USER MOD reduce.3.24.130724 H: found=0, std=0, add=1434, rem=0, adj=41 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: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 70 TYR OH : rot 30:sc= -0.986 USER MOD Set 2.1: B 42 LYS NZ :NH3+ -167:sc= 1.3 (180deg=0.574) USER MOD Set 2.2: B 65 GLN : amide:sc= -0.546 K(o=0.75,f=-6.8!) USER MOD Set 3.1: A 65 GLN : amide:sc= -0.271 K(o=0.71,f=-0.83!) USER MOD Set 3.2: A 68 SER OG : rot 32:sc= 0.982 USER MOD Set 4.1: A 57 LYS NZ :NH3+ -103:sc= 1.27 (180deg=-0.0727) USER MOD Set 4.2: B 19 GLN : amide:sc= 0.499 K(o=1.8,f=1.1) USER MOD Set 5.1: A 19 GLN : amide:sc= -1.96! K(o=-2.5!,f=-0.75) USER MOD Set 5.2: A 21 TYR OH : rot 180:sc= -0.536 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0982 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.0394 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 161:sc= -0.0288 (180deg=-0.29) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0281 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.339 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.14 USER MOD Single : A 31 HIS : no HD1:sc= -1.51 C(o=0.0012!,f=-11!) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 2.38 (180deg=1.09) USER MOD Single : A 43 MET CE :methyl -156:sc= -0.0985 (180deg=-0.561) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -83:sc= 0.518 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.00645 K(o=-0.0065,f=-1.1) USER MOD Single : A 52 MET CE :methyl -178:sc= 0 (180deg=-0.00158) USER MOD Single : A 62 THR OG1 : rot 25:sc= 0.889 USER MOD Single : A 70 TYR OH : rot -36:sc= 0.235 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 1.18 (180deg=1.02) USER MOD Single : A 77 TYR OH : rot 180:sc= 0.46 USER MOD Single : A 78 GLN : amide:sc= 0.477! K(o=0.48!,f=-0.42) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= -0.0395 (180deg=-0.233) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 170:sc= 0 (180deg=-0.0825) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.106 USER MOD Single : B 7 GLN : amide:sc= -0.74 K(o=-0.74,f=0) 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 13 SER OG : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 TYR OH : rot 180:sc= -0.0154 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 11:sc= 0.655 USER MOD Single : B 31 HIS : no HE2:sc= -1.83! C(o=-1.8!,f=-6.4!) USER MOD Single : B 43 MET CE :methyl -152:sc= -0.21 (180deg=-0.656) USER MOD Single : B 44 HIS : no HD1:sc=-0.000564 X(o=-0.00056,f=0) USER MOD Single : B 47 SER OG : rot 160:sc= -0.15 USER MOD Single : B 49 LYS NZ :NH3+ -138:sc= 1.22 (180deg=0.931) USER MOD Single : B 50 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.4!) USER MOD Single : B 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 166:sc= 2.24 (180deg=2.18) USER MOD Single : B 62 THR OG1 : rot -157:sc= 1.55 USER MOD Single : B 68 SER OG : rot 53:sc= 0.795 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= -0.424 USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 GLN : amide:sc=-0.00603 K(o=-0.006,f=-1.3) USER MOD Single : B 85 LYS NZ :NH3+ 160:sc= -0.115 (180deg=-0.5) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.995 -11.384 -9.305 1.00 0.23 N ATOM 2 CA GLY A 1 33.797 -10.237 -9.794 1.00 0.52 C ATOM 3 C GLY A 1 32.974 -8.969 -9.877 1.00 0.32 C ATOM 4 O GLY A 1 31.746 -9.018 -9.788 1.00 0.19 O ATOM 0 H1 GLY A 1 33.384 -11.719 -8.401 1.00 0.23 H new ATOM 0 H2 GLY A 1 32.009 -11.084 -9.167 1.00 0.23 H new ATOM 0 H3 GLY A 1 33.029 -12.154 -10.003 1.00 0.23 H new ATOM 0 HA2 GLY A 1 34.645 -10.077 -9.128 1.00 0.52 H new ATOM 0 HA3 GLY A 1 34.204 -10.471 -10.778 1.00 0.52 H new ATOM 10 N SER A 2 33.643 -7.838 -10.037 1.00 0.42 N ATOM 11 CA SER A 2 32.968 -6.552 -10.121 1.00 0.34 C ATOM 12 C SER A 2 32.565 -6.247 -11.559 1.00 0.28 C ATOM 13 O SER A 2 33.132 -6.798 -12.507 1.00 0.53 O ATOM 14 CB SER A 2 33.886 -5.451 -9.585 1.00 0.58 C ATOM 15 OG SER A 2 35.223 -5.651 -10.016 1.00 0.54 O ATOM 0 H SER A 2 34.659 -7.785 -10.112 1.00 0.42 H new ATOM 0 HA SER A 2 32.063 -6.592 -9.515 1.00 0.34 H new ATOM 0 HB2 SER A 2 33.531 -4.478 -9.926 1.00 0.58 H new ATOM 0 HB3 SER A 2 33.849 -5.439 -8.496 1.00 0.58 H new ATOM 0 HG SER A 2 35.222 -6.076 -10.899 1.00 0.54 H new ATOM 21 N HIS A 3 31.591 -5.364 -11.718 1.00 0.18 N ATOM 22 CA HIS A 3 31.121 -4.980 -13.036 1.00 0.13 C ATOM 23 C HIS A 3 30.635 -3.539 -13.012 1.00 0.16 C ATOM 24 O HIS A 3 29.544 -3.252 -12.514 1.00 0.31 O ATOM 25 CB HIS A 3 30.000 -5.908 -13.512 1.00 0.26 C ATOM 26 CG HIS A 3 29.661 -5.738 -14.963 1.00 0.54 C ATOM 27 ND1 HIS A 3 30.309 -6.418 -15.970 1.00 1.06 N ATOM 28 CD2 HIS A 3 28.750 -4.944 -15.579 1.00 1.49 C ATOM 29 CE1 HIS A 3 29.813 -6.055 -17.136 1.00 1.02 C ATOM 30 NE2 HIS A 3 28.867 -5.161 -16.929 1.00 1.41 N ATOM 0 H HIS A 3 31.111 -4.900 -10.947 1.00 0.18 H new ATOM 0 HA HIS A 3 31.952 -5.068 -13.736 1.00 0.13 H new ATOM 0 HB2 HIS A 3 30.295 -6.942 -13.334 1.00 0.26 H new ATOM 0 HB3 HIS A 3 29.107 -5.724 -12.914 1.00 0.26 H new ATOM 0 HD2 HIS A 3 28.061 -4.267 -15.097 1.00 1.49 H new ATOM 0 HE1 HIS A 3 30.129 -6.428 -18.099 1.00 1.02 H new ATOM 0 HE2 HIS A 3 28.313 -4.705 -17.654 1.00 1.41 H new ATOM 39 N MET A 4 31.451 -2.640 -13.541 1.00 0.20 N ATOM 40 CA MET A 4 31.109 -1.227 -13.580 1.00 0.25 C ATOM 41 C MET A 4 29.923 -0.986 -14.501 1.00 0.20 C ATOM 42 O MET A 4 29.820 -1.585 -15.576 1.00 0.30 O ATOM 43 CB MET A 4 32.308 -0.393 -14.036 1.00 0.37 C ATOM 44 CG MET A 4 33.493 -0.460 -13.084 1.00 0.43 C ATOM 45 SD MET A 4 34.614 0.943 -13.260 1.00 0.28 S ATOM 46 CE MET A 4 33.641 2.241 -12.498 1.00 0.33 C ATOM 0 H MET A 4 32.358 -2.865 -13.950 1.00 0.20 H new ATOM 0 HA MET A 4 30.834 -0.919 -12.571 1.00 0.25 H new ATOM 0 HB2 MET A 4 32.624 -0.735 -15.021 1.00 0.37 H new ATOM 0 HB3 MET A 4 31.997 0.646 -14.144 1.00 0.37 H new ATOM 0 HG2 MET A 4 33.127 -0.500 -12.058 1.00 0.43 H new ATOM 0 HG3 MET A 4 34.044 -1.384 -13.262 1.00 0.43 H new ATOM 0 HE1 MET A 4 34.293 3.069 -12.220 1.00 0.33 H new ATOM 0 HE2 MET A 4 32.888 2.593 -13.203 1.00 0.33 H new ATOM 0 HE3 MET A 4 33.150 1.852 -11.606 1.00 0.33 H new ATOM 56 N THR A 5 29.026 -0.121 -14.064 1.00 0.32 N ATOM 57 CA THR A 5 27.838 0.208 -14.822 1.00 0.34 C ATOM 58 C THR A 5 27.129 1.393 -14.171 1.00 0.34 C ATOM 59 O THR A 5 27.467 1.776 -13.049 1.00 0.37 O ATOM 60 CB THR A 5 26.884 -1.009 -14.912 1.00 0.36 C ATOM 61 OG1 THR A 5 25.817 -0.744 -15.829 1.00 0.33 O ATOM 62 CG2 THR A 5 26.316 -1.364 -13.543 1.00 0.54 C ATOM 0 H THR A 5 29.103 0.372 -13.174 1.00 0.32 H new ATOM 0 HA THR A 5 28.133 0.477 -15.836 1.00 0.34 H new ATOM 0 HB THR A 5 27.462 -1.859 -15.276 1.00 0.36 H new ATOM 0 HG1 THR A 5 25.225 -1.523 -15.875 1.00 0.33 H new ATOM 0 HG21 THR A 5 25.650 -2.222 -13.637 1.00 0.54 H new ATOM 0 HG22 THR A 5 27.132 -1.611 -12.863 1.00 0.54 H new ATOM 0 HG23 THR A 5 25.760 -0.514 -13.148 1.00 0.54 H new ATOM 70 N GLU A 6 26.163 1.971 -14.873 1.00 0.35 N ATOM 71 CA GLU A 6 25.417 3.112 -14.361 1.00 0.39 C ATOM 72 C GLU A 6 24.586 2.705 -13.149 1.00 0.32 C ATOM 73 O GLU A 6 24.029 1.607 -13.112 1.00 0.30 O ATOM 74 CB GLU A 6 24.509 3.687 -15.450 1.00 0.52 C ATOM 75 CG GLU A 6 23.909 5.035 -15.095 1.00 0.53 C ATOM 76 CD GLU A 6 22.779 5.432 -16.019 1.00 1.16 C ATOM 77 OE1 GLU A 6 23.051 5.760 -17.192 1.00 1.64 O ATOM 78 OE2 GLU A 6 21.613 5.416 -15.576 1.00 1.31 O1- ATOM 0 H GLU A 6 25.877 1.666 -15.803 1.00 0.35 H new ATOM 0 HA GLU A 6 26.129 3.879 -14.056 1.00 0.39 H new ATOM 0 HB2 GLU A 6 25.081 3.785 -16.373 1.00 0.52 H new ATOM 0 HB3 GLU A 6 23.702 2.981 -15.648 1.00 0.52 H new ATOM 0 HG2 GLU A 6 23.541 5.006 -14.069 1.00 0.53 H new ATOM 0 HG3 GLU A 6 24.688 5.796 -15.133 1.00 0.53 H new ATOM 85 N GLN A 7 24.521 3.593 -12.161 1.00 0.30 N ATOM 86 CA GLN A 7 23.767 3.347 -10.938 1.00 0.25 C ATOM 87 C GLN A 7 22.263 3.438 -11.194 1.00 0.23 C ATOM 88 O GLN A 7 21.736 4.519 -11.458 1.00 0.29 O ATOM 89 CB GLN A 7 24.175 4.358 -9.865 1.00 0.29 C ATOM 90 CG GLN A 7 23.454 4.176 -8.538 1.00 0.42 C ATOM 91 CD GLN A 7 23.237 5.486 -7.806 1.00 1.19 C ATOM 92 OE1 GLN A 7 24.076 5.919 -7.015 1.00 1.46 O ATOM 93 NE2 GLN A 7 22.110 6.123 -8.064 1.00 1.77 N ATOM 0 H GLN A 7 24.988 4.500 -12.186 1.00 0.30 H new ATOM 0 HA GLN A 7 23.994 2.339 -10.592 1.00 0.25 H new ATOM 0 HB2 GLN A 7 25.249 4.280 -9.697 1.00 0.29 H new ATOM 0 HB3 GLN A 7 23.982 5.364 -10.237 1.00 0.29 H new ATOM 0 HG2 GLN A 7 22.490 3.699 -8.715 1.00 0.42 H new ATOM 0 HG3 GLN A 7 24.031 3.502 -7.905 1.00 0.42 H new ATOM 0 HE21 GLN A 7 21.442 5.729 -8.726 1.00 1.77 H new ATOM 0 HE22 GLN A 7 21.907 7.009 -7.601 1.00 1.77 H new ATOM 102 N PRO A 8 21.557 2.300 -11.127 1.00 0.18 N ATOM 103 CA PRO A 8 20.119 2.246 -11.346 1.00 0.17 C ATOM 104 C PRO A 8 19.341 2.331 -10.032 1.00 0.19 C ATOM 105 O PRO A 8 19.923 2.650 -8.989 1.00 0.25 O ATOM 106 CB PRO A 8 19.968 0.868 -11.988 1.00 0.18 C ATOM 107 CG PRO A 8 21.004 0.024 -11.315 1.00 0.20 C ATOM 108 CD PRO A 8 22.100 0.958 -10.846 1.00 0.18 C ATOM 0 HA PRO A 8 19.732 3.070 -11.946 1.00 0.17 H new ATOM 0 HB2 PRO A 8 18.967 0.466 -11.833 1.00 0.18 H new ATOM 0 HB3 PRO A 8 20.131 0.912 -13.065 1.00 0.18 H new ATOM 0 HG2 PRO A 8 20.573 -0.518 -10.473 1.00 0.20 H new ATOM 0 HG3 PRO A 8 21.401 -0.721 -12.004 1.00 0.20 H new ATOM 0 HD2 PRO A 8 22.313 0.826 -9.785 1.00 0.18 H new ATOM 0 HD3 PRO A 8 23.033 0.783 -11.382 1.00 0.18 H new ATOM 116 N LYS A 9 18.028 2.091 -10.091 1.00 0.17 N ATOM 117 CA LYS A 9 17.190 2.103 -8.892 1.00 0.20 C ATOM 118 C LYS A 9 17.791 1.165 -7.838 1.00 0.23 C ATOM 119 O LYS A 9 18.076 0.002 -8.123 1.00 0.30 O ATOM 120 CB LYS A 9 15.741 1.703 -9.230 1.00 0.14 C ATOM 121 CG LYS A 9 15.594 0.329 -9.877 1.00 0.33 C ATOM 122 CD LYS A 9 14.142 0.025 -10.224 1.00 0.76 C ATOM 123 CE LYS A 9 13.724 0.650 -11.549 1.00 1.45 C ATOM 124 NZ LYS A 9 13.868 -0.302 -12.687 1.00 2.23 N1+ ATOM 0 H LYS A 9 17.525 1.887 -10.954 1.00 0.17 H new ATOM 0 HA LYS A 9 17.162 3.115 -8.487 1.00 0.20 H new ATOM 0 HB2 LYS A 9 15.150 1.724 -8.315 1.00 0.14 H new ATOM 0 HB3 LYS A 9 15.318 2.452 -9.900 1.00 0.14 H new ATOM 0 HG2 LYS A 9 16.202 0.285 -10.781 1.00 0.33 H new ATOM 0 HG3 LYS A 9 15.975 -0.435 -9.200 1.00 0.33 H new ATOM 0 HD2 LYS A 9 14.000 -1.055 -10.273 1.00 0.76 H new ATOM 0 HD3 LYS A 9 13.495 0.396 -9.429 1.00 0.76 H new ATOM 0 HE2 LYS A 9 12.688 0.981 -11.482 1.00 1.45 H new ATOM 0 HE3 LYS A 9 14.330 1.536 -11.739 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 13.573 0.164 -13.569 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 14.861 -0.599 -12.768 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 13.270 -1.136 -12.519 1.00 2.23 H new ATOM 138 N THR A 10 17.993 1.679 -6.633 1.00 0.30 N ATOM 139 CA THR A 10 18.603 0.898 -5.571 1.00 0.36 C ATOM 140 C THR A 10 17.618 -0.098 -4.952 1.00 0.30 C ATOM 141 O THR A 10 16.397 0.091 -5.004 1.00 0.27 O ATOM 142 CB THR A 10 19.199 1.814 -4.475 1.00 0.49 C ATOM 143 OG1 THR A 10 20.151 1.092 -3.689 1.00 0.62 O ATOM 144 CG2 THR A 10 18.121 2.380 -3.566 1.00 0.60 C ATOM 0 H THR A 10 17.743 2.632 -6.368 1.00 0.30 H new ATOM 0 HA THR A 10 19.412 0.326 -6.026 1.00 0.36 H new ATOM 0 HB THR A 10 19.691 2.645 -4.980 1.00 0.49 H new ATOM 0 HG1 THR A 10 20.522 1.683 -3.001 1.00 0.62 H new ATOM 0 HG21 THR A 10 18.580 3.017 -2.810 1.00 0.60 H new ATOM 0 HG22 THR A 10 17.418 2.967 -4.157 1.00 0.60 H new ATOM 0 HG23 THR A 10 17.591 1.562 -3.078 1.00 0.60 H new ATOM 152 N ARG A 11 18.161 -1.156 -4.367 1.00 0.30 N ATOM 153 CA ARG A 11 17.348 -2.190 -3.743 1.00 0.26 C ATOM 154 C ARG A 11 17.754 -2.378 -2.284 1.00 0.21 C ATOM 155 O ARG A 11 18.930 -2.252 -1.935 1.00 0.22 O ATOM 156 CB ARG A 11 17.475 -3.508 -4.517 1.00 0.32 C ATOM 157 CG ARG A 11 18.911 -3.902 -4.830 1.00 0.40 C ATOM 158 CD ARG A 11 18.975 -5.202 -5.615 1.00 0.55 C ATOM 159 NE ARG A 11 20.347 -5.560 -5.974 1.00 0.68 N ATOM 160 CZ ARG A 11 20.669 -6.594 -6.753 1.00 1.07 C ATOM 161 NH1 ARG A 11 19.717 -7.375 -7.255 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 21.944 -6.845 -7.033 1.00 1.17 N ATOM 0 H ARG A 11 19.166 -1.321 -4.311 1.00 0.30 H new ATOM 0 HA ARG A 11 16.304 -1.877 -3.769 1.00 0.26 H new ATOM 0 HB2 ARG A 11 17.008 -4.305 -3.938 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.919 -3.425 -5.451 1.00 0.32 H new ATOM 0 HG2 ARG A 11 19.391 -3.107 -5.401 1.00 0.40 H new ATOM 0 HG3 ARG A 11 19.470 -4.009 -3.901 1.00 0.40 H new ATOM 0 HD2 ARG A 11 18.534 -6.004 -5.023 1.00 0.55 H new ATOM 0 HD3 ARG A 11 18.376 -5.108 -6.521 1.00 0.55 H new ATOM 0 HE ARG A 11 21.104 -4.984 -5.606 1.00 0.68 H new ATOM 0 HH11 ARG A 11 18.737 -7.184 -7.045 1.00 1.36 H new ATOM 0 HH12 ARG A 11 19.966 -8.165 -7.850 1.00 1.36 H new ATOM 0 HH21 ARG A 11 22.677 -6.247 -6.652 1.00 1.17 H new ATOM 0 HH22 ARG A 11 22.189 -7.636 -7.629 1.00 1.17 H new ATOM 176 N VAL A 12 16.781 -2.668 -1.435 1.00 0.16 N ATOM 177 CA VAL A 12 17.036 -2.863 -0.017 1.00 0.12 C ATOM 178 C VAL A 12 16.384 -4.151 0.484 1.00 0.14 C ATOM 179 O VAL A 12 15.285 -4.509 0.058 1.00 0.18 O ATOM 180 CB VAL A 12 16.519 -1.661 0.811 1.00 0.09 C ATOM 181 CG1 VAL A 12 14.996 -1.590 0.792 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.039 -1.721 2.239 1.00 0.12 C ATOM 0 H VAL A 12 15.803 -2.774 -1.705 1.00 0.16 H new ATOM 0 HA VAL A 12 18.115 -2.941 0.113 1.00 0.12 H new ATOM 0 HB VAL A 12 16.901 -0.751 0.348 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.664 -0.736 1.382 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.650 -1.478 -0.235 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.584 -2.506 1.216 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.662 -0.866 2.800 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.700 -2.643 2.711 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.129 -1.697 2.231 1.00 0.12 H new ATOM 192 N SER A 13 17.079 -4.855 1.360 1.00 0.14 N ATOM 193 CA SER A 13 16.566 -6.085 1.928 1.00 0.17 C ATOM 194 C SER A 13 15.869 -5.790 3.253 1.00 0.12 C ATOM 195 O SER A 13 16.472 -5.215 4.165 1.00 0.15 O ATOM 196 CB SER A 13 17.709 -7.082 2.134 1.00 0.25 C ATOM 197 OG SER A 13 18.435 -7.277 0.927 1.00 0.56 O ATOM 0 H SER A 13 18.006 -4.592 1.694 1.00 0.14 H new ATOM 0 HA SER A 13 15.842 -6.524 1.242 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.380 -6.717 2.912 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.308 -8.035 2.480 1.00 0.25 H new ATOM 0 HG SER A 13 19.162 -7.916 1.082 1.00 0.56 H new ATOM 203 N VAL A 14 14.597 -6.156 3.352 1.00 0.06 N ATOM 204 CA VAL A 14 13.829 -5.924 4.570 1.00 0.08 C ATOM 205 C VAL A 14 13.153 -7.207 5.044 1.00 0.08 C ATOM 206 O VAL A 14 12.733 -8.029 4.232 1.00 0.12 O ATOM 207 CB VAL A 14 12.761 -4.825 4.380 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.409 -3.447 4.339 1.00 0.10 C ATOM 209 CG2 VAL A 14 11.938 -5.068 3.121 1.00 0.09 C ATOM 0 H VAL A 14 14.075 -6.614 2.605 1.00 0.06 H new ATOM 0 HA VAL A 14 14.539 -5.588 5.326 1.00 0.08 H new ATOM 0 HB VAL A 14 12.086 -4.864 5.235 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.639 -2.687 4.204 1.00 0.10 H new ATOM 0 HG12 VAL A 14 13.938 -3.266 5.274 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.114 -3.401 3.509 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.195 -4.278 3.014 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.595 -5.068 2.251 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.435 -6.032 3.196 1.00 0.09 H new ATOM 219 N ARG A 15 13.043 -7.365 6.354 1.00 0.05 N ATOM 220 CA ARG A 15 12.438 -8.559 6.930 1.00 0.05 C ATOM 221 C ARG A 15 10.968 -8.333 7.276 1.00 0.04 C ATOM 222 O ARG A 15 10.628 -7.425 8.042 1.00 0.07 O ATOM 223 CB ARG A 15 13.204 -8.982 8.184 1.00 0.06 C ATOM 224 CG ARG A 15 12.661 -10.243 8.832 1.00 0.06 C ATOM 225 CD ARG A 15 13.333 -10.515 10.166 1.00 0.11 C ATOM 226 NE ARG A 15 14.773 -10.722 10.028 1.00 0.16 N ATOM 227 CZ ARG A 15 15.697 -10.058 10.723 1.00 0.20 C ATOM 228 NH1 ARG A 15 15.337 -9.145 11.621 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 16.985 -10.307 10.522 1.00 0.26 N ATOM 0 H ARG A 15 13.365 -6.682 7.040 1.00 0.05 H new ATOM 0 HA ARG A 15 12.491 -9.351 6.183 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.251 -9.139 7.924 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.174 -8.169 8.909 1.00 0.06 H new ATOM 0 HG2 ARG A 15 11.585 -10.144 8.978 1.00 0.06 H new ATOM 0 HG3 ARG A 15 12.815 -11.092 8.166 1.00 0.06 H new ATOM 0 HD2 ARG A 15 13.151 -9.678 10.840 1.00 0.11 H new ATOM 0 HD3 ARG A 15 12.883 -11.396 10.624 1.00 0.11 H new ATOM 0 HE ARG A 15 15.092 -11.420 9.356 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.349 -8.949 11.781 1.00 0.20 H new ATOM 0 HH12 ARG A 15 16.049 -8.641 12.149 1.00 0.20 H new ATOM 0 HH21 ARG A 15 17.268 -11.006 9.836 1.00 0.26 H new ATOM 0 HH22 ARG A 15 17.692 -9.799 11.054 1.00 0.26 H new ATOM 243 N ILE A 16 10.100 -9.160 6.712 1.00 0.03 N ATOM 244 CA ILE A 16 8.669 -9.076 6.967 1.00 0.04 C ATOM 245 C ILE A 16 8.129 -10.476 7.224 1.00 0.04 C ATOM 246 O ILE A 16 8.279 -11.365 6.381 1.00 0.04 O ATOM 247 CB ILE A 16 7.885 -8.449 5.791 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.700 -7.343 5.117 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.552 -7.902 6.288 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.127 -6.881 3.797 1.00 0.07 C ATOM 0 H ILE A 16 10.366 -9.905 6.068 1.00 0.03 H new ATOM 0 HA ILE A 16 8.532 -8.430 7.834 1.00 0.04 H new ATOM 0 HB ILE A 16 7.696 -9.225 5.049 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.766 -6.490 5.792 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.717 -7.701 4.956 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.006 -7.462 5.454 1.00 0.06 H new ATOM 0 HG22 ILE A 16 5.964 -8.712 6.720 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.731 -7.140 7.046 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.759 -6.097 3.381 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.087 -7.721 3.104 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.121 -6.491 3.953 1.00 0.07 H new ATOM 262 N TYR A 17 7.526 -10.673 8.395 1.00 0.08 N ATOM 263 CA TYR A 17 6.969 -11.969 8.785 1.00 0.11 C ATOM 264 C TYR A 17 8.061 -13.041 8.853 1.00 0.19 C ATOM 265 O TYR A 17 7.803 -14.227 8.643 1.00 0.56 O ATOM 266 CB TYR A 17 5.861 -12.391 7.814 1.00 0.04 C ATOM 267 CG TYR A 17 4.706 -13.116 8.477 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.865 -12.456 9.366 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.451 -14.454 8.201 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.804 -13.113 9.966 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.392 -15.115 8.797 1.00 0.12 C ATOM 272 CZ TYR A 17 2.571 -14.442 9.678 1.00 0.20 C ATOM 273 OH TYR A 17 1.516 -15.101 10.277 1.00 0.25 O ATOM 0 H TYR A 17 7.410 -9.943 9.098 1.00 0.08 H new ATOM 0 HA TYR A 17 6.538 -11.865 9.781 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.478 -11.505 7.308 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.290 -13.036 7.047 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.042 -11.415 9.592 1.00 0.18 H new ATOM 0 HD2 TYR A 17 5.089 -14.986 7.511 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.161 -12.587 10.657 1.00 0.23 H new ATOM 0 HE2 TYR A 17 3.208 -16.155 8.573 1.00 0.12 H new ATOM 0 HH TYR A 17 1.491 -16.030 9.965 1.00 0.25 H new ATOM 283 N GLY A 18 9.283 -12.613 9.149 1.00 0.18 N ATOM 284 CA GLY A 18 10.393 -13.540 9.260 1.00 0.13 C ATOM 285 C GLY A 18 11.305 -13.527 8.047 1.00 0.05 C ATOM 286 O GLY A 18 12.520 -13.390 8.178 1.00 0.11 O ATOM 0 H GLY A 18 9.525 -11.636 9.315 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.976 -13.294 10.148 1.00 0.13 H new ATOM 0 HA3 GLY A 18 10.004 -14.548 9.403 1.00 0.13 H new ATOM 290 N GLN A 19 10.720 -13.652 6.863 1.00 0.05 N ATOM 291 CA GLN A 19 11.495 -13.678 5.627 1.00 0.10 C ATOM 292 C GLN A 19 11.934 -12.282 5.222 1.00 0.05 C ATOM 293 O GLN A 19 11.239 -11.300 5.478 1.00 0.08 O ATOM 294 CB GLN A 19 10.684 -14.301 4.489 1.00 0.19 C ATOM 295 CG GLN A 19 10.532 -15.811 4.581 1.00 0.14 C ATOM 296 CD GLN A 19 9.502 -16.243 5.609 1.00 0.49 C ATOM 297 OE1 GLN A 19 9.648 -17.287 6.244 1.00 0.68 O ATOM 298 NE2 GLN A 19 8.446 -15.457 5.768 1.00 0.67 N ATOM 0 H GLN A 19 9.712 -13.737 6.731 1.00 0.05 H new ATOM 0 HA GLN A 19 12.380 -14.286 5.814 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.693 -13.848 4.475 1.00 0.19 H new ATOM 0 HB3 GLN A 19 11.161 -14.053 3.541 1.00 0.19 H new ATOM 0 HG2 GLN A 19 10.248 -16.202 3.604 1.00 0.14 H new ATOM 0 HG3 GLN A 19 11.496 -16.253 4.833 1.00 0.14 H new ATOM 0 HE21 GLN A 19 8.362 -14.599 5.222 1.00 0.67 H new ATOM 0 HE22 GLN A 19 7.718 -15.710 6.436 1.00 0.67 H new ATOM 307 N ASP A 20 13.092 -12.201 4.587 1.00 0.12 N ATOM 308 CA ASP A 20 13.623 -10.931 4.125 1.00 0.10 C ATOM 309 C ASP A 20 13.571 -10.881 2.600 1.00 0.09 C ATOM 310 O ASP A 20 13.895 -11.859 1.922 1.00 0.10 O ATOM 311 CB ASP A 20 15.050 -10.705 4.640 1.00 0.17 C ATOM 312 CG ASP A 20 16.086 -11.533 3.909 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.207 -12.743 4.202 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.797 -10.972 3.049 1.00 0.55 O ATOM 0 H ASP A 20 13.684 -13.005 4.379 1.00 0.12 H new ATOM 0 HA ASP A 20 13.008 -10.125 4.525 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.302 -9.649 4.541 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.088 -10.943 5.703 1.00 0.17 H new ATOM 319 N TYR A 21 13.133 -9.748 2.069 1.00 0.07 N ATOM 320 CA TYR A 21 13.008 -9.577 0.627 1.00 0.07 C ATOM 321 C TYR A 21 13.757 -8.342 0.158 1.00 0.07 C ATOM 322 O TYR A 21 13.886 -7.366 0.899 1.00 0.16 O ATOM 323 CB TYR A 21 11.535 -9.448 0.229 1.00 0.05 C ATOM 324 CG TYR A 21 10.624 -10.418 0.945 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.512 -11.736 0.525 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.883 -10.014 2.046 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.684 -12.624 1.181 1.00 0.17 C ATOM 328 CE2 TYR A 21 9.054 -10.895 2.707 1.00 0.08 C ATOM 329 CZ TYR A 21 8.958 -12.199 2.274 1.00 0.12 C ATOM 330 OH TYR A 21 8.129 -13.079 2.932 1.00 0.15 O ATOM 0 H TYR A 21 12.858 -8.932 2.616 