1.00 0.25 C ATOM 1127 NZ LYS A 72 -7.147 6.553 5.604 1.00 0.24 N1+ ATOM 0 H LYS A 72 -7.029 6.327 0.492 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.497 8.619 -0.274 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.430 8.471 1.995 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.410 6.909 1.200 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.428 6.235 2.483 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.322 7.825 3.212 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -9.420 7.524 4.385 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -9.789 6.068 3.483 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -8.986 5.518 5.741 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -7.892 4.896 4.521 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -6.980 6.181 6.561 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -6.287 6.433 5.031 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -7.386 7.563 5.662 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.762 9.176 1.300 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.863 10.196 1.819 1.00 0.05 C ATOM 1143 C LEU A 73 -4.273 11.021 0.675 1.00 0.05 C ATOM 1144 O LEU A 73 -3.904 12.179 0.853 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.748 9.538 2.640 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.766 10.501 3.311 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -3.463 11.328 4.381 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -1.599 9.732 3.906 1.00 0.24 C ATOM 0 H LEU A 73 -5.315 8.277 1.118 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.427 10.868 2.467 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.206 8.919 3.411 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.186 8.870 1.987 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.383 11.184 2.553 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -2.744 12.005 4.843 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -4.267 11.907 3.927 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -3.878 10.665 5.140 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -0.908 10.429 4.380 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -1.970 9.026 4.649 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -1.081 9.188 3.116 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.200 10.425 -0.507 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.657 11.119 -1.666 1.00 0.18 C ATOM 1162 C LYS A 74 -4.743 11.943 -2.355 1.00 0.21 C ATOM 1163 O LYS A 74 -4.453 12.957 -2.992 1.00 0.29 O ATOM 1164 CB LYS A 74 -3.019 10.129 -2.656 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.972 9.609 -3.731 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.286 8.659 -4.708 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.223 9.362 -5.539 1.00 0.26 C ATOM 1168 NZ LYS A 74 -1.988 8.673 -6.836 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.508 9.469 -0.688 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.877 11.796 -1.318 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.173 10.615 -3.142 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.622 9.281 -2.098 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -4.807 9.095 -3.254 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.389 10.452 -4.281 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -2.829 7.839 -4.155 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -4.032 8.220 -5.371 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -2.529 10.391 -5.725 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -1.291 9.404 -4.976 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -1.257 9.183 -7.372 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -1.671 7.698 -6.659 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.871 8.655 -7.385 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.996 11.514 -2.212 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.111 12.212 -2.837 1.00 0.27 C ATOM 1184 C GLU A 75 -7.381 13.545 -2.148 1.00 0.23 C ATOM 1185 O GLU A 75 -7.800 14.508 -2.792 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.371 11.329 -2.852 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.175 11.319 -1.555 1.00 0.51 C ATOM 1188 CD GLU A 75 -10.435 12.158 -1.647 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -11.266 11.892 -2.544 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -10.616 13.070 -0.813 1.00 1.57 O1- ATOM 0 H GLU A 75 -6.261 10.691 -1.671 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.838 12.424 -3.871 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -9.021 11.665 -3.660 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.075 10.306 -3.085 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -9.443 10.292 -1.305 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -8.552 11.692 -0.742 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.110 13.613 -0.848 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.338 14.842 -0.105 1.00 0.10 C ATOM 1199 C GLU A 76 -6.285 15.876 -0.478 1.00 0.05 C ATOM 1200 O GLU A 76 -6.548 17.073 -0.473 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.342 14.590 1.409 1.00 0.10 C ATOM 1202 CG GLU A 76 -5.997 14.172 1.979 1.00 0.19 C ATOM 1203 CD GLU A 76 -5.763 14.724 3.369 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -5.412 15.916 3.483 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -5.932 13.973 4.355 1.00 1.56 O ATOM 0 H GLU A 76 -6.737 12.841 -0.295 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.322 15.226 -0.373 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.671 15.497 1.915 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.075 13.815 1.634 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -5.940 13.084 2.009 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.202 14.515 1.316 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.104 15.394 -0.836 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.002 16.262 -1.226 1.00 0.05 C ATOM 1214 C TYR A 77 -4.338 16.994 -2.521 1.00 0.07 C ATOM 1215 O TYR A 77 -4.135 18.204 -2.640 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.728 15.424 -1.395 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.528 16.184 -1.926 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.261 17.488 -1.526 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -0.656 15.588 -2.829 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.164 18.174 -2.008 1.00 0.16 C ATOM 1221 CE2 TYR A 77 0.444 16.268 -3.317 1.00 0.17 C ATOM 1222 CZ TYR A 77 0.687 17.559 -2.905 1.00 0.18 C ATOM 1223 OH TYR A 77 1.781 18.236 -3.392 1.00 0.21 O ATOM 0 H TYR A 77 -4.883 14.399 -0.865 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.837 17.007 -0.448 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.466 14.989 -0.430 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.943 14.596 -2.070 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.924 17.974 -0.825 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -0.841 14.575 -3.155 1.00 0.14 H new ATOM 0 HE1 TYR A 77 0.028 19.187 -1.685 1.00 0.16 H new ATOM 0 HE2 TYR A 77 1.110 15.788 -4.019 1.00 0.17 H new ATOM 0 HH TYR A 77 2.519 17.607 -3.534 1.00 0.21 H new ATOM 1233 N GLN A 78 -4.880 16.252 -3.473 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.236 16.805 -4.770 1.00 0.13 C ATOM 1235 C GLN A 78 -6.424 17.756 -4.670 1.00 0.06 C ATOM 1236 O GLN A 78 -6.571 18.656 -5.492 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.563 15.682 -5.757 1.00 0.19 C ATOM 1238 CG GLN A 78 -4.377 14.790 -6.090 1.00 0.23 C ATOM 1239 CD GLN A 78 -3.296 15.518 -6.865 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -3.355 15.618 -8.092 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -2.298 16.020 -6.158 1.00 0.26 N ATOM 0 H GLN A 78 -5.084 15.258 -3.371 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.376 17.369 -5.130 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.362 15.068 -5.342 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -5.945 16.121 -6.679 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -3.953 14.396 -5.166 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -4.722 13.935 -6.672 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -2.288 15.915 -5.143 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -1.538 16.513 -6.627 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.260 17.569 -3.659 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.438 18.410 -3.503 1.00 0.11 C ATOM 1252 C ARG A 79 -8.153 19.621 -2.621 1.00 0.17 C ATOM 1253 O ARG A 79 -8.572 20.730 -2.938 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.602 17.600 -2.934 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.094 16.507 -3.873 1.00 0.46 C ATOM 1256 CD ARG A 79 -10.792 17.084 -5.099 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.136 17.568 -4.783 1.00 1.20 N ATOM 1258 CZ ARG A 79 -12.858 18.363 -5.574 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -12.350 18.824 -6.710 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -14.085 18.718 -5.211 1.00 1.78 N ATOM 0 H ARG A 79 -7.147 16.852 -2.943 1.00 0.04 H new ATOM 0 HA ARG A 79 -8.713 18.778 -4.492 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.294 17.147 -1.992 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.428 18.274 -2.709 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -9.250 15.894 -4.190 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.781 15.851 -3.339 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -10.197 17.903 -5.504 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -10.854 16.321 -5.875 1.00 0.78 H new ATOM 0 HE ARG A 79 -12.549 17.278 -3.897 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -11.401 18.571 -6.984 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -12.909 19.431 -7.309 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -14.473 18.383 -4.329 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -14.639 19.326 -5.814 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.427 19.407 -1.531 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.089 20.483 -0.602 1.00 0.17 C ATOM 1276 C LEU A 80 -6.329 21.604 -1.303 1.00 0.18 C ATOM 1277 O LEU A 80 -6.604 22.784 -1.087 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.250 19.930 0.557 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.612 20.980 1.475 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -6.649 21.556 2.426 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.444 20.377 2.249 1.00 0.23 C ATOM 0 H LEU A 80 -7.058 18.494 -1.266 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.020 20.897 -0.213 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.883 19.281 1.162 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.458 19.306 0.143 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.227 21.791 0.857 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -6.179 22.299 3.070 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -7.448 22.026 1.852 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -7.065 20.756 3.039 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -4.004 21.137 2.895 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.801 19.546 2.858 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.691 20.016 1.548 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.385 21.233 -2.157 1.00 0.17 N ATOM 1294 CA ARG A 81 -4.583 22.212 -2.875 1.00 0.21 C ATOM 1295 C ARG A 81 -5.354 22.838 -4.034 1.00 0.22 C ATOM 1296 O ARG A 81 -5.102 23.986 -4.406 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.299 21.567 -3.396 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.257 21.334 -2.314 1.00 0.25 C ATOM 1299 CD ARG A 81 -0.986 22.124 -2.587 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.219 23.571 -2.593 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.937 24.370 -3.625 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.428 23.868 -4.746 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -1.164 25.674 -3.529 1.00 0.54 N ATOM 0 H ARG A 81 -5.156 20.262 -2.369 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.332 23.006 -2.171 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -3.544 20.614 -3.865 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -2.871 22.202 -4.171 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.665 21.623 -1.345 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.021 20.271 -2.257 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.241 21.882 -1.829 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -0.573 21.821 -3.549 1.00 0.43 H new ATOM 0 HE ARG A 81 -1.622 23.994 -1.757 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -0.250 22.866 -4.822 1.00 0.71 H new ATOM 0 HH12 ARG A 81 -0.215 24.484 -5.530 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -1.552 26.062 -2.669 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -0.950 26.288 -4.315 1.00 0.54 H new ATOM 1317 N GLU A 82 -6.307 22.101 -4.589 1.00 0.13 N ATOM 1318 CA GLU A 82 -7.082 22.601 -5.715 1.00 0.14 C ATOM 1319 C GLU A 82 -8.227 23.496 -5.251 1.00 0.14 C ATOM 1320 O GLU A 82 -8.641 24.402 -5.969 1.00 0.14 O ATOM 1321 CB GLU A 82 -7.602 21.444 -6.574 1.00 0.14 C ATOM 1322 CG GLU A 82 -9.095 21.191 -6.455 1.00 0.06 C ATOM 1323 CD GLU A 82 -9.665 