USER MOD reduce.3.24.130724 H: found=0, std=0, add=1434, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 50 GLN : amide:sc= 0.97 K(o=-0.56,f=-14!) USER MOD Set 1.2: B 57 LYS NZ :NH3+ 166:sc= -1.53! (180deg=-2.76!) USER MOD Set 2.1: B 17 TYR OH : rot 50:sc= 0.825 USER MOD Set 2.2: B 47 SER OG : rot 51:sc= 1.79 USER MOD Set 3.1: B 13 SER OG : rot 180:sc= 0.609 USER MOD Set 3.2: B 22 THR OG1 : rot -74:sc= 0.676 USER MOD Set 4.1: A 17 TYR OH : rot -141:sc= 1.98 USER MOD Set 4.2: A 44 HIS : no HE2:sc= 1.12 K(o=5.3,f=-5.9!) USER MOD Set 4.3: A 47 SER OG : rot 39:sc= 2.22 USER MOD Set 5.1: A 19 GLN :FLIP amide:sc= -0.118 F(o=-1.6,f=-0.12) USER MOD Set 5.2: B 52 MET CE :methyl -157:sc= 0 (180deg=-0.189) USER MOD Single : A 1 GLY N :NH3+ 156:sc=0.000422 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00884 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0848 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=-0.00221 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.379 USER MOD Single : A 22 THR OG1 : rot 33:sc= 0.0924 USER MOD Single : A 28 SER OG : rot 36:sc= 1.27 USER MOD Single : A 31 HIS : no HE2:sc= 0.593 K(o=0.59,f=-5.8!) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0.849 (180deg=0.2) USER MOD Single : A 43 MET CE :methyl 176:sc= -1.01 (180deg=-1.07) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.29! C(o=-1.3!,f=-4.4!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.807) USER MOD Single : A 62 THR OG1 : rot 28:sc= 0.602 USER MOD Single : A 65 GLN : amide:sc= -2 X(o=-2,f=-1.5) USER MOD Single : A 68 SER OG : rot 78:sc= 0.985 USER MOD Single : A 70 TYR OH : rot 99:sc= 0.0682 USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 1.96 (180deg=1.56) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0119) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.616 USER MOD Single : A 78 GLN : amide:sc= 1.19 K(o=1.2,f=-1.7!) USER MOD Single : A 83 GLN : amide:sc= 0.155 X(o=0.15,f=-0.031) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 136:sc= 0.0293 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0561 USER MOD Single : B 3 HIS : no HD1:sc=-0.00167 X(o=-0.0017,f=0) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : B 7 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : B 19 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.0074) USER MOD Single : B 21 TYR OH : rot 180:sc= -0.084 USER MOD Single : B 28 SER OG : rot 44:sc= 1.22 USER MOD Single : B 31 HIS : no HD1:sc= 0.906 K(o=0.91,f=-3.7!) USER MOD Single : B 42 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1.1) USER MOD Single : B 43 MET CE :methyl 172:sc= -0.0343 (180deg=-0.172) USER MOD Single : B 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.25) USER MOD Single : B 62 THR OG1 : rot 43:sc= 0.745 USER MOD Single : B 65 GLN : amide:sc= -0.0482 X(o=-0.048,f=-0.066) USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 70 TYR OH : rot 128:sc= 0.00446 USER MOD Single : B 72 LYS NZ :NH3+ -119:sc= 1.3 (180deg=-0.567) USER MOD Single : B 74 LYS NZ :NH3+ -163:sc= -0.0312 (180deg=-0.274) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 85 LYS NZ :NH3+ 139:sc= 1.27 (180deg=-1) USER MOD Single : B 86 LYS NZ :NH3+ -177:sc= 1.7 (180deg=1.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.171 -6.550 -10.508 1.00 0.23 N ATOM 2 CA GLY A 1 36.796 -5.616 -11.592 1.00 0.52 C ATOM 3 C GLY A 1 36.143 -4.361 -11.053 1.00 0.32 C ATOM 4 O GLY A 1 35.352 -4.422 -10.109 1.00 0.19 O ATOM 0 H1 GLY A 1 37.227 -7.517 -10.887 1.00 0.23 H new ATOM 0 H2 GLY A 1 38.096 -6.277 -10.119 1.00 0.23 H new ATOM 0 H3 GLY A 1 36.454 -6.514 -9.755 1.00 0.23 H new ATOM 0 HA2 GLY A 1 37.684 -5.347 -12.163 1.00 0.52 H new ATOM 0 HA3 GLY A 1 36.113 -6.114 -12.281 1.00 0.52 H new ATOM 10 N SER A 2 36.472 -3.224 -11.650 1.00 0.42 N ATOM 11 CA SER A 2 35.917 -1.949 -11.228 1.00 0.34 C ATOM 12 C SER A 2 34.432 -1.858 -11.571 1.00 0.28 C ATOM 13 O SER A 2 33.982 -2.388 -12.589 1.00 0.53 O ATOM 14 CB SER A 2 36.689 -0.811 -11.893 1.00 0.58 C ATOM 15 OG SER A 2 38.069 -1.128 -11.986 1.00 0.54 O ATOM 0 H SER A 2 37.124 -3.160 -12.432 1.00 0.42 H new ATOM 0 HA SER A 2 36.014 -1.866 -10.146 1.00 0.34 H new ATOM 0 HB2 SER A 2 36.286 -0.624 -12.888 1.00 0.58 H new ATOM 0 HB3 SER A 2 36.559 0.107 -11.319 1.00 0.58 H new ATOM 0 HG SER A 2 38.546 -0.388 -12.416 1.00 0.54 H new ATOM 21 N HIS A 3 33.676 -1.205 -10.703 1.00 0.18 N ATOM 22 CA HIS A 3 32.242 -1.037 -10.896 1.00 0.13 C ATOM 23 C HIS A 3 31.862 0.429 -10.751 1.00 0.16 C ATOM 24 O HIS A 3 31.067 0.794 -9.888 1.00 0.31 O ATOM 25 CB HIS A 3 31.464 -1.877 -9.881 1.00 0.26 C ATOM 26 CG HIS A 3 31.080 -3.233 -10.384 1.00 0.54 C ATOM 27 ND1 HIS A 3 29.784 -3.702 -10.365 1.00 1.06 N ATOM 28 CD2 HIS A 3 31.829 -4.227 -10.914 1.00 1.49 C ATOM 29 CE1 HIS A 3 29.753 -4.922 -10.866 1.00 1.02 C ATOM 30 NE2 HIS A 3 30.980 -5.263 -11.205 1.00 1.41 N ATOM 0 H HIS A 3 34.035 -0.778 -9.849 1.00 0.18 H new ATOM 0 HA HIS A 3 31.987 -1.374 -11.901 1.00 0.13 H new ATOM 0 HB2 HIS A 3 32.067 -1.992 -8.980 1.00 0.26 H new ATOM 0 HB3 HIS A 3 30.561 -1.338 -9.594 1.00 0.26 H new ATOM 0 HD2 HIS A 3 32.896 -4.208 -11.077 1.00 1.49 H new ATOM 0 HE1 HIS A 3 28.872 -5.537 -10.979 1.00 1.02 H new ATOM 0 HE2 HIS A 3 31.254 -6.155 -11.618 1.00 1.41 H new ATOM 39 N MET A 4 32.434 1.265 -11.600 1.00 0.20 N ATOM 40 CA MET A 4 32.163 2.695 -11.550 1.00 0.25 C ATOM 41 C MET A 4 31.352 3.148 -12.758 1.00 0.20 C ATOM 42 O MET A 4 31.855 3.848 -13.640 1.00 0.30 O ATOM 43 CB MET A 4 33.471 3.486 -11.465 1.00 0.37 C ATOM 44 CG MET A 4 34.089 3.472 -10.078 1.00 0.43 C ATOM 45 SD MET A 4 35.733 4.212 -10.038 1.00 0.28 S ATOM 46 CE MET A 4 36.053 4.214 -8.272 1.00 0.33 C ATOM 0 H MET A 4 33.087 0.982 -12.331 1.00 0.20 H new ATOM 0 