1.00 0.07 H new ATOM 0 HA TYR A 21 13.440 -10.458 0.152 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.201 -8.431 0.434 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.443 -9.604 -0.846 1.00 0.05 H new ATOM 0 HD1 TYR A 21 11.082 -12.072 -0.329 1.00 0.15 H new ATOM 0 HD2 TYR A 21 9.957 -8.993 2.391 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.605 -13.646 0.840 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.482 -10.564 3.561 1.00 0.08 H new ATOM 0 HH TYR A 21 7.692 -12.620 3.680 1.00 0.15 H new ATOM 340 N THR A 22 14.254 -8.396 -1.069 1.00 0.19 N ATOM 341 CA THR A 22 14.974 -7.282 -1.651 1.00 0.20 C ATOM 342 C THR A 22 14.040 -6.460 -2.532 1.00 0.21 C ATOM 343 O THR A 22 13.766 -6.820 -3.677 1.00 0.38 O ATOM 344 CB THR A 22 16.173 -7.768 -2.483 1.00 0.25 C ATOM 345 OG1 THR A 22 16.536 -9.092 -2.077 1.00 0.19 O ATOM 346 CG2 THR A 22 17.362 -6.835 -2.314 1.00 0.32 C ATOM 0 H THR A 22 14.169 -9.207 -1.681 1.00 0.19 H new ATOM 0 HA THR A 22 15.349 -6.662 -0.837 1.00 0.20 H new ATOM 0 HB THR A 22 15.885 -7.773 -3.534 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.299 -9.400 -2.610 1.00 0.19 H new ATOM 0 HG21 THR A 22 18.198 -7.199 -2.912 1.00 0.32 H new ATOM 0 HG22 THR A 22 17.088 -5.833 -2.645 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.653 -6.803 -1.264 1.00 0.32 H new ATOM 354 N ILE A 23 13.547 -5.363 -1.988 1.00 0.16 N ATOM 355 CA ILE A 23 12.635 -4.495 -2.714 1.00 0.16 C ATOM 356 C ILE A 23 13.344 -3.230 -3.173 1.00 0.15 C ATOM 357 O ILE A 23 14.510 -3.013 -2.856 1.00 0.13 O ATOM 358 CB ILE A 23 11.408 -4.111 -1.861 1.00 0.17 C ATOM 359 CG1 ILE A 23 11.848 -3.398 -0.576 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.583 -5.350 -1.536 1.00 0.31 C ATOM 361 CD1 ILE A 23 10.726 -2.694 0.147 1.00 0.06 C ATOM 0 H ILE A 23 13.763 -5.050 -1.042 1.00 0.16 H new ATOM 0 HA ILE A 23 12.289 -5.055 -3.583 1.00 0.16 H new ATOM 0 HB ILE A 23 10.786 -3.424 -2.434 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.299 -4.128 0.096 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.621 -2.670 -0.822 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.720 -5.065 -0.934 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.242 -5.813 -2.462 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.196 -6.059 -0.980 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.116 -2.214 1.045 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.289 -1.939 -0.507 1.00 0.06 H new ATOM 0 HD13 ILE A 23 9.962 -3.419 0.426 1.00 0.06 H new ATOM 373 N VAL A 24 12.636 -2.396 -3.914 1.00 0.16 N ATOM 374 CA VAL A 24 13.206 -1.156 -4.412 1.00 0.15 C ATOM 375 C VAL A 24 13.002 -0.032 -3.402 1.00 0.15 C ATOM 376 O VAL A 24 11.879 0.229 -2.974 1.00 0.15 O ATOM 377 CB VAL A 24 12.580 -0.748 -5.763 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.270 0.488 -6.330 1.00 0.17 C ATOM 379 CG2 VAL A 24 12.645 -1.901 -6.752 1.00 0.18 C ATOM 0 H VAL A 24 11.665 -2.555 -4.184 1.00 0.16 H new ATOM 0 HA VAL A 24 14.272 -1.325 -4.561 1.00 0.15 H new ATOM 0 HB VAL A 24 11.532 -0.501 -5.592 1.00 0.17 H new ATOM 0 HG11 VAL A 24 12.812 0.756 -7.282 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.164 1.317 -5.630 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.328 0.276 -6.484 1.00 0.17 H new ATOM 0 HG21 VAL A 24 12.199 -1.594 -7.698 1.00 0.18 H new ATOM 0 HG22 VAL A 24 13.685 -2.182 -6.915 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.097 -2.754 -6.352 1.00 0.18 H new ATOM 389 N GLY A 25 14.085 0.627 -3.022 1.00 0.14 N ATOM 390 CA GLY A 25 13.990 1.712 -2.068 1.00 0.13 C ATOM 391 C GLY A 25 14.316 3.042 -2.703 1.00 0.11 C ATOM 392 O GLY A 25 15.453 3.498 -2.652 1.00 0.08 O ATOM 0 H GLY A 25 15.028 0.430 -3.357 1.00 0.14 H new ATOM 0 HA2 GLY A 25 12.983 1.744 -1.652 1.00 0.13 H new ATOM 0 HA3 GLY A 25 14.672 1.528 -1.238 1.00 0.13 H new ATOM 396 N ALA A 26 13.315 3.676 -3.299 1.00 0.15 N ATOM 397 CA ALA A 26 13.516 4.957 -3.970 1.00 0.17 C ATOM 398 C ALA A 26 13.466 6.131 -2.989 1.00 0.12 C ATOM 399 O ALA A 26 13.411 7.291 -3.401 1.00 0.19 O ATOM 400 CB ALA A 26 12.490 5.138 -5.077 1.00 0.27 C ATOM 0 H ALA A 26 12.357 3.327 -3.333 1.00 0.15 H new ATOM 0 HA ALA A 26 14.514 4.947 -4.409 1.00 0.17 H new ATOM 0 HB1 ALA A 26 12.651 6.097 -5.569 1.00 0.27 H new ATOM 0 HB2 ALA A 26 12.595 4.334 -5.806 1.00 0.27 H new ATOM 0 HB3 ALA A 26 11.487 5.113 -4.651 1.00 0.27 H new ATOM 406 N GLU A 27 13.499 5.829 -1.702 1.00 0.11 N ATOM 407 CA GLU A 27 13.471 6.865 -0.676 1.00 0.05 C ATOM 408 C GLU A 27 14.652 6.685 0.273 1.00 0.10 C ATOM 409 O GLU A 27 15.514 5.835 0.043 1.00 0.20 O ATOM 410 CB GLU A 27 12.159 6.835 0.122 1.00 0.11 C ATOM 411 CG GLU A 27 11.082 5.931 -0.454 1.00 0.78 C ATOM 412 CD GLU A 27 9.874 5.846 0.453 1.00 1.22 C ATOM 413 OE1 GLU A 27 10.018 5.360 1.596 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 8.790 6.292 0.047 1.00 1.46 O ATOM 0 H GLU A 27 13.545 4.877 -1.340 1.00 0.11 H new ATOM 0 HA GLU A 27 13.540 7.831 -1.175 1.00 0.05 H new ATOM 0 HB2 GLU A 27 12.377 6.513 1.140 1.00 0.11 H new ATOM 0 HB3 GLU A 27 11.766 7.850 0.186 1.00 0.11 H new ATOM 0 HG2 GLU A 27 10.777 6.306 -1.431 1.00 0.78 H new ATOM 0 HG3 GLU A 27 11.491 4.933 -0.609 1.00 0.78 H new ATOM 421 N SER A 28 14.686 7.487 1.329 1.00 0.11 N ATOM 422 CA SER A 28 15.749 7.418 2.322 1.00 0.17 C ATOM 423 C SER A 28 15.748 6.060 3.034 1.00 0.18 C ATOM 424 O SER A 28 14.689 5.460 3.226 1.00 0.15 O ATOM 425 CB SER A 28 15.560 8.546 3.335 1.00 0.18 C ATOM 426 OG SER A 28 14.519 9.421 2.925 1.00 0.26 O ATOM 0 H SER A 28 13.982 8.200 1.521 1.00 0.11 H new ATOM 0 HA SER A 28 16.710 7.530 1.821 1.00 0.17 H new ATOM 0 HB2 SER A 28 15.325 8.127 4.313 1.00 0.18 H new ATOM 0 HB3 SER A 28 16.490 9.104 3.442 1.00 0.18 H new ATOM 0 HG SER A 28 14.412 10.135 3.587 1.00 0.26 H new ATOM 432 N PRO A 29 16.933 5.560 3.426 1.00 0.23 N ATOM 433 CA PRO A 29 17.077 4.271 4.113 1.00 0.26 C ATOM 434 C PRO A 29 16.163 4.137 5.327 1.00 0.28 C ATOM 435 O PRO A 29 15.557 3.090 5.542 1.00 0.34 O ATOM 436 CB PRO A 29 18.553 4.236 4.544 1.00 0.31 C ATOM 437 CG PRO A 29 19.079 5.610 4.304 1.00 0.31 C ATOM 438 CD PRO A 29 18.235 6.198 3.212 1.00 0.25 C ATOM 0 HA PRO A 29 16.795 3.446 3.459 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.647 3.959 5.594 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.111 3.498 3.968 1.00 0.31 H new ATOM 0 HG2 PRO A 29 19.019 6.213 5.210 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.128 5.579 4.011 1.00 0.31 H new ATOM 0 HD2 PRO A 29 18.171 7.283 3.291 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.638 5.973 2.224 1.00 0.25 H new ATOM 446 N ALA A 30 16.056 5.205 6.111 1.00 0.27 N ATOM 447 CA ALA A 30 15.210 5.194 7.300 1.00 0.30 C ATOM 448 C ALA A 30 13.734 5.179 6.918 1.00 0.18 C ATOM 449 O ALA A 30 12.904 4.612 7.624 1.00 0.15 O ATOM 450 CB ALA A 30 15.514 6.394 8.180 1.00 0.41 C ATOM 0 H ALA A 30 16.542 6.086 5.946 1.00 0.27 H new ATOM 0 HA ALA A 30 15.427 4.285 7.861 1.00 0.30 H new ATOM 0 HB1 ALA A 30 14.874 6.370 9.062 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.559 6.363 8.489 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.328 7.311 7.622 1.00 0.41 H new ATOM 456 N HIS A 31 13.418 5.792 5.783 1.00 0.13 N ATOM 457 CA HIS A 31 12.042 5.861 5.297 1.00 0.10 C ATOM 458 C HIS A 31 11.582 4.479 4.852 1.00 0.09 C ATOM 459 O HIS A 31 10.565 3.971 5.321 1.00 0.19 O ATOM 460 CB HIS A 31 11.941 6.845 4.125 1.00 0.21 C ATOM 461 CG HIS A 31 10.664 7.632 4.089 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.635 7.355 3.223 1.00 0.28 N ATOM 463 CD2 HIS A 31 10.280 8.723 4.788 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.671 8.239 3.389 1.00 0.41 C ATOM 465 NE2 HIS A 31 9.037 9.083 4.334 1.00 0.32 N ATOM 0 H HIS A 31 14.099 6.251 5.178 1.00 0.13 H new ATOM 0 HA HIS A 31 11.401 6.211 6.106 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.780 7.539 4.175 1.00 0.21 H new ATOM 0 HB3 HIS A 31 12.040 6.291 3.191 1.00 0.21 H new ATOM 0 HD2 HIS A 31 10.847 9.220 5.561 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.739 8.267 2.843 1.00 0.41 H new ATOM 0 HE2 HIS A 31 8.487 9.873 4.671 1.00 0.32 H new ATOM 474 N ILE A 32 12.364 3.866 3.970 1.00 0.08 N ATOM 475 CA ILE A 32 12.056 2.531 3.445 1.00 0.20 C ATOM 476 C ILE A 32 12.170 1.459 4.529 1.00 0.27 C ATOM 477 O ILE A 32 11.698 0.334 4.363 1.00 0.36 O ATOM 478 CB ILE A 32 12.969 2.154 2.251 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.441 2.045 2.698 1.00 0.25 C ATOM 480 CG2 ILE A 32 12.801 3.172 1.130 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.429 1.819 1.571 1.00 0.30 C ATOM 0 H ILE A 32 13.223 4.272 3.599 1.00 0.08 H new ATOM 0 HA ILE A 32 11.024 2.572 3.095 1.00 0.20 H new ATOM 0 HB ILE A 32 12.672 1.176 1.873 1.00 0.23 H new ATOM 0 HG12 ILE A 32 14.715 2.959 3.226 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.530 1.226 3.411 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.445 2.902 0.293 1.00 0.18 H new ATOM 0 HG22 ILE A 32 11.762 3.181 0.800 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.075 4.162 1.494 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.438 1.755 1.979 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.187 0.890 1.055 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.374 2.649 0.867 1.00 0.30 H new ATOM 493 N ARG A 33 12.788 1.816 5.644 1.00 0.25 N ATOM 494 CA ARG A 33 12.958 0.884 6.752 1.00 0.32 C ATOM 495 C ARG A 33 11.649 0.728 7.518 1.00 0.34 C ATOM 496 O ARG A 33 11.213 -0.390 7.802 1.00 0.57 O ATOM 497 CB ARG A 33 14.059 1.356 7.703 1.00 0.34 C ATOM 498 CG ARG A 33 15.151 0.328 7.939 1.00 0.38 C ATOM 499 CD ARG A 33 15.969 0.077 6.683 1.00 0.37 C ATOM 500 NE ARG A 33 17.302 -0.430 7.000 1.00 0.36 N ATOM 501 CZ ARG A 33 17.788 -1.597 6.576 1.00 0.68 C ATOM 502 NH1 ARG A 33 17.063 -2.384 5.787 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 19.008 -1.973 6.935 1.00 0.84 N ATOM 0 H ARG A 33 13.181 2.743 5.807 1.00 0.25 H new ATOM 0 HA ARG A 33 13.249 -0.081 6.337 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.509 2.263 7.300 1.00 0.34 H new ATOM 0 HB3 ARG A 33 13.610 1.621 8.660 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.808 0.672 8.738 1.00 0.38 H new ATOM 0 HG3 ARG A 33 14.703 -0.608 8.275 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.449 -0.639 6.047 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.057 1.003 6.115 1.00 0.37 H new ATOM 0 HE ARG A 33 17.903 0.149 7.587 1.00 0.36 H new ATOM 0 HH11 ARG A 33 16.127 -2.097 5.501 1.00 1.01 H new ATOM 0 HH12 ARG A 33 17.443 -3.275 5.467 1.00 1.01 H new ATOM 0 HH21 ARG A 33 19.572 -1.370 7.534 1.00 0.84 H new ATOM 0 HH22 ARG A 33 19.382 -2.865 6.612 1.00 0.84 H new ATOM 517 N LEU A 34 11.017 1.856 7.836 1.00 0.14 N ATOM 518 CA LEU A 34 9.759 1.844 8.574 1.00 0.15 C ATOM 519 C LEU A 34 8.635 1.259 7.719 1.00 0.16 C ATOM 520 O LEU A 34 7.637 0.771 8.244 1.00 0.17 O ATOM 521 CB LEU A 34 9.395 3.256 9.060 1.00 0.13 C ATOM 522 CG LEU A 34 9.131 4.298 7.966 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.642 4.418 7.682 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.704 5.649 8.369 1.00 0.04 C ATOM 0 H LEU A 34 11.356 2.787 7.594 1.00 0.14 H new ATOM 0 HA LEU A 34 9.887 1.208 9.450 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.507 3.185 9.688 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.204 3.620 9.693 1.00 0.13 H new ATOM 0 HG LEU A 34 9.627 3.967 7.054 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.479 5.163 6.903 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.256 3.454 7.349 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.122 4.723 8.590 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.508 6.377 7.582 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.235 5.981 9.295 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.780 5.558 8.519 1.00 0.04 H new ATOM 536 N VAL A 35 8.817 1.305 6.401 1.00 0.16 N ATOM 537 CA VAL A 35 7.833 0.777 5.462 1.00 0.16 C ATOM 538 C VAL A 35 7.553 -0.696 5.743 1.00 0.13 C ATOM 539 O VAL A 35 6.398 -1.125 5.784 1.00 0.12 O ATOM 540 CB VAL A 35 8.317 0.943 4.003 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.406 0.212 3.033 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.401 2.415 3.632 1.00 0.25 C ATOM 0 H VAL A 35 9.644 1.706 5.958 1.00 0.16 H new ATOM 0 HA VAL A 35 6.912 1.345 5.595 1.00 0.16 H new ATOM 0 HB VAL A 35 9.312 0.503 3.933 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.773 0.348 2.016 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.394 -0.851 3.275 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.395 0.613 3.110 1.00 0.18 H new ATOM 0 HG21 VAL A 35 8.743 2.512 2.602 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.416 2.872 3.732 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.103 2.918 4.296 1.00 0.25 H new ATOM 552 N ALA A 36 8.612 -1.461 5.969 1.00 0.14 N ATOM 553 CA ALA A 36 8.480 -2.883 6.246 1.00 0.15 C ATOM 554 C ALA A 36 7.827 -3.123 7.603 1.00 0.12 C ATOM 555 O ALA A 36 7.017 -4.035 7.758 1.00 0.11 O ATOM 556 CB ALA A 36 9.836 -3.561 6.186 1.00 0.18 C ATOM 0 H ALA A 36 9.573 -1.119 5.966 1.00 0.14 H new ATOM 0 HA ALA A 36 7.835 -3.316 5.481 1.00 0.15 H new ATOM 0 HB1 ALA A 36 9.721 -4.624 6.395 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.264 -3.431 5.192 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.499 -3.115 6.927 1.00 0.18 H new ATOM 562 N ALA A 37 8.172 -2.290 8.579 1.00 0.13 N ATOM 563 CA ALA A 37 7.616 -2.412 9.921 1.00 0.11 C ATOM 564 C ALA A 37 6.120 -2.119 9.899 1.00 0.14 C ATOM 565 O ALA A 37 5.348 -2.670 10.688 1.00 0.20 O ATOM 566 CB ALA A 37 8.333 -1.469 10.875 1.00 0.13 C ATOM 0 H ALA A 37 8.834 -1.523 8.465 1.00 0.13 H new ATOM 0 HA ALA A 37 7.762 -3.433 10.272 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.908 -1.570 11.874 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.394 -1.719 10.905 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.212 -0.442 10.531 1.00 0.13 H new ATOM 572 N PHE A 38 5.721 -1.252 8.979 1.00 0.15 N ATOM 573 CA PHE A 38 4.326 -0.873 8.818 1.00 0.21 C ATOM 574 C PHE A 38 3.511 -2.062 8.313 1.00 0.21 C ATOM 575 O PHE A 38 2.393 -2.307 8.776 1.00 0.28 O ATOM 576 CB PHE A 38 4.223 0.295 7.828 1.00 0.26 C ATOM 577 CG PHE A 38 2.924 1.049 7.897 1.00 0.34 C ATOM 578 CD1 PHE A 38 1.798 0.588 7.230 1.00 0.35 C ATOM 579 CD2 PHE A 38 2.835 2.231 8.617 1.00 0.41 C ATOM 580 CE1 PHE A 38 0.608 1.287 7.287 1.00 0.43 C ATOM 581 CE2 PHE A 38 1.648 2.933 8.678 1.00 0.50 C ATOM 582 CZ PHE A 38 0.531 2.460 8.012 1.00 0.50 C ATOM 0 H PHE A 38 6.355 -0.793 8.325 1.00 0.15 H new ATOM 0 HA PHE A 38 3.926 -0.563 9.783 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.043 0.988 8.015 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.354 -0.088 6.816 1.00 0.26 H new ATOM 0 HD1 PHE A 38 1.853 -0.328 6.660 1.00 0.35 H new ATOM 0 HD2 PHE A 38 3.704 2.607 9.136 1.00 0.41 H new ATOM 0 HE1 PHE A 38 -0.262 0.916 6.765 1.00 0.43 H new ATOM 0 HE2 PHE A 38 1.591 3.850 9.245 1.00 0.50 H new ATOM 0 HZ PHE A 38 -0.399 3.007 8.059 1.00 0.50 H new ATOM 592 N VAL A 39 4.089 -2.801 7.373 1.00 0.16 N ATOM 593 CA VAL A 39 3.429 -3.960 6.780 1.00 0.17 C ATOM 594 C VAL A 39 3.378 -5.130 7.754 1.00 0.16 C ATOM 595 O VAL A 39 2.339 -5.772 7.903 1.00 0.18 O ATOM 596 CB VAL A 39 4.141 -4.409 5.488 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.439 -5.608 4.862 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.209 -3.254 4.503 1.00 0.15 C ATOM 0 H VAL A 39 5.021 -2.616 7.002 1.00 0.16 H new ATOM 0 HA VAL A 39 2.411 -3.653 6.540 1.00 0.17 H new ATOM 0 HB VAL A 39 5.156 -4.715 5.744 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.963 -5.902 3.953 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.440 -6.439 5.567 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.411 -5.341 4.618 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.714 -3.581 3.594 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.199 -2.924 4.259 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.763 -2.428 4.949 1.00 0.15 H new ATOM 608 N ASP A 40 4.497 -5.398 8.423 1.00 0.12 N ATOM 609 CA ASP A 40 4.567 -6.498 9.389 1.00 0.11 C ATOM 610 C ASP A 40 3.520 -6.305 10.479 1.00 0.12 C ATOM 611 O ASP A 40 2.872 -7.255 10.920 1.00 0.13 O ATOM 612 CB ASP A 40 5.962 -6.574 10.014 1.00 0.09 C ATOM 613 CG ASP A 40 6.223 -7.894 10.720 1.00 0.09 C ATOM 614 OD1 ASP A 40 5.685 -8.102 11.831 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.989 -8.721 10.177 1.00 1.14 O1- ATOM 0 H ASP A 40 5.365 -4.873 8.317 1.00 0.12 H new ATOM 0 HA ASP A 40 4.368 -7.432 8.864 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.711 -6.430 9.236 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.080 -5.757 10.726 1.00 0.09 H new ATOM 620 N ASP A 41 3.354 -5.056 10.895 1.00 0.12 N ATOM 621 CA ASP A 41 2.386 -4.700 11.924 1.00 0.13 C ATOM 622 C ASP A 41 0.960 -4.848 11.399 1.00 0.09 C ATOM 623 O ASP A 41 0.065 -5.312 12.108 1.00 0.07 O ATOM 624 CB ASP A 41 2.632 -3.263 12.392 1.00 0.16 C ATOM 625 CG ASP A 41 1.572 -2.764 13.351 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.542 -3.230 14.510 1.00 0.22 O ATOM 627 OD2 ASP A 41 0.773 -1.890 12.955 1.00 0.12 O1- ATOM 0 H ASP A 41 3.884 -4.264 10.530 1.00 0.12 H new ATOM 0 HA ASP A 41 2.510 -5.378 12.769 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.607 -3.206 12.875 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.668 -2.605 11.524 1.00 0.16 H new ATOM 632 N LYS A 42 0.761 -4.477 10.137 1.00 0.10 N ATOM 633 CA LYS A 42 -0.552 -4.562 9.511 1.00 0.11 C ATOM 634 C LYS A 42 -0.974 -6.017 9.325 1.00 0.03 C ATOM 635 O LYS A 42 -2.096 -6.392 9.653 1.00 0.07 O ATOM 636 CB LYS A 42 -0.550 -3.836 8.162 1.00 0.19 C ATOM 637 CG LYS A 42 -1.942 -3.594 7.592 1.00 0.26 C ATOM 638 CD LYS A 42 -2.296 -2.113 7.591 1.00 0.28 C ATOM 639 CE LYS A 42 -2.890 -1.661 8.917 1.00 0.31 C ATOM 640 NZ LYS A 42 -4.375 -1.678 8.891 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.495 -4.114 9.528 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.272 -4.078 10.170 1.00 0.11 H new ATOM 0 HB2 LYS A 42 -0.043 -2.878 8.276 1.00 0.19 H new ATOM 0 HB3 LYS A 42 0.029 -4.420 7.447 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -1.992 -3.982 6.574 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.677 -4.144 8.179 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.401 -1.528 7.378 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -3.007 -1.912 6.790 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -2.533 -2.311 9.716 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -2.542 -0.654 9.147 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -4.742 -1.066 9.647 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -4.710 -1.330 7.970 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -4.714 -2.650 9.038 1.00 0.38 H new ATOM 654 N MET A 43 -0.061 -6.848 8.831 1.00 0.07 N ATOM 655 CA MET A 43 -0.363 -8.261 8.609 1.00 0.12 C ATOM 656 C MET A 43 -0.457 -9.010 9.931 1.00 0.16 C ATOM 657 O MET A 43 -0.840 -10.175 9.971 1.00 0.35 O ATOM 658 CB MET A 43 0.680 -8.905 7.684 1.00 0.18 C ATOM 659 CG MET A 43 2.022 -9.173 8.343 1.00 0.16 C ATOM 660 SD MET A 43 3.299 -9.632 7.150 1.00 0.26 S ATOM 661 CE MET A 43 2.473 -10.938 6.239 1.00 0.29 C ATOM 0 H MET A 43 0.888 -6.572 8.578 1.00 0.07 H new ATOM 0 HA MET A 43 -1.333 -8.326 8.117 1.00 0.12 H new ATOM 0 HB2 MET A 43 0.280 -9.846 7.305 1.00 0.18 H new ATOM 0 HB3 MET A 43 0.835 -8.255 6.823 1.00 0.18 H new ATOM 0 HG2 MET A 43 2.340 -8.284 8.887 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.910 -9.972 9.076 1.00 0.16 H new ATOM 0 HE1 MET A 43 3.218 -11.593 5.786 1.00 0.29 H new ATOM 0 HE2 MET A 43 1.847 -11.516 6.919 1.00 0.29 H new ATOM 0 HE3 MET A 43 1.852 -10.500 5.458 1.00 0.29 H new ATOM 671 N HIS A 44 -0.126 -8.324 11.013 1.00 0.02 N ATOM 672 CA HIS A 44 -0.197 -8.919 12.336 1.00 0.04 C ATOM 673 C HIS A 44 -1.610 -8.775 12.897 1.00 0.05 C ATOM 674 O HIS A 44 -1.948 -9.377 13.913 1.00 0.20 O ATOM 675 CB HIS A 44 0.826 -8.262 13.267 1.00 0.08 C ATOM 676 CG HIS A 44 1.221 -9.107 14.443 1.00 0.11 C ATOM 677 ND1 HIS A 44 2.303 -9.960 14.423 1.00 0.27 N ATOM 678 CD2 HIS A 44 0.677 -9.223 15.676 1.00 0.29 C ATOM 679 CE1 HIS A 44 2.408 -10.561 15.593 1.00 0.38 C ATOM 680 NE2 HIS A 44 1.433 -10.130 16.375 1.00 0.40 N ATOM 0 H HIS A 44 0.194 -7.356 11.000 1.00 0.02 H new ATOM 0 HA HIS A 44 0.040 -9.980 12.263 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.720 -8.019 12.692 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.416 -7.320 13.632 1.00 0.08 H new ATOM 0 HD2 HIS A 44 -0.193 -8.698 16.043 1.00 0.29 H new ATOM 0 HE1 HIS A 44 3.163 -11.283 15.866 1.00 0.38 H new ATOM 0 HE2 HIS A 44 1.270 -10.423 17.338 1.00 0.40 H new ATOM 689 N GLU A 45 -2.435 -7.966 12.234 1.00 0.16 N ATOM 690 CA GLU A 45 -3.811 -7.758 12.675 1.00 0.15 C ATOM 691 C GLU A 45 -4.785 -8.591 11.843 1.00 0.15 C ATOM 692 O GLU A 45 -5.932 -8.801 12.240 1.00 0.17 O ATOM 693 CB GLU A 45 -4.189 -6.270 12.596 1.00 0.12 C ATOM 694 CG GLU A 45 -4.637 -5.807 11.209 1.00 0.09 C ATOM 695 CD GLU A 45 -5.121 -4.371 11.192 1.00 0.12 C ATOM 696 OE1 GLU A 45 -5.266 -3.769 12.278 1.00 0.21 O1- ATOM 697 OE2 GLU A 45 -5.361 -3.835 10.087 1.00 0.16 O ATOM 0 H GLU A 45 -2.176 -7.447 11.395 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.880 -8.082 13.713 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.990 -6.072 13.308 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -3.332 -5.672 12.906 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -3.807 -5.913 10.511 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -5.436 -6.458 10.855 1.00 0.09 H new ATOM 704 N PHE A 46 -4.322 -9.072 10.695 1.00 0.15 N ATOM 705 CA PHE A 46 -5.167 -9.864 9.813 1.00 0.14 C ATOM 706 C PHE A 46 -4.946 -11.360 10.026 1.00 0.16 C ATOM 707 O PHE A 46 -5.733 -12.182 9.552 1.00 0.17 O ATOM 708 CB PHE A 46 -4.907 -9.491 8.353 1.00 0.14 C ATOM 709 CG PHE A 46 -5.475 -8.156 7.961 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.840 -7.993 7.795 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.646 -7.066 7.759 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.367 -6.768 7.432 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.166 -5.839 7.397 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.528 -5.691 7.234 1.00 0.17 C ATOM 0 H PHE A 46 -3.371 -8.928 10.356 1.00 0.15 H new ATOM 0 HA PHE A 46 -6.206 -9.642 10.056 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.832 -9.485 8.175 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -5.333 -10.261 7.709 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.501 -8.833 7.951 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.579 -7.177 7.886 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.433 -6.654 7.304 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.508 -4.997 7.242 1.00 0.19 H new ATOM 0 HZ PHE A 46 -6.937 -4.732 6.951 1.00 0.17 H new ATOM 724 N SER A 47 -3.885 -11.706 10.745 1.00 0.21 N ATOM 725 CA SER A 47 -3.565 -13.101 11.035 1.00 0.23 C ATOM 726 C SER A 47 -4.658 -13.757 11.876 1.00 0.21 C ATOM 727 O SER A 47 -4.777 -14.981 11.919 1.00 0.32 O ATOM 728 CB SER A 47 -2.224 -13.174 11.762 1.00 0.25 C ATOM 729 OG SER A 47 -1.856 -11.895 12.256 1.00 0.76 O ATOM 0 H SER A 47 -3.227 -11.035 11.141 1.00 0.21 H new ATOM 0 HA SER A 47 -3.500 -13.645 10.093 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.289 -13.884 12.587 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.455 -13.543 11.083 1.00 0.25 H new ATOM 0 HG SER A 47 -1.424 -11.381 11.542 1.00 0.76 H new ATOM 735 N GLU A 48 -5.452 -12.933 12.545 1.00 0.09 N ATOM 736 CA GLU A 48 -6.536 -13.426 13.383 1.00 0.08 C ATOM 737 C GLU A 48 -7.843 -13.513 12.598 1.00 0.10 C ATOM 738 O GLU A 48 -8.839 -14.039 13.089 1.00 0.07 O ATOM 739 CB GLU A 48 -6.716 -12.531 14.613 1.00 0.11 C ATOM 740 CG GLU A 48 -7.152 -11.111 14.290 1.00 0.06 C ATOM 741 CD GLU A 48 -7.399 -10.281 15.529 1.00 0.28 C ATOM 742 OE1 GLU A 48 -6.518 -10.248 16.411 1.00 0.49 O1- ATOM 743 OE2 GLU A 48 -8.471 -9.647 15.614 1.00 0.61 O ATOM 0 H GLU A 48 -5.365 -11.917 12.524 1.00 0.09 H new ATOM 0 HA GLU A 48 -6.271 -14.430 13.715 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -7.454 -12.985 15.274 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -5.776 -12.494 15.163 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -6.386 -10.630 13.682 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -8.062 -11.142 13.691 1.00 0.06 H new ATOM 750 N LYS A 49 -7.838 -12.996 11.374 1.00 0.14 N ATOM 751 CA LYS A 49 -9.028 -13.029 10.539 1.00 0.18 C ATOM 752 C LYS A 49 -9.167 -14.400 9.883 1.00 0.27 C ATOM 753 O LYS A 49 -10.198 -15.059 10.030 1.00 0.38 O ATOM 754 CB LYS A 49 -8.970 -11.935 9.470 1.00 0.12 C ATOM 755 CG LYS A 49 -8.973 -10.515 10.023 1.00 0.20 C ATOM 756 CD LYS A 49 -10.325 -10.141 10.616 1.00 0.43 C ATOM 757 CE LYS A 49 -10.385 -8.666 10.993 1.00 0.64 C ATOM 758 NZ LYS A 49 -10.740 -7.796 9.836 1.00 0.88 N1+ ATOM 0 H LYS A 49 -7.027 -12.552 10.942 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.898 -12.846 11.169 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.071 -12.077 8.871 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.822 -12.053 8.800 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.202 -10.421 10.788 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.719 -9.815 9.227 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -11.113 -10.365 9.897 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.517 -10.751 11.499 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -11.119 -8.527 11.787 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -9.419 -8.357 11.393 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -10.768 -6.803 10.144 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -10.027 -7.906 9.087 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -11.673 -8.071 9.469 1.00 0.88 H new ATOM 772 N GLN A 50 -8.113 -14.815 9.172 1.00 0.30 N ATOM 773 CA GLN A 50 -8.074 -16.113 8.486 1.00 0.41 C ATOM 774 C GLN A 50 -9.348 -16.368 7.675 1.00 0.29 C ATOM 775 O GLN A 50 -10.232 -17.104 8.114 1.00 0.47 O ATOM 776 CB GLN A 50 -7.864 -17.239 9.503 1.00 0.63 C ATOM 777 CG GLN A 50 -6.544 -17.145 10.248 1.00 0.78 C ATOM 778 CD GLN A 50 -6.456 -18.118 11.409 1.00 0.93 C ATOM 779 OE1 GLN A 50 -7.468 -18.484 12.008 1.00 0.94 O ATOM 780 NE2 GLN A 50 -5.245 -18.540 11.738 1.00 1.07 N ATOM 0 H GLN A 50 -7.264 -14.262 9.055 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.237 -16.092 7.788 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -8.681 -17.223 10.224 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -7.913 -18.198 8.987 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -5.726 -17.338 9.555 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -6.413 -16.129 10.620 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -4.432 -18.213 11.216 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -5.125 -19.192 12.513 1.00 1.07 H new ATOM 789 N PRO A 51 -9.463 -15.767 6.477 1.00 0.11 N ATOM 790 CA PRO A 51 -10.649 -15.936 5.635 1.00 0.09 C ATOM 791 C PRO A 51 -10.820 -17.370 5.130 1.00 0.05 C ATOM 792 O PRO A 51 -11.849 -18.000 5.371 1.00 0.20 O ATOM 793 CB PRO A 51 -10.424 -14.969 4.465 1.00 0.32 C ATOM 794 CG PRO A 51 -8.960 -14.676 4.455 1.00 0.44 C ATOM 795 CD PRO A 51 -8.466 -14.867 5.869 1.00 0.34 C ATOM 0 HA PRO A 51 -11.562 -15.729 6.194 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -10.740 -15.416 3.522 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -11.005 -14.056 4.595 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -8.437 -15.343 3.770 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -8.772 -13.658 4.114 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.468 -15.306 5.887 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -8.407 -13.918 6.403 1.00 0.34 H new ATOM 803 N MET A 52 -9.811 -17.885 4.437 1.00 0.10 N ATOM 804 CA MET A 52 -9.876 -19.238 3.899 1.00 0.14 C ATOM 805 C MET A 52 -8.764 -20.122 4.461 1.00 0.14 C ATOM 806 O MET A 52 -8.592 -21.257 4.025 1.00 0.16 O ATOM 807 CB MET A 52 -9.797 -19.199 2.370 1.00 0.25 C ATOM 808 CG MET A 52 -10.771 -18.219 1.732 1.00 0.17 C ATOM 809 SD MET A 52 -9.948 -16.796 0.992 1.00 0.22 S ATOM 810 CE MET A 52 -11.348 -15.937 0.282 1.00 1.11 C ATOM 0 H MET A 52 -8.943 -17.389 4.235 1.00 0.10 H new ATOM 0 HA MET A 52 -10.829 -19.672 4.201 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.782 -18.933 2.074 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.992 -20.198 1.979 1.00 0.25 H new ATOM 0 HG2 MET A 52 -11.350 -18.736 0.967 1.00 0.17 H new ATOM 0 HG3 MET A 52 -11.477 -17.872 2.487 1.00 0.17 H new ATOM 0 HE1 MET A 52 -11.001 -15.049 -0.245 1.00 1.11 H new ATOM 0 HE2 MET A 52 -11.863 -16.596 -0.417 1.00 1.11 H new ATOM 0 HE3 MET A 52 -12.035 -15.642 1.076 1.00 1.11 H new ATOM 820 N LEU A 53 -8.020 -19.587 5.430 1.00 0.15 N ATOM 821 CA LEU A 53 -6.922 -20.312 6.078 1.00 0.17 C ATOM 822 C LEU A 53 -5.947 -20.932 5.072 1.00 0.20 C ATOM 823 O LEU A 53 -5.743 -22.149 5.055 1.00 0.41 O ATOM 824 CB LEU A 53 -7.488 -21.399 6.988 1.00 0.19 C ATOM 825 CG LEU A 53 -8.210 -20.881 8.230 1.00 0.36 C ATOM 826 CD1 LEU A 53 -9.432 -21.729 8.531 1.00 0.31 C ATOM 827 CD2 LEU A 53 -7.264 -20.864 9.419 1.00 0.51 C ATOM 0 H LEU A 53 -8.159 -18.642 5.788 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.359 -19.586 6.664 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.181 -22.012 6.411 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -6.673 -22.050 7.304 1.00 0.19 H new ATOM 0 HG LEU A 53 -8.544 -19.861 8.037 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -9.932 -21.344 9.419 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.117 -21.693 7.684 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -9.125 -22.760 8.706 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -7.791 -20.493 10.298 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -6.904 -21.875 9.612 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -6.418 -20.213 9.201 1.00 0.51 H new ATOM 839 N ASP A 54 -5.355 -20.096 4.230 1.00 0.04 N ATOM 840 CA ASP A 54 -4.396 -20.572 3.238 1.00 0.08 C ATOM 841 C ASP A 54 -2.990 -20.051 3.584 1.00 0.06 C ATOM 842 O ASP A 54 -2.414 -20.460 4.588 1.00 0.07 O ATOM 843 CB ASP A 54 -4.829 -20.163 1.814 1.00 0.12 C ATOM 844 CG ASP A 54 -6.071 -20.882 1.337 1.00 0.14 C ATOM 845 OD1 ASP A 54 -6.022 -22.115 1.160 1.00 0.21 O ATOM 846 OD2 ASP A 54 -7.090 -20.204 1.103 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.520 -19.090 4.212 1.00 0.04 H new ATOM 0 HA ASP A 54 -4.368 -21.661 3.259 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.008 -19.088 1.791 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -4.012 -20.365 1.121 1.00 0.12 H new ATOM 851 N VAL A 55 -2.444 -19.137 2.771 1.00 0.06 N ATOM 852 CA VAL A 55 -1.120 -18.565 3.008 1.00 0.07 C ATOM 853 C VAL A 55 -1.039 -17.188 2.338 1.00 0.06 C ATOM 854 O VAL A 55 -0.976 -16.177 3.038 1.00 0.06 O ATOM 855 CB VAL A 55 0.072 -19.453 2.537 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.102 -19.577 3.652 1.00 0.08 C ATOM 857 CG2 VAL A 55 -0.378 -20.835 2.075 1.00 0.13 C ATOM 0 H VAL A 55 -2.908 -18.778 1.936 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.014 -18.489 4.090 1.00 0.07 H new ATOM 0 HB VAL A 55 0.523 -18.961 1.676 1.00 0.09 H new ATOM 0 HG11 VAL A 55 1.931 -20.199 3.314 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.475 -18.587 3.915 1.00 0.08 H new ATOM 0 HG13 VAL A 55 0.638 -20.034 4.526 1.00 0.08 H new ATOM 0 HG21 VAL A 55 0.490 -21.413 1.758 1.00 0.13 H new ATOM 0 HG22 VAL A 55 -0.876 -21.349 2.897 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -1.070 -20.732 1.240 1.00 0.13 H new ATOM 867 N PRO A 56 -1.065 -17.089 0.975 1.00 0.05 N ATOM 868 CA PRO A 56 -1.029 -15.781 0.305 1.00 0.04 C ATOM 869 C PRO A 56 -2.287 -14.973 0.600 1.00 0.04 C ATOM 870 O PRO A 56 -2.320 -13.759 0.412 1.00 0.04 O ATOM 871 CB PRO A 56 -0.949 -16.132 -1.188 1.00 0.05 C ATOM 872 CG PRO A 56 -1.501 -17.510 -1.283 1.00 0.06 C ATOM 873 CD PRO A 56 -1.089 -18.196 -0.016 1.00 0.06 C ATOM 0 HA PRO A 56 -0.195 -15.166 0.643 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.527 -15.432 -1.791 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.078 -16.091 -1.550 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.586 -17.492 -1.384 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -1.108 -18.031 -2.156 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.795 -18.976 0.268 1.00 0.06 H new ATOM 0 HD3 PRO A 56 -0.113 -18.671 -0.114 1.00 0.06 H new ATOM 881 N LYS A 57 -3.310 -15.669 1.086 1.00 0.05 N ATOM 882 CA LYS A 57 -4.594 -15.059 1.432 1.00 0.05 C ATOM 883 C LYS A 57 -4.416 -13.965 2.484 1.00 0.06 C ATOM 884 O LYS A 57 -5.228 -13.049 2.588 1.00 0.08 O ATOM 885 CB LYS A 57 -5.565 -16.122 1.967 1.00 0.06 C ATOM 886 CG LYS A 57 -6.668 -16.508 0.994 1.00 0.09 C ATOM 887 CD LYS A 57 -6.125 -17.067 -0.315 1.00 0.11 C ATOM 888 CE LYS A 57 -7.250 -17.445 -1.268 1.00 0.12 C ATOM 889 NZ LYS A 57 -7.701 -18.851 -1.072 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.274 -16.675 1.252 1.00 0.05 H new ATOM 0 HA LYS A 57 -5.004 -14.614 0.526 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -4.999 -17.016 2.229 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.020 -15.752 2.886 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -7.316 -17.250 1.461 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -7.284 -15.634 0.784 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -5.479 -16.327 -0.788 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -5.510 -17.943 -0.111 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -8.093 -16.770 -1.119 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -6.913 -17.313 -2.296 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -7.312 -19.449 -1.829 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -7.367 -19.198 -0.150 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -8.740 -18.889 -1.100 1.00 0.10 H new ATOM 903 N LEU A 58 -3.348 -14.075 3.262 1.00 0.05 N ATOM 904 CA LEU A 58 -3.062 -13.106 4.312 1.00 0.06 C ATOM 905 C LEU A 58 -2.345 -11.885 3.739 1.00 0.06 C ATOM 906 O LEU A 58 -2.657 -10.750 4.091 1.00 0.08 O ATOM 907 CB LEU A 58 -2.197 -13.755 5.410 1.00 0.06 C ATOM 908 CG LEU A 58 -2.655 -13.539 6.864 1.00 0.11 C ATOM 909 CD1 LEU A 58 -2.483 -12.088 7.284 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.099 -13.996 7.055 1.00 0.17 C ATOM 0 H LEU A 58 -2.664 -14.827 3.186 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.007 -12.781 4.746 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -2.155 -14.828 5.222 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.180 -13.374 5.313 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.021 -14.149 7.507 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -2.815 -11.966 8.315 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.432 -11.809 7.205 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -3.079 -11.448 6.633 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -4.398 -13.833 8.090 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -4.752 -13.425 6.394 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -4.179 -15.057 6.817 1.00 0.17 H new ATOM 922 N ALA A 59 -1.411 -12.130 2.826 1.00 0.05 N ATOM 923 CA ALA A 59 -0.628 -11.059 2.220 1.00 0.06 C ATOM 924 C ALA A 59 -1.425 -10.274 1.174 1.00 0.08 C ATOM 925 O ALA A 59 -1.254 -9.060 1.045 1.00 0.11 O ATOM 926 CB ALA A 59 0.642 -11.629 1.619 1.00 0.06 C ATOM 0 H ALA A 59 -1.177 -13.064 2.489 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.368 -10.351 3.007 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.224 -10.825 1.168 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.231 -12.108 2.401 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.385 -12.364 0.856 1.00 0.06 H new ATOM 932 N VAL A 60 -2.293 -10.951 0.429 1.00 0.05 N ATOM 933 CA VAL A 60 -3.102 -10.266 -0.587 1.00 0.07 C ATOM 934 C VAL A 60 -4.112 -9.346 0.082 1.00 0.07 C ATOM 935 O VAL A 60 -4.496 -8.313 -0.470 1.00 0.08 O ATOM 936 CB VAL A 60 -3.867 -11.227 -1.541 1.00 0.07 C ATOM 937 CG1 VAL A 60 -2.920 -12.141 -2.302 1.00 0.07 C ATOM 938 CG2 VAL A 60 -4.920 -12.034 -0.794 1.00 0.08 C ATOM 0 H VAL A 60 -2.457 -11.955 0.503 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.393 -9.704 -1.195 1.00 0.07 H new ATOM 0 HB VAL A 60 -4.381 -10.604 -2.273 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -3.494 -12.796 -2.957 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -2.236 -11.539 -2.900 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -2.350 -12.744 -1.595 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -5.435 -12.695 -1.492 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.439 -12.630 -0.018 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -5.641 -11.356 -0.337 1.00 0.08 H new ATOM 948 N LEU A 61 -4.522 -9.720 1.288 1.00 0.07 N ATOM 949 CA LEU A 61 -5.490 -8.939 2.042 1.00 0.08 C ATOM 950 C LEU A 61 -4.863 -7.629 2.494 1.00 0.08 C ATOM 951 O LEU A 61 -5.482 -6.570 2.415 1.00 0.08 O ATOM 952 CB LEU A 61 -5.993 -9.731 3.256 1.00 0.10 C ATOM 953 CG LEU A 61 -7.461 -9.507 3.631 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.381 -10.149 2.602 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.746 -10.067 5.019 1.00 0.07 C ATOM 0 H LEU A 61 -4.197 -10.562 1.764 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.340 -8.721 1.396 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -5.845 -10.793 3.061 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.374 -9.475 4.116 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.653 -8.434 3.642 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.419 -9.979 2.886 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.196 -9.708 1.623 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.187 -11.221 2.559 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.793 -9.900 5.271 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.536 -11.137 5.030 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -7.113 -9.566 5.751 1.00 0.07 H new ATOM 967 N THR A 62 -3.621 -7.707 2.951 1.00 0.10 N ATOM 968 CA THR A 62 -2.907 -6.532 3.413 1.00 0.11 C ATOM 969 C THR A 62 -2.539 -5.617 2.254 1.00 0.10 C ATOM 970 O THR A 62 -2.587 -4.395 2.385 1.00 0.13 O ATOM 971 CB THR A 62 -1.632 -6.930 4.172 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.978 -8.016 3.507 1.00 0.12 O ATOM 973 CG2 THR A 62 -1.965 -7.347 5.585 1.00 0.15 C ATOM 0 H THR A 62 -3.089 -8.575 3.011 1.00 0.10 H new ATOM 0 HA THR A 62 -3.573 -5.994 4.087 1.00 0.11 H new ATOM 0 HB THR A 62 -0.970 -6.065 4.198 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.223 -8.013 2.558 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.050 -7.625 6.107 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.442 -6.517 6.106 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.644 -8.200 5.562 1.00 0.15 H new ATOM 981 N ALA A 63 -2.197 -6.212 1.119 1.00 0.08 N ATOM 982 CA ALA A 63 -1.806 -5.455 -0.064 1.00 0.08 C ATOM 983 C ALA A 63 -2.890 -4.467 -0.486 1.00 0.07 C ATOM 984 O ALA A 63 -2.615 -3.289 -0.717 1.00 0.08 O ATOM 985 CB ALA A 63 -1.484 -6.404 -1.207 1.00 0.08 C ATOM 0 H ALA A 63 -2.182 -7.224 0.992 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.916 -4.879 0.188 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.193 -5.829 -2.086 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.664 -7.060 -0.915 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.364 -7.004 -1.441 1.00 0.08 H new ATOM 991 N VAL A 64 -4.121 -4.949 -0.568 1.00 0.07 N ATOM 992 CA VAL A 64 -5.238 -4.112 -0.972 1.00 0.08 C ATOM 993 C VAL A 64 -5.676 -3.182 0.160 1.00 0.09 C ATOM 994 O VAL A 64 -6.040 -2.033 -0.086 1.00 0.12 O ATOM 995 CB VAL A 64 -6.436 -4.955 -1.483 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.104 -5.734 -0.358 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.446 -4.066 -2.200 1.00 0.12 C ATOM 0 H VAL A 64 -4.371 -5.916 -0.360 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.889 -3.497 -1.801 1.00 0.08 H new ATOM 0 HB VAL A 64 -6.046 -5.685 -2.192 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.937 -6.310 -0.760 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.380 -6.411 0.096 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.473 -5.039 0.396 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.280 -4.673 -2.552 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.816 -3.306 -1.511 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.966 -3.582 -3.050 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.605 -3.666 1.398 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.010 -2.862 2.551 1.00 0.09 C ATOM 1009 C GLN A 65 -5.069 -1.679 2.761 1.00 0.07 C ATOM 1010 O GLN A 65 -5.521 -0.543 2.909 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.100 -3.707 3.825 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.537 -3.925 4.288 1.00 0.10 C ATOM 1013 CD GLN A 65 -8.097 -2.725 5.026 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -8.043 -2.657 6.254 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -8.633 -1.769 4.284 1.00 0.31 N ATOM 0 H GLN A 65 -5.274 -4.603 1.629 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.005 -2.473 2.335 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.629 -4.674 3.648 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.537 -3.219 4.620 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -8.165 -4.142 3.424 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.577 -4.799 4.938 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -8.658 -1.865 3.269 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -9.021 -0.937 4.727 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.765 -1.943 2.747 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.769 -0.891 2.925 1.00 0.03 C ATOM 1026 C ILE A 66 -2.964 0.184 1.861 1.00 0.05 C ATOM 1027 O ILE A 66 -2.922 1.380 2.150 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.324 -1.453 2.847 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.016 -2.296 4.090 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.311 -0.324 2.706 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.263 -3.106 3.988 1.00 1.29 C ATOM 0 H ILE A 66 -3.374 -2.876 2.614 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.906 -0.460 3.917 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.249 -2.088 1.965 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.948 -1.637 4.955 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.850 -2.974 4.271 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.694 -0.742 2.653 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.518 0.239 1.796 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.383 0.340 3.568 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.408 -3.674 4.907 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.192 -3.793 3.145 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.108 -2.434 3.839 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.214 -0.262 0.638 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.431 0.642 -0.476 1.00 0.05 C ATOM 1045 C ALA A 67 -4.630 1.550 -0.221 1.00 0.04 C ATOM 1046 O ALA A 67 -4.514 2.769 -0.315 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.626 -0.148 -1.757 1.00 0.06 C ATOM 0 H ALA A 67 -3.271 -1.251 0.394 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.549 1.274 -0.581 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.788 0.539 -2.587 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.738 -0.750 -1.952 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.492 -0.802 -1.653 1.00 0.06 H new ATOM 1053 N SER A 68 -5.771 0.961 0.127 1.00 0.05 N ATOM 1054 CA SER A 68 -6.981 1.741 0.387 1.00 0.07 C ATOM 1055 C SER A 68 -6.774 2.749 1.524 1.00 0.08 C ATOM 1056 O SER A 68 -7.306 3.860 1.478 1.00 0.12 O ATOM 1057 CB SER A 68 -8.164 0.820 0.701 1.00 0.07 C ATOM 1058 OG