20.560 -7.701 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -9.903 21.295 -8.682 1.00 1.21 O1- ATOM 1325 OE2 GLU A 82 -9.871 19.330 -7.713 1.00 0.84 O ATOM 0 H GLU A 82 -6.560 21.162 -4.280 1.00 0.13 H new ATOM 0 HA GLU A 82 -6.419 23.210 -6.330 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -7.363 21.648 -7.618 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -7.069 20.534 -6.297 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -9.285 20.541 -5.601 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -9.607 22.133 -6.259 1.00 0.06 H new ATOM 1332 N GLN A 83 -8.734 23.253 -4.049 1.00 0.14 N ATOM 1333 CA GLN A 83 -9.826 24.061 -3.520 1.00 0.14 C ATOM 1334 C GLN A 83 -9.284 25.396 -3.024 1.00 0.13 C ATOM 1335 O GLN A 83 -10.040 26.319 -2.728 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.566 23.323 -2.401 1.00 0.14 C ATOM 1337 CG GLN A 83 -9.858 23.369 -1.058 1.00 0.11 C ATOM 1338 CD GLN A 83 -10.581 22.573 0.008 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -11.149 21.516 -0.264 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -10.571 23.079 1.227 1.00 0.65 N ATOM 0 H GLN A 83 -8.411 22.511 -3.428 1.00 0.14 H new ATOM 0 HA GLN A 83 -10.543 24.246 -4.320 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -11.561 23.755 -2.291 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -10.701 22.282 -2.694 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -8.845 22.982 -1.172 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -9.768 24.406 -0.734 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -10.088 23.959 1.410 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -11.046 22.590 1.986 1.00 0.65 H new ATOM 1349 N LEU A 84 -7.963 25.487 -2.954 1.00 0.13 N ATOM 1350 CA LEU A 84 -7.300 26.701 -2.508 1.00 0.10 C ATOM 1351 C LEU A 84 -6.999 27.604 -3.699 1.00 0.05 C ATOM 1352 O LEU A 84 -6.670 28.779 -3.534 1.00 0.17 O ATOM 1353 CB LEU A 84 -5.999 26.359 -1.769 1.00 0.13 C ATOM 1354 CG LEU A 84 -5.884 26.880 -0.328 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -5.937 28.400 -0.286 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -6.974 26.288 0.558 1.00 0.15 C ATOM 0 H LEU A 84 -7.328 24.729 -3.202 1.00 0.13 H new ATOM 0 HA LEU A 84 -7.965 27.227 -1.823 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -5.889 25.275 -1.752 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -5.163 26.755 -2.345 1.00 0.13 H new ATOM 0 HG LEU A 84 -4.916 26.561 0.058 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -5.853 28.739 0.747 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -5.113 28.809 -0.870 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -6.883 28.743 -0.705 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -6.868 26.674 1.572 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -7.952 26.564 0.165 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -6.882 25.202 0.572 1.00 0.15 H new ATOM 1368 N LYS A 85 -7.113 27.047 -4.898 1.00 0.12 N ATOM 1369 CA LYS A 85 -6.858 27.805 -6.113 1.00 0.08 C ATOM 1370 C LYS A 85 -8.107 28.593 -6.496 1.00 0.11 C ATOM 1371 O LYS A 85 -9.225 28.215 -6.131 1.00 0.11 O ATOM 1372 CB LYS A 85 -6.436 26.871 -7.262 1.00 0.02 C ATOM 1373 CG LYS A 85 -7.606 26.293 -8.050 1.00 0.15 C ATOM 1374 CD LYS A 85 -7.221 25.041 -8.831 1.00 0.18 C ATOM 1375 CE LYS A 85 -8.455 24.336 -9.374 1.00 0.27 C ATOM 1376 NZ LYS A 85 -8.151 22.963 -9.857 1.00 0.48 N1+ ATOM 0 H LYS A 85 -7.380 26.075 -5.054 1.00 0.12 H new ATOM 0 HA LYS A 85 -6.039 28.500 -5.929 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -5.787 27.421 -7.944 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -5.846 26.051 -6.852 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -8.419 26.054 -7.365 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -7.983 27.047 -8.741 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -6.560 25.311 -9.655 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -6.665 24.362 -8.185 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -9.215 24.285 -8.594 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -8.876 24.922 -10.191 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -8.386 22.890 -10.867 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -7.139 22.763 -9.722 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -8.715 22.273 -9.320 1.00 0.48 H new ATOM 1390 N LYS A 86 -7.916 29.683 -7.212 1.00 0.23 N ATOM 1391 CA LYS A 86 -9.026 30.514 -7.643 1.00 0.30 C ATOM 1392 C LYS A 86 -8.726 31.116 -9.007 1.00 0.31 C ATOM 1393 O LYS A 86 -8.946 30.436 -10.025 1.00 0.34 O ATOM 1394 CB LYS A 86 -9.276 31.630 -6.625 1.00 0.35 C ATOM 1395 CG LYS A 86 -10.601 32.349 -6.826 1.00 0.42 C ATOM 1396 CD LYS A 86 -10.490 33.834 -6.519 1.00 0.38 C ATOM 1397 CE LYS A 86 -10.583 34.673 -7.784 1.00 0.40 C ATOM 1398 NZ LYS A 86 -9.348 34.601 -8.608 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -8.230 32.259 -9.053 1.00 0.35 O1- ATOM 0 H LYS A 86 -6.999 30.016 -7.509 1.00 0.23 H new ATOM 0 HA LYS A 86 -9.920 29.895 -7.716 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -9.250 31.207 -5.621 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -8.465 32.356 -6.687 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -10.935 32.215 -7.855 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -11.359 31.901 -6.184 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -11.283 34.124 -5.829 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -9.543 34.033 -6.018 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -11.432 34.335 -8.378 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -10.775 35.711 -7.514 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -9.599 34.656 -9.616 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -8.721 35.394 -8.364 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -8.858 33.703 -8.422 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -35.799 -4.293 19.759 1.00 1.09 N ATOM 1415 CA GLY B 1 -34.323 -4.410 19.858 1.00 0.31 C ATOM 1416 C GLY B 1 -33.614 -3.424 18.956 1.00 0.29 C ATOM 1417 O GLY B 1 -33.866 -3.383 17.751 1.00 0.69 O ATOM 0 H1 GLY B 1 -36.245 -4.986 20.393 1.00 1.09 H new ATOM 0 H2 GLY B 1 -36.090 -3.334 20.035 1.00 1.09 H new ATOM 0 H3 GLY B 1 -36.097 -4.477 18.780 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -34.015 -4.244 20.890 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -34.021 -5.424 19.595 1.00 0.31 H new ATOM 1423 N SER B 2 -32.720 -2.634 19.533 1.00 0.38 N ATOM 1424 CA SER B 2 -31.980 -1.635 18.775 1.00 0.63 C ATOM 1425 C SER B 2 -30.842 -2.276 17.984 1.00 0.42 C ATOM 1426 O SER B 2 -29.705 -2.358 18.453 1.00 0.44 O ATOM 1427 CB SER B 2 -31.436 -0.564 19.715 1.00 1.08 C ATOM 1428 OG SER B 2 -32.420 -0.178 20.658 1.00 1.47 O ATOM 0 H SER B 2 -32.489 -2.666 20.526 1.00 0.38 H new ATOM 0 HA SER B 2 -32.663 -1.171 18.063 1.00 0.63 H new ATOM 0 HB2 SER B 2 -30.556 -0.942 20.235 1.00 1.08 H new ATOM 0 HB3 SER B 2 -31.117 0.305 19.139 1.00 1.08 H new ATOM 0 HG SER B 2 -32.052 0.508 21.253 1.00 1.47 H new ATOM 1434 N HIS B 3 -31.161 -2.739 16.787 1.00 0.34 N ATOM 1435 CA HIS B 3 -30.174 -3.372 15.926 1.00 0.24 C ATOM 1436 C HIS B 3 -29.746 -2.419 14.819 1.00 0.25 C ATOM 1437 O HIS B 3 -29.004 -2.791 13.908 1.00 0.45 O ATOM 1438 CB HIS B 3 -30.735 -4.658 15.327 1.00 0.41 C ATOM 1439 CG HIS B 3 -29.716 -5.750 15.200 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -29.440 -6.643 16.213 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -28.906 -6.092 14.171 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -28.507 -7.484 15.814 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -28.166 -7.176 14.577 1.00 1.42 N ATOM 0 H HIS B 3 -32.098 -2.689 16.388 1.00 0.34 H new ATOM 0 HA HIS B 3 -29.301 -3.621 16.529 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -31.559 -5.010 15.948 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -31.149 -4.441 14.342 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -28.852 -5.603 13.209 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -28.091 -8.290 16.401 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -27.468 -7.663 14.015 1.00 1.42 H new ATOM 1452 N MET B 4 -30.226 -1.189 14.901 1.00 0.16 N ATOM 1453 CA MET B 4 -29.891 -0.172 13.920 1.00 0.18 C ATOM 1454 C MET B 4 -28.718 0.665 14.415 1.00 0.37 C ATOM 1455 O MET B 4 -28.776 1.260 15.492 1.00 0.82 O ATOM 1456 CB MET B 4 -31.101 0.724 13.647 1.00 0.24 C ATOM 1457 CG MET B 4 -30.874 1.732 12.530 1.00 0.26 C ATOM 1458 SD MET B 4 -32.383 2.599 12.061 1.00 0.45 S ATOM 1459 CE MET B 4 -31.808 3.527 10.640 1.00 0.61 C ATOM 0 H MET B 4 -30.852 -0.870 15.641 1.00 0.16 H new ATOM 0 HA MET B 4 -29.606 -0.664 12.990 1.00 0.18 H new ATOM 0 HB2 MET B 4 -31.956 0.098 13.392 1.00 0.24 H new ATOM 0 HB3 MET B 4 -31.360 1.259 14.561 1.00 0.24 H new ATOM 0 HG2 MET B 4 -30.126 2.458 12.848 1.00 0.26 H new ATOM 0 HG3 MET B 4 -30.469 1.218 11.658 1.00 0.26 H new ATOM 0 HE1 MET B 4 -32.630 4.117 10.234 1.00 0.61 H new ATOM 0 HE2 MET B 4 -30.999 4.191 10.943 1.00 0.61 H new ATOM 0 HE3 MET B 4 -31.446 2.837 9.878 1.00 0.61 H new ATOM 1469 N THR B 5 -27.645 0.684 13.642 1.00 0.18 N ATOM 1470 CA THR B 5 -26.463 1.446 14.006 1.00 0.33 C ATOM 1471 C THR B 5 -26.461 2.810 13.324 1.00 0.22 C ATOM 1472 O THR B 5 -27.364 3.129 12.551 1.00 0.16 O ATOM 1473 CB THR B 5 -25.183 0.679 13.643 1.00 0.59 C ATOM 1474 OG1 THR B 5 -25.401 -0.105 12.462 1.00 0.29 O ATOM 1475 CG2 THR B 5 -24.760 -0.233 14.785 1.00 0.99 C ATOM 0 H THR B 5 -27.568 0.180 12.758 1.00 0.18 H new ATOM 0 HA THR B 5 -26.487 1.596 15.085 1.00 0.33 H new ATOM 0 HB THR B 5 -24.390 1.404 13.460 1.00 0.59 H new ATOM 0 HG1 THR B 5 -24.580 -0.590 12.235 1.00 0.29 H new ATOM 0 HG21 THR B 5 -23.851 -0.767 14.507 1.00 0.99 H new ATOM 0 HG22 THR B 5 -24.571 0.364 15.677 1.00 0.99 H new ATOM 0 HG23 THR B 5 -25.554 -0.951 14.991 1.00 0.99 H new ATOM 1483 N GLU B 6 -25.440 3.606 13.605 1.00 0.23 N ATOM 1484 CA GLU B 6 -25.320 4.946 13.038 1.00 0.17 C ATOM 1485 C GLU B 6 -24.583 4.919 11.697 1.00 0.23 C ATOM 1486 O GLU B 6 -23.845 5.851 11.370 1.00 0.52 O ATOM 1487 CB GLU B 6 -24.586 5.872 14.017 1.00 0.15 C ATOM 1488 CG GLU B 6 -25.441 6.344 15.188 1.00 0.15 C ATOM 1489 CD GLU B 6 -25.960 5.200 16.037 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -25.141 4.502 16.667 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -27.189 4.985 16.075 1.00 1.72 O1- ATOM 0 H GLU B 6 -24.675 3.346 14.228 1.00 0.23 H new ATOM 0 HA GLU B 6 -26.327 5.327 12.866 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -23.711 5.351 14.407 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -24.222 6.743 13.473 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -24.853 7.016 15.813 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -26.285 6.919 14.807 1.00 0.15 H new ATOM 1498 N GLN B 7 -24.811 3.850 10.930 1.00 0.15 N ATOM 1499 CA GLN B 7 -24.185 3.665 9.618 1.00 0.22 C ATOM 1500 C GLN B 7 -22.658 3.718 9.713 1.00 0.22 C ATOM 1501 O GLN B 7 -22.042 4.749 9.440 1.00 0.45 O ATOM 1502 CB GLN B 7 -24.688 4.722 8.623 1.00 0.57 C ATOM 1503 CG GLN B 7 -25.063 4.163 7.257 1.00 0.48 C ATOM 1504 CD GLN B 7 -23.962 3.324 6.642 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -23.909 2.109 6.839 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -23.077 3.962 5.889 1.00 0.86 N ATOM 0 H GLN B 7 -25.434 3.089 11.200 1.00 0.15 H new ATOM 0 HA GLN B 7 -24.468 2.676 9.257 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -25.557 5.222 9.050 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -23.916 5.480 8.494 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -25.964 3.557 7.353 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -25.303 4.988 6.586 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -23.157 4.969 5.751 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -22.316 3.445 5.447 1.00 0.86 H new ATOM 1515 N PRO B 8 -22.026 2.604 10.109 1.00 0.27 N ATOM 1516 CA PRO B 8 -20.573 2.531 10.233 1.00 0.51 C ATOM 1517 C PRO B 8 -19.893 2.292 8.887 1.00 0.35 C ATOM 1518 O PRO B 8 -20.554 2.240 7.846 1.00 0.14 O ATOM 1519 CB PRO B 8 -20.373 1.335 11.161 1.00 0.80 C ATOM 1520 CG PRO B 8 -21.526 0.436 10.870 1.00 0.79 C ATOM 1521 CD PRO B 8 -22.675 1.326 10.465 1.00 0.38 C ATOM 0 HA PRO B 8 -20.137 3.458 10.607 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -19.423 0.837 10.967 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -20.364 1.642 12.207 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -21.279 -0.265 10.073 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -21.786 -0.157 11.747 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -23.225 0.909 9.622 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -23.388 1.453 11.279 1.00 0.38 H new ATOM 1529 N LYS B 9 -18.568 2.163 8.914 1.00 0.47 N ATOM 1530 CA LYS B 9 -17.793 1.920 7.704 1.00 0.33 C ATOM 1531 C LYS B 9 -18.314 0.680 6.979 1.00 0.35 C ATOM 1532 O LYS B 9 -18.534 -0.366 7.591 1.00 0.52 O ATOM 1533 CB LYS B 9 -16.303 1.771 8.039 1.00 0.23 C ATOM 1534 CG LYS B 9 -15.978 0.611 8.976 1.00 0.28 C ATOM 1535 CD LYS B 9 -14.634 0.802 9.666 1.00 0.35 C ATOM 1536 CE LYS B 9 -14.743 1.739 10.859 1.00 0.69 C ATOM 1537 NZ LYS B 9 -13.458 1.880 11.589 1.00 0.89 N1+ ATOM 0 H LYS B 9 -18.009 2.223 9.765 1.00 0.47 H new ATOM 0 HA LYS