HA MET A 4 31.573 2.890 -10.654 1.00 0.25 H new ATOM 0 HB2 MET A 4 34.185 3.073 -12.178 1.00 0.37 H new ATOM 0 HB3 MET A 4 33.284 4.518 -11.762 1.00 0.37 H new ATOM 0 HG2 MET A 4 33.437 4.009 -9.389 1.00 0.43 H new ATOM 0 HG3 MET A 4 34.150 2.443 -9.723 1.00 0.43 H new ATOM 0 HE1 MET A 4 37.037 4.643 -8.081 1.00 0.33 H new ATOM 0 HE2 MET A 4 35.293 4.809 -7.765 1.00 0.33 H new ATOM 0 HE3 MET A 4 36.024 3.191 -7.896 1.00 0.33 H new ATOM 56 N THR A 5 30.099 2.725 -12.805 1.00 0.32 N ATOM 57 CA THR A 5 29.207 3.098 -13.887 1.00 0.34 C ATOM 58 C THR A 5 28.401 4.332 -13.498 1.00 0.34 C ATOM 59 O THR A 5 28.504 5.382 -14.138 1.00 0.37 O ATOM 60 CB THR A 5 28.251 1.947 -14.230 1.00 0.36 C ATOM 61 OG1 THR A 5 28.174 1.037 -13.123 1.00 0.33 O ATOM 62 CG2 THR A 5 28.721 1.207 -15.470 1.00 0.54 C ATOM 0 H THR A 5 29.676 2.120 -12.101 1.00 0.32 H new ATOM 0 HA THR A 5 29.813 3.321 -14.765 1.00 0.34 H new ATOM 0 HB THR A 5 27.264 2.364 -14.430 1.00 0.36 H new ATOM 0 HG1 THR A 5 27.562 0.304 -13.344 1.00 0.33 H new ATOM 0 HG21 THR A 5 28.028 0.396 -15.694 1.00 0.54 H new ATOM 0 HG22 THR A 5 28.757 1.897 -16.313 1.00 0.54 H new ATOM 0 HG23 THR A 5 29.715 0.797 -15.294 1.00 0.54 H new ATOM 70 N GLU A 6 27.616 4.187 -12.434 1.00 0.35 N ATOM 71 CA GLU A 6 26.774 5.257 -11.906 1.00 0.39 C ATOM 72 C GLU A 6 26.098 4.767 -10.632 1.00 0.32 C ATOM 73 O GLU A 6 26.357 3.646 -10.191 1.00 0.30 O ATOM 74 CB GLU A 6 25.709 5.680 -12.924 1.00 0.52 C ATOM 75 CG GLU A 6 25.857 7.115 -13.398 1.00 0.53 C ATOM 76 CD GLU A 6 24.526 7.789 -13.639 1.00 1.16 C ATOM 77 OE1 GLU A 6 23.742 7.918 -12.679 1.00 1.31 O1- ATOM 78 OE2 GLU A 6 24.255 8.193 -14.789 1.00 1.64 O ATOM 0 H GLU A 6 27.546 3.315 -11.909 1.00 0.35 H new ATOM 0 HA GLU A 6 27.400 6.124 -11.695 1.00 0.39 H new ATOM 0 HB2 GLU A 6 25.758 5.015 -13.786 1.00 0.52 H new ATOM 0 HB3 GLU A 6 24.722 5.553 -12.479 1.00 0.52 H new ATOM 0 HG2 GLU A 6 26.418 7.683 -12.656 1.00 0.53 H new ATOM 0 HG3 GLU A 6 26.440 7.131 -14.319 1.00 0.53 H new ATOM 85 N GLN A 7 25.244 5.589 -10.043 1.00 0.30 N ATOM 86 CA GLN A 7 24.540 5.198 -8.828 1.00 0.25 C ATOM 87 C GLN A 7 23.031 5.173 -9.068 1.00 0.23 C ATOM 88 O GLN A 7 22.334 6.172 -8.875 1.00 0.29 O ATOM 89 CB GLN A 7 24.891 6.124 -7.654 1.00 0.29 C ATOM 90 CG GLN A 7 24.847 7.607 -7.987 1.00 0.42 C ATOM 91 CD GLN A 7 24.392 8.451 -6.813 1.00 1.19 C ATOM 92 OE1 GLN A 7 25.197 8.885 -5.991 1.00 1.46 O ATOM 93 NE2 GLN A 7 23.093 8.683 -6.723 1.00 1.77 N ATOM 0 H GLN A 7 25.021 6.525 -10.382 1.00 0.30 H new ATOM 0 HA GLN A 7 24.865 4.192 -8.562 1.00 0.25 H new ATOM 0 HB2 GLN A 7 24.200 5.928 -6.834 1.00 0.29 H new ATOM 0 HB3 GLN A 7 25.890 5.874 -7.296 1.00 0.29 H new ATOM 0 HG2 GLN A 7 25.837 7.935 -8.304 1.00 0.42 H new ATOM 0 HG3 GLN A 7 24.173 7.767 -8.829 1.00 0.42 H new ATOM 0 HE21 GLN A 7 22.458 8.305 -7.426 1.00 1.77 H new ATOM 0 HE22 GLN A 7 22.727 9.240 -5.951 1.00 1.77 H new ATOM 102 N PRO A 8 22.509 4.024 -9.516 1.00 0.18 N ATOM 103 CA PRO A 8 21.086 3.852 -9.787 1.00 0.17 C ATOM 104 C PRO A 8 20.317 3.417 -8.542 1.00 0.19 C ATOM 105 O PRO A 8 20.874 3.386 -7.441 1.00 0.25 O ATOM 106 CB PRO A 8 21.096 2.742 -10.839 1.00 0.18 C ATOM 107 CG PRO A 8 22.249 1.879 -10.455 1.00 0.20 C ATOM 108 CD PRO A 8 23.265 2.788 -9.801 1.00 0.18 C ATOM 0 HA PRO A 8 20.594 4.770 -10.109 1.00 0.17 H new ATOM 0 HB2 PRO A 8 20.161 2.182 -10.834 1.00 0.18 H new ATOM 0 HB3 PRO A 8 21.220 3.147 -11.843 1.00 0.18 H new ATOM 0 HG2 PRO A 8 21.934 1.092 -9.769 1.00 0.20 H new ATOM 0 HG3 PRO A 8 22.674 1.387 -11.330 1.00 0.20 H new ATOM 0 HD2 PRO A 8 23.666 2.347 -8.889 1.00 0.18 H new ATOM 0 HD3 PRO A 8 24.111 2.981 -10.461 1.00 0.18 H new ATOM 116 N LYS A 9 19.035 3.106 -8.718 1.00 0.17 N ATOM 117 CA LYS A 9 18.199 2.651 -7.614 1.00 0.20 C ATOM 118 C LYS A 9 18.796 1.398 -6.983 1.00 0.23 C ATOM 119 O LYS A 9 19.174 0.456 -7.683 1.00 0.30 O ATOM 120 CB LYS A 9 16.777 2.364 -8.102 1.00 0.14 C ATOM 121 CG LYS A 9 16.041 3.593 -8.618 1.00 0.33 C ATOM 122 CD LYS A 9 14.599 3.277 -8.998 1.00 0.76 C ATOM 123 CE LYS A 9 14.509 2.568 -10.341 1.00 1.45 C ATOM 124 NZ LYS A 9 13.108 2.204 -10.679 1.00 2.23 N1+ ATOM 0 H LYS A 9 18.554 3.161 -9.616 1.00 0.17 H new ATOM 0 HA LYS A 9 18.158 3.441 -6.864 1.00 0.20 H new ATOM 0 HB2 LYS A 9 16.820 1.618 -8.896 1.00 0.14 H new ATOM 0 HB3 LYS A 9 16.204 1.927 -7.284 1.00 0.14 H new ATOM 0 HG2 LYS A 9 16.053 4.370 -7.854 1.00 0.33 H new ATOM 0 HG3 LYS A 9 16.566 3.992 -9.486 1.00 0.33 H new ATOM 0 HD2 LYS A 9 14.149 2.652 -8.227 1.00 0.76 H new ATOM 0 HD3 LYS A 9 14.023 4.201 -9.036 1.00 0.76 H new ATOM 0 HE2 LYS A 9 14.915 3.212 -11.120 1.00 1.45 H new ATOM 0 HE3 LYS A 9 15.123 1.668 -10.319 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 13.087 1.723 -11.601 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 12.728 1.569 -9.948 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 12.527 3.065 -10.725 1.00 2.23 H new ATOM 138 N THR A 10 18.897 1.388 -5.665 1.00 0.30 N ATOM 139 CA THR A 10 19.469 0.252 -4.971 1.00 0.36 C ATOM 140 C THR A 10 18.393 -0.593 -4.297 1.00 0.30 C ATOM 141 O THR A 10 17.253 -0.153 -4.123 1.00 0.27 O ATOM 142 CB THR A 10 20.532 0.697 -3.940 1.00 0.49 C ATOM 143 OG1 THR A 10 21.471 -0.366 -3.720 1.00 0.62 O ATOM 144 CG2 THR A 10 19.897 1.103 -2.614 1.00 0.60 C ATOM 0 H THR A 10 18.592 2.150 -5.059 1.00 0.30 H new ATOM 0 HA THR A 10 19.961 -0.366 -5.722 1.00 0.36 H new ATOM 0 HB THR A 10 21.046 1.568 -4.347 1.00 0.49 H new ATOM 0 HG1 THR A 10 22.143 -0.079 -3.067 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.676 1.409 -1.916 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.210 1.933 -2.779 1.00 0.60 H new ATOM 0 HG23 THR A 10 19.350 0.257 -2.198 1.00 0.60 H new ATOM 152 N ARG A 11 18.769 -1.808 -3.920 1.00 0.30 N ATOM 153 CA ARG A 11 17.852 -2.732 -3.276 1.00 0.26 C ATOM 154 C ARG A 11 18.324 -3.057 -1.863 1.00 0.21 C ATOM 155 O ARG A 11 19.473 -3.454 -1.653 1.00 0.22 O ATOM 156 CB ARG A 11 17.702 -4.017 -4.103 1.00 0.32 C ATOM 157 CG ARG A 11 19.008 -4.526 -4.701 1.00 0.40 C ATOM 158 CD ARG A 11 18.804 -5.809 -5.490 1.00 0.55 C ATOM 159 NE ARG A 11 20.024 -6.221 -6.183 1.00 0.68 N ATOM 160 CZ ARG A 11 20.075 -7.185 -7.103 1.00 1.07 C ATOM 161 NH1 ARG A 11 18.975 -7.844 -7.444 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 21.229 -7.493 -7.678 1.00 1.17 N ATOM 0 H ARG A 11 19.711 -2.176 -4.052 1.00 0.30 H new ATOM 0 HA ARG A 11 16.875 -2.253 -3.212 1.00 0.26 H new ATOM 0 HB2 ARG A 11 17.276 -4.796 -3.471 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.991 -3.837 -4.909 1.00 0.32 H new ATOM 0 HG2 ARG A 11 19.432 -3.762 -5.353 1.00 0.40 H new ATOM 0 HG3 ARG A 11 19.730 -4.701 -3.903 1.00 0.40 H new ATOM 0 HD2 ARG A 11 18.483 -6.603 -4.816 1.00 0.55 H new ATOM 0 HD3 ARG A 11 18.004 -5.665 -6.217 1.00 0.55 H new ATOM 0 HE ARG A 11 20.892 -5.740 -5.947 1.00 0.68 H new ATOM 0 HH11 ARG A 11 18.085 -7.614 -7.002 1.00 1.36 H new ATOM 0 HH12 ARG A 11 19.019 -8.580 -8.148 1.00 1.36 H new ATOM 0 HH21 ARG A 11 22.079 -6.993 -7.417 1.00 1.17 H new ATOM 0 HH22 ARG A 11 21.267 -8.230 -8.382 1.00 1.17 H new ATOM 176 N VAL A 12 17.438 -2.877 -0.894 1.00 0.16 N ATOM 177 CA VAL A 12 17.757 -3.147 0.500 1.00 0.12 C ATOM 178 C VAL A 12 16.919 -4.322 1.002 1.00 0.14 C ATOM 179 O VAL A 12 15.844 -4.593 0.463 1.00 0.18 O ATOM 180 CB VAL A 12 17.525 -1.890 1.378 1.00 0.09 C ATOM 181 CG1 VAL A 12 16.043 -1.624 1.581 1.00 0.08 C ATOM 182 CG2 VAL A 12 18.237 -2.012 2.717 1.00 0.12 C ATOM 0 H VAL A 12 16.487 -2.543 -1.050 1.00 0.16 H new ATOM 0 HA VAL A 12 18.813 -3.408 0.573 1.00 0.12 H new ATOM 0 HB VAL A 12 17.950 -1.039 0.846 1.00 0.09 H new ATOM 0 HG11 VAL A 12 15.914 -0.736 2.201 1.00 0.08 H new ATOM 0 HG12 VAL A 12 15.566 -1.464 0.614 1.00 0.08 H new ATOM 0 HG13 VAL A 12 15.584 -2.481 2.074 1.00 0.08 H new ATOM 0 HG21 VAL A 12 18.055 -1.115 3.309 1.00 0.12 H new ATOM 0 HG22 VAL A 12 17.859 -2.883 3.252 1.00 0.12 H new ATOM 0 HG23 VAL A 12 19.308 -2.125 2.550 1.00 0.12 H new ATOM 192 N SER A 13 17.422 -5.034 1.998 1.00 0.14 N ATOM 193 CA SER A 13 16.715 -6.179 2.549 1.00 0.17 C ATOM 194 C SER A 13 16.143 -5.860 3.931 1.00 0.12 C ATOM 195 O SER A 13 16.841 -5.325 4.790 1.00 0.15 O ATOM 196 CB SER A 13 17.669 -7.369 2.626 1.00 0.25 C ATOM 197 OG SER A 13 18.573 -7.351 1.531 1.00 0.56 O ATOM 0 H SER A 13 18.319 -4.838 2.442 1.00 0.14 H new ATOM 0 HA SER A 13 15.878 -6.425 1.896 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.223 -7.338 3.564 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.101 -8.299 2.622 1.00 0.25 H new ATOM 0 HG SER A 13 19.179 -8.118 1.595 1.00 0.56 H new ATOM 203 N VAL A 14 14.864 -6.169 4.122 1.00 0.06 N ATOM 204 CA VAL A 14 14.186 -5.941 5.395 1.00 0.08 C ATOM 205 C VAL A 14 13.538 -7.237 5.874 1.00 0.08 C ATOM 206 O VAL A 14 13.570 -8.244 5.167 1.00 0.12 O ATOM 207 CB VAL A 14 13.110 -4.833 5.297 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.741 -3.498 4.927 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.018 -5.216 4.302 1.00 0.09 C ATOM 0 H VAL A 14 14.270 -6.582 3.403 1.00 0.06 H new ATOM 0 HA VAL A 14 14.939 -5.608 6.109 1.00 0.08 H new ATOM 0 HB VAL A 14 12.645 -4.727 6.277 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.966 -2.734 4.864 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.468 -3.215 5.689 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.242 -3.587 3.963 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.275 -4.420 4.253 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.459 -5.362 3.316 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.539 -6.140 4.626 1.00 0.09 H new ATOM 219 N ARG A 15 12.957 -7.216 7.067 1.00 0.05 N ATOM 220 CA ARG A 15 12.313 -8.401 7.621 1.00 0.05 C ATOM 221 C ARG A 15 10.807 -8.188 7.779 1.00 0.04 C ATOM 222 O ARG A 15 10.375 -7.231 8.419 1.00 0.07 O ATOM 223 CB ARG A 15 12.938 -8.747 8.977 1.00 0.06 C ATOM 224 CG ARG A 15 12.364 -9.996 9.634 1.00 0.06 C ATOM 225 CD ARG A 15 11.243 -9.657 10.608 1.00 0.11 C ATOM 226 NE ARG A 15 11.660 -8.678 11.612 1.00 0.16 N ATOM 227 CZ ARG A 15 10.830 -7.852 12.244 1.00 0.20 C ATOM 228 NH1 ARG A 15 9.525 -7.873 11.987 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 11.305 -7.002 13.141 1.00 0.26 N ATOM 0 H ARG A 15 12.918 -6.393 7.669 1.00 0.05 H new ATOM 0 HA ARG A 15 12.467 -9.228 6.928 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.012 -8.881 8.845 1.00 0.06 H new ATOM 0 HB3 ARG A 15 12.803 -7.902 9.652 1.00 0.06 H new ATOM 0 HG2 ARG A 15 11.986 -10.670 8.865 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.157 -10.526 10.162 1.00 0.06 H new ATOM 0 HD2 ARG A 15 10.389 -9.266 10.055 1.00 0.11 H new ATOM 0 HD3 ARG A 15 10.910 -10.567 11.107 1.00 0.11 H new ATOM 0 HE ARG A 15 12.652 -8.625 11.843 1.00 0.16 H new ATOM 0 HH11 ARG A 15 9.151 -8.527 11.299 1.00 0.20 H new ATOM 0 HH12 ARG A 15 8.898 -7.235 12.478 1.00 0.20 H new ATOM 0 HH21 ARG A 15 12.304 -6.982 13.346 1.00 0.26 H new ATOM 0 HH22 ARG A 15 10.672 -6.367 13.627 1.00 0.26 H new ATOM 243 N ILE A 16 10.017 -9.085 7.193 1.00 0.03 N ATOM 244 CA ILE A 16 8.566 -9.019 7.285 1.00 0.04 C ATOM 245 C ILE A 16 8.002 -10.387 7.653 1.00 0.04 C ATOM 246 O ILE A 16 8.180 -11.361 6.916 1.00 0.04 O ATOM 247 CB ILE A 16 7.914 -8.549 5.967 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.582 -7.264 5.464 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.422 -8.327 6.181 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.279 -6.943 4.017 1.00 0.07 C ATOM 0 H ILE A 16 10.365 -9.872 6.645 