SER A 68 -7.752 -0.347 1.391 1.00 0.04 O ATOM 0 H SER A 68 -5.885 -0.047 0.235 1.00 0.05 H new ATOM 0 HA SER A 68 -7.205 2.304 -0.519 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.895 1.359 1.303 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.661 0.537 -0.227 1.00 0.07 H new ATOM 0 HG SER A 68 -6.978 -0.138 1.955 1.00 0.04 H new ATOM 1064 N GLU A 69 -5.978 2.371 2.522 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.708 3.244 3.661 1.00 0.14 C ATOM 1066 C GLU A 69 -4.871 4.456 3.241 1.00 0.10 C ATOM 1067 O GLU A 69 -4.855 5.481 3.923 1.00 0.10 O ATOM 1068 CB GLU A 69 -4.996 2.466 4.777 1.00 0.19 C ATOM 1069 CG GLU A 69 -5.886 1.444 5.479 1.00 0.29 C ATOM 1070 CD GLU A 69 -5.202 0.778 6.662 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -4.997 1.457 7.691 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -4.880 -0.426 6.576 1.00 0.82 O ATOM 0 H GLU A 69 -5.509 1.466 2.565 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.663 3.607 4.040 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.132 1.953 4.355 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.618 3.173 5.516 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -6.796 1.937 5.822 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.188 0.680 4.763 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.186 4.338 2.107 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.348 5.421 1.599 1.00 0.04 C ATOM 1081 C TYR A 70 -4.019 6.180 0.452 1.00 0.03 C ATOM 1082 O TYR A 70 -3.642 7.311 0.149 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.995 4.873 1.144 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.991 4.724 2.266 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.907 3.549 2.999 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.126 5.761 2.590 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.009 3.407 4.022 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.794 5.628 3.613 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.857 4.448 4.326 1.00 0.44 C ATOM 1090 OH TYR A 70 1.774 4.307 5.344 1.00 0.58 O ATOM 0 H TYR A 70 -4.195 3.503 1.522 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.199 6.127 2.416 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.146 3.902 0.672 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.581 5.536 0.384 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -1.571 2.730 2.765 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -0.173 6.686 2.034 1.00 0.37 H new ATOM 0 HE1 TYR A 70 0.060 2.484 4.581 1.00 0.47 H new ATOM 0 HE2 TYR A 70 1.460 6.443 3.853 1.00 0.46 H new ATOM 0 HH TYR A 70 1.384 3.768 6.064 1.00 0.58 H new ATOM 1100 N LEU A 71 -5.009 5.567 -0.185 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.719 6.213 -1.299 1.00 0.11 C ATOM 1102 C LEU A 71 -6.414 7.485 -0.823 1.00 0.12 C ATOM 1103 O LEU A 71 -6.358 8.518 -1.490 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.758 5.261 -1.922 1.00 0.13 C ATOM 1105 CG LEU A 71 -6.382 4.587 -3.261 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -6.230 5.602 -4.385 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.113 3.755 -3.134 1.00 0.23 C ATOM 0 H LEU A 71 -5.342 4.630 0.043 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.980 6.468 -2.059 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.975 4.476 -1.197 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.682 5.820 -2.072 1.00 0.13 H new ATOM 0 HG LEU A 71 -7.207 3.921 -3.514 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.965 5.086 -5.308 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -7.171 6.135 -4.524 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -5.445 6.313 -4.129 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.881 3.297 -4.095 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -4.286 4.396 -2.828 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -5.262 2.975 -2.387 1.00 0.23 H new ATOM 1119 N LYS A 72 -7.056 7.400 0.336 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.761 8.543 0.915 1.00 0.16 C ATOM 1121 C LYS A 72 -6.820 9.719 1.195 1.00 0.16 C ATOM 1122 O LYS A 72 -7.256 10.871 1.251 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.508 8.134 2.204 1.00 0.18 C ATOM 1124 CG LYS A 72 -7.643 7.493 3.297 1.00 0.18 C ATOM 1125 CD LYS A 72 -6.892 8.524 4.131 1.00 0.22 C ATOM 1126 CE LYS A 72 -7.824 9.317 5.033 1.00 0.25 C ATOM 1127 NZ LYS A 72 -7.076 10.258 5.908 1.00 0.24 N1+ ATOM 0 H LYS A 72 -7.104 6.549 0.897 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.490 8.875 0.176 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -8.990 9.019 2.620 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.301 7.435 1.937 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -8.276 6.894 3.951 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -6.927 6.813 2.836 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -6.141 8.020 4.739 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -6.360 9.207 3.469 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -8.534 9.875 4.422 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -8.404 8.631 5.649 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -7.738 10.940 6.330 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -6.599 9.725 6.663 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -6.367 10.768 5.343 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.530 9.425 1.338 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.530 10.451 1.626 1.00 0.05 C ATOM 1143 C LEU A 73 -4.416 11.429 0.457 1.00 0.05 C ATOM 1144 O LEU A 73 -4.433 12.644 0.647 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.166 9.793 1.924 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.160 10.608 2.763 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -1.595 11.779 1.974 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -2.790 11.095 4.064 1.00 0.24 C ATOM 0 H LEU A 73 -5.151 8.481 1.259 1.00 0.03 H new ATOM 0 HA LEU A 73 -4.844 11.011 2.507 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.351 8.850 2.439 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.693 9.549 0.973 1.00 0.14 H new ATOM 0 HG LEU A 73 -1.335 9.941 3.012 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -0.890 12.331 2.596 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -1.082 11.407 1.087 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -2.407 12.440 1.672 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -2.056 11.666 4.632 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -3.647 11.729 3.838 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -3.118 10.238 4.652 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.324 10.896 -0.756 1.00 0.10 N ATOM 1161 CA LYS A 74 -4.212 11.740 -1.938 1.00 0.18 C ATOM 1162 C LYS A 74 -5.542 12.428 -2.236 1.00 0.21 C ATOM 1163 O LYS A 74 -5.575 13.507 -2.828 1.00 0.29 O ATOM 1164 CB LYS A 74 -3.740 10.934 -3.156 1.00 0.23 C ATOM 1165 CG LYS A 74 -4.794 10.008 -3.750 1.00 0.11 C ATOM 1166 CD LYS A 74 -4.462 9.634 -5.189 1.00 0.18 C ATOM 1167 CE LYS A 74 -3.232 8.738 -5.274 1.00 0.26 C ATOM 1168 NZ LYS A 74 -2.916 8.354 -6.674 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.325 9.894 -0.945 1.00 0.10 H new ATOM 0 HA LYS A 74 -3.463 12.504 -1.731 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -3.408 11.628 -3.928 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.873 10.339 -2.868 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -4.867 9.104 -3.146 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -5.769 10.495 -3.715 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -5.314 9.124 -5.637 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -4.292 10.541 -5.770 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -2.377 9.255 -4.838 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -3.397 7.839 -4.680 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -2.073 7.745 -6.685 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -3.721 7.838 -7.083 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.732 9.210 -7.236 1.00 0.15 H new ATOM 1182 N GLU A 75 -6.630 11.806 -1.795 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.958 12.354 -2.011 1.00 0.27 C ATOM 1184 C GLU A 75 -8.134 13.633 -1.198 1.00 0.23 C ATOM 1185 O GLU A 75 -8.544 14.668 -1.733 1.00 0.32 O ATOM 1186 CB GLU A 75 -9.025 11.324 -1.631 1.00 0.36 C ATOM 1187 CG GLU A 75 -10.416 11.655 -2.154 1.00 0.51 C ATOM 1188 CD GLU A 75 -10.465 11.772 -3.665 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -9.859 10.930 -4.357 1.00 1.57 O1- ATOM 1190 OE2 GLU A 75 -11.114 12.720 -4.173 1.00 1.47 O ATOM 0 H GLU A 75 -6.615 10.922 -1.286 1.00 0.18 H new ATOM 0 HA GLU A 75 -8.074 12.595 -3.068 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.726 10.348 -2.014 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -9.066 11.242 -0.545 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -11.114 10.882 -1.832 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -10.752 12.592 -1.711 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.800 13.570 0.091 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.925 14.736 0.959 1.00 0.10 C ATOM 1199 C GLU A 76 -6.907 15.804 0.566 1.00 0.05 C ATOM 1200 O GLU A 76 -7.158 16.998 0.727 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.789 14.358 2.442 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.419 13.839 2.857 1.00 0.19 C ATOM 1203 CD GLU A 76 -6.464 13.112 4.185 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -7.006 13.678 5.159 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -5.977 11.968 4.259 1.00 1.56 O ATOM 0 H GLU A 76 -7.445 12.732 0.552 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.925 15.147 0.825 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -8.026 15.233 3.047 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.534 13.597 2.676 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.039 13.166 2.088 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.721 14.673 2.924 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.767 15.367 0.036 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.730 16.285 -0.423 1.00 0.05 C ATOM 1214 C TYR A 77 -5.294 17.173 -1.531 1.00 0.07 C ATOM 1215 O TYR A 77 -5.168 18.396 -1.494 1.00 0.11 O ATOM 1216 CB TYR A 77 -3.510 15.491 -0.920 1.00 0.09 C ATOM 1217 CG TYR A 77 -2.517 16.282 -1.749 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -2.146 17.573 -1.396 1.00 0.14 C ATOM 1219 CD2 TYR A 77 -1.941 15.723 -2.883 1.00 0.12 C ATOM 1220 CE1 TYR A 77 -1.238 18.288 -2.153 1.00 0.17 C ATOM 1221 CE2 TYR A 77 -1.029 16.431 -3.646 1.00 0.16 C ATOM 1222 CZ TYR A 77 -0.681 17.711 -3.274 1.00 0.18 C ATOM 1223 OH TYR A 77 0.208 18.427 -4.043 1.00 0.21 O ATOM 0 H TYR A 77 -5.539 14.380 -0.086 1.00 0.06 H new ATOM 0 HA TYR A 77 -4.407 16.920 0.402 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.989 15.078 -0.056 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.863 14.647 -1.513 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.575 18.026 -0.514 1.00 0.14 H new ATOM 0 HD2 TYR A 77 -2.210 14.718 -3.174 1.00 0.12 H new ATOM 0 HE1 TYR A 77 -0.966 19.294 -1.868 1.00 0.17 H new ATOM 0 HE2 TYR A 77 -0.593 15.983 -4.527 1.00 0.16 H new ATOM 0 HH TYR A 77 0.508 17.875 -4.795 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.943 16.540 -2.498 1.00 0.10 N ATOM 1234 CA GLN A 78 -6.557 17.254 -3.618 1.00 0.13 C ATOM 1235 C GLN A 78 -7.682 18.168 -3.123 1.00 0.06 C ATOM 1236 O GLN A 78 -7.893 19.260 -3.652 1.00 0.08 O ATOM 1237 CB GLN A 78 -7.093 16.249 -4.650 1.00 0.19 C ATOM 1238 CG GLN A 78 -8.300 16.741 -5.443 1.00 0.23 C ATOM 1239 CD GLN A 78 -9.408 15.705 -5.520 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -10.124 15.622 -6.516 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -9.570 14.915 -4.467 1.00 0.26 N ATOM 0 H GLN A 78 -6.060 15.527 -2.533 1.00 0.10 H new ATOM 0 HA GLN A 78 -5.799 17.876 -4.094 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.292 16.001 -5.347 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -7.364 15.327 -4.135 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -8.688 17.649 -4.982 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -7.984 17.006 -6.452 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -8.957 15.012 -3.658 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -10.308 14.210 -4.467 1.00 0.26 H new ATOM 1250 N ARG A 79 -8.372 17.725 -2.077 1.00 0.04 N ATOM 1251 CA ARG A 79 -9.484 18.485 -1.514 1.00 0.11 C ATOM 1252 C ARG A 79 -8.981 19.716 -0.772 1.00 0.17 C ATOM 1253 O ARG A 79 -9.644 20.751 -0.737 1.00 0.29 O ATOM 1254 CB ARG A 79 -10.309 17.605 -0.577 1.00 0.18 C ATOM 1255 CG ARG A 79 -11.199 16.616 -1.316 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.954 15.721 -0.349 1.00 0.78 C ATOM 1257 NE ARG A 79 -13.110 15.092 -0.981 1.00 1.20 N ATOM 1258 CZ ARG A 79 -14.283 14.921 -0.376 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -14.460 15.343 0.873 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -15.283 14.345 -1.021 1.00 1.78 N ATOM 0 H ARG A 79 -8.181 16.843 -1.601 1.00 0.04 H new ATOM 0 HA ARG A 79 -10.118 18.816 -2.336 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.636 17.057 0.083 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.929 18.240 0.056 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.908 17.159 -1.941 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.591 16.004 -1.982 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -11.284 14.950 0.031 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -12.283 16.308 0.508 1.00 0.78 H new ATOM 0 HE ARG A 79 -13.013 14.765 -1.942 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -13.695 15.799 1.370 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -15.360 15.210 1.333 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -15.156 14.031 -1.983 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -16.182 14.214 -0.556 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.806 19.591 -0.176 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.195 20.688 0.562 1.00 0.17 C ATOM 1276 C LEU A 80 -6.743 21.791 -0.390 1.00 0.18 C ATOM 1277 O LEU A 80 -6.893 22.978 -0.100 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.003 20.172 1.372 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.032 21.253 1.858 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -5.282 21.591 3.321 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -3.594 20.815 1.646 1.00 0.23 C ATOM 0 H LEU A 80 -7.252 18.735 -0.189 1.00 0.11 H new ATOM 0 HA LEU A 80 -7.937 21.104 1.243 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.380 19.628 2.238 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.451 19.457 0.762 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.206 22.154 1.270 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -4.580 22.361 3.642 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -6.302 21.957 3.441 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -5.144 20.697 3.930 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -2.920 21.596 1.997 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -3.407 19.897 2.203 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.421 20.637 0.585 1.00 0.23 H new ATOM 1293 N ARG A 81 -6.211 21.383 -1.537 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.718 22.322 -2.539 1.00 0.21 C ATOM 1295 C ARG A 81 -6.839 23.208 -3.078 1.00 0.22 C ATOM 1296 O ARG A 81 -6.707 24.430 -3.114 1.00 0.31 O ATOM 1297 CB ARG A 81 -5.047 21.569 -3.687 1.00 0.21 C ATOM 1298 CG ARG A 81 -3.790 20.819 -3.277 1.00 0.25 C ATOM 1299 CD ARG A 81 -2.995 20.351 -4.487 1.00 0.43 C ATOM 1300 NE ARG A 81 -2.574 21.468 -5.334 1.00 0.50 N ATOM 1301 CZ ARG A 81 -1.405 21.528 -5.973 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.509 20.551 -5.842 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -1.126 22.577 -6.739 1.00 0.54 N ATOM 0 H ARG A 81 -6.110 20.402 -1.797 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.984 22.967 -2.055 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -5.759 20.861 -4.110 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -4.795 22.278 -4.476 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -3.166 21.465 -2.659 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -4.062 19.959 -2.665 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -2.117 19.799 -4.152 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -3.601 19.660 -5.073 1.00 0.43 H new ATOM 0 HE ARG A 81 -3.217 22.252 -5.443 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -0.714 19.747 -5.249 1.00 0.71 H new ATOM 0 HH12 ARG A 81 0.382 20.607 -6.335 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -1.805 23.332 -6.836 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -0.233 22.627 -7.230 1.00 0.54 H new ATOM 1317 N GLU A 82 -7.945 22.592 -3.484 1.00 0.13 N ATOM 1318 CA GLU A 82 -9.079 23.343 -4.019 1.00 0.14 C ATOM 1319 C GLU A 82 -9.717 24.213 -2.936 1.00 0.14 C ATOM 1320 O GLU A 82 -10.297 25.257 -3.230 1.00 0.14 O ATOM 1321 CB GLU A 82 -10.122 22.398 -4.623 1.00 0.14 C ATOM 1322 CG GLU A 82 -10.747 21.455 -3.612 1.00 0.06 C ATOM 1323 CD GLU A 82 -11.908 20.674 -4.180 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -11.760 20.073 -5.262 1.00 1.21 O1- ATOM 1325 OE2 GLU A 82 -12.979 20.656 -3.546 1.00 0.84 O ATOM 0 H GLU A 82 -8.081 21.582 -3.454 1.00 0.13 H new ATOM 0 HA GLU A 82 -8.705 23.995 -4.808 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -10.909 22.990 -5.090 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -9.654 21.811 -5.413 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -9.988 20.760 -3.253 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -11.088 22.028 -2.750 1.00 0.06 H new ATOM 1332 N GLN A 83 -9.590 23.785 -1.683 1.00 0.14 N ATOM 1333 CA GLN A 83 -10.147 24.529 -0.558 1.00 0.14 C ATOM 1334 C GLN A 83 -9.436 25.872 -0.421 1.00 0.13 C ATOM 1335 O GLN A 83 -10.023 26.860 0.018 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.021 23.717 0.737 1.00 0.14 C ATOM 1337 CG GLN A 83 -10.648 24.386 1.956 1.00 0.11 C ATOM 1338 CD GLN A 83 -11.747 23.550 2.590 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -11.485 22.686 3.426 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -12.990 23.805 2.209 1.00 0.65 N ATOM 0 H GLN A 83 -9.106 22.926 -1.421 1.00 0.14 H new ATOM 0 HA GLN A 83 -11.206 24.710 -0.744 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -10.489 22.744 0.590 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -8.965 23.536 0.938 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -9.872 24.579 2.697 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -11.057 25.353 1.663 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -13.172 24.528 1.513 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -13.765 23.278 2.611 1.00 0.65 H new ATOM 1349 N LEU A 84 -8.170 25.898 -0.815 1.00 0.13 N ATOM 1350 CA LEU A 84 -7.372 27.115 -0.755 1.00 0.10 C ATOM 1351 C LEU A 84 -7.835 28.106 -1.815 1.00 0.05 C ATOM 1352 O LEU A 84 -7.668 29.318 -1.670 1.00 0.17 O ATOM 1353 CB LEU A 84 -5.888 26.791 -0.961 1.00 0.13 C ATOM 1354 CG LEU A 84 -4.927 27.989 -0.814 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -4.753 28.378 0.648 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -3.571 27.692 -1.450 1.00 0.15 C ATOM 0 H LEU A 84 -7.672 25.087 -1.181 1.00 0.13 H new ATOM 0 HA LEU A 84 -7.503 27.563 0.230 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -5.598 26.023 -0.244 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -5.761 26.364 -1.956 1.00 0.13 H new ATOM 0 HG LEU A 84 -5.374 28.832 -1.342 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.071 29.225 0.720 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -5.720 28.654 1.069 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -4.344 27.534 1.203 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -2.916 28.555 -1.330 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -3.123 26.826 -0.963 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -3.705 27.483 -2.511 1.00 0.15 H new ATOM 1368 N LYS A 85 -8.440 27.581 -2.873 1.00 0.12 N ATOM 1369 CA LYS A 85 -8.926 28.408 -3.970 1.00 0.08 C ATOM 1370 C LYS A 85 -10.321 28.956 -3.680 1.00 0.11 C ATOM 1371 O LYS A 85 -10.893 29.686 -4.494 1.00 0.11 O ATOM 1372 CB LYS A 85 -8.953 27.599 -5.266 1.00 0.02 C ATOM 1373 CG LYS A 85 -7.572 27.243 -5.792 1.00 0.15 C ATOM 1374 CD LYS A 85 -7.638 26.188 -6.886 1.00 0.18 C ATOM 1375 CE LYS A 85 -8.349 26.693 -8.133 1.00 0.27 C ATOM 1376 NZ LYS A 85 -7.671 27.876 -8.732 1.00 0.48 N1+ ATOM 0 H LYS A 85 -8.606 26.582 -2.995 1.00 0.12 H new ATOM 0 HA LYS A 85 -8.243 29.251 -4.078 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -9.517 26.681 -5.099 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -9.487 28.167 -6.028 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -7.089 28.140 -6.181 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -6.954 26.878 -4.972 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -6.627 25.876 -7.148 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -8.156 25.307 -6.507 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -8.396 25.892 -8.871 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -9.377 26.955 -7.881 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -8.051 28.049 -9.685 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -7.839 28.711 -8.136 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -6.649 27.695 -8.795 1.00 0.48 H new ATOM 1390 N LYS A 86 -10.872 28.596 -2.530 1.00 0.23 N ATOM 1391 CA LYS A 86 -12.194 29.058 -2.144 1.00 0.30 C ATOM 1392 C LYS A 86 -12.303 29.129 -0.623 1.00 0.31 C ATOM 1393 O LYS A 86 -11.670 30.022 -0.027 1.00 0.34 O ATOM 1394 CB LYS A 86 -13.270 28.129 -2.718 1.00 0.35 C ATOM 1395 CG LYS A 86 -14.671 28.720 -2.678 1.00 0.42 C ATOM 1396 CD LYS A 86 -15.689 27.802 -3.333 1.00 0.38 C ATOM 1397 CE LYS A 86 -15.424 27.656 -4.824 1.00 0.40 C ATOM 1398 NZ LYS A 86 -16.500 26.900 -5.512 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -13.004 28.285 -0.030 1.00 0.35 O1- ATOM 0 H LYS A 86 -10.422 27.985 -1.848 1.00 0.23 H new ATOM 0 HA LYS A 86 -12.350 30.058 -2.550 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -13.016 27.887 -3.750 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -13.264 27.192 -2.161 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -14.959 28.903 -1.643 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -14.673 29.685 -3.184 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -15.656 26.821 -2.858 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -16.692 28.198 -3.177 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -15.332 28.645 -5.274 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -14.472 27.148 -4.974 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -16.278 26.825 -6.525 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -16.572 25.947 -5.102 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -17.405 27.398 -5.392 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -33.181 -13.954 7.108 1.00 1.09 N ATOM 1415 CA GLY B 1 -32.931 -13.398 8.456 1.00 0.31 C ATOM 1416 C GLY B 1 -32.465 -11.964 8.394 1.00 0.29 C ATOM 1417 O GLY B 1 -31.496 -11.650 7.704 1.00 0.69 O ATOM 0 H1 GLY B 1 -33.499 -14.940 7.193 1.00 1.09 H new ATOM 0 H2 GLY B 1 -33.916 -13.393 6.632 1.00 1.09 H new ATOM 0 H3 GLY B 1 -32.304 -13.920 6.550 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -33.844 -13.458 9.049 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -32.180 -14.002 8.965 1.00 0.31 H new ATOM 1423 N SER B 2 -33.153 -11.086 9.105 1.00 0.38 N ATOM 1424 CA SER B 2 -32.793 -9.680 9.117 1.00 0.63 C ATOM 1425 C SER B 2 -32.541 -9.208 10.542 1.00 0.42 C ATOM 1426 O SER B 2 -33.069 -9.780 11.499 1.00 0.44 O ATOM 1427 CB SER B 2 -33.902 -8.849 8.467 1.00 1.08 C ATOM 1428 OG SER B 2 -34.095 -9.229 7.113 1.00 1.47 O ATOM 0 H SER B 2 -33.962 -11.322 9.680 1.00 0.38 H new ATOM 0 HA SER B 2 -31.875 -9.548 8.544 1.00 0.63 H new ATOM 0 HB2 SER B 2 -34.832 -8.980 9.021 1.00 1.08 H new ATOM 0 HB3 SER B 2 -33.646 -7.791 8.519 1.00 1.08 H new ATOM 0 HG SER B 2 -34.809 -8.686 6.719 1.00 1.47 H new ATOM 1434 N HIS B 3 -31.718 -8.183 10.686 1.00 0.34 N ATOM 1435 CA HIS B 3 -31.402 -7.636 11.992 1.00 0.24 C ATOM 1436 C HIS B 3 -30.820 -6.238 11.848 1.00 0.25 C ATOM 1437 O HIS B 3 -29.930 -6.007 11.032 1.00 0.45 O ATOM 1438 CB HIS B 3 -30.417 -8.548 12.728 1.00 0.41 C ATOM 1439 CG HIS B 3 -30.422 -8.369 14.213 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -31.339 -8.982 15.039 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -29.614 -7.646 15.020 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -31.096 -8.638 16.290 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -30.053 -7.831 16.308 1.00 1.42 N ATOM 0 H HIS B 3 -31.255 -7.712 9.909 1.00 0.34 H new ATOM 0 HA HIS B 3 -32.320 -7.575 12.576 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -30.655 -9.586 12.496 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -29.411 -8.359 12.352 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -28.778 -7.036 14.710 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -31.657 -8.963 17.154 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -29.640 -7.413 17.142 1.00 1.42 H new ATOM 1452 N MET B 4 -31.329 -5.309 12.640 1.00 0.16 N ATOM 1453 CA MET B 4 -30.852 -3.935 12.593 1.00 0.18 C ATOM 1454 C MET B 4 -29.714 -3.750 13.583 1.00 0.37 C ATOM 1455 O MET B 4 -29.682 -4.401 14.626 1.00 0.82 O ATOM 1456 CB MET B 4 -31.994 -2.957 12.891 1.00 0.24 C ATOM 1457 CG MET B 4 -33.142 -3.055 11.900 1.00 0.26 C ATOM 1458 SD MET B 4 -34.490 -1.917 12.271 1.00 0.45 S ATOM 1459 CE MET B 4 -33.767 -0.358 11.768 1.00 0.61 C ATOM 0 H MET B 4 -32.069 -5.479 13.321 1.00 0.16 H new ATOM 0 HA MET B 4 -30.482 -3.724 11.590 1.00 0.18 H new ATOM 0 HB2 MET B 4 -32.373 -3.146 13.895 1.00 0.24 H new ATOM 0 HB3 MET B 4 -31.603 -1.940 12.884 1.00 0.24 H new ATOM 0 HG2 MET B 4 -32.767 -2.851 10.897 1.00 0.26 H new ATOM 0 HG3 MET B 4 -33.526 -4.075 11.896 1.00 0.26 H new ATOM 0 HE1 MET B 4 -34.535 0.416 11.768 1.00 0.61 H new ATOM 0 HE2 MET B 4 -32.974 -0.083 12.464 1.00 0.61 H new ATOM 0 HE3 MET B 4 -33.351 -0.456 10.765 1.00 0.61 H new ATOM 1469 N THR B 5 -28.787 -2.872 13.254 1.00 0.18 N ATOM 1470 CA THR B 5 -27.638 -2.619 14.103 1.00 0.33 C ATOM 1471 C THR B 5 -26.991 -1.291 13.730 1.00 0.22 C ATOM 1472 O THR B 5 -27.451 -0.604 12.812 1.00 0.16 O ATOM 1473 CB THR B 5 -26.606 -3.772 13.980 1.00 0.59 C ATOM 1474 OG1 THR B 5 -25.513 -3.580 14.889 1.00 0.29 O ATOM 1475 CG2 THR B 5 -26.067 -3.881 12.559 1.00 0.99 C ATOM 0 H THR B 5 -28.807 -2.318 12.398 1.00 0.18 H new ATOM 0 HA THR B 5 -27.977 -2.567 15.138 1.00 0.33 H new ATOM 0 HB THR B 5 -27.124 -4.697 14.232 1.00 0.59 H new ATOM 0 HG1 THR B 5 -24.876 -4.319 14.795 1.00 0.29 H new ATOM 0 HG21 THR B 5 -25.347 -4.697 12.505 1.00 0.99 H new ATOM 0 HG22 THR B 5 -26.890 -4.077 11.872 1.00 0.99 H new ATOM 0 HG23 THR B 5 -25.578 -2.947 12.283 1.00 0.99 H new ATOM 1483 N GLU B 6 -25.946 -0.919 14.457 1.00 0.23 N ATOM 1484 CA GLU B 6 -25.212 0.310 14.198 1.00 0.17 C ATOM 1485 C GLU B 6 -24.596 0.261 12.802 1.00 0.23 C ATOM 1486 O GLU B 6 -24.230 -0.811 12.322 1.00 0.52 O ATOM 1487 CB GLU B 6 -24.120 0.484 15.259 1.00 0.15 C ATOM 1488 CG GLU B 6 -23.211 1.687 15.047 1.00 0.15 C ATOM 1489 CD GLU B 6 -21.838 1.485 15.657 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -21.674 0.555 16.476 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -20.914 2.249 15.316 1.00 1.72 O1- ATOM 0 H GLU B 6 -25.584 -1.461 15.242 1.00 0.23 H new ATOM 0 HA GLU B 6 -25.893 1.160 14.247 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -24.594 0.572 16.237 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -23.507 -0.417 15.281 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -23.107 1.877 13.979 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -23.674 2.571 15.485 1.00 0.15 H new ATOM 1498 N GLN B 7 -24.505 1.411 12.147 1.00 0.15 N ATOM 1499 CA GLN B 7 -23.928 1.485 10.812 1.00 0.22 C ATOM 1500 C GLN B 7 -22.422 1.732 10.900 1.00 0.22 C ATOM 1501 O GLN B 7 -21.986 2.845 11.199 1.00 0.45 O ATOM 1502 CB GLN B 7 -24.604 2.590 10.000 1.00 0.57 C ATOM 1503 CG GLN B 7 -26.013 2.235 9.556 1.00 0.48 C ATOM 1504 CD GLN B 7 -26.738 3.396 8.910 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -27.969 3.468 8.938 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -25.987 4.318 8.329 1.00 0.86 N ATOM 0 H GLN B 7 -24.824 2.306 12.519 1.00 0.15 H new ATOM 0 HA GLN B 7 -24.095 0.534 10.306 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -24.638 3.501 10.597 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -23.998 2.808 9.121 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -25.968 1.404 8.852 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -26.584 1.891 10.418 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -24.972 4.222 8.327 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -26.424 5.125 7.883 1.00 0.86 H new ATOM 1515 N PRO B 8 -21.612 0.689 10.665 1.00 0.27 N ATOM 1516 CA PRO B 8 -20.163 0.770 10.724 1.00 0.51 C ATOM 1517 C PRO B 8 -19.531 0.960 9.347 1.00 0.35 C ATOM 1518 O PRO B 8 -20.229 1.196 8.356 1.00 0.14 O ATOM 1519 CB PRO B 8 -19.810 -0.601 11.297 1.00 0.80 C ATOM 1520 CG PRO B 8 -20.868 -1.528 10.774 1.00 0.79 C ATOM 1521 CD PRO B 8 -22.038 -0.675 10.330 1.00 0.38 C ATOM 0 HA PRO B 8 -19.802 1.619 11.305 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -18.817 -0.917 10.979 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -19.805 -0.583 12.387 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -20.485 -2.117 9.941 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -21.178 -2.232 11.546 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -22.233 -0.784 9.263 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -22.955 -0.949 10.851 1.00 0.38 H new ATOM 1529 N LYS B 9 -18.206 0.894 9.306 1.00 0.47 N ATOM 1530 CA LYS B 9 -17.452 1.026 8.069 1.00 0.33 C ATOM 1531 C LYS B 9 -17.939 0.010 7.030 1.00 0.35 C ATOM 1532 O LYS B 9 -18.052 -1.185 7.319 1.00 0.52 O ATOM 1533 CB LYS B 9 -15.953 0.844 8.349 1.00 0.23 C ATOM 1534 CG LYS B 9 -15.593 -0.524 8.920 1.00 0.28 C ATOM 1535 CD LYS B 9 -14.307 -0.484 9.736 1.00 0.35 C ATOM 1536 CE LYS B 9 -14.573 -0.185 11.205 1.00 0.69 C ATOM 1537 NZ LYS B 9 -13.342 -0.313 12.031 1.00 0.89 N1+ ATOM 0 H LYS B 9 -17.625 0.747 10.131 1.00 0.47 H new ATOM 0 HA LYS B 9 -17.612 2.025 7.663 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -15.399 0.998 7.423 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -15.627 1.615 9.047 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -16.409 -0.880 9.548 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -15.482 -1.239 8.105 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -13.792 -1.441 9.648 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -13.641 0.275 9.326 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -14.972 0.825 11.303 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -15.335 -0.867 11.582 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -13.567 -0.101 13.024 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -12.975 -1.283 11.958 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -12.623 0.356 11.689 1.00 0.89 H new ATOM 1551 N THR B 10 -18.240 0.490 5.832 1.00 0.33 N ATOM 1552 CA THR B 10 -18.729 -0.378 4.775 1.00 0.31 C ATOM 1553 C THR B 10 -17.599 -1.226 4.181 1.00 0.23 C ATOM 1554 O THR B 10 -16.432 -0.814 4.158 1.00 0.23 O ATOM 1555 CB THR B 10 -19.442 0.429 3.660 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.223 -0.446 2.837 1.00 0.42 O ATOM 1557 CG2 THR B 10 -18.450 1.194 2.791 1.00 0.28 C ATOM 0 H THR B 10 -18.154 1.472 5.570 1.00 0.33 H new ATOM 0 HA THR B 10 -19.459 -1.050 5.226 1.00 0.31 H new ATOM 0 HB THR B 10 -20.093 1.154 4.149 1.00 0.36 H new ATOM 0 HG1 THR B 10 -20.670 0.075 2.138 1.00 0.42 H new ATOM 0 HG21 THR B 10 -18.990 1.746 2.022 1.00 0.28 H new ATOM 0 HG22 THR B 10 -17.886 1.892 3.410 1.00 0.28 H new ATOM 0 HG23 THR B 10 -17.763 0.492 2.318 1.00 0.28 H new ATOM 1565 N ARG B 11 -17.956 -2.411 3.705 1.00 0.25 N ATOM 1566 CA ARG B 11 -16.997 -3.330 3.114 1.00 0.21 C ATOM 1567 C ARG B 11 -17.319 -3.542 1.638 1.00 0.27 C ATOM 1568 O ARG B 11 -18.477 -3.445 1.228 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.002 -4.670 3.868 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.335 -5.404 3.823 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.321 -6.651 4.695 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.577 -7.393 4.595 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.841 -8.521 5.258 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.955 -9.028 6.108 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.999 -9.138 5.076 1.00 1.72 N ATOM 0 H ARG B 11 -18.914 -2.760 3.718 1.00 0.25 H new ATOM 0 HA ARG B 11 -15.999 -2.898 3.195 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.230 -5.314 3.447 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.734 -4.490 4.909 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -19.130 -4.736 4.156 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.563 -5.682 2.794 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.493 -7.294 4.397 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -18.147 -6.368 5.733 1.00 0.68 H new ATOM 0 HE ARG B 11 -20.300 -7.024 3.977 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.064 -8.555 6.259 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.166 -9.890 6.610 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -21.687 -8.751 4.430 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -21.203 -10.000 5.582 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.297 -3.824 0.846 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.470 -4.030 -0.586 1.00 0.15 C ATOM 1591 C VAL B 12 -15.871 -5.368 -1.022 1.00 0.12 C ATOM 1592 O VAL B 12 -14.908 -5.858 -0.424 1.00 0.17 O ATOM 1593 CB VAL B 12 -15.832 -2.869 -1.394 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.313 -2.884 -1.279 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.264 -2.912 -2.854 1.00 0.25 C ATOM 0 H VAL B 12 -15.334 -3.916 1.171 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.540 -4.047 -0.792 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.191 -1.934 -0.963 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -13.896 -2.059 -1.856 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.026 -2.777 -0.233 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -13.928 -3.828 -1.666 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -15.801 -2.087 -3.395 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -15.952 -3.857 -3.298 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.349 -2.823 -2.915 1.00 0.25 H new ATOM 1605 N SER B 13 -16.470 -5.969 -2.039 1.00 0.09 N ATOM 1606 CA SER B 13 -16.001 -7.237 -2.567 1.00 0.12 C ATOM 1607 C SER B 13 -15.290 -7.019 -3.904 1.00 0.18 C ATOM 1608 O SER B 13 -15.874 -6.484 -4.848 1.00 0.48 O ATOM 1609 CB SER B 13 -17.185 -8.190 -2.740 1.00 0.12 C ATOM 1610 OG SER B 13 -18.067 -8.097 -1.632 1.00 0.38 O ATOM 0 H SER B 13 -17.289 -5.593 -2.517 1.00 0.09 H new ATOM 0 HA SER B 13 -15.291 -7.678 -1.867 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.720 -7.951 -3.659 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.824 -9.214 -2.839 1.00 0.12 H new ATOM 0 HG SER B 13 -18.819 -8.712 -1.760 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.026 -7.415 -3.977 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.239 -7.252 -5.195 1.00 0.13 C ATOM 1618 C VAL B 14 -12.535 -8.557 -5.541 1.00 0.09 C ATOM 1619 O VAL B 14 -12.556 -9.500 -4.756 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.185 -6.130 -5.056 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -12.857 -4.771 -4.918 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.265 -6.396 -3.874 1.00 0.17 C ATOM 0 H VAL B 14 -13.522 -7.853 -3.206 1.00 0.14 H new ATOM 0 HA VAL B 14 -13.930 -6.975 -5.991 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.580 -6.121 -5.963 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.096 -3.997 -4.822 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.465 -4.574 -5.801 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.492 -4.768 -4.032 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.532 -5.593 -3.796 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -11.854 -6.440 -2.958 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.750 -7.345 -4.020 1.00 0.17 H new ATOM 1632 N ARG B 15 -11.908 -8.609 -6.708 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.201 -9.808 -7.135 1.00 0.12 C ATOM 1634 C ARG B 15 -9.759 -9.474 -7.504 1.00 0.08 C ATOM 1635 O ARG B 15 -9.510 -8.590 -8.320 1.00 0.12 O ATOM 1636 CB ARG B 15 -11.924 -10.451 -8.321 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.286 -11.750 -8.783 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.323 -12.724 -9.318 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.020 -12.201 -10.489 1.00 0.23 N ATOM 1640 CZ ARG B 15 -13.526 -12.960 -11.458 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -13.443 -14.284 -11.389 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -14.132 -12.395 -12.491 1.00 0.33 N ATOM 0 H ARG B 15 -11.874 -7.837 -7.374 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.187 -10.519 -6.309 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -12.961 -10.642 -8.045 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -11.940 -9.747 -9.153 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.550 -11.539 -9.559 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -10.750 -12.208 -7.952 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -11.836 -13.664 -9.577 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -13.048 -12.946 -8.535 1.00 0.37 H new ATOM 0 HE ARG B 15 -13.126 -11.190 -10.570 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -12.989 -14.726 -10.589 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -13.833 -14.859 -12.136 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -14.210 -11.379 -12.543 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -14.520 -12.975 -13.234 1.00 0.33 H new ATOM 1656 N ILE B 16 -8.815 -10.171 -6.880 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.399 -9.956 -7.140 1.00 0.08 C ATOM 1658 C ILE B 16 -6.695 -11.292 -7.357 1.00 0.13 C ATOM 1659 O ILE B 16 -6.885 -12.231 -6.582 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.717 -9.204 -5.972 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.429 -7.872 -5.705 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.242 -8.969 -6.278 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.151 -7.295 -4.333 1.00 0.15 C ATOM 0 H ILE B 16 -9.009 -10.894 -6.187 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.319 -9.345 -8.039 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.789 -9.820 -5.075 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.123 -7.149 -6.462 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.504 -8.016 -5.817 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -4.778 -8.439 -5.446 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -4.743 -9.927 -6.421 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.149 -8.372 -7.185 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -7.689 -6.354 -4.218 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.483 -7.998 -3.569 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.081 -7.117 -4.223 1.00 0.15 H new ATOM 1675 N TYR B 17 -5.913 -11.370 -8.434 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.156 -12.572 -8.792 1.00 0.25 C ATOM 1677 C TYR B 17 -6.077 -13.757 -9.105 1.00 0.24 C ATOM 1678 O TYR B 17 -5.643 -14.909 -9.107 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.172 -12.943 -7.676 1.00 0.29 C ATOM 1680 CG TYR B 17 -2.851 -13.487 -8.179 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -1.909 -12.645 -8.759 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.544 -14.838 -8.070 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -0.699 -13.136 -9.216 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.337 -15.335 -8.524 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.417 -14.480 -9.096 1.00 0.26 C ATOM 1686 OH TYR B 17 0.786 -14.972 -9.548 1.00 0.34 O ATOM 0 H TYR B 17 -5.786 -10.597 -9.087 1.00 0.18 H new ATOM 0 HA TYR B 17 -4.595 -12.343 -9.698 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -3.981 -12.061 -7.065 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.636 -13.686 -7.027 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.125 -11.591 -8.854 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -3.261 -15.511 -7.623 1.00 0.27 H new ATOM 0 HE1 TYR B 17 0.022 -12.469 -9.665 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -1.115 -16.388 -8.432 1.00 0.31 H new ATOM 0 HH TYR B 17 0.826 -15.938 -9.387 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.341 -13.470 -9.392 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.290 -14.523 -9.714 1.00 0.22 C ATOM 1698 C GLY B 18 -9.064 -15.027 -8.509 1.00 0.22 C ATOM 1699 O GLY B 18 -9.699 -16.082 -8.571 1.00 0.24 O ATOM 0 H GLY B 18 -7.728 -12.526 -9.408 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -8.994 -14.152 -10.459 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -7.755 -15.357 -10.168 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.007 -14.290 -7.409 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.722 -14.674 -6.198 1.00 0.21 C ATOM 1705 C GLN B 19 -10.474 -13.476 -5.631 1.00 0.18 C ATOM 1706 O GLN B 19 -9.945 -12.364 -5.599 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.751 -15.238 -5.157 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.173 -16.594 -5.534 1.00 0.56 C ATOM 1709 CD GLN B 19 -9.174 -17.720 -5.368 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -9.208 -18.386 -4.333 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -10.003 -17.933 -6.374 1.00 1.36 N ATOM 0 H GLN B 19 -8.474 -13.424 -7.329 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.443 -15.452 -6.451 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.934 -14.531 -5.014 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.267 -15.326 -4.201 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -7.833 -16.565 -6.569 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -7.298 -16.796 -4.916 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -9.943 -17.359 -7.215 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -10.704 -18.671 -6.310 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.706 -13.696 -5.201 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.523 -12.618 -4.649 1.00 0.24 C ATOM 1722 C ASP B 20 -12.285 -12.459 -3.149 1.00 0.23 C ATOM 1723 O ASP B 20 -12.201 -13.444 -2.411 1.00 0.23 O ATOM 1724 CB ASP B 20 -14.013 -12.852 -4.936 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.616 -13.990 -4.134 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.347 -15.164 -4.464 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.383 -13.716 -3.190 1.00 1.64 O ATOM 0 H ASP B 20 -12.165 -14.607 -5.222 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.222 -11.693 -5.140 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.564 -11.936 -4.721 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.141 -13.060 -5.998 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.169 -11.213 -2.710 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.923 -10.913 -1.308 1.00 0.22 C ATOM 1734 C TYR B 21 -12.846 -9.805 -0.820 1.00 0.24 C ATOM 1735 O TYR B 21 -13.433 -9.067 -1.618 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.463 -10.502 -1.097 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.470 -11.564 -1.508 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.314 -12.718 -0.754 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.693 -11.413 -2.648 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -8.410 -13.694 -1.126 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -7.787 -12.384 -3.027 1.00 0.15 C ATOM 1742 CZ TYR B 21 -7.650 -13.522 -2.262 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.744 -14.488 -2.633 1.00 0.14 O ATOM 0 H TYR B 21 -12.242 -10.391 -3.309 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.126 -11.815 -0.731 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.265 -9.592 -1.664 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.310 -10.262 -0.045 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.908 -12.855 0.137 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -8.799 -10.522 -3.249 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -8.300 -14.587 -0.529 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -7.190 -12.252 -3.917 1.00 0.15 H new ATOM 0 HH TYR B 21 -6.291 -14.212 -3.457 1.00 0.14 H new ATOM 1753 N THR B 22 -12.967 -9.696 0.493 1.00 0.18 N ATOM 1754 CA THR B 22 -13.806 -8.683 1.110 1.00 0.18 C ATOM 1755 C THR B 22 -12.990 -7.824 2.071 1.00 0.16 C ATOM 1756 O THR B 22 -12.397 -8.339 3.022 1.00 0.21 O ATOM 1757 CB THR B 22 -14.969 -9.340 1.875 1.00 0.20 C ATOM 1758 OG1 THR B 22 -14.529 -10.578 2.455 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.155 -9.593 0.956 1.00 0.26 C ATOM 0 H THR B 22 -12.489 -10.304 1.158 1.00 0.18 H new ATOM 0 HA THR B 22 -14.208 -8.051 0.318 1.00 0.18 H new ATOM 0 HB THR B 22 -15.289 -8.659 2.664 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.271 -10.993 2.943 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.962 -10.058 1.523 1.00 0.26 H new ATOM 0 HG22 THR B 22 -16.502 -8.647 0.540 1.00 0.26 H new ATOM 0 HG23 THR B 22 -15.852 -10.256 0.146 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.961 -6.520 1.827 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.201 -5.601 2.668 1.00 0.11 C ATOM 1769 C ILE B 23 -13.002 -4.336 2.931 1.00 0.14 C ATOM 1770 O ILE B 23 -14.071 -4.141 2.351 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.830 -5.206 2.053 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.007 -4.448 0.719 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.929 -6.428 1.894 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.235 -5.315 -0.507 1.00 0.08 C ATOM 0 H ILE B 23 -13.455 -6.074 1.054 1.00 0.11 H new ATOM 0 HA ILE B 23 -12.008 -6.133 3.600 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.338 -4.523 2.745 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -11.850 -3.765 0.820 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -10.120 -3.837 0.549 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.976 -6.124 1.462 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.756 -6.882 2.870 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.411 -7.152 1.237 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.346 -4.680 -1.386 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.383 -5.981 -0.645 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -12.140 -5.907 -0.371 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.481 -3.485 3.799 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.142 -2.235 4.144 1.00 0.17 C ATOM 1788 C VAL B 24 -12.870 -1.171 3.081 1.00 0.22 C ATOM 1789 O VAL B 24 -11.722 -0.955 2.690 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.672 -1.714 5.518 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.359 -0.399 5.861 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.934 -2.750 6.600 1.00 0.18 C ATOM 0 H VAL B 24 -11.595 -3.638 4.282 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.212 -2.435 4.192 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.598 -1.534 5.465 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.012 -0.050 6.834 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.119 0.346 5.102 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.438 -0.550 5.893 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.596 -2.365 7.562 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.002 -2.963 6.649 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.392 -3.666 6.365 1.00 0.18 H new ATOM 1802 N GLY B 25 -13.927 -0.513 2.621 1.00 0.21 N ATOM 1803 CA GLY B 25 -13.785 0.520 1.613 1.00 0.27 C ATOM 1804 C GLY B 25 -14.691 1.698 1.891 1.00 0.07 C ATOM 1805 O GLY B 25 -15.459 2.122 1.028 1.00 0.28 O ATOM 0 H GLY B 25 -14.885 -0.678 2.930 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -12.749 0.857 1.580 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.017 0.106 0.632 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.610 2.220 3.105 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.437 3.348 3.508 1.00 0.36 C ATOM 1811 C ALA B 26 -14.831 4.678 3.069 1.00 0.34 C ATOM 1812 O ALA B 26 -14.359 5.461 3.896 1.00 0.57 O ATOM 1813 CB ALA B 26 -15.657 3.326 5.012 1.00 0.61 C ATOM 0 H ALA B 26 -13.979 1.880 3.830 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.401 3.252 3.009 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -16.277 4.175 5.301 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -16.157 2.399 5.293 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -14.695 3.389 5.521 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.840 4.918 1.766 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.307 6.149 1.211 1.00 0.06 C ATOM 1821 C GLU B 27 -15.082 6.538 -0.053 1.00 0.07 C ATOM 1822 O GLU B 27 -15.854 7.497 -0.045 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.805 5.997 0.929 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.184 7.194 0.230 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.395 6.788 -0.994 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -11.939 6.039 -1.826 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -10.233 7.214 -1.130 1.00 2.18 O ATOM 0 H GLU B 27 -15.213 4.271 1.071 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.429 6.953 1.937 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.284 5.829 1.871 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.649 5.110 0.316 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.969 7.892 -0.060 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.530 7.721 0.925 1.00 0.97 H new ATOM 1834 N SER B 28 -14.881 5.791 -1.133 1.00 0.08 N ATOM 1835 CA SER B 28 -15.571 6.046 -2.392 1.00 0.11 C ATOM 1836 C SER B 28 -15.619 4.764 -3.225 1.00 0.14 C ATOM 1837 O SER B 28 -14.580 4.192 -3.545 1.00 0.14 O ATOM 1838 CB SER B 28 -14.881 7.174 -3.169 1.00 0.16 C ATOM 1839 OG SER B 28 -15.053 8.422 -2.516 1.00 0.98 O ATOM 0 H SER B 28 -14.240 4.998 -1.161 1.00 0.08 H new ATOM 0 HA SER B 28 -16.591 6.364 -2.177 1.00 0.11 H new ATOM 0 HB2 SER B 28 -13.818 6.955 -3.267 1.00 0.16 H new ATOM 0 HB3 SER B 28 -15.290 7.228 -4.178 1.00 0.16 H new ATOM 0 HG SER B 28 -15.424 8.275 -1.621 1.00 0.98 H new ATOM 1845 N PRO B 29 -16.830 4.301 -3.585 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.026 3.065 -4.359 1.00 0.21 C ATOM 1847 C PRO B 29 -16.177 2.988 -5.632 1.00 0.18 C ATOM 1848 O PRO B 29 -15.596 1.944 -5.932 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.521 3.081 -4.720 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.024 4.435 -4.343 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.111 4.947 -3.267 1.00 0.18 C ATOM 0 HA PRO B 29 -16.718 2.198 -3.774 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -18.667 2.893 -5.784 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.060 2.301 -4.182 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.021 5.103 -5.204 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.052 4.381 -3.985 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.031 6.034 -3.289 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.465 4.673 -2.273 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.100 4.086 -6.371 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.327 4.108 -7.608 1.00 0.16 C ATOM 1861 C ALA B 30 -13.829 4.162 -7.329 1.00 0.10 C ATOM 1862 O ALA B 30 -13.029 3.550 -8.036 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.742 5.285 -8.469 1.00 0.20 C ATOM 0 H ALA B 30 -16.559 4.967 -6.139 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.535 3.183 -8.146 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.156 5.288 -9.388 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.801 5.201 -8.714 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.568 6.213 -7.925 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.461 4.890 -6.286 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.058 5.046 -5.909 1.00 0.13 C ATOM 1871 C HIS B 31 -11.484 3.730 -5.389 1.00 0.07 C ATOM 1872 O HIS B 31 -10.381 3.340 -5.757 1.00 0.05 O ATOM 1873 CB HIS B 31 -11.926 6.137 -4.842 1.00 0.20 C ATOM 1874 CG HIS B 31 -10.639 6.903 -4.890 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -9.931 7.254 -3.764 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -9.957 7.421 -5.935 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -8.873 7.957 -4.112 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -8.861 8.075 -5.429 1.00 1.22 N ATOM 0 H HIS B 31 -14.115 5.386 -5.681 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.492 5.337 -6.794 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.755 6.837 -4.952 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -12.024 5.679 -3.858 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -10.186 7.008 -2.808 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -10.225 7.336 -6.978 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -8.139 8.368 -3.435 1.00 0.48 H new ATOM 1887 N ILE B 32 -12.248 3.044 -4.546 1.00 0.08 N ATOM 1888 CA ILE B 32 -11.812 1.770 -3.973 1.00 0.08 C ATOM 1889 C ILE B 32 -11.861 0.643 -5.005 1.00 0.07 C ATOM 1890 O ILE B 32 -11.249 -0.408 -4.817 1.00 0.14 O ATOM 1891 CB ILE B 32 -12.655 1.371 -2.735 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.111 1.076 -3.137 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -12.591 2.471 -1.681 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -14.989 0.611 -1.996 1.00 0.10 C ATOM 0 H ILE B 32 -13.173 3.347 -4.242 1.00 0.08 H new ATOM 0 HA ILE B 32 -10.779 1.916 -3.656 1.00 0.08 H new ATOM 0 HB ILE B 32 -12.238 0.459 -2.308 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -14.546 1.977 -3.571 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.113 0.314 -3.916 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.187 2.181 -0.815 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -11.556 2.622 -1.375 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -12.985 3.398 -2.098 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -15.998 0.426 -2.365 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -14.582 -0.308 -1.575 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.021 1.380 -1.225 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.573 0.867 -6.102 1.00 0.07 N ATOM 1907 CA ARG B 33 -12.694 -0.148 -7.142 1.00 0.05 C ATOM 1908 C ARG B 33 -11.402 -0.261 -7.941 1.00 0.04 C ATOM 1909 O ARG B 33 -10.979 -1.363 -8.302 1.00 0.05 O ATOM 1910 CB ARG B 33 -13.865 0.159 -8.081 1.00 0.07 C ATOM 1911 CG ARG B 33 -14.682 -1.069 -8.444 1.00 0.59 C ATOM 1912 CD ARG B 33 -15.567 -1.501 -7.287 1.00 0.36 C ATOM 1913 NE ARG B 33 -15.792 -2.947 -7.277 1.00 0.42 N ATOM 1914 CZ ARG B 33 -16.998 -3.520 -7.274 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.095 -2.779 -7.388 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -17.108 -4.837 -7.181 1.00 1.46 N ATOM 0 H ARG B 33 -13.072 1.735 -6.295 1.00 0.07 H new ATOM 0 HA ARG B 33 -12.887 -1.101 -6.650 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.517 0.894 -7.609 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -13.480 0.614 -8.994 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.299 -0.854 -9.317 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.014 -1.885 -8.719 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.106 -1.200 -6.346 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.525 -0.986 -7.352 1.00 0.36 H new ATOM 0 HE ARG B 33 -14.974 -3.557 -7.272 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.019 -1.766 -7.479 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.013 -3.223 -7.385 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -16.271 -5.415 -7.112 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -18.030 -5.273 -7.179 1.00 1.46 H new ATOM 1930 N LEU B 34 -10.769 0.876 -8.207 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.527 0.888 -8.969 1.00 0.09 C ATOM 1932 C LEU B 34 -8.364 0.382 -8.122 1.00 0.08 C ATOM 1933 O LEU B 34 -7.339 -0.040 -8.650 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.235 2.291 -9.519 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.016 3.391 -8.476 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.531 3.589 -8.198 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.647 4.693 -8.947 1.00 0.14 C ATOM 0 H LEU B 34 -11.093 1.796 -7.908 1.00 0.06 H new ATOM 0 HA LEU B 34 -9.645 0.213 -9.816 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.348 2.235 -10.150 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.064 2.587 -10.161 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.495 3.083 -7.547 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.402 4.375 -7.454 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.104 2.659 -7.821 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.023 3.874 -9.119 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.485 5.468 -8.198 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.191 4.998 -9.889 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.717 4.547 -9.092 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.540 0.413 -6.804 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.514 -0.047 -5.878 1.00 0.08 C ATOM 1951 C VAL B 35 -7.167 -1.508 -6.139 1.00 0.08 C ATOM 1952 O VAL B 35 -5.994 -1.872 -6.241 1.00 0.11 O ATOM 1953 CB VAL B 35 -7.972 0.125 -4.414 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -6.957 -0.459 -3.450 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.208 1.594 -4.104 1.00 0.09 C ATOM 0 H VAL B 35 -9.389 0.754 -6.353 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.626 0.563 -6.041 1.00 0.08 H new ATOM 0 HB VAL B 35 -8.909 -0.418 -4.288 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.307 -0.323 -2.427 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.833 -1.523 -3.653 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.001 0.049 -3.577 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -8.531 1.700 -3.068 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -7.283 2.151 -4.255 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -8.980 1.986 -4.766 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.196 -2.335 -6.272 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.006 -3.757 -6.525 1.00 0.07 C ATOM 1967 C ALA B 36 -7.292 -3.986 -7.852 1.00 0.09 C ATOM 1968 O ALA B 36 -6.404 -4.831 -7.951 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.347 -4.474 -6.509 1.00 0.08 C ATOM 0 H ALA B 36 -9.172 -2.045 -6.209 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.379 -4.166 -5.733 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.194 -5.536 -6.699 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -9.818 -4.344 -5.534 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -9.992 -4.056 -7.282 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.668 -3.205 -8.860 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.068 -3.320 -10.184 1.00 0.15 C ATOM 1977 C ALA B 37 -5.610 -2.870 -10.166 1.00 0.17 C ATOM 1978 O ALA B 37 -4.778 -3.392 -10.911 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.864 -2.509 -11.195 1.00 0.21 C ATOM 0 H ALA B 37 -8.386 -2.485 -8.785 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.092 -4.369 -10.479 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.405 -2.603 -12.179 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.888 -2.881 -11.235 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.870 -1.461 -10.897 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.309 -1.898 -9.319 1.00 0.16 N ATOM 1986 CA PHE B 38 -3.952 -1.382 -9.191 1.00 0.18 C ATOM 1987 C PHE B 38 -3.044 -2.450 -8.578 1.00 0.15 C ATOM 1988 O PHE B 38 -1.913 -2.657 -9.026 1.00 0.16 O ATOM 1989 CB PHE B 38 -3.959 -0.109 -8.331 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.614 0.546 -8.166 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -1.777 0.740 -9.255 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -2.188 0.970 -6.918 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -0.544 1.343 -9.101 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -0.954 1.575 -6.757 1.00 0.36 C ATOM 1995 CZ PHE B 38 -0.130 1.761 -7.852 1.00 0.14 C ATOM 0 H PHE B 38 -5.989 -1.448 -8.706 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.565 -1.129 -10.178 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.646 0.610 -8.777 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.351 -0.356 -7.344 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.093 0.416 -10.235 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -2.827 0.827 -6.059 1.00 0.37 H new ATOM 0 HE1 PHE B 38 0.097 1.488 -9.958 1.00 0.27 H new ATOM 0 HE2 PHE B 38 -0.635 1.901 -5.778 1.00 0.36 H new ATOM 0 HZ PHE B 38 0.834 2.232 -7.730 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.555 -3.140 -7.563 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.796 -4.194 -6.897 1.00 0.14 C ATOM 2007 C VAL B 39 -2.666 -5.414 -7.804 1.00 0.14 C ATOM 2008 O VAL B 39 -1.589 -6.001 -7.920 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.461 -4.608 -5.566 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.679 -5.726 -4.888 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.590 -3.407 -4.644 1.00 0.22 C ATOM 0 H VAL B 39 -4.490 -2.989 -7.184 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.804 -3.798 -6.680 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.459 -4.985 -5.787 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.169 -5.998 -3.953 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.643 -6.595 -5.545 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.664 -5.386 -4.680 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.060 -3.714 -3.710 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.600 -3.001 -4.435 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.202 -2.644 -5.124 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.767 -5.773 -8.453 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.799 -6.920 -9.359 1.00 0.21 C ATOM 2023 C ASP B 40 -2.746 -6.781 -10.455 1.00 0.27 C ATOM 2024 O ASP B 40 -2.039 -7.740 -10.774 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.192 -7.062 -9.981 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.280 -8.214 -10.963 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.237 -9.386 -10.523 1.00 0.32 O1- ATOM 2028 OD2 ASP B 40 -5.394 -7.953 -12.180 1.00 0.47 O ATOM 0 H ASP B 40 -4.658 -5.283 -8.369 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.573 -7.816 -8.782 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -5.926 -7.209 -9.189 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.454 -6.135 -10.491 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.632 -5.580 -11.011 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.657 -5.308 -12.064 1.00 0.37 C ATOM 2035 C ASP B 41 -0.235 -5.459 -11.531 1.00 0.32 C ATOM 2036 O ASP B 41 0.617 -6.088 -12.164 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.853 -3.892 -12.610 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.955 -3.586 -13.795 1.00 0.78 C ATOM 2039 OD1 ASP B 41 0.250 -3.313 -13.587 1.00 0.92 O ATOM 2040 OD2 ASP B 41 -1.455 -3.595 -14.939 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.204 -4.777 -10.750 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.810 -6.029 -12.867 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.894 -3.763 -12.907 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -1.656 -3.171 -11.816 1.00 0.46 H new ATOM 2045 N LYS B 42 0.007 -4.892 -10.354 1.00 0.28 N ATOM 2046 CA LYS B 42 1.323 -4.947 -9.723 1.00 0.24 C ATOM 2047 C LYS B 42 1.725 -6.388 -9.402 1.00 0.20 C ATOM 2048 O LYS B 42 2.893 -6.759 -9.521 1.00 0.18 O ATOM 2049 CB LYS B 42 1.338 -4.084 -8.458 1.00 0.24 C ATOM 2050 CG LYS B 42 2.734 -3.837 -7.910 1.00 0.21 C ATOM 2051 CD LYS B 42 2.810 -2.534 -7.132 1.00 0.40 C ATOM 2052 CE LYS B 42 2.998 -1.338 -8.056 1.00 0.55 C ATOM 2053 NZ LYS B 42 4.295 -1.396 -8.784 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.695 -4.386 -9.814 1.00 0.28 H new ATOM 0 HA LYS B 42 2.055 -4.550 -10.426 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.867 -3.126 -8.676 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.735 -4.568 -7.690 1.00 0.24 H new ATOM 0 HG2 LYS B 42 3.022 -4.665 -7.262 1.00 0.21 H new ATOM 0 HG3 LYS B 42 3.449 -3.812 -8.733 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.898 -2.404 -6.549 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.637 -2.581 -6.424 1.00 0.40 H new ATOM 0 HE2 LYS B 42 2.180 -1.303 -8.775 1.00 0.55 H new ATOM 0 HE3 LYS B 42 2.950 -0.418 -7.473 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.486 -0.474 -9.226 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 5.058 -1.624 -8.116 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 4.248 -2.130 -9.519 1.00 0.48 H new ATOM 2067 N MET B 43 0.759 -7.208 -9.008 1.00 0.21 N ATOM 2068 CA MET B 43 1.036 -8.608 -8.693 1.00 0.19 C ATOM 2069 C MET B 43 1.522 -9.341 -9.934 1.00 0.17 C ATOM 2070 O MET B 43 2.348 -10.244 -9.847 1.00 0.18 O ATOM 2071 CB MET B 43 -0.211 -9.309 -8.148 1.00 0.24 C ATOM 2072 CG MET B 43 -0.689 -8.770 -6.812 1.00 0.25 C ATOM 2073 SD MET B 43 0.158 -9.527 -5.412 1.00 0.31 S ATOM 2074 CE MET B 43 -0.529 -11.184 -5.465 1.00 0.24 C ATOM 0 H MET B 43 -0.217 -6.933 -8.899 1.00 0.21 H new ATOM 0 HA MET B 43 1.812 -8.629 -7.928 1.00 0.19 H new ATOM 0 HB2 