B 9 -17.907 2.777 7.041 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -15.746 1.639 7.111 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -15.951 2.698 8.493 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -16.763 0.519 9.727 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -15.967 -0.321 8.411 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -14.254 -0.165 9.996 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -13.913 1.202 8.954 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -15.073 2.720 10.518 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -15.506 1.366 11.542 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -13.584 2.528 12.393 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -13.154 0.949 11.939 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -12.734 2.262 10.947 1.00 0.89 H new ATOM 1551 N THR B 10 -18.531 0.808 5.681 1.00 0.33 N ATOM 1552 CA THR B 10 -19.046 -0.294 4.894 1.00 0.31 C ATOM 1553 C THR B 10 -17.912 -1.143 4.318 1.00 0.23 C ATOM 1554 O THR B 10 -16.770 -0.685 4.192 1.00 0.23 O ATOM 1555 CB THR B 10 -19.972 0.216 3.762 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.892 -0.814 3.379 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.178 0.676 2.543 1.00 0.28 C ATOM 0 H THR B 10 -18.358 1.663 5.153 1.00 0.33 H new ATOM 0 HA THR B 10 -19.635 -0.925 5.560 1.00 0.31 H new ATOM 0 HB THR B 10 -20.520 1.075 4.148 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.475 -0.483 2.664 1.00 0.42 H new ATOM 0 HG21 THR B 10 -19.865 1.026 1.772 1.00 0.28 H new ATOM 0 HG22 THR B 10 -18.510 1.488 2.829 1.00 0.28 H new ATOM 0 HG23 THR B 10 -18.592 -0.157 2.155 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.233 -2.385 3.984 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.256 -3.302 3.426 1.00 0.21 C ATOM 1567 C ARG B 11 -17.525 -3.526 1.946 1.00 0.27 C ATOM 1568 O ARG B 11 -18.675 -3.485 1.497 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.291 -4.650 4.152 1.00 0.24 C ATOM 1570 CG ARG B 11 -16.894 -4.584 5.616 1.00 0.31 C ATOM 1571 CD ARG B 11 -16.777 -5.979 6.213 1.00 0.68 C ATOM 1572 NE ARG B 11 -16.827 -5.967 7.672 1.00 1.23 N ATOM 1573 CZ ARG B 11 -17.506 -6.855 8.402 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.191 -7.829 7.813 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -17.497 -6.767 9.724 1.00 1.72 N ATOM 0 H ARG B 11 -19.167 -2.780 4.091 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.270 -2.855 3.555 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -18.297 -5.062 4.079 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.625 -5.343 3.638 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -15.943 -4.061 5.715 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -17.634 -4.008 6.171 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.584 -6.604 5.830 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -15.841 -6.433 5.888 1.00 0.68 H new ATOM 0 HE ARG B 11 -16.312 -5.236 8.163 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.201 -7.902 6.796 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -18.707 -8.503 8.378 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -16.972 -6.022 10.182 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -18.015 -7.444 10.284 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.470 -3.769 1.196 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.589 -4.012 -0.228 1.00 0.15 C ATOM 1591 C VAL B 12 -15.763 -5.234 -0.617 1.00 0.12 C ATOM 1592 O VAL B 12 -14.620 -5.384 -0.184 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.144 -2.781 -1.059 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.688 -2.421 -0.783 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.369 -3.018 -2.548 1.00 0.25 C ATOM 0 H VAL B 12 -15.514 -3.804 1.551 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.640 -4.197 -0.449 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.760 -1.936 -0.751 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.408 -1.554 -1.381 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.565 -2.187 0.275 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.049 -3.264 -1.045 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.049 -2.140 -3.109 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -15.791 -3.884 -2.870 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.428 -3.199 -2.732 1.00 0.25 H new ATOM 1605 N SER B 13 -16.358 -6.123 -1.392 1.00 0.09 N ATOM 1606 CA SER B 13 -15.668 -7.315 -1.843 1.00 0.12 C ATOM 1607 C SER B 13 -15.218 -7.131 -3.291 1.00 0.18 C ATOM 1608 O SER B 13 -16.043 -7.026 -4.203 1.00 0.48 O ATOM 1609 CB SER B 13 -16.582 -8.535 -1.702 1.00 0.12 C ATOM 1610 OG SER B 13 -17.066 -8.649 -0.370 1.00 0.38 O ATOM 0 H SER B 13 -17.320 -6.040 -1.722 1.00 0.09 H new ATOM 0 HA SER B 13 -14.785 -7.481 -1.225 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.421 -8.449 -2.393 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.036 -9.438 -1.974 1.00 0.12 H new ATOM 0 HG SER B 13 -17.649 -9.433 -0.300 1.00 0.38 H new ATOM 1616 N VAL B 14 -13.913 -7.074 -3.497 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.364 -6.884 -4.834 1.00 0.13 C ATOM 1618 C VAL B 14 -12.525 -8.081 -5.245 1.00 0.09 C ATOM 1619 O VAL B 14 -12.179 -8.917 -4.415 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.515 -5.597 -4.954 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.407 -4.395 -5.229 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.671 -5.360 -3.706 1.00 0.17 C ATOM 0 H VAL B 14 -13.213 -7.156 -2.759 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.218 -6.782 -5.504 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.832 -5.730 -5.793 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.794 -3.498 -5.311 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.949 -4.550 -6.162 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -14.118 -4.275 -4.412 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -11.089 -4.447 -3.829 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.324 -5.261 -2.839 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.996 -6.203 -3.557 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.193 -8.156 -6.525 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.410 -9.270 -7.040 1.00 0.12 C ATOM 1634 C ARG B 15 -9.957 -8.870 -7.288 1.00 0.08 C ATOM 1635 O ARG B 15 -9.685 -7.871 -7.956 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.028 -9.795 -8.337 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.354 -11.052 -8.866 1.00 0.32 C ATOM 1638 CD ARG B 15 -11.940 -11.478 -10.199 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.356 -11.819 -10.081 1.00 0.23 N ATOM 1640 CZ ARG B 15 -14.289 -11.450 -10.958 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -13.957 -10.748 -12.037 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -15.551 -11.804 -10.768 1.00 0.33 N ATOM 0 H ARG B 15 -12.453 -7.461 -7.225 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.421 -10.056 -6.285 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.085 -10.003 -8.168 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -11.974 -9.016 -9.097 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.285 -10.873 -8.978 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.468 -11.859 -8.143 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -11.818 -10.673 -10.924 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -11.389 -12.337 -10.581 1.00 0.37 H new ATOM 0 HE ARG B 15 -13.649 -12.374 -9.277 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -12.984 -10.489 -12.197 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -14.676 -10.469 -12.705 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -15.808 -12.358 -9.951 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -16.266 -11.522 -11.438 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.039 -9.654 -6.738 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.612 -9.420 -6.900 1.00 0.08 C ATOM 1658 C ILE B 16 -6.911 -10.731 -7.256 1.00 0.13 C ATOM 1659 O ILE B 16 -7.040 -11.727 -6.539 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.973 -8.826 -5.618 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.470 -7.397 -5.372 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.454 -8.845 -5.712 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -8.620 -7.303 -4.391 1.00 0.15 C ATOM 0 H ILE B 16 -9.263 -10.469 -6.168 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.486 -8.695 -7.704 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.276 -9.447 -4.775 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -6.641 -6.794 -5.002 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -7.781 -6.963 -6.322 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.028 -8.424 -4.802 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.110 -9.872 -5.832 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.135 -8.253 -6.570 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.912 -6.260 -4.272 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -9.467 -7.877 -4.767 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -8.309 -7.705 -3.427 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.206 -10.731 -8.388 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.468 -11.900 -8.866 1.00 0.25 C ATOM 1677 C TYR B 17 -6.400 -13.087 -9.126 1.00 0.24 C ATOM 1678 O TYR B 17 -5.971 -14.243 -9.113 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.360 -12.291 -7.878 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.124 -12.878 -8.538 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.318 -12.102 -9.364 1.00 0.27 C ATOM 1682 CD2 TYR B 17 -2.761 -14.203 -8.329 1.00 0.22 C ATOM 1683 CE1 TYR B 17 -1.190 -12.633 -9.964 1.00 0.31 C ATOM 1684 CE2 TYR B 17 -1.634 -14.738 -8.924 1.00 0.20 C ATOM 1685 CZ TYR B 17 -0.852 -13.949 -9.738 1.00 0.26 C ATOM 1686 OH TYR B 17 0.272 -14.479 -10.329 1.00 0.34 O ATOM 0 H TYR B 17 -6.131 -9.919 -9.000 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.005 -11.627 -9.814 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.070 -11.410 -7.305 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.759 -13.015 -7.168 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.577 -11.068 -9.540 1.00 0.27 H new ATOM 0 HD2 TYR B 17 -3.370 -14.826 -7.690 1.00 0.22 H new ATOM 0 HE1 TYR B 17 -0.577 -12.018 -10.607 1.00 0.31 H new ATOM 0 HE2 TYR B 17 -1.368 -15.770 -8.751 1.00 0.20 H new ATOM 0 HH TYR B 17 0.927 -13.767 -10.483 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.674 -12.800 -9.365 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.628 -13.856 -9.649 1.00 0.22 C ATOM 1698 C GLY B 18 -9.453 -14.272 -8.447 1.00 0.22 C ATOM 1699 O GLY B 18 -10.410 -15.033 -8.586 1.00 0.24 O ATOM 0 H GLY B 18 -8.063 -11.857 -9.367 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.299 -13.524 -10.441 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.092 -14.726 -10.029 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.099 -13.789 -7.264 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.843 -14.146 -6.062 1.00 0.21 C ATOM 1705 C GLN B 19 -10.512 -12.927 -5.449 1.00 0.18 C ATOM 1706 O GLN B 19 -9.998 -11.819 -5.545 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.931 -14.818 -5.035 1.00 0.22 C ATOM 1708 CG GLN B 19 -9.094 -16.328 -4.993 1.00 0.56 C ATOM 1709 CD GLN B 19 -10.521 -16.760 -4.698 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -11.212 -16.006 -3.857 1.00 0.81 O flip ATOM 1711 NE2 GLN B 19 -10.996 -17.773 -5.211 1.00 1.36 N flip ATOM 0 H GLN B 19 -8.313 -13.158 -7.110 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.619 -14.853 -6.354 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.893 -14.577 -5.266 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.141 -14.408 -4.047 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.782 -16.749 -5.949 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -8.430 -16.739 -4.232 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -10.434 -18.330 -5.855 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -11.951 -18.055 -4.992 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.657 -13.142 -4.822 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.402 -12.057 -4.199 1.00 0.24 C ATOM 1722 C ASP B 20 -11.969 -11.865 -2.747 1.00 0.23 C ATOM 1723 O ASP B 20 -11.657 -12.830 -2.048 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.911 -12.327 -4.279 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.433 -13.146 -3.112 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.275 -14.386 -3.130 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.006 -12.552 -2.175 1.00 1.64 O ATOM 0 H ASP B 20 -12.093 -14.060 -4.730 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.185 -11.138 -4.743 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.443 -11.376 -4.314 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.131 -12.850 -5.210 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.923 -10.611 -2.318 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.541 -10.269 -0.953 1.00 0.22 C ATOM 1734 C TYR B 21 -12.451 -9.185 -0.406 1.00 0.24 C ATOM 1735 O TYR B 21 -12.784 -8.229 -1.108 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.088 -9.790 -0.895 