1.00 0.03 H new ATOM 0 HA ILE A 16 8.331 -8.288 8.059 1.00 0.04 H new ATOM 0 HB ILE A 16 8.052 -9.321 5.210 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.258 -6.430 6.087 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.661 -7.354 5.588 1.00 0.08 H new ATOM 0 HG21 ILE A 16 5.966 -7.995 5.248 1.00 0.06 H new ATOM 0 HG22 ILE A 16 5.957 -9.260 6.500 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.274 -7.567 6.948 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.787 -6.021 3.735 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.628 -7.758 3.383 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.204 -6.819 3.889 1.00 0.07 H new ATOM 262 N TYR A 17 7.353 -10.452 8.810 1.00 0.08 N ATOM 263 CA TYR A 17 6.739 -11.679 9.326 1.00 0.11 C ATOM 264 C TYR A 17 7.735 -12.836 9.423 1.00 0.19 C ATOM 265 O TYR A 17 7.373 -13.999 9.232 1.00 0.56 O ATOM 266 CB TYR A 17 5.531 -12.084 8.481 1.00 0.04 C ATOM 267 CG TYR A 17 4.287 -12.311 9.311 1.00 0.09 C ATOM 268 CD1 TYR A 17 4.278 -13.245 10.341 1.00 0.18 C ATOM 269 CD2 TYR A 17 3.131 -11.580 9.082 1.00 0.08 C ATOM 270 CE1 TYR A 17 3.153 -13.445 11.114 1.00 0.23 C ATOM 271 CE2 TYR A 17 1.998 -11.778 9.852 1.00 0.12 C ATOM 272 CZ TYR A 17 2.019 -12.709 10.868 1.00 0.20 C ATOM 273 OH TYR A 17 0.900 -12.902 11.647 1.00 0.25 O ATOM 0 H TYR A 17 7.235 -9.648 9.426 1.00 0.08 H new ATOM 0 HA TYR A 17 6.402 -11.457 10.339 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.333 -11.307 7.742 1.00 0.04 H new ATOM 0 HB3 TYR A 17 5.767 -12.995 7.931 1.00 0.04 H new ATOM 0 HD1 TYR A 17 5.168 -13.824 10.539 1.00 0.18 H new ATOM 0 HD2 TYR A 17 3.115 -10.845 8.291 1.00 0.08 H new ATOM 0 HE1 TYR A 17 3.164 -14.176 11.909 1.00 0.23 H new ATOM 0 HE2 TYR A 17 1.103 -11.206 9.658 1.00 0.12 H new ATOM 0 HH TYR A 17 0.099 -12.865 11.084 1.00 0.25 H new ATOM 283 N GLY A 18 8.981 -12.512 9.741 1.00 0.18 N ATOM 284 CA GLY A 18 10.006 -13.532 9.882 1.00 0.13 C ATOM 285 C GLY A 18 10.792 -13.786 8.611 1.00 0.05 C ATOM 286 O GLY A 18 11.866 -14.387 8.654 1.00 0.11 O ATOM 0 H GLY A 18 9.303 -11.558 9.905 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.696 -13.235 10.672 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.538 -14.463 10.201 1.00 0.13 H new ATOM 290 N GLN A 19 10.277 -13.332 7.479 1.00 0.05 N ATOM 291 CA GLN A 19 10.956 -13.535 6.207 1.00 0.10 C ATOM 292 C GLN A 19 11.647 -12.259 5.747 1.00 0.05 C ATOM 293 O GLN A 19 11.183 -11.157 6.023 1.00 0.08 O ATOM 294 CB GLN A 19 9.968 -14.004 5.135 1.00 0.19 C ATOM 295 CG GLN A 19 10.205 -15.430 4.656 1.00 0.14 C ATOM 296 CD GLN A 19 11.584 -15.634 4.054 1.00 0.49 C ATOM 297 OE1 GLN A 19 12.089 -14.633 3.343 1.00 0.68 O flip ATOM 298 NE2 GLN A 19 12.187 -16.695 4.216 1.00 0.67 N flip ATOM 0 H GLN A 19 9.396 -12.823 7.414 1.00 0.05 H new ATOM 0 HA GLN A 19 11.712 -14.307 6.355 1.00 0.10 H new ATOM 0 HB2 GLN A 19 8.955 -13.928 5.531 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.028 -13.330 4.281 1.00 0.19 H new ATOM 0 HG2 GLN A 19 10.076 -16.115 5.494 1.00 0.14 H new ATOM 0 HG3 GLN A 19 9.449 -15.688 3.914 1.00 0.14 H new ATOM 0 HE21 GLN A 19 11.766 -17.441 4.769 1.00 0.67 H new ATOM 0 HE22 GLN A 19 13.107 -16.828 3.797 1.00 0.67 H new ATOM 307 N ASP A 20 12.763 -12.413 5.057 1.00 0.12 N ATOM 308 CA ASP A 20 13.503 -11.275 4.544 1.00 0.10 C ATOM 309 C ASP A 20 13.005 -10.928 3.147 1.00 0.09 C ATOM 310 O ASP A 20 12.633 -11.814 2.371 1.00 0.10 O ATOM 311 CB ASP A 20 15.010 -11.560 4.522 1.00 0.17 C ATOM 312 CG ASP A 20 15.416 -12.523 3.421 1.00 0.39 C ATOM 313 OD1 ASP A 20 14.883 -13.653 3.388 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.274 -12.154 2.589 1.00 0.55 O ATOM 0 H ASP A 20 13.178 -13.319 4.839 1.00 0.12 H new ATOM 0 HA ASP A 20 13.336 -10.425 5.206 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.550 -10.622 4.394 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.310 -11.971 5.486 1.00 0.17 H new ATOM 319 N TYR A 21 12.959 -9.642 2.841 1.00 0.07 N ATOM 320 CA TYR A 21 12.495 -9.190 1.538 1.00 0.07 C ATOM 321 C TYR A 21 13.368 -8.061 1.005 1.00 0.07 C ATOM 322 O TYR A 21 13.794 -7.182 1.756 1.00 0.16 O ATOM 323 CB TYR A 21 11.034 -8.731 1.616 1.00 0.05 C ATOM 324 CG TYR A 21 10.048 -9.873 1.720 1.00 0.07 C ATOM 325 CD1 TYR A 21 9.589 -10.518 0.580 1.00 0.05 C ATOM 326 CD2 TYR A 21 9.587 -10.311 2.955 1.00 0.15 C ATOM 327 CE1 TYR A 21 8.696 -11.569 0.668 1.00 0.08 C ATOM 328 CE2 TYR A 21 8.694 -11.360 3.051 1.00 0.17 C ATOM 329 CZ TYR A 21 8.252 -11.989 1.907 1.00 0.12 C ATOM 330 OH TYR A 21 7.359 -13.031 2.001 1.00 0.15 O ATOM 0 H TYR A 21 13.237 -8.893 3.475 1.00 0.07 H new ATOM 0 HA TYR A 21 12.565 -10.032 0.850 1.00 0.07 H new ATOM 0 HB2 TYR A 21 10.913 -8.077 2.479 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.800 -8.139 0.732 1.00 0.05 H new ATOM 0 HD1 TYR A 21 9.935 -10.194 -0.390 1.00 0.05 H new ATOM 0 HD2 TYR A 21 9.933 -9.823 3.855 1.00 0.15 H new ATOM 0 HE1 TYR A 21 8.347 -12.060 -0.228 1.00 0.08 H new ATOM 0 HE2 TYR A 21 8.343 -11.686 4.019 1.00 0.17 H new ATOM 0 HH TYR A 21 7.151 -13.200 2.944 1.00 0.15 H new ATOM 340 N THR A 22 13.642 -8.104 -0.289 1.00 0.19 N ATOM 341 CA THR A 22 14.456 -7.089 -0.935 1.00 0.20 C ATOM 342 C THR A 22 13.577 -6.109 -1.704 1.00 0.21 C ATOM 343 O THR A 22 12.779 -6.519 -2.548 1.00 0.38 O ATOM 344 CB THR A 22 15.464 -7.729 -1.906 1.00 0.25 C ATOM 345 OG1 THR A 22 14.798 -8.711 -2.715 1.00 0.19 O ATOM 346 CG2 THR A 22 16.615 -8.373 -1.144 1.00 0.32 C ATOM 0 H THR A 22 13.309 -8.837 -0.916 1.00 0.19 H new ATOM 0 HA THR A 22 15.000 -6.556 -0.155 1.00 0.20 H new ATOM 0 HB THR A 22 15.874 -6.949 -2.547 1.00 0.25 H new ATOM 0 HG1 THR A 22 13.875 -8.426 -2.882 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.315 -8.819 -1.851 1.00 