MET B 43 -1.017 -9.213 -8.876 1.00 0.24 H new ATOM 0 HB3 MET B 43 -0.001 -10.373 -8.044 1.00 0.24 H new ATOM 0 HG2 MET B 43 -0.535 -7.691 -6.784 1.00 0.25 H new ATOM 0 HG3 MET B 43 -1.761 -8.942 -6.718 1.00 0.25 H new ATOM 0 HE1 MET B 43 -0.527 -11.611 -4.462 1.00 0.24 H new ATOM 0 HE2 MET B 43 -1.552 -11.142 -5.840 1.00 0.24 H new ATOM 0 HE3 MET B 43 0.074 -11.807 -6.125 1.00 0.24 H new ATOM 2084 N HIS B 44 1.029 -8.919 -11.092 1.00 0.16 N ATOM 2085 CA HIS B 44 1.399 -9.546 -12.354 1.00 0.19 C ATOM 2086 C HIS B 44 2.749 -9.031 -12.858 1.00 0.25 C ATOM 2087 O HIS B 44 3.298 -9.567 -13.820 1.00 0.61 O ATOM 2088 CB HIS B 44 0.312 -9.305 -13.404 1.00 0.26 C ATOM 2089 CG HIS B 44 0.298 -10.318 -14.511 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -0.467 -11.463 -14.476 1.00 0.54 N ATOM 2091 CD2 HIS B 44 0.963 -10.351 -15.691 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -0.271 -12.154 -15.581 1.00 1.18 C ATOM 2093 NE2 HIS B 44 0.591 -11.501 -16.340 1.00 1.53 N ATOM 0 H HIS B 44 0.371 -8.145 -11.183 1.00 0.16 H new ATOM 0 HA HIS B 44 1.494 -10.618 -12.181 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.661 -9.306 -12.912 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.450 -8.313 -13.835 1.00 0.26 H new ATOM 0 HD2 HIS B 44 1.658 -9.608 -16.054 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -0.737 -13.097 -15.825 1.00 1.18 H new ATOM 0 HE2 HIS B 44 0.924 -11.802 -17.256 1.00 1.53 H new ATOM 2102 N GLU B 45 3.280 -7.991 -12.224 1.00 0.14 N ATOM 2103 CA GLU B 45 4.575 -7.443 -12.628 1.00 0.11 C ATOM 2104 C GLU B 45 5.695 -8.014 -11.755 1.00 0.07 C ATOM 2105 O GLU B 45 6.864 -8.034 -12.150 1.00 0.03 O ATOM 2106 CB GLU B 45 4.567 -5.905 -12.561 1.00 0.10 C ATOM 2107 CG GLU B 45 4.954 -5.335 -11.200 1.00 0.07 C ATOM 2108 CD GLU B 45 5.066 -3.825 -11.199 1.00 0.22 C ATOM 2109 OE1 GLU B 45 6.137 -3.304 -11.576 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 4.092 -3.150 -10.804 1.00 0.49 O ATOM 0 H GLU B 45 2.842 -7.513 -11.437 1.00 0.14 H new ATOM 0 HA GLU B 45 4.759 -7.735 -13.662 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.253 -5.516 -13.313 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.571 -5.547 -12.822 1.00 0.10 H new ATOM 0 HG2 GLU B 45 4.212 -5.639 -10.461 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.907 -5.764 -10.890 1.00 0.07 H new ATOM 2117 N PHE B 46 5.333 -8.493 -10.568 1.00 0.11 N ATOM 2118 CA PHE B 46 6.310 -9.057 -9.646 1.00 0.10 C ATOM 2119 C PHE B 46 6.305 -10.582 -9.690 1.00 0.10 C ATOM 2120 O PHE B 46 7.210 -11.226 -9.161 1.00 0.11 O ATOM 2121 CB PHE B 46 6.047 -8.565 -8.222 1.00 0.11 C ATOM 2122 CG PHE B 46 6.699 -7.248 -7.922 1.00 0.13 C ATOM 2123 CD1 PHE B 46 8.027 -7.193 -7.541 1.00 0.16 C ATOM 2124 CD2 PHE B 46 5.985 -6.067 -8.020 1.00 0.14 C ATOM 2125 CE1 PHE B 46 8.634 -5.984 -7.262 1.00 0.17 C ATOM 2126 CE2 PHE B 46 6.584 -4.854 -7.744 1.00 0.14 C ATOM 2127 CZ PHE B 46 7.911 -4.815 -7.364 1.00 0.15 C ATOM 0 H PHE B 46 4.373 -8.501 -10.224 1.00 0.11 H new ATOM 0 HA PHE B 46 7.297 -8.718 -9.960 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.972 -8.474 -8.069 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.408 -9.311 -7.514 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.597 -8.107 -7.461 1.00 0.16 H new ATOM 0 HD2 PHE B 46 4.947 -6.094 -8.316 1.00 0.14 H new ATOM 0 HE1 PHE B 46 9.672 -5.955 -6.965 1.00 0.17 H new ATOM 0 HE2 PHE B 46 6.017 -3.939 -7.825 1.00 0.14 H new ATOM 0 HZ PHE B 46 8.383 -3.868 -7.147 1.00 0.15 H new ATOM 2137 N SER B 47 5.299 -11.153 -10.341 1.00 0.09 N ATOM 2138 CA SER B 47 5.189 -12.600 -10.460 1.00 0.10 C ATOM 2139 C SER B 47 6.347 -13.160 -11.282 1.00 0.09 C ATOM 2140 O SER B 47 6.735 -14.318 -11.126 1.00 0.13 O ATOM 2141 CB SER B 47 3.855 -12.961 -11.107 1.00 0.13 C ATOM 2142 OG SER B 47 3.481 -11.979 -12.056 1.00 0.49 O ATOM 0 H SER B 47 4.547 -10.634 -10.795 1.00 0.09 H new ATOM 0 HA SER B 47 5.234 -13.041 -9.464 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.931 -13.934 -11.593 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.084 -13.047 -10.341 1.00 0.13 H new ATOM 0 HG SER B 47 2.824 -12.357 -12.677 1.00 0.49 H new ATOM 2148 N GLU B 48 6.901 -12.320 -12.153 1.00 0.13 N ATOM 2149 CA GLU B 48 8.025 -12.712 -13.000 1.00 0.12 C ATOM 2150 C GLU B 48 9.350 -12.612 -12.241 1.00 0.09 C ATOM 2151 O GLU B 48 10.394 -13.032 -12.739 1.00 0.07 O ATOM 2152 CB GLU B 48 8.070 -11.850 -14.270 1.00 0.15 C ATOM 2153 CG GLU B 48 8.308 -10.367 -14.016 1.00 0.17 C ATOM 2154 CD GLU B 48 9.730 -9.943 -14.327 1.00 0.71 C ATOM 2155 OE1 GLU B 48 10.112 -9.940 -15.513 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 10.474 -9.609 -13.379 1.00 1.67 O ATOM 0 H GLU B 48 6.588 -11.359 -12.291 1.00 0.13 H new ATOM 0 HA GLU B 48 7.879 -13.753 -13.289 1.00 0.12 H new ATOM 0 HB2 GLU B 48 8.859 -12.226 -14.922 1.00 0.15 H new ATOM 0 HB3 GLU B 48 7.129 -11.968 -14.808 1.00 0.15 H new ATOM 0 HG2 GLU B 48 7.617 -9.783 -14.624 1.00 0.17 H new ATOM 0 HG3 GLU B 48 8.085 -10.140 -12.973 1.00 0.17 H new ATOM 2163 N LYS B 49 9.303 -12.045 -11.039 1.00 0.10 N ATOM 2164 CA LYS B 49 10.498 -11.901 -10.216 1.00 0.10 C ATOM 2165 C LYS B 49 10.815 -13.221 -9.534 1.00 0.15 C ATOM 2166 O LYS B 49 11.972 -13.631 -9.471 1.00 0.23 O ATOM 2167 CB LYS B 49 10.310 -10.796 -9.169 1.00 0.09 C ATOM 2168 CG LYS B 49 10.081 -9.412 -9.763 1.00 0.12 C ATOM 2169 CD LYS B 49 11.364 -8.812 -10.311 1.00 0.05 C ATOM 2170 CE LYS B 49 11.133 -7.409 -10.852 1.00 1.11 C ATOM 2171 NZ LYS B 49 10.107 -7.388 -11.929 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.451 -11.678 -10.614 1.00 0.10 H new ATOM 0 HA LYS B 49 11.331 -11.620 -10.860 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.462 -11.052 -8.534 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.191 -10.764 -8.528 1.00 0.09 H new ATOM 0 HG2 LYS B 49 9.341 -9.477 -10.561 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.669 -8.753 -8.999 1.00 0.12 H new ATOM 0 HD2 LYS B 49 12.118 -8.781 -9.524 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.756 -9.449 -11.104 1.00 0.05 H new ATOM 0 HE2 LYS B 49 10.819 -6.754 -10.039 1.00 1.11 H new ATOM 0 HE3 LYS B 49 12.071 -7.010 -11.238 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 10.421 -6.758 -12.695 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 9.976 -8.350 -12.303 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 9.206 -7.041 -11.543 1.00 1.14 H new ATOM 2185 N GLN B 50 9.763 -13.872 -9.032 1.00 0.20 N ATOM 2186 CA GLN B 50 9.875 -15.166 -8.357 1.00 0.30 C ATOM 2187 C GLN B 50 10.996 -15.186 -7.315 1.00 0.13 C ATOM 2188 O GLN B 50 12.078 -15.720 -7.571 1.00 0.29 O ATOM 2189 CB GLN B 50 10.094 -16.275 -9.388 1.00 0.53 C ATOM 2190 CG GLN B 50 8.834 -16.656 -10.151 1.00 1.05 C ATOM 2191 CD GLN B 50 9.072 -16.811 -11.641 1.00 1.30 C ATOM 2192 OE1 GLN B 50 9.939 -16.153 -12.216 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.301 -17.679 -12.277 1.00 1.60 N ATOM 0 H GLN B 50 8.809 -13.516 -9.082 1.00 0.20 H new ATOM 0 HA GLN B 50 8.939 -15.337 -7.825 1.00 0.30 H new ATOM 0 HB2 GLN B 50 10.856 -15.954 -10.099 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.483 -17.158 -8.882 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.442 -17.591 -9.751 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.071 -15.895 -9.987 1.00 1.05 H new ATOM 0 HE21 GLN B 50 7.594 -18.205 -11.763 1.00 1.60 H new ATOM 0 HE22 GLN B 50 8.414 -17.822 -13.281 1.00 1.60 H new ATOM 2202 N PRO B 51 10.753 -14.612 -6.121 1.00 0.16 N ATOM 2203 CA PRO B 51 11.755 -14.581 -5.054 1.00 0.27 C ATOM 2204 C PRO B 51 12.141 -15.986 -4.581 1.00 0.20 C ATOM 2205 O PRO B 51 13.298 -16.386 -4.689 1.00 0.19 O ATOM 2206 CB PRO B 51 11.078 -13.790 -3.923 1.00 0.48 C ATOM 2207 CG PRO B 51 9.621 -13.773 -4.245 1.00 0.51 C ATOM 2208 CD PRO B 51 9.499 -13.938 -5.735 1.00 0.41 C ATOM 0 HA PRO B 51 12.687 -14.128 -5.391 1.00 0.27 H new ATOM 0 HB2 PRO B 51 11.258 -14.260 -2.956 1.00 0.48 H new ATOM 0 HB3 PRO B 51 11.476 -12.777 -3.864 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.101 -14.577 -3.724 1.00 0.51 H new ATOM 0 HG3 PRO B 51 9.165 -12.837 -3.922 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.626 -14.535 -6.001 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.392 -12.976 -6.236 1.00 0.41 H new ATOM 2216 N MET B 52 11.169 -16.725 -4.058 1.00 0.17 N ATOM 2217 CA MET B 52 11.418 -18.088 -3.584 1.00 0.11 C ATOM 2218 C MET B 52 10.468 -19.078 -4.251 1.00 0.09 C ATOM 2219 O MET B 52 10.384 -20.232 -3.844 1.00 0.08 O ATOM 2220 CB MET B 52 11.261 -18.165 -2.063 1.00 0.12 C ATOM 2221 CG MET B 52 12.266 -17.322 -1.299 1.00 0.18 C ATOM 2222 SD MET B 52 12.105 -17.500 0.490 1.00 0.26 S ATOM 2223 CE MET B 52 13.540 -16.582 1.056 1.00 0.43 C ATOM 0 H MET B 52 10.205 -16.409 -3.950 1.00 0.17 H new ATOM 0 HA MET B 52 12.441 -18.353 -3.850 1.00 0.11 H new ATOM 0 HB2 MET B 52 10.254 -17.845 -1.795 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.360 -19.204 -1.749 1.00 0.12 H new ATOM 0 HG2 MET B 52 13.275 -17.605 -1.599 1.00 0.18 H new ATOM 0 HG3 MET B 52 12.136 -16.274 -1.569 1.00 0.18 H new ATOM 0 HE1 MET B 52 13.578 -16.601 2.145 1.00 0.43 H new ATOM 0 HE2 MET B 52 14.445 -17.037 0.653 1.00 0.43 H new ATOM 0 HE3 MET B 52 13.470 -15.550 0.714 1.00 0.43 H new ATOM 2233 N LEU B 53 9.759 -18.601 -5.278 1.00 0.10 N ATOM 2234 CA LEU B 53 8.797 -19.412 -6.032 1.00 0.11 C ATOM 2235 C LEU B 53 7.802 -20.143 -5.126 1.00 0.08 C ATOM 2236 O LEU B 53 7.572 -21.342 -5.287 1.00 0.10 O ATOM 2237 CB LEU B 53 9.528 -20.413 -6.934 1.00 0.19 C ATOM 2238 CG LEU B 53 10.207 -19.795 -8.160 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.658 -19.450 -7.860 1.00 0.62 C ATOM 2240 CD2 LEU B 53 10.114 -20.729 -9.355 1.00 1.07 C ATOM 0 H LEU B 53 9.836 -17.640 -5.611 1.00 0.10 H new ATOM 0 HA LEU B 53 8.221 -18.723 -6.649 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.282 -20.932 -6.341 1.00 0.19 H new ATOM 0 HB3 LEU B 53 8.815 -21.165 -7.271 1.00 0.19 H new ATOM 0 HG LEU B 53 9.683 -18.872 -8.406 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.119 -19.013 -8.746 1.00 0.62 H new ATOM 0 HD12 LEU B 53 11.700 -18.735 -7.039 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.197 -20.355 -7.580 1.00 0.62 H new ATOM 0 HD21 LEU B 53 10.603 -20.270 -10.214 1.00 1.07 H new ATOM 0 HD22 LEU B 53 10.606 -21.672 -9.119 1.00 1.07 H new ATOM 0 HD23 LEU B 53 9.066 -20.916 -9.590 1.00 1.07 H new ATOM 2252 N ASP B 54 7.206 -19.425 -4.183 1.00 0.09 N ATOM 2253 CA ASP B 54 6.229 -20.032 -3.283 1.00 0.12 C ATOM 2254 C ASP B 54 4.832 -19.459 -3.562 1.00 0.10 C ATOM 2255 O ASP B 54 4.233 -19.785 -4.582 1.00 0.18 O ATOM 2256 CB ASP B 54 6.636 -19.868 -1.805 1.00 0.19 C ATOM 2257 CG ASP B 54 7.765 -20.800 -1.407 1.00 0.24 C ATOM 2258 OD1 ASP B 54 7.636 -22.020 -1.623 1.00 0.26 O ATOM 2259 OD2 ASP B 54 8.776 -20.311 -0.861 1.00 0.28 O1- ATOM 0 H ASP B 54 7.378 -18.433 -4.021 1.00 0.09 H new ATOM 0 HA ASP B 54 6.201 -21.105 -3.476 1.00 0.12 H new ATOM 0 HB2 ASP B 54 6.941 -18.837 -1.628 1.00 0.19 H new ATOM 0 HB3 ASP B 54 5.771 -20.058 -1.170 1.00 0.19 H new ATOM 2264 N VAL B 55 4.318 -18.589 -2.682 1.00 0.11 N ATOM 2265 CA VAL B 55 2.986 -18.000 -2.871 1.00 0.12 C ATOM 2266 C VAL B 55 2.830 -16.700 -2.063 1.00 0.08 C ATOM 2267 O VAL B 55 2.768 -15.624 -2.654 1.00 0.04 O ATOM 2268 CB VAL B 55 1.797 -18.959 -2.545 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.876 -19.084 -3.751 1.00 0.08 C ATOM 2270 CG2 VAL B 55 2.263 -20.338 -2.089 1.00 0.32 C ATOM 0 H VAL B 55 4.800 -18.279 -1.838 1.00 0.11 H new ATOM 0 HA VAL B 55 2.931 -17.789 -3.939 1.00 0.12 H new ATOM 0 HB VAL B 55 1.249 -18.518 -1.712 1.00 0.17 H new ATOM 0 HG11 VAL B 55 0.051 -19.755 -3.511 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.481 -18.102 -4.010 1.00 0.08 H new ATOM 0 HG13 VAL B 55 1.436 -19.485 -4.596 1.00 0.08 H new ATOM 0 HG21 VAL B 55 1.396 -20.963 -1.876 1.00 0.32 H new ATOM 0 HG22 VAL B 55 2.858 -20.800 -2.877 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.868 -20.238 -1.188 1.00 0.32 H new ATOM 2280 N PRO B 56 2.789 -16.741 -0.705 1.00 0.10 N ATOM 2281 CA PRO B 56 2.635 -15.518 0.097 1.00 0.10 C ATOM 2282 C PRO B 56 3.840 -14.594 -0.027 1.00 0.07 C ATOM 2283 O PRO B 56 3.724 -13.381 0.139 1.00 0.14 O ATOM 2284 CB PRO B 56 2.511 -16.031 1.533 1.00 0.14 C ATOM 2285 CG PRO B 56 3.163 -17.365 1.514 1.00 0.15 C ATOM 2286 CD PRO B 56 2.880 -17.941 0.159 1.00 0.14 C ATOM 0 HA PRO B 56 1.779 -14.929 -0.231 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.003 -15.360 2.237 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.467 -16.105 1.839 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.236 -17.278 1.685 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.766 -18.005 2.301 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.674 -18.613 -0.167 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.953 -18.515 0.151 1.00 0.14 H new ATOM 2294 N LYS B 57 4.984 -15.185 -0.344 1.00 0.09 N ATOM 2295 CA LYS B 57 6.227 -14.442 -0.495 1.00 0.06 C ATOM 2296 C LYS B 57 6.180 -13.521 -1.719 1.00 0.07 C ATOM 2297 O LYS B 57 7.060 -12.687 -1.911 1.00 0.12 O ATOM 2298 CB LYS B 57 7.405 -15.416 -0.589 1.00 0.12 C ATOM 2299 CG LYS B 57 7.539 -16.294 0.644 1.00 0.17 C ATOM 2300 CD LYS B 57 8.634 -17.334 0.483 1.00 0.47 C ATOM 2301 CE LYS B 57 8.704 -18.252 1.694 1.00 0.23 C ATOM 2302 NZ LYS B 57 9.644 -19.385 1.482 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.076 -16.188 -0.503 1.00 0.09 H new ATOM 0 HA LYS B 57 6.361 -13.809 0.382 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.280 -16.048 -1.468 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.327 -14.852 -0.731 1.00 0.12 H new ATOM 0 HG2 LYS B 57 7.755 -15.671 1.512 1.00 0.17 H new ATOM 0 HG3 LYS B 57 6.590 -16.793 0.839 1.00 0.17 H new ATOM 0 HD2 LYS B 57 8.449 -17.925 -0.414 1.00 0.47 H new ATOM 0 HD3 LYS B 57 9.594 -16.837 0.345 1.00 0.47 H new ATOM 0 HE2 LYS B 57 9.019 -17.678 2.566 1.00 0.23 H new ATOM 0 HE3 LYS B 57 7.710 -18.642 1.911 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 9.844 -19.845 2.393 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 9.215 -20.075 0.833 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 10.531 -19.028 1.072 1.00 0.62 H new ATOM 2316 N LEU B 58 5.152 -13.688 -2.542 1.00 0.07 N ATOM 2317 CA LEU B 58 4.973 -12.854 -3.724 1.00 0.11 C ATOM 2318 C LEU B 58 4.014 -11.715 -3.389 1.00 0.11 C ATOM 2319 O LEU B 58 4.266 -10.556 -3.709 1.00 0.14 O ATOM 2320 CB LEU B 58 4.433 -13.701 -4.900 1.00 0.14 C ATOM 2321 CG LEU B 58 4.230 -12.987 -6.259 1.00 0.16 C ATOM 2322 CD1 LEU B 58 2.890 -12.264 -6.313 1.00 0.17 C ATOM 2323 CD2 LEU B 58 5.371 -12.020 -6.553 1.00 0.27 C ATOM 0 H LEU B 58 4.428 -14.395 -2.412 1.00 0.07 H new ATOM 0 HA LEU B 58 5.932 -12.435 -4.027 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.117 -14.535 -5.057 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.476 -14.127 -4.597 1.00 0.14 H new ATOM 0 HG LEU B 58 4.230 -13.757 -7.031 1.00 0.16 H new ATOM 0 HD11 LEU B 58 2.780 -11.774 -7.280 1.00 0.17 H new ATOM 0 HD12 LEU B 58 2.083 -12.984 -6.177 1.00 0.17 H new ATOM 0 HD13 LEU B 58 2.848 -11.517 -5.521 1.00 0.17 H new ATOM 0 HD21 LEU B 58 5.199 -11.535 -7.514 1.00 0.27 H new ATOM 0 HD22 LEU B 58 5.419 -11.265 -5.769 1.00 0.27 H new ATOM 0 HD23 LEU B 58 6.313 -12.568 -6.587 1.00 0.27 H new ATOM 2335 N ALA B 59 2.928 -12.064 -2.714 1.00 0.08 N ATOM 2336 CA ALA B 59 1.910 -11.096 -2.337 1.00 0.09 C ATOM 2337 C ALA B 59 2.427 -10.088 -1.314 1.00 0.14 C ATOM 2338 O ALA B 59 2.057 -8.916 -1.344 1.00 0.31 O ATOM 2339 CB ALA B 59 0.688 -11.820 -1.803 1.00 0.07 C ATOM 0 H ALA B 59 2.729 -13.019 -2.415 1.00 0.08 H new ATOM 0 HA ALA B 59 1.637 -10.532 -3.229 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.072 -11.092 -1.522 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.290 -12.480 -2.574 1.00 0.07 H new ATOM 0 HB3 ALA B 59 0.967 -12.409 -0.929 1.00 0.07 H new ATOM 2345 N VAL B 60 3.281 -10.537 -0.404 1.00 0.02 N ATOM 2346 CA VAL B 60 3.831 -9.640 0.603 1.00 0.05 C ATOM 2347 C VAL B 60 4.910 -8.758 -0.022 1.00 0.08 C ATOM 2348 O VAL B 60 5.205 -7.667 0.469 1.00 0.12 O ATOM 2349 CB VAL B 60 4.399 -10.413 1.817 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.694 -11.120 1.462 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.602 -9.481 3.003 1.00 0.13 C ATOM 0 H VAL B 60 3.604 -11.502 -0.342 1.00 0.02 H new ATOM 0 HA VAL B 60 3.019 -9.013 0.972 1.00 0.05 H new ATOM 0 HB VAL B 60 3.670 -11.173 2.099 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.068 -11.654 2.335 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.512 -11.828 0.654 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.433 -10.386 1.141 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.002 -10.046 3.845 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.302 -8.692 2.730 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.647 -9.037 3.285 1.00 0.13 H new ATOM 2361 N LEU B 61 5.466 -9.234 -1.132 1.00 0.08 N ATOM 2362 CA LEU B 61 6.502 -8.510 -1.854 1.00 0.11 C ATOM 2363 C LEU B 61 5.908 -7.257 -2.487 1.00 0.11 C ATOM 2364 O LEU B 61 6.543 -6.203 -2.525 1.00 0.13 O ATOM 2365 CB LEU B 61 7.113 -9.411 -2.931 1.00 0.13 C ATOM 2366 CG LEU B 61 8.321 -8.835 -3.675 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.556 -8.849 -2.789 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.576 -9.621 -4.951 1.00 0.17 C ATOM 0 H LEU B 61 5.212 -10.128 -1.553 1.00 0.08 H new ATOM 0 HA LEU B 61 7.287 -8.215 -1.158 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.411 -10.351 -2.466 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.339 -9.648 -3.661 1.00 0.13 H new ATOM 0 HG LEU B 61 8.102 -7.800 -3.938 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.402 -8.435 -3.338 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.372 -8.248 -1.899 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.781 -9.874 -2.494 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.437 -9.201 -5.471 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.774 -10.664 -4.703 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.699 -9.562 -5.596 1.00 0.17 H new ATOM 2380 N THR B 62 4.681 -7.380 -2.971 1.00 0.10 N ATOM 2381 CA THR B 62 3.989 -6.266 -3.588 1.00 0.09 C ATOM 2382 C THR B 62 3.384 -5.355 -2.529 1.00 0.09 C ATOM 2383 O THR B 62 3.448 -4.135 -2.643 1.00 0.08 O ATOM 2384 CB THR B 62 2.876 -6.766 -4.520 1.00 0.10 C ATOM 2385 OG1 THR B 62 2.350 -7.999 -4.011 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.396 -6.977 -5.933 1.00 0.12 C ATOM 0 H THR B 62 4.144 -8.247 -2.946 1.00 0.10 H new ATOM 0 HA THR B 62 4.719 -5.704 -4.171 1.00 0.09 H new ATOM 0 HB THR B 62 2.091 -6.011 -4.557 1.00 0.10 H new ATOM 0 HG1 THR B 62 1.929 -8.501 -4.740 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.585 -7.331 -6.570 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.780 -6.035 -6.324 1.00 0.12 H new ATOM 0 HG23 THR B 62 4.196 -7.717 -5.919 1.00 0.12 H new ATOM 2394 N ALA B 63 2.815 -5.965 -1.494 1.00 0.10 N ATOM 2395 CA ALA B 63 2.186 -5.223 -0.404 1.00 0.11 C ATOM 2396 C ALA B 63 3.123 -4.170 0.176 1.00 0.11 C ATOM 2397 O ALA B 63 2.716 -3.035 0.430 1.00 0.12 O ATOM 2398 CB ALA B 63 1.743 -6.176 0.691 1.00 0.10 C ATOM 0 H ALA B 63 2.776 -6.979 -1.386 1.00 0.10 H new ATOM 0 HA ALA B 63 1.317 -4.710 -0.815 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.276 -5.611 1.498 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.026 -6.889 0.285 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.609 -6.713 1.078 1.00 0.10 H new ATOM 2404 N VAL B 64 4.378 -4.545 0.374 1.00 0.09 N ATOM 2405 CA VAL B 64 5.364 -3.631 0.930 1.00 0.10 C ATOM 2406 C VAL B 64 5.806 -2.586 -0.100 1.00 0.12 C ATOM 2407 O VAL B 64 6.036 -1.428 0.250 1.00 0.12 O ATOM 2408 CB VAL B 64 6.587 -4.391 1.506 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.387 -5.087 0.412 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.474 -3.451 2.311 1.00 0.11 C ATOM 0 H VAL B 64 4.737 -5.475 0.158 1.00 0.09 H new ATOM 0 HA VAL B 64 4.882 -3.105 1.754 1.00 0.10 H new ATOM 0 HB VAL B 64 6.207 -5.165 2.173 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.235 -5.608 0.857 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.750 -5.805 -0.104 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.749 -4.346 -0.301 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.326 -4.004 2.706 1.00 0.11 H new ATOM 0 HG22 VAL B 64 7.830 -2.647 1.667 1.00 0.11 H new ATOM 0 HG23 VAL B 64 6.901 -3.028 3.137 1.00 0.11 H new ATOM 2420 N GLN B 65 5.884 -2.979 -1.373 1.00 0.15 N ATOM 2421 CA GLN B 65 6.301 -2.053 -2.421 1.00 0.19 C ATOM 2422 C GLN B 65 5.221 -1.004 -2.676 1.00 0.13 C ATOM 2423 O GLN B 65 5.526 0.159 -2.951 1.00 0.16 O ATOM 2424 CB GLN B 65 6.634 -2.792 -3.719 1.00 0.34 C ATOM 2425 CG GLN B 65 7.609 -2.019 -4.609 1.00 0.57 C ATOM 2426 CD GLN B 65 7.056 -1.743 -5.994 1.00 0.79 C ATOM 2427 OE1 GLN B 65 5.843 -1.667 -6.198 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.949 -1.587 -6.958 1.00 0.80 N ATOM 0 H GLN B 65 5.666 -3.921 -1.698 1.00 0.15 H new ATOM 0 HA GLN B 65 7.205 -1.551 -2.075 1.00 0.19 H new ATOM 0 HB2 GLN B 65 7.063 -3.765 -3.478 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.713 -2.978 -4.272 1.00 0.34 H new ATOM 0 HG2 GLN B 65 7.859 -1.073 -4.129 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.536 -2.585 -4.700 1.00 0.57 H new ATOM 0 HE21 GLN B 65 8.945 -1.658 -6.747 1.00 0.80 H new ATOM 0 HE22 GLN B 65 7.642 -1.396 -7.912 1.00 0.80 H new ATOM 2437 N ILE B 66 3.963 -1.419 -2.573 1.00 0.15 N ATOM 2438 CA ILE B 66 2.838 -0.513 -2.769 1.00 0.16 C ATOM 2439 C ILE B 66 2.883 0.595 -1.723 1.00 0.11 C ATOM 2440 O ILE B 66 2.605 1.760 -2.012 1.00 0.27 O ATOM 2441 CB ILE B 66 1.482 -1.258 -2.684 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.330 -2.220 -3.866 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.323 -0.272 -2.654 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.286 -3.292 -3.653 1.00 1.38 C ATOM 