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.099 -10.830 -1.359 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.781 -11.919 -0.560 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.500 -10.731 -2.607 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -7.888 -12.878 -0.988 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -7.605 -11.688 -3.045 1.00 0.15 C ATOM 1742 CZ TYR B 21 -7.306 -12.760 -2.232 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.417 -13.716 -2.664 1.00 0.14 O ATOM 0 H TYR B 21 -12.148 -9.806 -2.902 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.640 -11.167 -0.344 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -9.982 -8.897 -1.511 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.848 -9.501 0.128 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.240 -12.017 0.413 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -8.737 -9.893 -3.246 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -7.646 -13.717 -0.352 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -7.143 -11.597 -4.017 1.00 0.15 H new ATOM 0 HH TYR B 21 -6.099 -13.485 -3.562 1.00 0.14 H new ATOM 1753 N THR B 22 -12.858 -9.337 0.841 1.00 0.18 N ATOM 1754 CA THR B 22 -13.721 -8.362 1.478 1.00 0.18 C ATOM 1755 C THR B 22 -12.895 -7.411 2.333 1.00 0.16 C ATOM 1756 O THR B 22 -12.251 -7.826 3.297 1.00 0.21 O ATOM 1757 CB THR B 22 -14.793 -9.048 2.340 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.531 -9.982 1.537 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.744 -8.026 2.944 1.00 0.26 C ATOM 0 H THR B 22 -12.604 -10.128 1.433 1.00 0.18 H new ATOM 0 HA THR B 22 -14.226 -7.796 0.695 1.00 0.18 H new ATOM 0 HB THR B 22 -14.295 -9.575 3.154 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.064 -9.494 0.875 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.492 -8.538 3.549 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.183 -7.333 3.571 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.239 -7.473 2.146 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.913 -6.142 1.968 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.151 -5.126 2.678 1.00 0.11 C ATOM 1769 C ILE B 23 -13.048 -3.957 3.067 1.00 0.14 C ATOM 1770 O ILE B 23 -14.229 -3.931 2.726 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.975 -4.606 1.821 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.469 -4.215 0.418 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.873 -5.658 1.746 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.397 -3.636 -0.478 1.00 0.08 C ATOM 0 H ILE B 23 -13.451 -5.787 1.178 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.749 -5.590 3.579 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.559 -3.715 2.291 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -11.893 -5.096 -0.064 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -12.275 -3.488 0.518 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.050 -5.280 1.140 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.512 -5.879 2.750 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.269 -6.568 1.294 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -10.828 -3.387 -1.448 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -9.988 -2.735 -0.021 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -9.601 -4.368 -0.612 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.486 -2.999 3.785 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.238 -1.831 4.216 1.00 0.17 C ATOM 1788 C VAL B 24 -13.129 -0.720 3.177 1.00 0.22 C ATOM 1789 O VAL B 24 -12.030 -0.361 2.760 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.731 -1.309 5.577 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.551 -0.113 6.040 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.764 -2.416 6.623 1.00 0.18 C ATOM 0 H VAL B 24 -11.510 -3.007 4.082 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.280 -2.131 4.325 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.698 -0.985 5.450 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.174 0.236 7.001 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.471 0.689 5.306 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.595 -0.407 6.145 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.403 -2.028 7.575 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -13.787 -2.774 6.742 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.126 -3.239 6.302 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.264 -0.180 2.759 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.253 0.875 1.770 1.00 0.27 C ATOM 1804 C GLY B 25 -15.247 1.971 2.095 1.00 0.07 C ATOM 1805 O GLY B 25 -16.299 2.068 1.470 1.00 0.28 O ATOM 0 H GLY B 25 -15.190 -0.454 3.087 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.252 1.301 1.706 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.484 0.456 0.791 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.910 2.804 3.071 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.791 3.888 3.484 1.00 0.36 C ATOM 1811 C ALA B 26 -15.264 5.245 3.029 1.00 0.34 C ATOM 1812 O ALA B 26 -15.704 6.284 3.520 1.00 0.57 O ATOM 1813 CB ALA B 26 -15.961 3.869 4.996 1.00 0.61 C ATOM 0 H ALA B 26 -14.034 2.750 3.591 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.760 3.734 3.008 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -16.621 4.682 5.298 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -16.395 2.917 5.301 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -14.989 3.994 5.473 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.326 5.238 2.092 1.00 0.08 N ATOM 1820 CA GLU B 27 -13.752 6.483 1.597 1.00 0.06 C ATOM 1821 C GLU B 27 -14.487 6.977 0.347 1.00 0.07 C ATOM 1822 O GLU B 27 -14.932 8.124 0.297 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.250 6.326 1.319 1.00 0.06 C ATOM 1824 CG GLU B 27 -11.901 5.277 0.272 1.00 0.97 C ATOM 1825 CD GLU B 27 -10.452 5.346 -0.152 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -10.113 6.245 -0.950 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -9.658 4.510 0.314 1.00 2.44 O1- ATOM 0 H GLU B 27 -13.949 4.393 1.662 1.00 0.08 H new ATOM 0 HA GLU B 27 -13.876 7.235 2.377 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -11.852 7.288 0.996 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -11.747 6.070 2.251 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.113 4.285 0.671 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -12.539 5.413 -0.601 1.00 0.97 H new ATOM 1834 N SER B 28 -14.628 6.101 -0.644 1.00 0.08 N ATOM 1835 CA SER B 28 -15.295 6.442 -1.891 1.00 0.11 C ATOM 1836 C SER B 28 -15.459 5.196 -2.757 1.00 0.14 C ATOM 1837 O SER B 28 -14.514 4.417 -2.918 1.00 0.14 O ATOM 1838 CB SER B 28 -14.494 7.515 -2.647 1.00 0.16 C ATOM 1839 OG SER B 28 -14.566 7.340 -4.054 1.00 0.98 O ATOM 0 H SER B 28 -14.285 5.141 -0.603 1.00 0.08 H new ATOM 0 HA SER B 28 -16.283 6.842 -1.662 1.00 0.11 H new ATOM 0 HB2 SER B 28 -14.874 8.503 -2.385 1.00 0.16 H new ATOM 0 HB3 SER B 28 -13.452 7.480 -2.330 1.00 0.16 H new ATOM 0 HG SER B 28 -14.046 8.042 -4.498 1.00 0.98 H new ATOM 1845 N PRO B 29 -16.662 4.989 -3.318 1.00 0.17 N ATOM 1846 CA PRO B 29 -16.953 3.836 -4.177 1.00 0.21 C ATOM 1847 C PRO B 29 -16.108 3.832 -5.449 1.00 0.18 C ATOM 1848 O PRO B 29 -15.909 2.787 -6.072 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.438 3.999 -4.520 1.00 0.30 C ATOM 1850 CG PRO B 29 -18.736 5.435 -4.276 1.00 0.28 C ATOM 1851 CD PRO B 29 -17.842 5.854 -3.147 1.00 0.18 C ATOM 0 HA PRO B 29 -16.723 2.894 -3.678 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -18.636 3.726 -5.557 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.060 3.356 -3.897 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -18.544 6.031 -5.168 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -19.785 5.578 -4.017 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -17.580 6.910 -3.210 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.317 5.701 -2.178 1.00 0.18 H new ATOM 1859 N ALA B 30 -15.609 5.004 -5.825 1.00 0.18 N ATOM 1860 CA ALA B 30 -14.781 5.137 -7.011 1.00 0.16 C ATOM 1861 C ALA B 30 -13.323 4.848 -6.675 1.00 0.10 C ATOM 1862 O ALA B 30 -12.609 4.208 -7.446 1.00 0.05 O ATOM 1863 CB ALA B 30 -14.929 6.531 -7.603 1.00 0.20 C ATOM 0 H ALA B 30 -15.766 5.877 -5.321 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.112 4.410 -7.753 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -14.303 6.617 -8.491 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -15.971 6.702 -7.875 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -14.619 7.273 -6.867 1.00 0.20 H new ATOM 1869 N HIS B 31 -12.887 5.308 -5.507 1.00 0.15 N ATOM 1870 CA HIS B 31 -11.509 5.098 -5.066 1.00 0.13 C ATOM 1871 C HIS B 31 -11.230 3.619 -4.841 1.00 0.07 C ATOM 1872 O HIS B 31 -10.221 3.090 -5.307 1.00 0.05 O ATOM 1873 CB HIS B 31 -11.226 5.868 -3.776 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.163 7.358 -3.944 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -11.200 7.992 -5.172 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -11.077 8.342 -3.022 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -11.136 9.297 -4.991 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -11.065 9.535 -3.699 1.00 1.22 N ATOM 0 H HIS B 31 -13.466 5.828 -4.848 1.00 0.15 H new ATOM 0 HA HIS B 31 -10.853 5.469 -5.854 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.001 5.629 -3.047 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -10.280 5.521 -3.360 1.00 0.20 H new ATOM 0 HD2 HIS B 31 -11.027 8.213 -1.951 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -11.141 10.044 -5.771 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -11.010 10.459 -3.270 1.00 1.22 H new ATOM 1887 N ILE B 32 -12.146 2.955 -4.147 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.007 1.531 -3.845 1.00 0.08 C ATOM 1889 C ILE B 32 -11.985 0.681 -5.114 1.00 0.07 C ATOM 1890 O ILE B 32 -11.568 -0.476 -5.089 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.127 1.028 -2.908 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.503 1.146 -3.585 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.092 1.799 -1.595 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.655 0.621 -2.750 1.00 0.10 C ATOM 0 H ILE B 32 -12.998 3.380 -3.780 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.050 1.422 -3.334 1.00 0.08 H new ATOM 0 HB ILE B 32 -12.957 -0.027 -2.693 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -14.689 2.193 -3.823 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.478 0.604 -4.530 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.885 1.438 -0.940 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.126 1.651 -1.112 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.240 2.861 -1.792 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.588 0.742 -3.300 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.496 -0.435 -2.533 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.711 1.179 -1.815 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.424 1.261 -6.225 1.00 0.07 N ATOM 1907 CA ARG B 33 -12.435 0.553 -7.496 1.00 0.05 C ATOM 1908 C ARG B 33 -11.026 0.519 -8.076 1.00 0.04 C ATOM 1909 O ARG B 33 -10.661 -0.393 -8.817 1.00 0.05 O ATOM 1910 CB ARG B 33 -13.387 1.231 -8.487 1.00 0.07 C ATOM 1911 CG ARG B 33 -13.932 0.288 -9.547 1.00 0.59 C ATOM 1912 CD ARG B 33 -15.056 -0.569 -8.990 1.00 0.36 C ATOM 1913 NE ARG B 33 -15.644 -1.441 -10.007 1.00 0.42 N ATOM 1914 CZ ARG B 33 -16.948 -1.713 -10.098 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -17.809 -1.171 -9.240 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -17.390 -2.525 -11.048 1.00 1.46 N ATOM 0 H ARG B 33 -12.776 2.217 -6.270 1.00 0.07 H new ATOM 0 HA ARG B 33 -12.784 -0.465 -7.323 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.221 1.667 -7.937 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -12.864 2.052 -8.977 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -14.297 0.864 -10.398 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -13.131 -0.352 -9.915 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -14.674 -1.177 -8.170 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -15.831 0.076 -8.575 1.00 0.36 H new ATOM 0 HE ARG B 33 -15.018 -1.868 -10.690 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -17.474 -0.544 -8.508 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -18.804 -1.382 -9.314 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -16.734 -2.942 -11.709 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -18.386 -2.733 -11.118 1.00 1.46 H new ATOM 1930 N LEU B 34 -10.237 1.526 -7.720 1.00 0.06 N ATOM 1931 CA LEU B 34 -8.862 1.630 -8.186 1.00 0.09 C ATOM 1932 C LEU B 34 -7.961 0.762 -7.320 1.00 0.08 C ATOM 1933 O LEU B 34 -6.957 0.226 -7.787 1.00 0.12 O ATOM 1934 CB LEU B 34 -8.386 3.085 -8.125 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.316 4.109 -8.778 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -8.815 5.523 -8.523 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.437 3.844 -10.271 1.00 0.14 C ATOM 0 H LEU B 34 -10.530 2.286 -7.106 1.00 0.06 H new ATOM 0 HA LEU B 34 -8.815 1.288 -9.220 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.248 3.360 -7.079 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -7.409 3.150 -8.604 1.00 