0.32 H new ATOM 0 HG22 THR A 22 17.129 -7.615 -0.553 1.00 0.32 H new ATOM 0 HG23 THR A 22 16.226 -9.146 -0.482 1.00 0.32 H new ATOM 354 N ILE A 23 13.728 -4.822 -1.419 1.00 0.16 N ATOM 355 CA ILE A 23 12.940 -3.796 -2.092 1.00 0.16 C ATOM 356 C ILE A 23 13.840 -2.689 -2.611 1.00 0.15 C ATOM 357 O ILE A 23 14.977 -2.533 -2.161 1.00 0.13 O ATOM 358 CB ILE A 23 11.839 -3.180 -1.190 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.443 -2.529 0.077 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.788 -4.229 -0.852 1.00 0.31 C ATOM 361 CD1 ILE A 23 12.619 -3.458 1.267 1.00 0.06 C ATOM 0 H ILE A 23 14.387 -4.464 -0.728 1.00 0.16 H new ATOM 0 HA ILE A 23 12.439 -4.296 -2.921 1.00 0.16 H new ATOM 0 HB ILE A 23 11.346 -2.380 -1.742 1.00 0.17 H new ATOM 0 HG12 ILE A 23 13.415 -2.107 -0.180 1.00 0.05 H new ATOM 0 HG13 ILE A 23 11.804 -1.698 0.378 1.00 0.05 H new ATOM 0 HG21 ILE A 23 10.021 -3.784 -0.218 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.332 -4.596 -1.771 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.258 -5.058 -0.324 1.00 0.31 H new ATOM 0 HD11 ILE A 23 13.049 -2.903 2.101 1.00 0.06 H new ATOM 0 HD12 ILE A 23 11.650 -3.861 1.560 1.00 0.06 H new ATOM 0 HD13 ILE A 23 13.285 -4.277 0.994 1.00 0.06 H new ATOM 373 N VAL A 24 13.326 -1.932 -3.565 1.00 0.16 N ATOM 374 CA VAL A 24 14.070 -0.839 -4.162 1.00 0.15 C ATOM 375 C VAL A 24 13.814 0.461 -3.404 1.00 0.15 C ATOM 376 O VAL A 24 12.712 1.008 -3.446 1.00 0.15 O ATOM 377 CB VAL A 24 13.694 -0.651 -5.647 1.00 0.17 C ATOM 378 CG1 VAL A 24 14.551 0.430 -6.286 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.841 -1.962 -6.408 1.00 0.18 C ATOM 0 H VAL A 24 12.388 -2.057 -3.945 1.00 0.16 H new ATOM 0 HA VAL A 24 15.129 -1.091 -4.100 1.00 0.15 H new ATOM 0 HB VAL A 24 12.651 -0.338 -5.696 1.00 0.17 H new ATOM 0 HG11 VAL A 24 14.269 0.546 -7.333 1.00 0.17 H new ATOM 0 HG12 VAL A 24 14.397 1.373 -5.762 1.00 0.17 H new ATOM 0 HG13 VAL A 24 15.602 0.147 -6.222 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.571 -1.808 -7.453 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.874 -2.305 -6.346 1.00 0.18 H new ATOM 0 HG23 VAL A 24 13.183 -2.713 -5.970 1.00 0.18 H new ATOM 389 N GLY A 25 14.832 0.945 -2.706 1.00 0.14 N ATOM 390 CA GLY A 25 14.696 2.171 -1.947 1.00 0.13 C ATOM 391 C GLY A 25 15.183 3.377 -2.719 1.00 0.11 C ATOM 392 O GLY A 25 16.357 3.736 -2.643 1.00 0.08 O ATOM 0 H GLY A 25 15.752 0.509 -2.652 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.650 2.314 -1.675 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.259 2.085 -1.017 1.00 0.13 H new ATOM 396 N ALA A 26 14.284 4.009 -3.459 1.00 0.15 N ATOM 397 CA ALA A 26 14.642 5.172 -4.256 1.00 0.17 C ATOM 398 C ALA A 26 14.282 6.479 -3.551 1.00 0.12 C ATOM 399 O ALA A 26 14.475 7.563 -4.102 1.00 0.19 O ATOM 400 CB ALA A 26 13.962 5.100 -5.613 1.00 0.27 C ATOM 0 H ALA A 26 13.303 3.736 -3.524 1.00 0.15 H new ATOM 0 HA ALA A 26 15.724 5.162 -4.391 1.00 0.17 H new ATOM 0 HB1 ALA A 26 14.235 5.974 -6.204 1.00 0.27 H new ATOM 0 HB2 ALA A 26 14.282 4.197 -6.133 1.00 0.27 H new ATOM 0 HB3 ALA A 26 12.881 5.077 -5.477 1.00 0.27 H new ATOM 406 N GLU A 27 13.752 6.383 -2.338 1.00 0.11 N ATOM 407 CA GLU A 27 13.380 7.580 -1.592 1.00 0.05 C ATOM 408 C GLU A 27 14.473 7.947 -0.587 1.00 0.10 C ATOM 409 O GLU A 27 15.157 8.955 -0.755 1.00 0.20 O ATOM 410 CB GLU A 27 12.031 7.386 -0.887 1.00 0.11 C ATOM 411 CG GLU A 27 11.152 8.627 -0.900 1.00 0.78 C ATOM 412 CD GLU A 27 11.844 9.843 -0.319 1.00 1.22 C ATOM 413 OE1 GLU A 27 12.130 9.842 0.898 1.00 1.46 O ATOM 414 OE2 GLU A 27 12.110 10.799 -1.075 1.00 1.58 O1- ATOM 0 H GLU A 27 13.572 5.503 -1.855 1.00 0.11 H new ATOM 0 HA GLU A 27 13.275 8.404 -2.297 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.495 6.567 -1.366 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.210 7.089 0.146 1.00 0.11 H new ATOM 0 HG2 GLU A 27 10.850 8.842 -1.925 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.242 8.428 -0.334 1.00 0.78 H new ATOM 421 N SER A 28 14.650 7.112 0.431 1.00 0.11 N ATOM 422 CA SER A 28 15.653 7.339 1.466 1.00 0.17 C ATOM 423 C SER A 28 15.784 6.090 2.336 1.00 0.18 C ATOM 424 O SER A 28 14.786 5.416 2.605 1.00 0.15 O ATOM 425 CB SER A 28 15.285 8.555 2.331 1.00 0.18 C ATOM 426 OG SER A 28 15.691 9.767 1.718 1.00 0.26 O ATOM 0 H SER A 28 14.104 6.261 0.562 1.00 0.11 H new ATOM 0 HA SER A 28 16.609 7.546 0.985 1.00 0.17 H new ATOM 0 HB2 SER A 28 14.208 8.573 2.497 1.00 0.18 H new ATOM 0 HB3 SER A 28 15.757 8.464 3.309 1.00 0.18 H new ATOM 0 HG SER A 28 15.578 9.696 0.747 1.00 0.26 H new ATOM 432 N PRO A 29 17.005 5.775 2.798 1.00 0.23 N ATOM 433 CA PRO A 29 17.279 4.592 3.634 1.00 0.26 C ATOM 434 C PRO A 29 16.434 4.547 4.908 1.00 0.28 C ATOM 435 O PRO A 29 15.946 3.488 5.303 1.00 0.34 O ATOM 436 CB PRO A 29 18.770 4.722 3.985 1.00 0.31 C ATOM 437 CG PRO A 29 19.131 6.132 3.668 1.00 0.31 C ATOM 438 CD PRO A 29 18.233 6.544 2.540 1.00 0.25 C ATOM 0 HA PRO A 29 17.031 3.672 3.104 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.947 4.499 5.037 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.372 4.023 3.405 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.988 6.776 4.536 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.180 6.211 3.381 1.00 0.31 H new ATOM 0 HD2 PRO A 29 18.045 7.618 2.545 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.666 6.300 1.570 1.00 0.25 H new ATOM 446 N ALA A 30 16.238 5.696 5.538 1.00 0.27 N ATOM 447 CA ALA A 30 15.461 5.763 6.769 1.00 0.30 C ATOM 448 C ALA A 30 13.960 5.857 6.495 1.00 0.18 C ATOM 449 O ALA A 30 13.159 5.931 7.423 1.00 0.15 O ATOM 450 CB ALA A 30 15.919 6.944 7.613 1.00 0.41 C ATOM 0 H ALA A 30 16.605 6.593 5.219 1.00 0.27 H new ATOM 0 HA ALA A 30 15.634 