0 H ILE B 66 3.697 -2.379 -2.354 1.00 0.15 H new ATOM 0 HA ILE B 66 2.922 -0.085 -3.768 1.00 0.16 H new ATOM 0 HB ILE B 66 1.466 -1.832 -1.758 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.072 -1.647 -4.757 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.291 -2.696 -4.060 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.618 -0.819 -2.594 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.421 0.378 -1.785 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.335 0.331 -3.562 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.238 -3.933 -4.533 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.552 -3.891 -2.782 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.686 -2.826 -3.490 1.00 1.38 H new ATOM 2456 N ALA B 67 3.256 0.219 -0.507 1.00 0.16 N ATOM 2457 CA ALA B 67 3.355 1.166 0.590 1.00 0.13 C ATOM 2458 C ALA B 67 4.407 2.230 0.287 1.00 0.06 C ATOM 2459 O ALA B 67 4.138 3.424 0.409 1.00 0.09 O ATOM 2460 CB ALA B 67 3.677 0.439 1.885 1.00 0.16 C ATOM 0 H ALA B 67 3.496 -0.740 -0.257 1.00 0.16 H new ATOM 0 HA ALA B 67 2.394 1.666 0.707 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.748 1.160 2.699 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.887 -0.279 2.105 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.627 -0.086 1.781 1.00 0.16 H new ATOM 2466 N SER B 68 5.591 1.795 -0.139 1.00 0.08 N ATOM 2467 CA SER B 68 6.678 2.715 -0.462 1.00 0.06 C ATOM 2468 C SER B 68 6.280 3.668 -1.594 1.00 0.16 C ATOM 2469 O SER B 68 6.741 4.805 -1.654 1.00 0.21 O ATOM 2470 CB SER B 68 7.937 1.932 -0.849 1.00 0.06 C ATOM 2471 OG SER B 68 7.611 0.611 -1.246 1.00 0.28 O ATOM 0 H SER B 68 5.822 0.810 -0.268 1.00 0.08 H new ATOM 0 HA SER B 68 6.888 3.313 0.425 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.452 2.443 -1.662 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.625 1.902 -0.004 1.00 0.06 H new ATOM 0 HG SER B 68 6.928 0.640 -1.949 1.00 0.28 H new ATOM 2477 N GLU B 69 5.402 3.205 -2.477 1.00 0.26 N ATOM 2478 CA GLU B 69 4.938 4.021 -3.596 1.00 0.35 C ATOM 2479 C GLU B 69 4.097 5.196 -3.103 1.00 0.24 C ATOM 2480 O GLU B 69 3.982 6.223 -3.780 1.00 0.18 O ATOM 2481 CB GLU B 69 4.124 3.169 -4.573 1.00 0.52 C ATOM 2482 CG GLU B 69 4.971 2.480 -5.629 1.00 0.44 C ATOM 2483 CD GLU B 69 5.308 3.394 -6.789 1.00 1.20 C ATOM 2484 OE1 GLU B 69 4.428 3.622 -7.646 1.00 1.71 O ATOM 2485 OE2 GLU B 69 6.452 3.888 -6.863 1.00 1.60 O1- ATOM 0 H GLU B 69 4.997 2.270 -2.441 1.00 0.26 H new ATOM 0 HA GLU B 69 5.813 4.416 -4.112 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.573 2.414 -4.012 1.00 0.52 H new ATOM 0 HB3 GLU B 69 3.386 3.802 -5.067 1.00 0.52 H new ATOM 0 HG2 GLU B 69 5.894 2.122 -5.173 1.00 0.44 H new ATOM 0 HG3 GLU B 69 4.439 1.605 -6.003 1.00 0.44 H new ATOM 2492 N TYR B 70 3.515 5.044 -1.918 1.00 0.23 N ATOM 2493 CA TYR B 70 2.681 6.089 -1.334 1.00 0.15 C ATOM 2494 C TYR B 70 3.409 6.862 -0.235 1.00 0.08 C ATOM 2495 O TYR B 70 3.035 7.991 0.079 1.00 0.12 O ATOM 2496 CB TYR B 70 1.384 5.493 -0.794 1.00 0.24 C ATOM 2497 CG TYR B 70 0.259 5.535 -1.801 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.138 4.555 -2.779 1.00 0.57 C ATOM 2499 CD2 TYR B 70 -0.678 6.562 -1.781 1.00 0.75 C ATOM 2500 CE1 TYR B 70 -0.884 4.599 -3.708 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -1.702 6.608 -2.704 1.00 0.85 C ATOM 2502 CZ TYR B 70 -1.802 5.628 -3.664 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.822 5.679 -4.586 1.00 0.59 O ATOM 0 H TYR B 70 3.605 4.207 -1.343 1.00 0.23 H new ATOM 0 HA TYR B 70 2.447 6.798 -2.128 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.561 4.460 -0.496 1.00 0.24 H new ATOM 0 HB3 TYR B 70 1.085 6.037 0.102 1.00 0.24 H new ATOM 0 HD1 TYR B 70 0.854 3.747 -2.813 1.00 0.57 H new ATOM 0 HD2 TYR B 70 -0.603 7.336 -1.031 1.00 0.75 H new ATOM 0 HE1 TYR B 70 -0.964 3.832 -4.464 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -2.423 7.411 -2.673 1.00 0.85 H new ATOM 0 HH TYR B 70 -3.058 4.769 -4.863 1.00 0.59 H new ATOM 2513 N LEU B 71 4.444 6.263 0.346 1.00 0.09 N ATOM 2514 CA LEU B 71 5.208 6.928 1.400 1.00 0.17 C ATOM 2515 C LEU B 71 5.908 8.162 0.840 1.00 0.22 C ATOM 2516 O LEU B 71 5.910 9.223 1.461 1.00 0.26 O ATOM 2517 CB LEU B 71 6.235 5.976 2.039 1.00 0.24 C ATOM 2518 CG LEU B 71 5.851 5.354 3.401 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.624 6.420 4.468 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.621 4.467 3.277 1.00 0.32 C ATOM 0 H LEU B 71 4.772 5.327 0.109 1.00 0.09 H new ATOM 0 HA LEU B 71 4.510 7.234 2.179 1.00 0.17 H new ATOM 0 HB2 LEU B 71 6.430 5.165 1.337 1.00 0.24 H new ATOM 0 HB3 LEU B 71 7.171 6.520 2.165 1.00 0.24 H new ATOM 0 HG LEU B 71 6.694 4.738 3.714 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.356 5.941 5.410 1.00 0.32 H new ATOM 0 HD12 LEU B 71 6.537 7.000 4.603 1.00 0.32 H new ATOM 0 HD13 LEU B 71 4.816 7.082 4.155 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.377 4.045 4.252 1.00 0.32 H new ATOM 0 HD22 LEU B 71 3.780 5.060 2.917 1.00 0.32 H new ATOM 0 HD23 LEU B 71 4.824 3.660 2.573 1.00 0.32 H new ATOM 2532 N LYS B 72 6.491 8.021 -0.343 1.00 0.23 N ATOM 2533 CA LYS B 72 7.170 9.138 -0.995 1.00 0.27 C ATOM 2534 C LYS B 72 6.158 10.197 -1.429 1.00 0.24 C ATOM 2535 O LYS B 72 6.501 11.364 -1.605 1.00 0.29 O ATOM 2536 CB LYS B 72 7.991 8.668 -2.206 1.00 0.31 C ATOM 2537 CG LYS B 72 7.311 7.598 -3.046 1.00 0.38 C ATOM 2538 CD LYS B 72 7.886 7.523 -4.450 1.00 0.40 C ATOM 2539 CE LYS B 72 7.445 6.242 -5.145 1.00 0.52 C ATOM 2540 NZ LYS B 72 7.775 6.238 -6.594 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.509 7.148 -0.871 1.00 0.23 H new ATOM 0 HA LYS B 72 7.857 9.575 -0.270 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.207 9.528 -2.840 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.948 8.283 -1.854 1.00 0.31 H new ATOM 0 HG2 LYS B 72 7.421 6.630 -2.557 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.243 7.807 -3.103 1.00 0.38 H new ATOM 0 HD2 LYS B 72 7.560 8.387 -5.029 1.00 0.40 H new ATOM 0 HD3 LYS B 72 8.974 7.562 -4.405 1.00 0.40 H new ATOM 0 HE2 LYS B 72 7.923 5.389 -4.664 1.00 0.52 H new ATOM 0 HE3 LYS B 72 6.369 6.117 -5.020 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 7.454 5.345 -7.021 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 7.298 7.036 -7.061 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.804 6.330 -6.716 1.00 0.58 H new ATOM 2554 N LEU B 73 4.905 9.784 -1.581 1.00 0.17 N ATOM 2555 CA LEU B 73 3.844 10.694 -1.988 1.00 0.14 C ATOM 2556 C LEU B 73 3.458 11.607 -0.826 1.00 0.11 C ATOM 2557 O LEU B 73 3.360 12.822 -0.988 1.00 0.09 O ATOM 2558 CB LEU B 73 2.621 9.913 -2.479 1.00 0.13 C ATOM 2559 CG LEU B 73 1.447 10.771 -2.957 1.00 0.12 C ATOM 2560 CD1 LEU B 73 1.764 11.430 -4.288 1.00 0.08 C ATOM 2561 CD2 LEU B 73 0.184 9.934 -3.066 1.00 0.15 C ATOM 0 H LEU B 73 4.600 8.823 -1.428 1.00 0.17 H new ATOM 0 HA LEU B 73 4.212 11.308 -2.810 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.930 9.262 -3.296 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.274 9.268 -1.672 1.00 0.13 H new ATOM 0 HG LEU B 73 1.280 11.556 -2.220 1.00 0.12 H new ATOM 0 HD11 LEU B 73 0.914 12.034 -4.606 1.00 0.08 H new ATOM 0 HD12 LEU B 73 2.642 12.067 -4.179 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.964 10.662 -5.036 1.00 0.08 H new ATOM 0 HD21 LEU B 73 -0.640 10.561 -3.407 1.00 0.15 H new ATOM 0 HD22 LEU B 73 0.344 9.125 -3.779 1.00 0.15 H new ATOM 0 HD23 LEU B 73 -0.060 9.514 -2.090 1.00 0.15 H new ATOM 2573 N LYS B 74 3.254 11.020 0.349 1.00 0.11 N ATOM 2574 CA LYS B 74 2.896 11.801 1.528 1.00 0.10 C ATOM 2575 C LYS B 74 4.085 12.651 1.969 1.00 0.13 C ATOM 2576 O LYS B 74 3.922 13.667 2.646 1.00 0.13 O ATOM 2577 CB LYS B 74 2.421 10.896 2.673 1.00 0.12 C ATOM 2578 CG LYS B 74 3.410 9.811 3.057 1.00 0.20 C ATOM 2579 CD LYS B 74 3.713 9.824 4.548 1.00 0.28 C ATOM 2580 CE LYS B 74 2.533 9.323 5.366 1.00 0.32 C ATOM 2581 NZ LYS B 74 2.874 9.184 6.806 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.329 10.016 0.510 1.00 0.11 H new ATOM 0 HA LYS B 74 2.068 12.459 1.265 1.00 0.10 H new ATOM 0 HB2 LYS B 74 2.217 11.513 3.548 1.00 0.12 H new ATOM 0 HB3 LYS B 74 1.479 10.429 2.386 1.00 0.12 H new ATOM 0 HG2 LYS B 74 3.008 8.837 2.776 1.00 0.20 H new ATOM 0 HG3 LYS B 74 4.335 9.948 2.497 1.00 0.20 H new ATOM 0 HD2 LYS B 74 4.585 9.201 4.748 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.967 10.837 4.859 1.00 0.28 H new ATOM 0 HE2 LYS B 74 1.696 10.013 5.256 1.00 0.32 H new ATOM 0 HE3 LYS B 74 2.205 8.359 4.976 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 2.043 8.840 7.328 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.655 8.506 6.914 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 3.163 10.108 7.185 1.00 0.43 H new ATOM 2595 N GLU B 75 5.281 12.231 1.565 1.00 0.17 N ATOM 2596 CA GLU B 75 6.497 12.962 1.890 1.00 0.20 C ATOM 2597 C GLU B 75 6.552 14.257 1.088 1.00 0.16 C ATOM 2598 O GLU B 75 6.927 15.307 1.606 1.00 0.20 O ATOM 2599 CB GLU B 75 7.734 12.105 1.599 1.00 0.27 C ATOM 2600 CG GLU B 75 9.003 12.611 2.266 1.00 0.36 C ATOM 2601 CD GLU B 75 8.987 12.438 3.770 1.00 0.45 C ATOM 2602 OE1 GLU B 75 8.236 11.573 4.272 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 9.734 13.158 4.461 1.00 0.55 O ATOM 0 H GLU B 75 5.431 11.387 1.012 1.00 0.17 H new ATOM 0 HA GLU B 75 6.488 13.202 2.953 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.543 11.084 1.930 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.892 12.066 0.521 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.861 12.080 1.853 1.00 0.36 H new ATOM 0 HG3 GLU B 75 9.137 13.666 2.028 1.00 0.36 H new ATOM 2610 N GLU B 76 6.158 14.181 -0.181 1.00 0.13 N ATOM 2611 CA GLU B 76 6.162 15.353 -1.046 1.00 0.11 C ATOM 2612 C GLU B 76 5.001 16.275 -0.698 1.00 0.08 C ATOM 2613 O GLU B 76 5.028 17.469 -1.002 1.00 0.08 O ATOM 2614 CB GLU B 76 6.107 14.946 -2.525 1.00 0.17 C ATOM 2615 CG GLU B 76 4.704 14.727 -3.085 1.00 0.18 C ATOM 2616 CD GLU B 76 4.719 14.490 -4.580 1.00 0.21 C ATOM 2617 OE1 GLU B 76 5.134 15.405 -5.323 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 4.322 13.392 -5.020 1.00 0.20 O ATOM 0 H GLU B 76 5.834 13.324 -0.629 1.00 0.13 H new ATOM 0 HA GLU B 76 7.094 15.893 -0.882 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.601 15.717 -3.116 1.00 0.17 H new ATOM 0 HB3 GLU B 76 6.680 14.028 -2.655 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.245 13.873 -2.587 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.085 15.596 -2.862 1.00 0.18 H new ATOM 2625 N TYR B 77 3.988 15.708 -0.054 1.00 0.07 N ATOM 2626 CA TYR B 77 2.807 16.458 0.360 1.00 0.11 C ATOM 2627 C TYR B 77 3.199 17.602 1.296 1.00 0.13 C ATOM 2628 O TYR B 77 2.768 18.742 1.120 1.00 0.22 O ATOM 2629 CB TYR B 77 1.803 15.516 1.041 1.00 0.13 C ATOM 2630 CG TYR B 77 0.610 16.203 1.680 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.012 17.286 1.069 1.00 0.22 C ATOM 2632 CD2 TYR B 77 0.099 15.757 2.892 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -1.103 17.906 1.650 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -0.994 16.372 3.478 1.00 0.14 C ATOM 2635 CZ TYR B 77 -1.592 17.444 2.853 1.00 0.20 C ATOM 2636 OH TYR B 77 -2.677 18.066 3.436 1.00 0.23 O ATOM 0 H TYR B 77 3.961 14.719 0.195 1.00 0.07 H new ATOM 0 HA TYR B 77 2.336 16.892 -0.522 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.439 14.802 0.302 1.00 0.13 H new ATOM 0 HB3 TYR B 77 2.327 14.944 1.807 1.00 0.13 H new ATOM 0 HD1 TYR B 77 0.364 17.649 0.124 1.00 0.22 H new ATOM 0 HD2 TYR B 77 0.562 14.916 3.386 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -1.570 18.749 1.163 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -1.377 16.013 4.422 1.00 0.14 H new ATOM 0 HH TYR B 77 -2.897 17.618 4.279 1.00 0.23 H new ATOM 2646 N GLN B 78 4.029 17.291 2.285 1.00 0.22 N ATOM 2647 CA GLN B 78 4.482 18.291 3.244 1.00 0.30 C ATOM 2648 C GLN B 78 5.516 19.216 2.610 1.00 0.37 C ATOM 2649 O GLN B 78 5.620 20.386 2.970 1.00 0.84 O ATOM 2650 CB GLN B 78 5.086 17.612 4.479 1.00 0.28 C ATOM 2651 CG GLN B 78 6.382 16.868 4.198 1.00 0.17 C ATOM 2652 CD GLN B 78 7.050 16.352 5.453 1.00 0.26 C ATOM 2653 OE1 GLN B 78 7.859 17.044 6.072 1.00 0.53 O ATOM 2654 NE2 GLN B 78 6.727 15.129 5.831 1.00 0.24 N ATOM 0 H GLN B 78 4.402 16.355 2.444 1.00 0.22 H new ATOM 0 HA GLN B 78 3.619 18.883 3.548 1.00 0.30 H new ATOM 0 HB2 GLN B 78 5.270 18.367 5.244 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.358 16.912 4.890 1.00 0.28 H new ATOM 0 HG2 GLN B 78 6.177 16.030 3.531 1.00 0.17 H new ATOM 0 HG3 GLN B 78 7.069 17.532 3.674 1.00 0.17 H new ATOM 0 HE21 GLN B 78 6.052 14.589 5.289 1.00 0.24 H new ATOM 0 HE22 GLN B 78 7.153 14.724 6.665 1.00 0.24 H new ATOM 2663 N ARG B 79 6.255 18.683 1.642 1.00 0.28 N ATOM 2664 CA ARG B 79 7.303 19.434 0.958 1.00 0.30 C ATOM 2665 C ARG B 79 6.769 20.697 0.287 1.00 0.27 C ATOM 2666 O ARG B 79 7.246 21.795 0.555 1.00 0.23 O ATOM 2667 CB ARG B 79 7.996 18.551 -0.079 1.00 0.34 C ATOM 2668 CG ARG B 79 9.000 17.582 0.517 1.00 0.63 C ATOM 2669 CD ARG B 79 10.122 18.325 1.214 1.00 0.85 C ATOM 2670 NE ARG B 79 11.292 17.481 1.437 1.00 1.45 N ATOM 2671 CZ ARG B 79 12.301 17.367 0.573 1.00 1.28 C ATOM 2672 NH1 ARG B 79 12.248 17.981 -0.603 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 13.360 16.627 0.882 1.00 2.05 N ATOM 0 H ARG B 79 6.146 17.724 1.311 1.00 0.28 H new ATOM 0 HA ARG B 79 8.021 19.744 1.717 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.240 17.987 -0.626 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.505 19.187 -0.803 1.00 0.34 H new ATOM 0 HG2 ARG B 79 8.499 16.924 1.227 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.411 16.949 -0.269 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.409 19.189 0.615 1.00 0.85 H new ATOM 0 HD3 ARG B 79 9.764 18.705 2.171 1.00 0.85 H new ATOM 0 HE ARG B 79 11.340 16.947 2.305 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.433 18.543 -0.849 1.00 0.73 H new ATOM 0 HH12 ARG B 79 13.022 17.891 -1.261 1.00 0.73 H new ATOM 0 HH21 ARG B 79 13.401 16.146 1.780 1.00 2.05 H new ATOM 0 HH22 ARG B 79 14.132 16.540 0.221 1.00 2.05 H new ATOM 2687 N LEU B 80 5.771 20.547 -0.575 1.00 0.30 N ATOM 2688 CA LEU B 80 5.213 21.696 -1.281 1.00 0.28 C ATOM 2689 C LEU B 80 4.512 22.653 -0.314 1.00 0.23 C ATOM 2690 O LEU B 80 4.464 23.862 -0.552 1.00 0.28 O ATOM 2691 CB LEU B 80 4.246 21.249 -2.386 1.00 0.31 C ATOM 2692 CG LEU B 80 2.885 20.723 -1.905 1.00 0.48 C ATOM 2693 CD1 LEU B 80 1.735 21.515 -2.520 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.729 19.246 -2.228 1.00 0.44 C ATOM 0 H LEU B 80 5.335 19.653 -0.801 1.00 0.30 H new ATOM 0 HA LEU B 80 6.042 22.229 -1.746 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.074 22.092 -3.056 1.00 0.31 H new ATOM 0 HB3 LEU B 80 4.730 20.469 -2.974 1.00 0.31 H new ATOM 0 HG LEU B 80 2.851 20.851 -0.823 1.00 0.48 H new ATOM 0 HD11 LEU B 80 0.786 21.118 -2.160 1.00 0.79 H new ATOM 0 HD12 LEU B 80 1.822 22.563 -2.234 1.00 0.79 H new ATOM 0 HD13 LEU B 80 1.775 21.430 -3.606 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.758 18.898 -1.877 1.00 0.44 H new ATOM 0 HD22 LEU B 80 2.800 19.100 -3.306 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.518 18.680 -1.733 1.00 0.44 H new ATOM 2706 N ARG B 81 3.996 22.111 0.785 1.00 0.20 N ATOM 2707 CA ARG B 81 3.298 22.917 1.779 1.00 0.15 C ATOM 2708 C ARG B 81 4.269 23.806 2.554 1.00 0.15 C ATOM 2709 O ARG B 81 4.017 25.000 2.738 1.00 0.43 O ATOM 2710 CB ARG B 81 2.512 22.023 2.741 1.00 0.22 C ATOM 2711 CG ARG B 81 1.232 21.465 2.138 1.00 0.32 C ATOM 2712 CD ARG B 81 0.466 20.606 3.135 1.00 0.65 C ATOM 2713 NE ARG B 81 0.402 21.217 4.464 1.00 1.05 N ATOM 2714 CZ ARG B 81 -0.664 21.168 5.267 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -1.747 20.484 4.914 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -0.642 21.793 6.436 1.00 2.12 N ATOM 0 H ARG B 81 4.048 21.117 1.009 1.00 0.20 H new ATOM 0 HA ARG B 81 2.598 23.564 1.250 1.00 0.15 H new ATOM 0 HB2 ARG B 81 3.147 21.195 3.057 1.00 0.22 H new ATOM 0 HB3 ARG B 81 2.264 22.594 3.636 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.599 22.287 1.804 1.00 0.32 H new ATOM 0 HG3 ARG B 81 1.474 20.871 1.257 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -0.546 20.440 2.765 1.00 0.65 H new ATOM 0 HD3 ARG B 81 0.943 19.629 3.210 1.00 0.65 H new ATOM 0 HE ARG B 81 1.227 21.714 4.799 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -1.770 19.990 4.022 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.556 20.453 5.535 1.00 2.04 H new ATOM 0 HH21 ARG B 81 0.189 22.311 6.722 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -1.456 21.756 7.050 1.00 2.12 H new ATOM 2730 N GLU B 82 5.381 23.231 3.001 1.00 0.39 N ATOM 2731 CA GLU B 82 6.377 23.990 3.750 1.00 0.44 C ATOM 2732 C GLU B 82 7.166 24.908 2.816 1.00 0.34 C ATOM 2733 O GLU B 82 7.669 25.953 3.233 1.00 0.27 O ATOM 2734 CB GLU B 82 7.322 23.056 4.517 1.00 0.69 C ATOM 2735 CG GLU B 82 8.121 22.108 3.639 1.00 0.48 C ATOM 2736 CD GLU B 82 9.612 22.212 3.879 1.00 0.92 C ATOM 2737 OE1 GLU B 82 10.149 23.338 3.827 1.00 1.70 O1- ATOM 2738 OE2 GLU B 82 10.256 21.168 4.109 1.00 1.27 O ATOM 0 H GLU B 82 5.615 22.248 2.859 1.00 0.39 H new ATOM 0 HA GLU B 82 5.852 24.607 4.479 1.00 0.44 H new ATOM 0 HB2 GLU B 82 8.015 23.661 5.101 1.00 0.69 H new ATOM 0 HB3 GLU B 82 6.737 22.469 5.225 1.00 0.69 H new ATOM 0 HG2 GLU B 82 7.797 21.084 3.826 1.00 0.48 H new ATOM 0 HG3 GLU B 82 7.909 22.323 2.592 1.00 0.48 H new ATOM 2745 N GLN B 83 7.251 24.515 1.547 1.00 0.35 N ATOM 2746 CA GLN B 83 7.959 25.294 0.539 1.00 0.31 C ATOM 2747 C GLN B 83 7.221 26.598 0.284 1.00 0.28 C ATOM 2748 O GLN B 83 7.829 27.641 0.033 1.00 0.30 O ATOM 2749 CB GLN B 83 8.078 24.487 -0.754 1.00 0.36 C ATOM 2750 CG GLN B 83 8.822 25.202 -1.867 1.00 0.39 C ATOM 2751 CD GLN B 83 8.783 24.437 -3.173 1.00 0.29 C ATOM 2752 OE1 GLN B 83 7.838 23.691 -3.442 1.00 0.45 O ATOM 2753 NE2 GLN B 83 9.803 24.617 -3.994 1.00 0.89 N ATOM 0 H GLN B 83 6.834 23.654 1.192 1.00 0.35 H new ATOM 0 HA GLN B 83 8.962 25.523 0.900 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.587 23.548 -0.537 1.00 0.36 H new ATOM 0 HB3 GLN B 83 7.077 24.234 -1.105 1.00 0.36 H new ATOM 0 HG2 GLN B 83 8.386 26.190 -2.015 1.00 0.39 H new ATOM 0 HG3 GLN B 83 9.859 25.353 -1.568 1.00 0.39 H new ATOM 0 HE21 GLN B 83 10.564 25.243 -3.732 1.00 0.89 H new ATOM 0 HE22 GLN B 83 9.829 24.130 -4.890 1.00 0.89 H new ATOM 2762 N LEU B 84 5.898 26.529 0.363 1.00 0.27 N ATOM 2763 CA LEU B 84 5.049 27.694 0.162 1.00 0.26 C ATOM 2764 C LEU B 84 5.285 28.707 1.278 1.00 0.19 C ATOM 2765 O LEU B 84 5.072 29.908 1.107 1.00 0.26 O ATOM 2766 CB LEU B 84 3.575 27.267 0.125 1.00 0.39 C ATOM 2767 CG LEU B 84 2.560 28.408 -0.072 1.00 0.50 C ATOM 2768 CD1 LEU B 84 2.712 29.051 -1.444 1.00 0.62 C ATOM 2769 CD2 LEU B 84 1.129 27.918 0.122 1.00 1.24 C ATOM 0 H LEU B 84 5.387 25.670 0.567 1.00 0.27 H new ATOM 0 HA LEU B 84 5.299 28.161 -0.791 1.00 0.26 H new ATOM 0 HB2 LEU B 84 3.444 26.544 -0.680 1.00 0.39 H new ATOM 0 HB3 LEU B 84 3.340 26.752 1.057 1.00 0.39 H new ATOM 0 HG LEU B 84 2.771 29.161 0.688 1.00 0.50 H new ATOM 0 HD11 LEU B 84 1.982 29.853 -1.553 1.00 0.62 H new ATOM 0 HD12 LEU B 84 3.717 29.460 -1.545 1.00 0.62 H new ATOM 0 HD13 LEU B 84 2.546 28.301 -2.218 1.00 0.62 H new ATOM 0 HD21 LEU B 84 0.437 28.748 -0.024 1.00 1.24 H new ATOM 0 HD22 LEU B 84 0.912 27.133 -0.602 1.00 1.24 H new ATOM 0 HD23 LEU B 84 1.013 27.523 1.131 1.00 1.24 H new ATOM 2781 N LYS B 85 5.754 28.209 2.414 1.00 0.35 N ATOM 2782 CA LYS B 85 6.035 29.045 3.574 1.00 0.59 C ATOM 2783 C LYS B 85 7.492 29.495 3.588 1.00 0.72 C ATOM 2784 O LYS B 85 7.990 29.996 4.598 1.00 0.98 O ATOM 2785 CB LYS B 85 5.740 28.277 4.862 1.00 0.69 C ATOM 2786 CG LYS B 85 4.279 27.906 5.040 1.00 0.66 C ATOM 2787 CD LYS B 85 4.064 27.054 6.281 1.00 0.84 C ATOM 2788 CE LYS B 85 4.221 27.866 7.565 1.00 1.01 C ATOM 2789 NZ LYS B 85 3.300 29.035 7.612 1.00 1.80 N1+ ATOM 0 H LYS B 85 5.950 27.218 2.558 1.00 0.35 H new ATOM 0 HA LYS B 85 5.394 29.924 3.511 1.00 0.59 H new ATOM 0 HB2 LYS B 85 6.339 27.367 4.875 1.00 0.69 H new ATOM 0 HB3 LYS B 85 6.057 28.880 5.713 1.00 0.69 H new ATOM 0 HG2 LYS B 85 3.679 28.813 5.113 1.00 0.66 H new ATOM 0 HG3 LYS B 85 3.931 27.363 4.161 1.00 0.66 H new ATOM 0 HD2 LYS B 85 3.068 26.613 6.250 1.00 0.84 H new ATOM 0 HD3 LYS B 85 4.777 26.230 6.283 1.00 0.84 H new ATOM 0 HE2 LYS B 85 4.032 27.223 8.424 1.00 1.01 H new ATOM 0 HE3 LYS B 85 5.251 28.214 7.648 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 3.189 29.350 8.597 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 3.695 29.811 7.043 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 2.372 28.762 7.229 1.00 1.80 H new ATOM 2803 N LYS B 86 8.176 29.296 2.473 1.00 0.59 N ATOM 2804 CA LYS B 86 9.571 29.678 2.363 1.00 0.82 C ATOM 2805 C LYS B 86 9.852 30.189 0.954 1.00 0.82 C ATOM 2806 O LYS B 86 9.127 31.100 0.507 1.00 1.02 O ATOM 2807 CB LYS B 86 10.463 28.479 2.700 1.00 1.00 C ATOM 2808 CG LYS B 86 11.906 28.844 3.022 1.00 1.09 C ATOM 2809 CD LYS B 86 12.627 27.692 3.701 1.00 1.23 C ATOM 2810 CE LYS B 86 12.354 27.672 5.195 1.00 1.10 C ATOM 2811 NZ LYS B 86 12.599 26.329 5.788 1.00 0.86 N1+ ATOM 0 H LYS B 86 7.786 28.872 1.632 1.00 0.59 H new ATOM 0 HA LYS B 86 9.791 30.478 3.070 1.00 0.82 H new ATOM 0 HB2 LYS B 86 10.035 27.951 3.552 1.00 1.00 H new ATOM 0 HB3 LYS B 86 10.455 27.786 1.858 1.00 1.00 H new ATOM 0 HG2 LYS B 86 12.429 29.113 2.104 1.00 1.09 H new ATOM 0 HG3 LYS B 86 11.926 29.721 3.669 1.00 1.09 H new ATOM 0 HD2 LYS B 86 12.307 26.749 3.258 1.00 1.23 H new ATOM 0 HD3 LYS B 86 13.699 27.778 3.527 1.00 1.23 H new ATOM 0 HE2 LYS B 86 12.988 28.408 5.689 1.00 1.10 H new ATOM 0 HE3 LYS B 86 11.321 27.967 5.379 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 12.401 26.359 6.809 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 11.976 25.630 5.335 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 13.591 26.058 5.636 1.00 0.86 H new TER 2825 LYS B 86