0.12 H new ATOM 0 HG LEU B 34 -10.305 4.010 -8.332 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -9.489 6.238 -8.995 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -8.782 5.709 -7.450 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.815 5.636 -8.942 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -10.102 4.582 -10.719 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -8.453 3.915 -10.734 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -9.843 2.845 -10.432 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.351 0.634 -6.058 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.621 -0.155 -5.072 1.00 0.08 C ATOM 1951 C VAL B 35 -7.300 -1.559 -5.589 1.00 0.08 C ATOM 1952 O VAL B 35 -6.142 -1.980 -5.596 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.439 -0.268 -3.764 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.792 -1.232 -2.788 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.613 1.100 -3.122 1.00 0.09 C ATOM 0 H VAL B 35 -9.190 1.079 -5.686 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.681 0.361 -4.879 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.422 -0.662 -4.021 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -8.392 -1.288 -1.880 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.728 -2.221 -3.242 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.790 -0.881 -2.540 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.191 1.000 -2.203 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -7.634 1.521 -2.891 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.139 1.761 -3.811 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.329 -2.261 -6.045 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.173 -3.621 -6.548 1.00 0.07 C ATOM 1967 C ALA B 36 -7.312 -3.668 -7.806 1.00 0.09 C ATOM 1968 O ALA B 36 -6.406 -4.491 -7.912 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.534 -4.234 -6.828 1.00 0.08 C ATOM 0 H ALA B 36 -9.286 -1.909 -6.077 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.664 -4.199 -5.777 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.406 -5.249 -7.203 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.118 -4.258 -5.908 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.056 -3.635 -7.574 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.589 -2.779 -8.750 1.00 0.12 N ATOM 1976 CA ALA B 37 -6.846 -2.739 -10.007 1.00 0.15 C ATOM 1977 C ALA B 37 -5.364 -2.444 -9.777 1.00 0.17 C ATOM 1978 O ALA B 37 -4.497 -3.014 -10.442 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.456 -1.704 -10.938 1.00 0.21 C ATOM 0 H ALA B 37 -8.323 -2.075 -8.671 1.00 0.12 H new ATOM 0 HA ALA B 37 -6.915 -3.723 -10.470 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -6.896 -1.681 -11.873 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.494 -1.966 -11.143 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.416 -0.722 -10.467 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.087 -1.568 -8.823 1.00 0.16 N ATOM 1986 CA PHE B 38 -3.719 -1.178 -8.501 1.00 0.18 C ATOM 1987 C PHE B 38 -2.913 -2.359 -7.957 1.00 0.15 C ATOM 1988 O PHE B 38 -1.812 -2.647 -8.433 1.00 0.16 O ATOM 1989 CB PHE B 38 -3.733 -0.039 -7.479 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.423 0.689 -7.358 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.110 1.721 -8.228 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -1.507 0.343 -6.377 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -0.909 2.396 -8.120 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -0.305 1.014 -6.266 1.00 0.36 C ATOM 1995 CZ PHE B 38 -0.004 2.040 -7.140 1.00 0.14 C ATOM 0 H PHE B 38 -5.797 -1.109 -8.253 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.238 -0.840 -9.419 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.509 0.674 -7.756 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.004 -0.443 -6.504 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.812 2.001 -8.999 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -1.736 -0.460 -5.692 1.00 0.37 H new ATOM 0 HE1 PHE B 38 -0.679 3.201 -8.802 1.00 0.27 H new ATOM 0 HE2 PHE B 38 0.399 0.736 -5.496 1.00 0.36 H new ATOM 0 HZ PHE B 38 0.937 2.563 -7.057 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.467 -3.044 -6.967 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.786 -4.178 -6.353 1.00 0.14 C ATOM 2007 C VAL B 39 -2.751 -5.397 -7.286 1.00 0.14 C ATOM 2008 O VAL B 39 -1.779 -6.156 -7.292 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.429 -4.555 -4.996 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -4.841 -5.078 -5.174 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -2.570 -5.568 -4.258 1.00 0.22 C ATOM 0 H VAL B 39 -4.384 -2.836 -6.572 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.757 -3.867 -6.171 1.00 0.14 H new ATOM 0 HB VAL B 39 -3.487 -3.647 -4.395 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -5.260 -5.332 -4.201 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -5.456 -4.311 -5.645 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -4.823 -5.967 -5.805 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -3.040 -5.819 -3.307 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.470 -6.469 -4.863 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -1.583 -5.143 -4.074 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.795 -5.561 -8.093 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.878 -6.687 -9.023 1.00 0.21 C ATOM 2023 C ASP B 40 -2.749 -6.631 -10.045 1.00 0.27 C ATOM 2024 O ASP B 40 -2.098 -7.641 -10.329 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.231 -6.688 -9.741 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.370 -7.820 -10.741 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.969 -7.638 -11.910 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -5.890 -8.889 -10.364 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.596 -4.930 -8.123 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.780 -7.608 -8.448 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.028 -6.764 -9.002 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.363 -5.737 -10.256 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.510 -5.444 -10.586 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.458 -5.253 -11.578 1.00 0.37 C ATOM 2035 C ASP B 41 -0.084 -5.454 -10.950 1.00 0.32 C ATOM 2036 O ASP B 41 0.834 -5.973 -11.584 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.549 -3.855 -12.194 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.964 -3.805 -13.589 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -1.083 -4.809 -14.324 1.00 0.92 O ATOM 2040 OD2 ASP B 41 -0.400 -2.757 -13.967 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.030 -4.598 -10.355 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.596 -5.995 -12.365 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.593 -3.542 -12.228 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -1.024 -3.144 -11.556 1.00 0.46 H new ATOM 2045 N LYS B 42 0.037 -5.059 -9.687 1.00 0.28 N ATOM 2046 CA LYS B 42 1.293 -5.181 -8.955 1.00 0.24 C ATOM 2047 C LYS B 42 1.701 -6.649 -8.812 1.00 0.20 C ATOM 2048 O LYS B 42 2.856 -7.003 -9.035 1.00 0.18 O ATOM 2049 CB LYS B 42 1.170 -4.522 -7.574 1.00 0.24 C ATOM 2050 CG LYS B 42 2.483 -3.978 -7.030 1.00 0.21 C ATOM 2051 CD LYS B 42 2.543 -2.457 -7.119 1.00 0.40 C ATOM 2052 CE LYS B 42 2.786 -1.984 -8.547 1.00 0.55 C ATOM 2053 NZ LYS B 42 2.994 -0.509 -8.628 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.724 -4.649 -9.146 1.00 0.28 H new ATOM 0 HA LYS B 42 2.070 -4.667 -9.521 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.448 -3.708 -7.634 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.770 -5.251 -6.869 1.00 0.24 H new ATOM 0 HG2 LYS B 42 2.603 -4.287 -5.992 1.00 0.21 H new ATOM 0 HG3 LYS B 42 3.314 -4.408 -7.588 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.609 -2.034 -6.750 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.338 -2.086 -6.473 1.00 0.40 H new ATOM 0 HE2 LYS B 42 3.659 -2.495 -8.953 1.00 0.55 H new ATOM 0 HE3 LYS B 42 1.936 -2.263 -9.169 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 3.814 -0.307 -9.234 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 2.147 -0.061 -9.031 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 3.166 -0.130 -7.675 1.00 0.48 H new ATOM 2067 N MET B 43 0.749 -7.507 -8.462 1.00 0.21 N ATOM 2068 CA MET B 43 1.035 -8.934 -8.301 1.00 0.19 C ATOM 2069 C MET B 43 1.424 -9.573 -9.628 1.00 0.17 C ATOM 2070 O MET B 43 2.238 -10.497 -9.670 1.00 0.18 O ATOM 2071 CB MET B 43 -0.175 -9.679 -7.732 1.00 0.24 C ATOM 2072 CG MET B 43 -0.272 -9.647 -6.216 1.00 0.25 C ATOM 2073 SD MET B 43 -1.306 -10.972 -5.567 1.00 0.31 S ATOM 2074 CE MET B 43 -0.252 -12.398 -5.831 1.00 0.24 C ATOM 0 H MET B 43 -0.221 -7.246 -8.285 1.00 0.21 H new ATOM 0 HA MET B 43 1.870 -9.012 -7.605 1.00 0.19 H new ATOM 0 HB2 MET B 43 -1.083 -9.247 -8.152 1.00 0.24 H new ATOM 0 HB3 MET B 43 -0.135 -10.718 -8.060 1.00 0.24 H new ATOM 0 HG2 MET B 43 0.728 -9.727 -5.789 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.677 -8.686 -5.901 1.00 0.25 H new ATOM 0 HE1 MET B 43 -0.676 -13.263 -5.322 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.180 -12.605 -6.899 1.00 0.24 H new ATOM 0 HE3 MET B 43 0.742 -12.194 -5.433 1.00 0.24 H new ATOM 2084 N HIS B 44 0.854 -9.064 -10.710 1.00 0.16 N ATOM 2085 CA HIS B 44 1.112 -9.603 -12.038 1.00 0.19 C ATOM 2086 C HIS B 44 2.516 -9.266 -12.537 1.00 0.25 C ATOM 2087 O HIS B 44 3.121 -10.052 -13.261 1.00 0.61 O ATOM 2088 CB HIS B 44 0.064 -9.097 -13.029 1.00 0.26 C ATOM 2089 CG HIS B 44 -1.210 -9.891 -13.008 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -2.359 -9.470 -12.370 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -1.508 -11.097 -13.547 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -3.303 -10.382 -12.518 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -2.811 -11.380 -13.226 1.00 1.53 N ATOM 0 H HIS B 44 0.207 -8.275 -10.695 1.00 0.16 H new ATOM 0 HA HIS B 44 1.046 -10.688 -11.964 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.163 -8.055 -12.806 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.483 -9.124 -14.035 1.00 0.26 H new ATOM 0 HD1 HIS B 44 -2.463 -8.591 -11.863 1.00 0.54 H new ATOM 0 HD2 HIS B 44 -0.842 -11.721 -14.124 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -4.307 -10.321 -12.126 1.00 1.18 H new ATOM 2102 N GLU B 45 3.047 -8.115 -12.146 1.00 0.14 N ATOM 2103 CA GLU B 45 4.379 -7.726 -12.596 1.00 0.11 C ATOM 2104 C GLU B 45 5.469 -8.489 -11.843 1.00 0.07 C ATOM 2105 O GLU B 45 6.563 -8.695 -12.362 1.00 0.03 O ATOM 2106 CB GLU B 45 4.590 -6.210 -12.476 1.00 0.10 C ATOM 2107 CG GLU B 45 4.725 -5.701 -11.046 1.00 0.07 C ATOM 2108 CD GLU B 45 5.065 -4.225 -10.989 1.00 0.22 C ATOM 2109 OE1 GLU B 45 4.907 -3.532 -12.016 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 5.493 -3.747 -9.921 1.00 0.49 O ATOM 0 H GLU B 45 2.587 -7.445 -11.530 1.00 0.14 H new ATOM 0 HA GLU B 45 4.454 -7.992 -13.650 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.487 -5.936 -13.032 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.752 -5.701 -12.952 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.792 -5.877 -10.511 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.500 -6.270 -10.532 1.00 0.07 H new ATOM 2117 N PHE B 46 5.165 -8.934 -10.630 1.00 0.11 N ATOM 2118 CA PHE B 46 6.139 -9.675 -9.837 1.00 0.10 C ATOM 2119 C PHE B 46 6.103 -11.162 -10.163 1.00 0.10 C ATOM 2120 O PHE B 46 7.028 -11.903 -9.815 1.00 0.11 O ATOM 2121 CB PHE B 46 5.892 -9.474 -8.344 1.00 0.11 C ATOM 2122 CG PHE B 46 6.161 -8.078 -7.857 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.360 -7.438 -8.138 1.00 0.16 C ATOM 2124 CD2 PHE B 46 5.210 -7.409 -7.109 1.00 0.14 C ATOM 2125 CE1 PHE B 46 7.600 -6.156 -7.678 1.00 0.17 C ATOM 2126 CE2 PHE B 46 5.443 -6.127 -6.649 1.00 0.14 C ATOM 2127 CZ PHE B 46 6.639 -5.500 -6.933 1.00 0.15 C ATOM 0 H PHE B 46 4.261 -8.797 -10.177 1.00 0.11 H new ATOM 0 HA PHE B 46 7.125 -9.286 -10.091 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.857 -9.731 -8.121 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.520 -10.169 -7.787 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.113 -7.946 -8.722 1.00 0.16 H new ATOM 0 HD2 PHE B 46 4.273 -7.895 -6.881 1.00 0.14 H new ATOM 0 HE1 PHE B 46 8.537 -5.668 -7.901 1.00 0.17 H new ATOM 0 HE2 PHE B 46 4.690 -5.616 -6.068 1.00 0.14 H new ATOM 0 HZ PHE B 46 6.823 -4.498 -6.574 1.00 0.15 H new ATOM 2137 N SER B 47 5.050 -11.592 -10.847 1.00 0.09 N ATOM 2138 CA SER B 47 4.890 -12.997 -11.211 1.00 0.10 C ATOM 2139 C SER B 47 6.010 -13.462 -12.145 1.00 0.09 C ATOM 2140 O SER B 47 6.315 -14.653 -12.217 1.00 0.13 O ATOM 2141 CB SER B 47 3.522 -13.223 -11.863 1.00 0.13 C ATOM 2142 OG SER B 47 2.469 -12.878 -10.970 1.00 0.49 O ATOM 0 H SER B 47 4.291 -10.987 -11.162 1.00 0.09 H new ATOM 0 HA SER B 47 4.950 -13.590 -10.298 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.444 -12.625 -12.771 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.425 -14.267 -12.160 1.00 0.13 H new ATOM 0 HG SER B 47 2.577 -11.948 -10.681 1.00 0.49 H new ATOM 2148 N GLU B 48 6.631 -12.518 -12.842 1.00 0.13 N ATOM 2149 CA GLU B 48 7.715 -12.841 -13.761 1.00 0.12 C ATOM 2150 C GLU B 