4.837 7.318 1.00 0.30 H new ATOM 0 HB1 ALA A 30 15.332 6.985 8.531 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.974 6.826 7.862 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.780 7.868 7.052 1.00 0.41 H new ATOM 456 N HIS A 31 13.575 5.833 5.224 1.00 0.13 N ATOM 457 CA HIS A 31 12.164 5.935 4.868 1.00 0.10 C ATOM 458 C HIS A 31 11.569 4.585 4.492 1.00 0.09 C ATOM 459 O HIS A 31 10.425 4.301 4.831 1.00 0.19 O ATOM 460 CB HIS A 31 11.963 6.933 3.727 1.00 0.21 C ATOM 461 CG HIS A 31 11.432 8.263 4.177 1.00 0.05 C ATOM 462 ND1 HIS A 31 11.393 9.373 3.360 1.00 0.28 N ATOM 463 CD2 HIS A 31 10.912 8.656 5.366 1.00 0.12 C ATOM 464 CE1 HIS A 31 10.880 10.390 4.028 1.00 0.41 C ATOM 465 NE2 HIS A 31 10.578 9.980 5.244 1.00 0.32 N ATOM 0 H HIS A 31 14.211 5.745 4.431 1.00 0.13 H new ATOM 0 HA HIS A 31 11.638 6.294 5.753 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.914 7.085 3.217 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.275 6.505 2.998 1.00 0.21 H new ATOM 0 HD1 HIS A 31 11.711 9.404 2.391 1.00 0.28 H new ATOM 0 HD2 HIS A 31 10.785 8.041 6.245 1.00 0.12 H new ATOM 0 HE1 HIS A 31 10.733 11.388 3.643 1.00 0.41 H new ATOM 474 N ILE A 32 12.339 3.743 3.814 1.00 0.08 N ATOM 475 CA ILE A 32 11.822 2.431 3.415 1.00 0.20 C ATOM 476 C ILE A 32 12.068 1.399 4.509 1.00 0.27 C ATOM 477 O ILE A 32 11.598 0.264 4.431 1.00 0.36 O ATOM 478 CB ILE A 32 12.388 1.920 2.057 1.00 0.23 C ATOM 479 CG1 ILE A 32 13.743 1.199 2.214 1.00 0.25 C ATOM 480 CG2 ILE A 32 12.475 3.050 1.034 1.00 0.18 C ATOM 481 CD1 ILE A 32 14.923 2.076 2.582 1.00 0.30 C ATOM 0 H ILE A 32 13.301 3.933 3.532 1.00 0.08 H new ATOM 0 HA ILE A 32 10.750 2.565 3.271 1.00 0.20 H new ATOM 0 HB ILE A 32 11.682 1.178 1.682 1.00 0.23 H new ATOM 0 HG12 ILE A 32 13.636 0.429 2.978 1.00 0.25 H new ATOM 0 HG13 ILE A 32 13.972 0.690 1.278 1.00 0.25 H new ATOM 0 HG21 ILE A 32 12.874 2.662 0.097 1.00 0.18 H new ATOM 0 HG22 ILE A 32 11.481 3.463 0.862 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.133 3.833 1.412 1.00 0.18 H new ATOM 0 HD11 ILE A 32 15.820 1.463 2.665 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.070 2.831 1.810 1.00 0.30 H new ATOM 0 HD13 ILE A 32 14.729 2.566 3.536 1.00 0.30 H new ATOM 493 N ARG A 33 12.783 1.811 5.545 1.00 0.25 N ATOM 494 CA ARG A 33 13.073 0.923 6.663 1.00 0.32 C ATOM 495 C ARG A 33 11.843 0.796 7.557 1.00 0.34 C ATOM 496 O ARG A 33 11.553 -0.272 8.091 1.00 0.57 O ATOM 497 CB ARG A 33 14.268 1.439 7.473 1.00 0.34 C ATOM 498 CG ARG A 33 15.348 0.396 7.687 1.00 0.38 C ATOM 499 CD ARG A 33 16.590 1.002 8.321 1.00 0.37 C ATOM 500 NE ARG A 33 16.308 1.579 9.634 1.00 0.36 N ATOM 501 CZ ARG A 33 17.243 2.039 10.468 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.528 1.962 10.141 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 16.887 2.564 11.632 1.00 0.84 N ATOM 0 H ARG A 33 13.172 2.750 5.636 1.00 0.25 H new ATOM 0 HA ARG A 33 13.330 -0.060 6.268 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.700 2.299 6.961 1.00 0.34 H new ATOM 0 HB3 ARG A 33 13.915 1.790 8.443 1.00 0.34 H new ATOM 0 HG2 ARG A 33 14.965 -0.401 8.324 1.00 0.38 H new ATOM 0 HG3 ARG A 33 15.611 -0.059 6.732 1.00 0.38 H new ATOM 0 HD2 ARG A 33 17.358 0.235 8.419 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.992 1.774 7.665 1.00 0.37 H new ATOM 0 HE ARG A 33 15.334 1.634 9.932 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.804 1.550 9.249 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.239 2.315 10.781 1.00 1.01 H new ATOM 0 HH21 ARG A 33 15.901 2.615 11.888 1.00 0.84 H new ATOM 0 HH22 ARG A 33 17.599 2.916 12.272 1.00 0.84 H new ATOM 517 N LEU A 34 11.104 1.895 7.690 1.00 0.14 N ATOM 518 CA LEU A 34 9.901 1.913 8.514 1.00 0.15 C ATOM 519 C LEU A 34 8.755 1.201 7.799 1.00 0.16 C ATOM 520 O LEU A 34 7.766 0.803 8.424 1.00 0.17 O ATOM 521 CB LEU A 34 9.511 3.358 8.865 1.00 0.13 C ATOM 522 CG LEU A 34 9.098 4.240 7.684 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.583 4.301 7.557 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.674 5.639 7.838 1.00 0.04 C ATOM 0 H LEU A 34 11.318 2.784 7.237 1.00 0.14 H new ATOM 0 HA LEU A 34 10.108 1.381 9.443 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.688 3.329 9.579 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.354 3.830 9.370 1.00 0.13 H new ATOM 0 HG LEU A 34 9.499 3.797 6.772 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.314 4.933 6.711 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.190 3.297 7.398 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.158 4.717 8.470 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.371 6.253 6.990 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.303 6.086 8.760 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.762 5.583 7.874 1.00 0.04 H new ATOM 536 N VAL A 35 8.906 1.034 6.487 1.00 0.16 N ATOM 537 CA VAL A 35 7.902 0.368 5.665 1.00 0.16 C ATOM 538 C VAL A 35 7.678 -1.056 6.143 1.00 0.13 C ATOM 539 O VAL A 35 6.541 -1.515 6.265 1.00 0.12 O ATOM 540 CB VAL A 35 8.327 0.333 4.180 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.353 -0.494 3.360 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.427 1.735 3.619 1.00 0.25 C ATOM 0 H VAL A 35 9.723 1.355 5.968 1.00 0.16 H new ATOM 0 HA VAL A 35 6.978 0.938 5.759 1.00 0.16 H new ATOM 0 HB VAL A 35 9.310 -0.134 4.122 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.672 -0.505 2.318 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.330 -1.514 3.743 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.357 -0.058 3.430 1.00 0.18 H new ATOM 0 HG21 VAL A 35 8.728 1.687 2.572 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.458 2.228 3.696 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.168 2.301 4.184 1.00 