48 9.074 -12.636 -13.093 1.00 0.09 C ATOM 2151 O GLU B 48 10.111 -12.781 -13.733 1.00 0.07 O ATOM 2152 CB GLU B 48 7.622 -11.991 -15.034 1.00 0.15 C ATOM 2153 CG GLU B 48 7.685 -10.493 -14.781 1.00 0.17 C ATOM 2154 CD GLU B 48 8.071 -9.713 -16.019 1.00 0.71 C ATOM 2155 OE1 GLU B 48 9.284 -9.554 -16.272 1.00 1.67 O ATOM 2156 OE2 GLU B 48 7.164 -9.252 -16.745 1.00 0.76 O1- ATOM 0 H GLU B 48 6.403 -11.525 -12.789 1.00 0.13 H new ATOM 0 HA GLU B 48 7.617 -13.891 -14.035 1.00 0.12 H new ATOM 0 HB2 GLU B 48 8.434 -12.270 -15.706 1.00 0.15 H new ATOM 0 HB3 GLU B 48 6.689 -12.224 -15.547 1.00 0.15 H new ATOM 0 HG2 GLU B 48 6.715 -10.147 -14.425 1.00 0.17 H new ATOM 0 HG3 GLU B 48 8.406 -10.291 -13.989 1.00 0.17 H new ATOM 2163 N LYS B 49 9.063 -12.293 -11.808 1.00 0.10 N ATOM 2164 CA LYS B 49 10.304 -12.072 -11.073 1.00 0.10 C ATOM 2165 C LYS B 49 10.563 -13.207 -10.093 1.00 0.15 C ATOM 2166 O LYS B 49 11.634 -13.812 -10.115 1.00 0.23 O ATOM 2167 CB LYS B 49 10.271 -10.734 -10.319 1.00 0.09 C ATOM 2168 CG LYS B 49 10.359 -9.506 -11.221 1.00 0.12 C ATOM 2169 CD LYS B 49 11.757 -9.296 -11.797 1.00 0.05 C ATOM 2170 CE LYS B 49 12.696 -8.638 -10.796 1.00 1.11 C ATOM 2171 NZ LYS B 49 14.116 -8.727 -11.231 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.214 -12.163 -11.257 1.00 0.10 H new ATOM 0 HA LYS B 49 11.114 -12.042 -11.802 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.350 -10.679 -9.738 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.097 -10.709 -9.609 1.00 0.09 H new ATOM 0 HG2 LYS B 49 9.646 -9.609 -12.039 1.00 0.12 H new ATOM 0 HG3 LYS B 49 10.068 -8.622 -10.654 1.00 0.12 H new ATOM 0 HD2 LYS B 49 12.170 -10.257 -12.104 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.691 -8.677 -12.692 1.00 0.05 H new ATOM 0 HE2 LYS B 49 12.419 -7.591 -10.671 1.00 1.11 H new ATOM 0 HE3 LYS B 49 12.583 -9.116 -9.823 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 14.725 -8.268 -10.524 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 14.388 -9.726 -11.326 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 14.229 -8.249 -12.148 1.00 1.14 H new ATOM 2185 N GLN B 50 9.566 -13.489 -9.247 1.00 0.20 N ATOM 2186 CA GLN B 50 9.660 -14.551 -8.240 1.00 0.30 C ATOM 2187 C GLN B 50 10.824 -14.299 -7.274 1.00 0.13 C ATOM 2188 O GLN B 50 11.905 -14.860 -7.440 1.00 0.29 O ATOM 2189 CB GLN B 50 9.813 -15.923 -8.911 1.00 0.53 C ATOM 2190 CG GLN B 50 8.636 -16.307 -9.791 1.00 1.05 C ATOM 2191 CD GLN B 50 8.917 -17.534 -10.637 1.00 1.30 C ATOM 2192 OE1 GLN B 50 9.460 -17.429 -11.736 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.546 -18.702 -10.139 1.00 1.60 N ATOM 0 H GLN B 50 8.676 -12.990 -9.241 1.00 0.20 H new ATOM 0 HA GLN B 50 8.734 -14.545 -7.665 1.00 0.30 H new ATOM 0 HB2 GLN B 50 10.721 -15.924 -9.514 1.00 0.53 H new ATOM 0 HB3 GLN B 50 9.942 -16.682 -8.140 1.00 0.53 H new ATOM 0 HG2 GLN B 50 7.764 -16.494 -9.164 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.386 -15.470 -10.443 1.00 1.05 H new ATOM 0 HE21 GLN B 50 8.098 -18.747 -9.224 1.00 1.60 H new ATOM 0 HE22 GLN B 50 8.708 -19.557 -10.670 1.00 1.60 H new ATOM 2202 N PRO B 51 10.610 -13.459 -6.238 1.00 0.16 N ATOM 2203 CA PRO B 51 11.652 -13.125 -5.253 1.00 0.27 C ATOM 2204 C PRO B 51 12.212 -14.360 -4.555 1.00 0.20 C ATOM 2205 O PRO B 51 13.426 -14.540 -4.463 1.00 0.19 O ATOM 2206 CB PRO B 51 10.934 -12.213 -4.246 1.00 0.48 C ATOM 2207 CG PRO B 51 9.477 -12.426 -4.485 1.00 0.51 C ATOM 2208 CD PRO B 51 9.343 -12.774 -5.940 1.00 0.41 C ATOM 0 HA PRO B 51 12.513 -12.653 -5.726 1.00 0.27 H new ATOM 0 HB2 PRO B 51 11.205 -12.469 -3.222 1.00 0.48 H new ATOM 0 HB3 PRO B 51 11.208 -11.169 -4.397 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.091 -13.227 -3.855 1.00 0.51 H new ATOM 0 HG3 PRO B 51 8.907 -11.529 -4.244 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.484 -13.419 -6.123 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.211 -11.885 -6.557 1.00 0.41 H new ATOM 2216 N MET B 52 11.320 -15.207 -4.060 1.00 0.17 N ATOM 2217 CA MET B 52 11.722 -16.430 -3.379 1.00 0.11 C ATOM 2218 C MET B 52 10.980 -17.618 -3.978 1.00 0.09 C ATOM 2219 O MET B 52 10.877 -18.674 -3.358 1.00 0.08 O ATOM 2220 CB MET B 52 11.437 -16.338 -1.873 1.00 0.12 C ATOM 2221 CG MET B 52 12.339 -15.355 -1.136 1.00 0.18 C ATOM 2222 SD MET B 52 12.202 -15.478 0.661 1.00 0.26 S ATOM 2223 CE MET B 52 13.424 -14.266 1.165 1.00 0.43 C ATOM 0 H MET B 52 10.311 -15.069 -4.118 1.00 0.17 H new ATOM 0 HA MET B 52 12.795 -16.566 -3.515 1.00 0.11 H new ATOM 0 HB2 MET B 52 10.398 -16.043 -1.727 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.554 -17.327 -1.429 1.00 0.12 H new ATOM 0 HG2 MET B 52 13.374 -15.531 -1.428 1.00 0.18 H new ATOM 0 HG3 MET B 52 12.089 -14.340 -1.445 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.123 -14.724 1.865 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.967 -13.911 0.289 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.925 -13.426 1.648 1.00 0.43 H new ATOM 2233 N LEU B 53 10.478 -17.422 -5.201 1.00 0.10 N ATOM 2234 CA LEU B 53 9.728 -18.448 -5.926 1.00 0.11 C ATOM 2235 C LEU B 53 8.622 -19.038 -5.058 1.00 0.08 C ATOM 2236 O LEU B 53 8.536 -20.255 -4.879 1.00 0.10 O ATOM 2237 CB LEU B 53 10.657 -19.560 -6.436 1.00 0.19 C ATOM 2238 CG LEU B 53 11.249 -19.323 -7.829 1.00 0.25 C ATOM 2239 CD1 LEU B 53 12.393 -18.329 -7.763 1.00 0.62 C ATOM 2240 CD2 LEU B 53 11.713 -20.636 -8.444 1.00 1.07 C ATOM 0 H LEU B 53 10.581 -16.547 -5.715 1.00 0.10 H new ATOM 0 HA LEU B 53 9.267 -17.966 -6.788 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.475 -19.683 -5.726 1.00 0.19 H new ATOM 0 HB3 LEU B 53 10.103 -20.498 -6.448 1.00 0.19 H new ATOM 0 HG LEU B 53 10.470 -18.904 -8.465 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.799 -18.175 -8.763 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.028 -17.380 -7.369 1.00 0.62 H new ATOM 0 HD13 LEU B 53 13.175 -18.717 -7.110 1.00 0.62 H new ATOM 0 HD21 LEU B 53 12.130 -20.447 -9.433 1.00 1.07 H new ATOM 0 HD22 LEU B 53 12.475 -21.086 -7.808 1.00 1.07 H new ATOM 0 HD23 LEU B 53 10.866 -21.316 -8.532 1.00 1.07 H new ATOM 2252 N ASP B 54 7.772 -18.168 -4.529 1.00 0.09 N ATOM 2253 CA ASP B 54 6.678 -18.599 -3.676 1.00 0.12 C ATOM 2254 C ASP B 54 5.515 -17.620 -3.775 1.00 0.10 C ATOM 2255 O ASP B 54 5.724 -16.415 -3.923 1.00 0.18 O ATOM 2256 CB ASP B 54 7.152 -18.713 -2.228 1.00 0.19 C ATOM 2257 CG ASP B 54 6.217 -19.541 -1.374 1.00 0.24 C ATOM 2258 OD1 ASP B 54 5.288 -20.162 -1.926 1.00 0.26 O ATOM 2259 OD2 ASP B 54 6.413 -19.636 -0.141 1.00 0.28 O1- ATOM 0 H ASP B 54 7.821 -17.160 -4.677 1.00 0.09 H new ATOM 0 HA ASP B 54 6.338 -19.579 -4.011 1.00 0.12 H new ATOM 0 HB2 ASP B 54 8.146 -19.159 -2.209 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.242 -17.715 -1.799 1.00 0.19 H new ATOM 2264 N VAL B 55 4.301 -18.145 -3.675 1.00 0.11 N ATOM 2265 CA VAL B 55 3.085 -17.334 -3.778 1.00 0.12 C ATOM 2266 C VAL B 55 2.970 -16.281 -2.656 1.00 0.08 C ATOM 2267 O VAL B 55 2.853 -15.090 -2.949 1.00 0.04 O ATOM 2268 CB VAL B 55 1.814 -18.214 -3.795 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.628 -17.431 -4.339 1.00 0.08 C ATOM 2270 CG2 VAL B 55 2.038 -19.481 -4.610 1.00 0.32 C ATOM 0 H VAL B 55 4.127 -19.138 -3.521 1.00 0.11 H new ATOM 0 HA VAL B 55 3.166 -16.803 -4.727 1.00 0.12 H new ATOM 0 HB VAL B 55 1.593 -18.507 -2.769 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.257 -18.067 -4.343 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.446 -16.561 -3.708 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.844 -17.103 -5.356 1.00 0.08 H new ATOM 0 HG21 VAL B 55 1.129 -20.082 -4.606 1.00 0.32 H new ATOM 0 HG22 VAL B 55 2.291 -19.214 -5.636 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.855 -20.055 -4.173 1.00 0.32 H new ATOM 2280 N PRO B 56 2.997 -16.676 -1.358 1.00 0.10 N ATOM 2281 CA PRO B 56 2.890 -15.718 -0.245 1.00 0.10 C ATOM 2282 C PRO B 56 3.976 -14.647 -0.273 1.00 0.07 C ATOM 2283 O PRO B 56 3.717 -13.484 0.037 1.00 0.14 O ATOM 2284 CB PRO B 56 3.028 -16.586 1.014 1.00 0.14 C ATOM 2285 CG PRO B 56 3.601 -17.875 0.541 1.00 0.15 C ATOM 2286 CD PRO B 56 3.104 -18.057 -0.861 1.00 0.14 C ATOM 0 HA PRO B 56 1.951 -15.166 -0.294 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.679 -16.112 1.749 1.00 0.14 H new ATOM 0 HB3 PRO B 56 2.062 -16.738 1.495 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.690 -17.852 0.569 1.00 0.15 H new ATOM 0 HG3 PRO B 56 3.283 -18.701 1.178 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.796 -18.649 -1.460 1.00 0.14 H new ATOM 0 HD3 PRO B 56 2.142 -18.570 -0.885 1.00 0.14 H new ATOM 2294 N LYS B 57 5.182 -15.038 -0.664 1.00 0.09 N ATOM 2295 CA LYS B 57 6.303 -14.107 -0.727 1.00 0.06 C ATOM 2296 C LYS B 57 6.105 -13.114 -1.866 1.00 0.07 C ATOM 2297 O LYS B 57 6.637 -12.006 -1.845 1.00 0.12 O ATOM 2298 CB LYS B 57 7.624 -14.858 -0.907 1.00 0.12 C ATOM 2299 CG LYS B 57 8.187 -15.453 0.380 1.00 0.17 C ATOM 2300 CD LYS B 57 7.355 -16.627 0.875 1.00 0.47 C ATOM 2301 CE LYS B 57 8.070 -17.403 1.970 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.526 -18.780 2.109 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.410 -15.993 -0.942 1.00 0.09 H new ATOM 0 HA LYS B 57 6.343 -13.560 0.215 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.477 -15.660 -1.631 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.361 -14.177 -1.332 1.00 0.12 H new ATOM 0 HG2 LYS B 57 9.212 -15.781 0.210 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.223 -14.683 1.151 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.400 -16.262 1.252 1.00 0.47 H new ATOM 0 HD3 LYS B 57 7.135 -17.294 0.041 1.00 0.47 H new ATOM 0 HE2 LYS B 57 9.135 -17.453 1.745 1.00 0.23 H new ATOM 0 HE3 LYS B 57 7.969 -16.874 2.917 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 8.192 -19.363 2.656 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 6.611 -18.744 2.603 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 7.394 -19.198 1.166 1.00 0.62 H new ATOM 2316 N LEU B 58 5.334 -13.523 -2.863 1.00 0.07 N ATOM 2317 CA LEU B 58 5.044 -12.676 -4.008 1.00 0.11 C ATOM 2318 C LEU B 58 3.931 -11.696 -3.659 1.00 0.11 C ATOM 2319 O LEU B 58 3.984 -10.515 -4.004 1.00 0.14 O ATOM 2320 CB LEU B 58 4.617 -13.537 -5.196 1.00 0.14 C ATOM 2321 CG LEU B 58 4.703 -12.852 -6.558 1.00 0.16 C ATOM 2322 CD1 LEU B 58 5.776 -13.511 -7.406 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.356 -12.891 -7.266 1.00 0.27 C ATOM 0 H LEU B 58 4.896 -14.443 -2.901 1.00 0.07 H new ATOM 0 HA LEU B 58 5.942 -12.119 -4.273 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.238 -14.432 -5.217 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.590 -13.865 -5.036 1.00 0.14 H new ATOM 0 HG LEU B 58 4.973 -11.807 -6.406 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.829 -13.015 -8.375 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.739 -13.428 -6.903 1.00 0.17 H new ATOM 0 HD13 LEU B 58 5.531 -14.563 -7.550 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.440 -12.398 -8.234 1.00 0.27 H new ATOM 0 HD22 LEU B 58 3.051 -13.927 -7.412 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.611 -12.376 -6.659 1.00 0.27 H new ATOM 2335 N ALA B 59 2.932 -12.206 -2.952 1.00 0.08 N ATOM 2336 CA ALA B 59 1.785 -11.412 -2.542 1.00 0.09 C ATOM 2337 C ALA B 59 2.186 -10.290 -1.591 1.00 0.14 C ATOM 2338 O ALA B 59 1.769 -9.149 -1.764 1.00 0.31 O ATOM 2339 CB ALA B 59 0.737 -12.301 -1.892 1.00 0.07 C ATOM 0 H ALA B 59 2.895 -13.179 -2.648 1.00 0.08 H new ATOM 0 HA ALA B 59 1.364 -10.953 -3.436 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.117 -11.695 -1.589 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.410 -13.059 -2.604 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.165 -12.788 -1.016 1.00 0.07 H new ATOM 2345 N VAL B 60 3.013 -10.612 -0.602 1.00 0.02 N ATOM 2346 CA VAL B 60 3.453 -9.623 0.379 1.00 0.05 C ATOM 2347 C VAL B 60 4.377 -8.577 -0.249 1.00 0.08 C ATOM 2348 O VAL B 60 4.505 -7.463 0.260 1.00 0.12 O ATOM 2349 CB VAL B 60 4.166 -10.296 1.579 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.527 -10.849 1.180 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.299 -9.323 2.741 1.00 0.13 C ATOM 0 H VAL B 60 3.392 -11.548 -0.457 1.00 0.02 H new ATOM 0 HA VAL B 60 2.556 -9.120 0.741 1.00 0.05 H new ATOM 0 HB VAL B 60 3.550 -11.136 1.901 1.00 0.07 H new ATOM 0 HG11 VAL B 60 5.999 -11.314 2.046 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.401 -11.592 0.393 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.157 -10.037 0.816 1.00 0.07 H new ATOM 0 HG21 VAL B 60 4.802 -9.816 3.573 1.00 0.13 H new ATOM 0 HG22 VAL B 60 4.882 -8.457 2.426 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.308 -8.997 3.058 1.00 0.13 H new ATOM 2361 N LEU B 61 4.995 -8.923 -1.375 1.00 0.08 N ATOM 2362 CA LEU B 61 5.908 -8.008 -2.048 1.00 0.11 C ATOM 2363 C LEU B 61 5.159 -6.793 -2.598 1.00 0.11 C ATOM 2364 O LEU B 61 5.728 -5.713 -2.743 1.00 0.13 O ATOM 2365 CB LEU B 61 6.667 -8.724 -3.171 1.00 0.13 C ATOM 2366 CG LEU B 61 7.817 -7.927 -3.800 1.00 0.17 C ATOM 2367 CD1 LEU B 61 8.880 -7.598 -2.761 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.429 -8.699 -4.958 1.00 0.17 C ATOM 0 H LEU B 61 4.880 -9.825 -1.837 1.00 0.08 H new ATOM 0 HA LEU B 61 6.632 -7.657 -1.313 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.068 -9.658 -2.778 1.00 0.13 H new ATOM 0 HB3 LEU B 61 5.958 -8.987 -3.956 1.00 0.13 H new ATOM 0 HG LEU B 61 7.411 -6.990 -4.182 1.00 0.17 H new ATOM 0 HD11 LEU B 61 9.685 -7.033 -3.231 1.00 0.17 H new ATOM 0 HD12 LEU B 61 8.437 -7.003 -1.963 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.281 -8.522 -2.345 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.243 -8.119 -5.392 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.815 -9.652 -4.596 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.668 -8.881 -5.717 1.00 0.17 H new ATOM 2380 N THR B 62 3.878 -6.967 -2.894 1.00 0.10 N ATOM 2381 CA THR B 62 3.081 -5.867 -3.412 1.00 0.09 C ATOM 2382 C THR B 62 2.779 -4.869 -2.304 1.00 0.09 C ATOM 2383 O THR B 62 2.892 -3.661 -2.498 1.00 0.08 O ATOM 2384 CB THR B 62 1.758 -6.357 -4.036 1.00 0.10 C ATOM 2385 OG1 THR B 62 0.962 -7.038 -3.060 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.026 -7.282 -5.205 1.00 0.12 C ATOM 0 H THR B 62 3.375 -7.848 -2.786 1.00 0.10 H new ATOM 0 HA THR B 62 3.666 -5.385 -4.195 1.00 0.09 H new ATOM 0 HB THR B 62 1.214 -5.483 -4.393 1.00 0.10 H new ATOM 0 HG1 THR B 62 1.292 -7.954 -2.950 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.079 -7.615 -5.630 1.00 0.12 H new ATOM 0 HG22 THR B 62 2.598 -6.751 -5.966 1.00 0.12 H new ATOM 0 HG23 THR B 62 2.594 -8.147 -4.862 1.00 0.12 H new ATOM 2394 N ALA B 63 2.434 -5.394 -1.132 1.00 0.10 N ATOM 2395 CA ALA B 63 2.102 -4.575 0.027 1.00 0.11 C ATOM 2396 C ALA B 63 3.232 -3.626 0.385 1.00 0.11 C ATOM 2397 O ALA B 63 3.011 -2.437 0.615 1.00 0.12 O ATOM 2398 CB ALA B 63 1.788 -5.465 1.221 1.00 0.10 C ATOM 0 H ALA B 63 2.377 -6.398 -0.960 1.00 0.10 H new ATOM 0 HA ALA B 63 1.227 -3.979 -0.230 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.541 -4.844 2.082 1.00 0.10 H new ATOM 0 HB2 ALA B 63 0.941 -6.108 0.983 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.657 -6.081 1.454 1.00 0.10 H new ATOM 2404 N VAL B 64 4.442 -4.158 0.416 1.00 0.09 N ATOM 2405 CA VAL B 64 5.603 -3.367 0.768 1.00 0.10 C ATOM 2406 C VAL B 64 5.907 -2.294 -0.283 1.00 0.12 C ATOM 2407 O VAL B 64 6.232 -1.163 0.072 1.00 0.12 O ATOM 2408 CB VAL B 64 6.841 -4.260 1.028 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.366 -4.891 -0.246 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.930 -3.470 1.719 1.00 0.11 C ATOM 0 H VAL B 64 4.643 -5.135 0.201 1.00 0.09 H new ATOM 0 HA VAL B 64 5.363 -2.851 1.698 1.00 0.10 H new ATOM 0 HB VAL B 64 6.524 -5.071 1.683 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.234 -5.508 -0.015 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.588 -5.511 -0.692 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.654 -4.108 -0.948 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.792 -4.114 1.893 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.226 -2.631 1.090 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.558 -3.095 2.673 1.00 0.11 H new ATOM 2420 N GLN B 65 5.767 -2.619 -1.567 1.00 0.15 N ATOM 2421 CA GLN B 65 6.043 -1.632 -2.601 1.00 0.19 C ATOM 2422 C GLN B 65 4.951 -0.568 -2.618 1.00 0.13 C ATOM 2423 O GLN B 65 5.241 0.624 -2.717 1.00 0.16 O ATOM 2424 CB GLN B 65 6.179 -2.262 -3.989 1.00 0.34 C ATOM 2425 CG GLN B 65 6.972 -1.374 -4.945 1.00 0.57 C ATOM 2426 CD GLN B 65 6.863 -1.798 -6.394 1.00 0.79 C ATOM 2427 OE1 GLN B 65 7.645 -2.614 -6.875 1.00 0.98 O ATOM 2428 NE2 GLN B 65 5.908 -1.224 -7.108 1.00 0.80 N ATOM 0 H GLN B 65 5.472 -3.534 -1.907 1.00 0.15 H new ATOM 0 HA GLN B 65 7.001 -1.173 -2.357 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.672 -3.230 -3.901 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.187 -2.445 -4.403 1.00 0.34 H new ATOM 0 HG2 GLN B 65 6.622 -0.346 -4.848 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.021 -1.383 -4.650 1.00 0.57 H new ATOM 0 HE21 GLN B 65 5.279 -0.551 -6.670 1.00 0.80 H new ATOM 0 HE22 GLN B 65 5.801 -1.455 -8.096 1.00 0.80 H new ATOM 2437 N ILE B 66 3.699 -1.005 -2.496 1.00 0.15 N ATOM 2438 CA ILE B 66 2.562 -0.089 -2.487 1.00 0.16 C ATOM 2439 C ILE B 66 2.724 0.935 -1.367 1.00 0.11 C ATOM 2440 O ILE B 66 2.493 2.132 -1.559 1.00 0.27 O ATOM 2441 CB ILE B 66 1.228 -0.857 -2.315 1.00 0.27 C ATOM 2442 CG1 ILE B 66 0.881 -1.611 -3.606 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.099 0.090 -1.928 1.00 0.89 C ATOM 2444 CD1 ILE B 66 -0.289 -2.565 -3.469 1.00 1.38 C ATOM 0 H ILE B 66 3.447 -1.989 -2.402 1.00 0.15 H new ATOM 0 HA ILE B 66 2.535 0.428 -3.446 1.00 0.16 H new ATOM 0 HB ILE B 66 1.350 -1.580 -1.509 1.00 0.27 H new ATOM 0 HG12 ILE B 66 0.655 -0.886 -4.388 1.00 0.64 H new ATOM 0 HG13 ILE B 66 1.757 -2.171 -3.934 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.826 -0.475 -1.814 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.343 0.581 -0.986 1.00 0.89 H new ATOM 0 HG23 ILE B 66 -0.029 0.842 -2.707 1.00 0.89 H new ATOM 0 HD11 ILE B 66 -0.470 -3.058 -4.424 1.00 1.38 H new ATOM 0 HD12 ILE B 66 -0.061 -3.314 -2.711 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -1.179 -2.009 -3.173 1.00 1.38 H new ATOM 2456 N ALA B 67 3.161 0.459 -0.208 1.00 0.16 N ATOM 2457 CA ALA B 67 3.370 1.320 0.940 1.00 0.13 C ATOM 2458 C ALA B 67 4.424 2.384 0.639 1.00 0.06 C ATOM 2459 O ALA B 67 4.189 3.568 0.860 1.00 0.09 O ATOM 2460 CB ALA B 67 3.763 0.496 2.155 1.00 0.16 C ATOM 0 H ALA B 67 3.377 -0.524 -0.042 1.00 0.16 H new ATOM 0 HA ALA B 67 2.433 1.832 1.160 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.916 1.156 3.008 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.969 -0.215 2.385 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.685 -0.045 1.945 1.00 0.16 H new ATOM 2466 N SER B 68 5.569 1.965 0.101 1.00 0.08 N ATOM 2467 CA SER B 68 6.649 2.897 -0.220 1.00 0.06 C ATOM 2468 C SER B 68 6.241 3.881 -1.319 1.00 0.16 C ATOM 2469 O SER B 68 6.684 5.032 -1.335 1.00 0.21 O ATOM 2470 CB SER B 68 7.906 2.128 -0.638 1.00 0.06 C ATOM 2471 OG SER B 68 7.581 0.981 -1.413 1.00 0.28 O ATOM 0 H SER B 68 5.772 0.990 -0.121 1.00 0.08 H new ATOM 0 HA SER B 68 6.864 3.475 0.679 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.561 2.783 -1.213 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.460 1.824 0.250 1.00 0.06 H new ATOM 0 HG SER B 68 6.745 1.141 -1.899 1.00 0.28 H new ATOM 2477 N GLU B 69 5.391 3.431 -2.235 1.00 0.26 N ATOM 2478 CA GLU B 69 4.938 4.274 -3.332 1.00 0.35 C ATOM 2479 C GLU B 69 4.119 5.455 -2.815 1.00 0.24 C ATOM 2480 O GLU B 69 4.244 6.573 -3.310 1.00 0.18 O ATOM 2481 CB GLU B 69 4.110 3.460 -4.331 1.00 0.52 C ATOM 2482 CG GLU B 69 4.936 2.487 -5.162 1.00 0.44 C ATOM 2483 CD GLU B 69 4.203 1.984 -6.393 1.00 1.20 C ATOM 2484 OE1 GLU B 69 3.855 2.817 -7.258 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 3.981 0.756 -6.506 1.00 1.71 O ATOM 0 H GLU B 69 5.003 2.488 -2.239 1.00 0.26 H new ATOM 0 HA GLU B 69 5.821 4.663 -3.839 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.347 2.903 -3.788 1.00 0.52 H new ATOM 0 HB3 GLU B 69 3.589 4.145 -5.001 1.00 0.52 H new ATOM 0 HG2 GLU B 69 5.860 2.976 -5.471 1.00 0.44 H new ATOM 0 HG3 GLU B 69 5.218 1.636 -4.541 1.00 0.44 H new ATOM 2492 N TYR B 70 3.301 5.210 -1.803 1.00 0.23 N ATOM 2493 CA TYR B 70 2.461 6.257 -1.241 1.00 0.15 C ATOM 2494 C TYR B 70 3.139 6.982 -0.080 1.00 0.08 C ATOM 2495 O TYR B 70 2.902 8.171 0.135 1.00 0.12 O ATOM 2496 CB TYR B 70 1.133 5.672 -0.766 1.00 0.24 C ATOM 2497 CG TYR B 70 0.223 5.218 -1.888 1.00 0.32 C ATOM 2498 CD1 TYR B 70 -0.272 6.123 -2.817 1.00 0.57 C ATOM 2499 CD2 TYR B 70 -0.149 3.885 -2.010 1.00 0.75 C ATOM 2500 CE1 TYR B 70 -1.106 5.712 -3.839 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -0.982 3.467 -3.030 1.00 0.85 C ATOM 2502 CZ TYR B 70 -1.459 4.386 -3.940 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.287 3.977 -4.960 1.00 0.59 O ATOM 0 H TYR B 70 3.201 4.299 -1.355 1.00 0.23 H new ATOM 0 HA TYR B 70 2.286 6.984 -2.034 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.335 4.825 -0.110 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.611 6.420 -0.169 1.00 0.24 H new ATOM 0 HD1 TYR B 70 -0.001 7.166 -2.740 1.00 0.57 H new ATOM 0 HD2 TYR B 70 0.219 3.163 -1.296 1.00 0.75 H new ATOM 0 HE1 TYR B 70 -1.479 6.429 -4.556 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -1.258 2.426 -3.114 1.00 0.85 H new ATOM 0 HH TYR B 70 -1.777 3.434 -5.597 1.00 0.59 H new ATOM 2513 N LEU B 71 3.990 6.279 0.661 1.00 0.09 N ATOM 2514 CA LEU B 71 4.663 6.873 1.818 1.00 0.17 C ATOM 2515 C LEU B 71 5.580 8.032 1.427 1.00 0.22 C ATOM 2516 O LEU B 71 5.660 9.030 2.144 1.00 0.26 O ATOM 2517 CB LEU B 71 5.445 5.821 2.612 1.00 0.24 C ATOM 2518 CG LEU B 71 4.703 5.265 3.847 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.309 3.952 4.323 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.704 6.279 4.986 1.00 0.32 C ATOM 0 H LEU B 71 4.231 5.304 0.485 1.00 0.09 H new ATOM 0 HA LEU B 71 3.877 7.277 2.456 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.690 4.992 1.948 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.389 6.258 2.938 1.00 0.24 H new ATOM 0 HG LEU B 71 3.674 5.075 3.543 1.00 0.27 H new ATOM 0 HD11 LEU B 71 4.760 3.592 5.193 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.248 3.213 3.524 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.353 4.110 4.592 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.175 5.863 5.844 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.732 6.507 5.269 1.00 0.32 H new ATOM 0 HD23 LEU B 71 4.206 7.192 4.661 1.00 0.32 H new ATOM 2532 N LYS B 72 6.271 7.914 0.301 1.00 0.23 N ATOM 2533 CA LYS B 72 7.158 8.986 -0.140 1.00 0.27 C ATOM 2534 C LYS B 72 6.351 10.124 -0.768 1.00 0.24 C ATOM 2535 O LYS B 72 6.840 11.246 -0.909 1.00 0.29 O ATOM 2536 CB LYS B 72 8.214 8.467 -1.125 1.00 0.31 C ATOM 2537 CG LYS B 72 7.729 8.350 -2.561 1.00 0.38 C ATOM 2538 CD LYS B 72 8.879 8.067 -3.513 1.00 0.40 C ATOM 2539 CE LYS B 72 9.388 6.642 -3.368 1.00 0.52 C ATOM 2540 NZ LYS B 72 8.303 5.643 -3.542 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.238 7.102 -0.316 1.00 0.23 H new ATOM 0 HA LYS B 72 7.680 9.370 0.736 1.00 0.27 H new ATOM 0 HB2 LYS B 72 9.076 9.133 -1.099 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.557 7.488 -0.789 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.990 7.552 -2.633 1.00 0.38 H new ATOM 0 HG3 LYS B 72 7.230 9.274 -2.855 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.552 8.234 -4.539 1.00 0.40 H new ATOM 0 HD3 LYS B 72 9.693 8.766 -3.320 1.00 0.40 H new ATOM 0 HE2 LYS B 72 10.170 6.460 -4.105 1.00 0.52 H new ATOM 0 HE3 LYS B 72 9.841 6.517 -2.385 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 8.712 4.734 -3.840 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 7.799 5.517 -2.641 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 7.637 5.977 -4.268 1.00 0.58 H new ATOM 2554 N LEU B 73 5.109 9.828 -1.134 1.00 0.17 N ATOM 2555 CA LEU B 73 4.234 10.825 -1.734 1.00 0.14 C ATOM 2556 C LEU B 73 3.596 11.683 -0.649 1.00 0.11 C ATOM 2557 O LEU B 73 3.601 12.908 -0.731 1.00 0.09 O ATOM 2558 CB LEU B 73 3.151 10.156 -2.585 1.00 0.13 C ATOM 2559 CG LEU B 73 2.151 11.120 -3.230 1.00 0.12 C ATOM 2560 CD1 LEU B 73 2.840 12.027 -4.238 1.00 0.08 C ATOM 2561 CD2 LEU B 73 1.028 10.351 -3.894 1.00 0.15 C ATOM 0 H LEU B 73 4.687 8.906 -1.025 1.00 0.17 H new ATOM 0 HA LEU B 73 4.834 11.463 -2.383 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.634 9.576 -3.372 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.603 9.451 -1.960 1.00 0.13 H new ATOM 0 HG LEU B 73 1.729 11.746 -2.443 1.00 0.12 H new ATOM 0 HD11 LEU B 73 2.107 12.701 -4.681 1.00 0.08 H new ATOM 0 HD12 LEU B 73 3.612 12.610 -3.735 1.00 0.08 H new ATOM 0 HD13 LEU B 73 3.295 11.421 -5.021 1.00 0.08 H new ATOM 0 HD21 LEU B 73 0.326 11.051 -4.347 1.00 0.15 H new ATOM 0 HD22 LEU B 73 1.439 9.699 -4.665 1.00 0.15 H new ATOM 0 HD23 LEU B 73 0.509 9.749 -3.148 1.00 0.15 H new ATOM 2573 N LYS B 74 3.057 11.035 0.381 1.00 0.11 N ATOM 2574 CA LYS B 74 2.434 11.760 1.491 1.00 0.10 C ATOM 2575 C LYS B 74 3.462 12.648 2.191 1.00 0.13 C ATOM 2576 O LYS B 74 3.111 13.612 2.871 1.00 0.13 O ATOM 2577 CB LYS B 74 1.776 10.794 2.492 1.00 0.12 C ATOM 2578 CG LYS B 74 2.719 9.766 3.109 1.00 0.20 C ATOM 2579 CD LYS B 74 3.370 10.266 4.390 1.00 0.28 C ATOM 2580 CE LYS B 74 2.449 10.136 5.591 1.00 0.32 C ATOM 2581 NZ LYS B 74 3.085 10.668 6.820 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.038 10.019 0.472 1.00 0.11 H new ATOM 0 HA LYS B 74 1.649 12.394 1.080 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.324 11.378 3.294 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.967 10.266 1.987 1.00 0.12 H new ATOM 0 HG2 LYS B 74 2.166 8.851 3.320 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.495 9.510 2.387 1.00 0.20 H new ATOM 0 HD2 LYS B 74 4.285 9.703 4.574 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.657 11.310 4.266 1.00 0.28 H new ATOM 0 HE2 LYS B 74 1.520 10.673 5.399 1.00 0.32 H new ATOM 0 HE3 LYS B 74 2.187 9.088 5.739 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 2.401 10.643 7.603 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.912 10.086 7.063 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 3.389 11.649 6.657 1.00 0.43 H new ATOM 2595 N GLU B 75 4.735 12.306 2.008 1.00 0.17 N ATOM 2596 CA GLU B 75 5.830 13.060 2.592 1.00 0.20 C ATOM 2597 C GLU B 75 5.883 14.469 2.006 1.00 0.16 C ATOM 2598 O GLU B 75 5.920 15.450 2.747 1.00 0.20 O ATOM 2599 CB GLU B 75 7.155 12.330 2.351 1.00 0.27 C ATOM 2600 CG GLU B 75 8.351 13.002 3.004 1.00 0.36 C ATOM 2601 CD GLU B 75 8.291 12.977 4.520 1.00 0.45 C ATOM 2602 OE1 GLU B 75 7.519 12.169 5.085 1.00 0.55 O ATOM 2603 OE2 GLU B 75 9.030 13.750 5.154 1.00 0.44 O1- ATOM 0 H GLU B 75 5.031 11.503 1.453 1.00 0.17 H new ATOM 0 HA GLU B 75 5.664 13.143 3.666 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.072 11.311 2.728 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.331 12.259 1.278 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.264 12.507 2.674 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.409 14.036 2.665 1.00 0.36 H new ATOM 2610 N GLU B 76 5.853 14.572 0.675 1.00 0.13 N ATOM 2611 CA GLU B 76 5.903 15.876 0.017 1.00 0.11 C ATOM 2612 C GLU B 76 4.681 16.705 0.397 1.00 0.08 C ATOM 2613 O GLU B 76 4.752 17.930 0.481 1.00 0.08 O ATOM 2614 CB GLU B 76 5.996 15.733 -1.509 1.00 0.17 C ATOM 2615 CG GLU B 76 4.697 15.305 -2.181 1.00 0.18 C ATOM 2616 CD GLU B 76 4.629 15.698 -3.643 1.00 0.21 C ATOM 2617 OE1 GLU B 76 4.165 16.822 -3.941 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 5.038 14.891 -4.502 1.00 0.20 O ATOM 0 H GLU B 76 5.795 13.776 0.039 1.00 0.13 H new ATOM 0 HA GLU B 76 6.802 16.389 0.359 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.313 16.686 -1.932 1.00 0.17 H new ATOM 0 HB3 GLU B 76 6.771 15.005 -1.747 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.589 14.224 -2.096 1.00 0.18 H new ATOM 0 HG3 GLU B 76 3.856 15.752 -1.651 1.00 0.18 H new ATOM 2625 N TYR B 77 3.576 16.016 0.658 1.00 0.07 N ATOM 2626 CA TYR B 77 2.325 16.653 1.043 1.00 0.11 C ATOM 2627 C TYR B 77 2.499 17.430 2.350 1.00 0.13 C ATOM 2628 O TYR B 77 1.925 18.504 2.534 1.00 0.22 O ATOM 2629 CB TYR B 77 1.239 15.578 1.185 1.00 0.13 C ATOM 2630 CG TYR B 77 0.053 15.975 2.032 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.845 16.938 1.601 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -0.182 15.363 3.254 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -1.934 17.293 2.365 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -1.271 15.710 4.023 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.146 16.672 3.574 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.234 17.015 4.340 1.00 0.23 O ATOM 0 H TYR B 77 3.524 14.999 0.608 1.00 0.07 H new ATOM 0 HA TYR B 77 2.025 17.364 0.273 1.00 0.11 H new ATOM 0 HB2 TYR B 77 0.882 15.310 0.190 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.689 14.683 1.614 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.688 17.420 0.647 1.00 0.12 H new ATOM 0 HD2 TYR B 77 0.499 14.603 3.608 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -2.617 18.054 2.017 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -1.437 15.228 4.975 1.00 0.25 H new ATOM 0 HH TYR B 77 -3.968 16.389 4.165 1.00 0.23 H new ATOM 2646 N GLN B 78 3.309 16.886 3.245 1.00 0.22 N ATOM 2647 CA GLN B 78 3.565 17.521 4.531 1.00 0.30 C ATOM 2648 C GLN B 78 4.741 18.490 4.440 1.00 0.37 C ATOM 2649 O GLN B 78 4.867 19.407 5.251 1.00 0.84 O ATOM 2650 CB GLN B 78 3.844 16.458 5.598 1.00 0.28 C ATOM 2651 CG GLN B 78 2.638 15.602 5.935 1.00 0.17 C ATOM 2652 CD GLN B 78 3.002 14.395 6.772 1.00 0.26 C ATOM 2653 OE1 GLN B 78 3.288 13.322 6.245 1.00 0.53 O ATOM 2654 NE2 GLN B 78 3.001 14.562 8.084 1.00 0.24 N ATOM 0 H GLN B 78 3.802 16.004 3.105 1.00 0.22 H new ATOM 0 HA GLN B 78 2.677 18.087 4.812 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.652 15.813 5.253 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.195 16.950 6.505 1.00 0.28 H new ATOM 0 HG2 GLN B 78 1.906 16.206 6.472 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.162 15.270 5.012 1.00 0.17 H new ATOM 0 HE21 GLN B 78 2.758 15.469 8.482 1.00 0.24 H new ATOM 0 HE22 GLN B 78 3.244 13.784 8.697 1.00 0.24 H new ATOM 2663 N ARG B 79 5.593 18.291 3.442 1.00 0.28 N ATOM 2664 CA ARG B 79 6.769 19.135 3.260 1.00 0.30 C ATOM 2665 C ARG B 79 6.436 20.444 2.557 1.00 0.27 C ATOM 2666 O ARG B 79 6.787 21.522 3.038 1.00 0.23 O ATOM 2667 CB ARG B 79 7.847 18.391 2.467 1.00 0.34 C ATOM 2668 CG ARG B 79 8.394 17.164 3.178 1.00 0.63 C ATOM 2669 CD ARG B 79 9.130 17.541 4.449 1.00 0.85 C ATOM 2670 NE ARG B 79 9.331 16.393 5.323 1.00 1.45 N ATOM 2671 CZ ARG B 79 9.672 16.485 6.601 1.00 1.28 C ATOM 2672 NH1 ARG B 79 9.792 17.675 7.181 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 9.863 15.374 7.301 1.00 2.05 N ATOM 0 H ARG B 79 5.492 17.553 2.746 1.00 0.28 H new ATOM 0 HA ARG B 79 7.143 19.374 4.256 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.433 18.088 1.505 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.669 19.076 2.259 1.00 0.34 H new ATOM 0 HG2 ARG B 79 7.575 16.486 3.418 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.068 16.626 2.512 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.096 17.976 4.193 1.00 0.85 H new ATOM 0 HD3 ARG B 79 8.566 18.308 4.981 1.00 0.85 H new ATOM 0 HE ARG B 79 9.202 15.462 4.928 1.00 1.45 H new ATOM 0 HH11 ARG B 79 9.621 18.524 6.643 1.00 0.73 H new ATOM 0 HH12 ARG B 79 10.055 17.739 8.165 1.00 0.73 H new ATOM 0 HH21 ARG B 79 9.747 14.464 6.855 1.00 2.05 H new ATOM 0 HH22 ARG B 79 10.126 15.430 8.285 1.00 2.05 H new ATOM 2687 N LEU B 80 5.749 20.360 1.429 1.00 0.30 N ATOM 2688 CA LEU B 80 5.413 21.556 0.667 1.00 0.28 C ATOM 2689 C LEU B 80 4.462 22.463 1.443 1.00 0.23 C ATOM 2690 O LEU B 80 4.449 23.672 1.235 1.00 0.28 O ATOM 2691 CB LEU B 80 4.821 21.194 -0.704 1.00 0.31 C ATOM 2692 CG LEU B 80 3.295 21.335 -0.839 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.901 21.627 -2.281 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.596 20.077 -0.351 1.00 0.44 C ATOM 0 H LEU B 80 5.415 19.486 1.022 1.00 0.30 H new ATOM 0 HA LEU B 80 6.339 22.106 0.501 1.00 0.28 H new ATOM 0 HB2 LEU B 80 5.292 21.824 -1.459 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.092 20.164 -0.934 1.00 0.31 H new ATOM 0 HG LEU B 80 2.980 22.174 -0.219 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.817 21.722 -2.350 1.00 0.79 H new ATOM 0 HD12 LEU B 80 3.368 22.557 -2.605 1.00 0.79 H new ATOM 0 HD13 LEU B 80 3.235 20.811 -2.922 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.518 20.197 -0.455 1.00 0.44 H new ATOM 0 HD22 LEU B 80 2.925 19.224 -0.945 1.00 0.44 H new ATOM 0 HD23 LEU B 80 2.843 19.907 0.697 1.00 0.44 H new ATOM 2706 N ARG B 81 3.690 21.884 2.354 1.00 0.20 N ATOM 2707 CA ARG B 81 2.740 22.657 3.141 1.00 0.15 C ATOM 2708 C ARG B 81 3.426 23.382 4.297 1.00 0.15 C ATOM 2709 O ARG B 81 3.096 24.531 4.591 1.00 0.43 O ATOM 2710 CB ARG B 81 1.616 21.763 3.668 1.00 0.22 C ATOM 2711 CG ARG B 81 0.519 21.508 2.644 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.785 21.066 3.300 1.00 0.65 C ATOM 2713 NE ARG B 81 -1.133 21.886 4.469 1.00 1.05 N ATOM 2714 CZ ARG B 81 -1.583 23.144 4.405 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -1.731 23.751 3.231 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -1.879 23.802 5.519 1.00 2.12 N ATOM 0 H ARG B 81 3.703 20.886 2.565 1.00 0.20 H new ATOM 0 HA ARG B 81 2.309 23.410 2.482 1.00 0.15 H new ATOM 0 HB2 ARG B 81 2.038 20.809 3.983 1.00 0.22 H new ATOM 0 HB3 ARG B 81 1.178 22.226 4.552 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.344 22.416 2.066 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.849 20.742 1.942 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.592 21.120 2.569 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -0.700 20.023 3.604 1.00 0.65 H new ATOM 0 HE ARG B 81 -1.024 21.467 5.393 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -1.501 23.257 2.369 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.075 24.711 3.193 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -1.763 23.348 6.425 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -2.222 24.761 5.469 1.00 2.12 H new ATOM 2730 N GLU B 82 4.390 22.730 4.940 1.00 0.39 N ATOM 2731 CA GLU B 82 5.088 23.344 6.067 1.00 0.44 C ATOM 2732 C GLU B 82 5.936 24.532 5.607 1.00 0.34 C ATOM 2733 O GLU B 82 6.107 25.503 6.344 1.00 0.27 O ATOM 2734 CB GLU B 82 5.953 22.313 6.810 1.00 0.69 C ATOM 2735 CG GLU B 82 7.286 22.008 6.141 1.00 0.48 C ATOM 2736 CD GLU B 82 8.107 20.993 6.912 1.00 0.92 C ATOM 2737 OE1 GLU B 82 8.356 21.207 8.118 1.00 1.70 O1- ATOM 2738 OE2 GLU B 82 8.503 19.970 6.316 1.00 1.27 O ATOM 0 H GLU B 82 4.704 21.788 4.705 1.00 0.39 H new ATOM 0 HA GLU B 82 4.334 23.715 6.761 1.00 0.44 H new ATOM 0 HB2 GLU B 82 6.143 22.677 7.820 1.00 0.69 H new ATOM 0 HB3 GLU B 82 5.388 21.386 6.906 1.00 0.69 H new ATOM 0 HG2 GLU B 82 7.105 21.634 5.133 1.00 0.48 H new ATOM 0 HG3 GLU B 82 7.857 22.931 6.040 1.00 0.48 H new ATOM 2745 N GLN B 83 6.437 24.463 4.381 1.00 0.35 N ATOM 2746 CA GLN B 83 7.260 25.535 3.833 1.00 0.31 C ATOM 2747 C GLN B 83 6.395 26.568 3.114 1.00 0.28 C ATOM 2748 O GLN B 83 6.872 27.633 2.725 1.00 0.30 O ATOM 2749 CB GLN B 83 8.301 24.967 2.867 1.00 0.36 C ATOM 2750 CG GLN B 83 7.688 24.277 1.661 1.00 0.39 C ATOM 2751 CD GLN B 83 8.446 24.552 0.380 1.00 0.29 C ATOM 2752 OE1 GLN B 83 9.664 24.721 0.387 1.00 0.45 O ATOM 2753 NE2 GLN B 83 7.728 24.606 -0.730 1.00 0.89 N ATOM 0 H GLN B 83 6.289 23.678 3.747 1.00 0.35 H new ATOM 0 HA GLN B 83 7.773 26.025 4.661 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.948 25.775 2.525 1.00 0.36 H new ATOM 0 HB3 GLN B 83 8.933 24.257 3.401 1.00 0.36 H new ATOM 0 HG2 GLN B 83 7.661 23.202 1.838 1.00 0.39 H new ATOM 0 HG3 GLN B 83 6.656 24.607 1.545 1.00 0.39 H new ATOM 0 HE21 GLN B 83 6.719 24.460 -0.692 1.00 0.89 H new ATOM 0 HE22 GLN B 83 8.183 24.794 -1.623 1.00 0.89 H new ATOM 2762 N LEU B 84 5.120 26.244 2.940 1.00 0.27 N ATOM 2763 CA LEU B 84 4.189 27.137 2.261 1.00 0.26 C ATOM 2764 C LEU B 84 3.674 28.195 3.227 1.00 0.19 C ATOM 2765 O LEU B 84 3.318 29.300 2.821 1.00 0.26 O ATOM 2766 CB LEU B 84 3.010 26.344 1.675 1.00 0.39 C ATOM 2767 CG LEU B 84 2.635 26.701 0.225 1.00 0.50 C ATOM 2768 CD1 LEU B 84 1.702 25.658 -0.384 1.00 0.62 C ATOM 2769 CD2 LEU B 84 1.990 28.078 0.150 1.00 1.24 C ATOM 0 H LEU B 84 4.706 25.368 3.260 1.00 0.27 H new ATOM 0 HA LEU B 84 4.719 27.629 1.445 1.00 0.26 H new ATOM 0 HB2 LEU B 84 3.249 25.282 1.720 1.00 0.39 H new ATOM 0 HB3 LEU B 84 2.137 26.501 2.308 1.00 0.39 H new ATOM 0 HG LEU B 84 3.560 26.714 -0.352 1.00 0.50 H new ATOM 0 HD11 LEU B 84 1.458 25.942 -1.408 1.00 0.62 H new ATOM 0 HD12 LEU B 84 2.194 24.686 -0.385 1.00 0.62 H new ATOM 0 HD13 LEU B 84 0.786 25.601 0.205 1.00 0.62 H new ATOM 0 HD21 LEU B 84 1.735 28.305 -0.885 1.00 1.24 H new ATOM 0 HD22 LEU B 84 1.085 28.089 0.757 1.00 1.24 H new ATOM 0 HD23 LEU B 84 2.687 28.827 0.524 1.00 1.24 H new ATOM 2781 N LYS B 85 3.652 27.856 4.506 1.00 0.35 N ATOM 2782 CA LYS B 85 3.169 28.772 5.531 1.00 0.59 C ATOM 2783 C LYS B 85 4.309 29.628 6.082 1.00 0.72 C ATOM 2784 O LYS B 85 5.477 29.426 5.736 1.00 0.98 O ATOM 2785 CB LYS B 85 2.493 27.993 6.662 1.00 0.69 C ATOM 2786 CG LYS B 85 3.465 27.211 7.534 1.00 0.66 C ATOM 2787 CD LYS B 85 2.751 26.496 8.669 1.00 0.84 C ATOM 2788 CE LYS B 85 3.736 25.825 9.611 1.00 1.01 C ATOM 2789 NZ LYS B 85 3.057 25.281 10.813 1.00 1.80 N1+ ATOM 0 H LYS B 85 3.963 26.952 4.861 1.00 0.35 H new ATOM 0 HA LYS B 85 2.436 29.438 5.075 1.00 0.59 H new ATOM 0 HB2 LYS B 85 1.937 28.690 7.289 1.00 0.69 H new ATOM 0 HB3 LYS B 85 1.768 27.302 6.232 1.00 0.69 H new ATOM 0 HG2 LYS B 85 3.997 26.482 6.923 1.00 0.66 H new ATOM 0 HG3 LYS B 85 4.213 27.890 7.945 1.00 0.66 H new ATOM 0 HD2 LYS B 85 2.143 27.210 9.225 1.00 0.84 H new ATOM 0 HD3 LYS B 85 2.071 25.749 8.259 1.00 0.84 H new ATOM 0 HE2 LYS B 85 4.251 25.020 9.087 1.00 1.01 H new ATOM 0 HE3 LYS B 85 4.496 26.544 9.916 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 3.759 24.830 11.434 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 2.587 26.054 11.326 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 2.349 24.577 10.523 1.00 1.80 H new ATOM 2803 N LYS B 86 3.958 30.586 6.931 1.00 0.59 N ATOM 2804 CA LYS B 86 4.925 31.485 7.547 1.00 0.82 C ATOM 2805 C LYS B 86 4.292 32.134 8.770 1.00 0.82 C ATOM 2806 O LYS B 86 4.991 32.852 9.512 1.00 1.02 O ATOM 2807 CB LYS B 86 5.382 32.560 6.549 1.00 1.00 C ATOM 2808 CG LYS B 86 6.523 33.431 7.056 1.00 1.09 C ATOM 2809 CD LYS B 86 6.148 34.903 7.038 1.00 1.23 C ATOM 2810 CE LYS B 86 6.814 35.655 8.179 1.00 1.10 C ATOM 2811 NZ LYS B 86 6.211 35.318 9.498 1.00 0.86 N1+ ATOM 0 H LYS B 86 2.993 30.761 7.212 1.00 0.59 H new ATOM 0 HA LYS B 86 5.803 30.914 7.849 1.00 0.82 H new ATOM 0 HB2 LYS B 86 5.693 32.074 5.624 1.00 1.00 H new ATOM 0 HB3 LYS B 86 4.533 33.198 6.304 1.00 1.00 H new ATOM 0 HG2 LYS B 86 6.786 33.134 8.071 1.00 1.09 H new ATOM 0 HG3 LYS B 86 7.407 33.272 6.438 1.00 1.09 H new ATOM 0 HD2 LYS B 86 6.444 35.345 6.086 1.00 1.23 H new ATOM 0 HD3 LYS B 86 5.066 35.006 7.114 1.00 1.23 H new ATOM 0 HE2 LYS B 86 7.878 35.419 8.196 1.00 1.10 H new ATOM 0 HE3 LYS B 86 6.728 36.728 8.005 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 6.960 35.024 10.157 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 5.722 36.153 9.880 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 5.529 34.542 9.380 1.00 0.86 H new TER 2825 LYS B 86