0.25 H new ATOM 552 N ALA A 36 8.776 -1.744 6.422 1.00 0.14 N ATOM 553 CA ALA A 36 8.725 -3.124 6.892 1.00 0.15 C ATOM 554 C ALA A 36 7.847 -3.253 8.132 1.00 0.12 C ATOM 555 O ALA A 36 6.968 -4.109 8.191 1.00 0.11 O ATOM 556 CB ALA A 36 10.126 -3.629 7.186 1.00 0.18 C ATOM 0 H ALA A 36 9.719 -1.367 6.331 1.00 0.14 H new ATOM 0 HA ALA A 36 8.285 -3.733 6.103 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.075 -4.660 7.536 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.727 -3.583 6.278 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.583 -3.007 7.955 1.00 0.18 H new ATOM 562 N ALA A 37 8.075 -2.375 9.104 1.00 0.13 N ATOM 563 CA ALA A 37 7.317 -2.387 10.349 1.00 0.11 C ATOM 564 C ALA A 37 5.839 -2.090 10.105 1.00 0.14 C ATOM 565 O ALA A 37 4.966 -2.666 10.756 1.00 0.20 O ATOM 566 CB ALA A 37 7.904 -1.378 11.323 1.00 0.13 C ATOM 0 H ALA A 37 8.783 -1.643 9.052 1.00 0.13 H new ATOM 0 HA ALA A 37 7.388 -3.386 10.779 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.332 -1.393 12.251 1.00 0.13 H new ATOM 0 HB2 ALA A 37 8.942 -1.636 11.532 1.00 0.13 H new ATOM 0 HB3 ALA A 37 7.859 -0.381 10.885 1.00 0.13 H new ATOM 572 N PHE A 38 5.570 -1.199 9.157 1.00 0.15 N ATOM 573 CA PHE A 38 4.204 -0.814 8.818 1.00 0.21 C ATOM 574 C PHE A 38 3.413 -2.010 8.291 1.00 0.21 C ATOM 575 O PHE A 38 2.290 -2.275 8.735 1.00 0.28 O ATOM 576 CB PHE A 38 4.226 0.305 7.767 1.00 0.26 C ATOM 577 CG PHE A 38 2.926 1.056 7.633 1.00 0.34 C ATOM 578 CD1 PHE A 38 1.876 0.537 6.887 1.00 0.35 C ATOM 579 CD2 PHE A 38 2.755 2.286 8.251 1.00 0.41 C ATOM 580 CE1 PHE A 38 0.685 1.230 6.762 1.00 0.43 C ATOM 581 CE2 PHE A 38 1.567 2.982 8.128 1.00 0.50 C ATOM 582 CZ PHE A 38 0.530 2.453 7.386 1.00 0.50 C ATOM 0 H PHE A 38 6.286 -0.726 8.605 1.00 0.15 H new ATOM 0 HA PHE A 38 3.713 -0.453 9.722 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.016 1.012 8.022 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.484 -0.126 6.800 1.00 0.26 H new ATOM 0 HD1 PHE A 38 1.990 -0.419 6.398 1.00 0.35 H new ATOM 0 HD2 PHE A 38 3.560 2.705 8.836 1.00 0.41 H new ATOM 0 HE1 PHE A 38 -0.123 0.815 6.177 1.00 0.43 H new ATOM 0 HE2 PHE A 38 1.450 3.940 8.613 1.00 0.50 H new ATOM 0 HZ PHE A 38 -0.400 2.994 7.293 1.00 0.50 H new ATOM 592 N VAL A 39 4.015 -2.731 7.355 1.00 0.16 N ATOM 593 CA VAL A 39 3.381 -3.894 6.746 1.00 0.17 C ATOM 594 C VAL A 39 3.341 -5.080 7.710 1.00 0.16 C ATOM 595 O VAL A 39 2.321 -5.764 7.817 1.00 0.18 O ATOM 596 CB VAL A 39 4.109 -4.303 5.446 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.442 -5.506 4.795 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.156 -3.131 4.481 1.00 0.15 C ATOM 0 H VAL A 39 4.949 -2.529 6.998 1.00 0.16 H new ATOM 0 HA VAL A 39 2.356 -3.611 6.505 1.00 0.17 H new ATOM 0 HB VAL A 39 5.129 -4.588 5.703 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.977 -5.769 3.883 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.462 -6.350 5.484 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.408 -5.261 4.551 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.671 -3.431 3.569 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.140 -2.819 4.238 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.690 -2.301 4.943 1.00 0.15 H new ATOM 608 N ASP A 40 4.446 -5.305 8.417 1.00 0.12 N ATOM 609 CA ASP A 40 4.547 -6.406 9.379 1.00 0.11 C ATOM 610 C ASP A 40 3.414 -6.338 10.400 1.00 0.12 C ATOM 611 O ASP A 40 2.738 -7.335 10.670 1.00 0.13 O ATOM 612 CB ASP A 40 5.898 -6.355 10.100 1.00 0.09 C ATOM 613 CG ASP A 40 6.159 -7.574 10.963 1.00 0.09 C ATOM 614 OD1 ASP A 40 5.698 -7.603 12.122 1.00 1.14 O1- ATOM 615 OD2 ASP A 40 6.853 -8.500 10.497 1.00 1.03 O ATOM 0 H ASP A 40 5.290 -4.737 8.343 1.00 0.12 H new ATOM 0 HA ASP A 40 4.467 -7.345 8.832 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.694 -6.263 9.361 1.00 0.09 H new ATOM 0 HB3 ASP A 40 5.937 -5.461 10.723 1.00 0.09 H new ATOM 620 N ASP A 41 3.202 -5.145 10.944 1.00 0.12 N ATOM 621 CA ASP A 41 2.155 -4.917 11.934 1.00 0.13 C ATOM 622 C ASP A 41 0.771 -5.171 11.343 1.00 0.09 C ATOM 623 O ASP A 41 -0.056 -5.851 11.949 1.00 0.07 O ATOM 624 CB ASP A 41 2.240 -3.475 12.459 1.00 0.16 C ATOM 625 CG ASP A 41 0.961 -3.012 13.131 1.00 0.13 C ATOM 626 OD1 ASP A 41 0.650 -3.502 14.239 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 0.263 -2.145 12.558 1.00 0.22 O ATOM 0 H ASP A 41 3.746 -4.314 10.714 1.00 0.12 H new ATOM 0 HA ASP A 41 2.307 -5.616 12.756 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.064 -3.401 13.169 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.471 -2.806 11.630 1.00 0.16 H new ATOM 632 N LYS A 42 0.538 -4.643 10.145 1.00 0.10 N ATOM 633 CA LYS A 42 -0.752 -4.793 9.481 1.00 0.11 C ATOM 634 C LYS A 42 -1.061 -6.259 9.177 1.00 0.03 C ATOM 635 O LYS A 42 -2.171 -6.730 9.421 1.00 0.07 O ATOM 636 CB LYS A 42 -0.786 -3.961 8.196 1.00 0.19 C ATOM 637 CG LYS A 42 -2.167 -3.856 7.571 1.00 0.26 C ATOM 638 CD LYS A 42 -2.399 -2.493 6.934 1.00 0.28 C ATOM 639 CE LYS A 42 -2.707 -1.427 7.979 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.909 -1.767 8.786 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.226 -4.108 9.615 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.522 -4.428 10.161 1.00 0.11 H new ATOM 0 HB2 LYS A 42 -0.418 -2.958 8.413 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -0.101 -4.401 7.471 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -2.284 -4.634 6.817 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.925 -4.034 8.334 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.515 -2.201 6.366 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -3.225 -2.558 6.226 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -1.848 -1.309 8.640 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -2.862 -0.468 7.484 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -4.172 -0.952 9.377 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -4.698 -2.004 8.151 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -3.698 -2.583 9.396 1.00 0.38 H new ATOM 654 N MET A 43 -0.078 -6.982 8.659 1.00 0.07 N ATOM 655 CA MET A 43 -0.265 -8.391 8.330 1.00 0.12 C ATOM 656 C MET A 43 -0.568 -9.204 9.581 1.00 0.16 C ATOM 657 O MET A 43 -1.457 -10.055 9.580 1.00 0.35 O ATOM 658 CB MET A 43 0.969 -8.965 7.634 1.00 0.18 C ATOM 659 CG MET A 43 1.126 -8.521 6.191 1.00 0.16 C ATOM 660 SD MET A 43 2.500 -9.345 5.361 1.00 0.26 S ATOM 661 CE MET A 43 1.986 -11.060 5.454 1.00 0.29 C ATOM 0 H MET A 43 0.854 -6.620 8.458 1.00 0.07 H new ATOM 0 HA MET A 43 -1.113 -8.456 7.648 1.00 0.12 H new ATOM 0 HB2 MET A 43 1.858 -8.672 8.192 1.00 0.18 H new ATOM 0 HB3 MET A 43 0.918 -10.053 7.665 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.203 -8.725 5.649 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.281 -7.443 6.161 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.702 -11.684 4.919 1.00 0.29 H new ATOM 0 HE2 MET A 43 1.943 -11.371 6.498 1.00 0.29 H new ATOM 0 HE3 MET A 43 1.000 -11.169 5.002 1.00 0.29 H new ATOM 671 N HIS A 44 0.165 -8.925 10.651 1.00 0.02 N ATOM 672 CA HIS A 44 -0.009 -9.645 11.907 1.00 0.04 C ATOM 673 C HIS A 44 -1.356 -9.336 12.560 1.00 0.05 C ATOM 674 O HIS A 44 -1.989 -10.219 13.139 1.00 0.20 O ATOM 675 CB HIS A 44 1.128 -9.308 12.875 1.00 0.08 C ATOM 676 CG HIS A 44 1.180 -10.214 14.065 1.00 0.11 C ATOM 677 ND1 HIS A 44 1.094 -11.584 13.975 1.00 0.27 N ATOM 678 CD2 HIS A 44 1.292 -9.933 15.381 1.00 0.29 C ATOM 679 CE1 HIS A 44 1.146 -12.107 15.183 1.00 0.38 C ATOM 680 NE2 HIS A 44 1.270 -11.126 16.059 1.00 0.40 N ATOM 0 H HIS A 44 0.887 -8.205 10.675 1.00 0.02 H new ATOM 0 HA HIS A 44 0.013 -10.710 11.677 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.078 -9.364 12.343 1.00 0.08 H new ATOM 0 HB3 HIS A 44 1.013 -8.279 13.215 1.00 0.08 H new ATOM 0 HD1 HIS A 44 1.004 -12.113 13.107 1.00 0.27 H new ATOM 0 HD2 HIS A 44 1.382 -8.950 15.819 1.00 0.29 H new ATOM 0 HE1 HIS A 44 1.096 -13.160 15.418 1.00 0.38 H new ATOM 689 N GLU A 45 -1.801 -8.093 12.456 1.00 0.16 N ATOM 690 CA GLU A 45 -3.063 -7.689 13.064 1.00 0.15 C ATOM 691 C GLU A 45 -4.265 -8.289 12.333 1.00 0.15 C ATOM 692 O GLU A 45 -5.298 -8.562 12.948 1.00 0.17 O ATOM 693 CB GLU A 45 -3.170 -6.161 13.115 1.00 0.12 C ATOM 694 CG GLU A 45 -3.664 -5.512 11.826 1.00 0.09 C ATOM 695 CD GLU A 45 -3.700 -4.001 11.907 1.00 0.12 C ATOM 696 OE1 GLU A 45 -3.935 -3.466 13.009 1.00 0.16 O ATOM 697 OE2 GLU A 45 -3.503 -3.339 10.868 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.311 -7.349 11.959 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.075 -8.076 14.083 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -3.844 -5.885 13.926 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.191 -5.750 13.360 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -3.016 -5.812 11.002 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.663 -5.883 11.597 1.00 0.09 H new ATOM 704 N PHE A 46 -4.136 -8.507 11.033 1.00 0.15 N ATOM 705 CA PHE A 46 -5.235 -9.068 10.255 1.00 0.14 C ATOM 706 C PHE A 46 -5.165 -10.588 10.201 1.00 0.16 C ATOM 707 O PHE A 46 -6.038 -11.239 9.626 1.00 0.17 O ATOM 708 CB PHE A 46 -5.252 -8.480 8.845 1.00 0.14 C ATOM 709 CG PHE A 46 -5.919 -7.133 8.786 1.00 0.15 C ATOM 710 CD1 PHE A 46 -7.293 -7.025 8.904 1.00 0.13 C ATOM 711 CD2 PHE A 46 -5.169 -5.981 8.629 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.911 -5.790 8.873 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.779 -4.740 8.593 1.00 0.19 C ATOM 714 CZ PHE A 46 -7.153 -4.645 8.714 1.00 0.17 C ATOM 0 H PHE A 46 -3.291 -8.307 10.497 1.00 0.15 H new ATOM 0 HA PHE A 46 -6.165 -8.798 10.756 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -4.229 -8.390 8.481 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -5.770 -9.167 8.175 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.890 -7.917 9.022 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -4.096 -6.051 8.534 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.984 -5.719 8.973 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -5.183 -3.847 8.471 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.633 -3.678 8.684 1.00 0.17 H new ATOM 724 N SER A 47 -4.141 -11.156 10.820 1.00 0.21 N ATOM 725 CA SER A 47 -3.973 -12.602 10.840 1.00 0.23 C ATOM 726 C SER A 47 -5.113 -13.267 11.618 1.00 0.21 C ATOM 727 O SER A 47 -5.420 -14.441 11.407 1.00 0.32 O ATOM 728 CB SER A 47 -2.625 -12.974 11.461 1.00 0.25 C ATOM 729 OG SER A 47 -1.545 -12.435 10.711 1.00 0.76 O ATOM 0 H SER A 47 -3.414 -10.639 11.315 1.00 0.21 H new ATOM 0 HA SER A 47 -3.998 -12.963 9.812 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.580 -12.604 12.485 1.00 0.25 H new ATOM 0 HB3 SER A 47 -2.531 -14.059 11.509 1.00 0.25 H new ATOM 0 HG SER A 47 -1.777 -11.534 10.404 1.00 0.76 H new ATOM 735 N GLU A 48 -5.746 -12.500 12.500 1.00 0.09 N ATOM 736 CA GLU A 48 -6.851 -13.004 13.307 1.00 0.08 C ATOM 737 C GLU A 48 -8.128 -13.134 12.476 1.00 0.10 C ATOM 738 O GLU A 48 -9.034 -13.889 12.830 1.00 0.07 O ATOM 739 CB GLU A 48 -7.108 -12.080 14.500 1.00 0.11 C ATOM 740 CG GLU A 48 -7.561 -10.682 14.098 1.00 0.06 C ATOM 741 CD GLU A 48 -8.237 -9.940 15.230 1.00 0.28 C ATOM 742 OE1 GLU A 48 -7.909 -10.211 16.403 1.00 0.61 O ATOM 743 OE2 GLU A 48 -9.088 -9.072 14.953 1.00 0.49 O1- ATOM 0 H GLU A 48 -5.511 -11.523 12.674 1.00 0.09 H new ATOM 0 HA GLU A 48 -6.570 -13.993 13.670 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -7.867 -12.529 15.141 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.196 -12.002 15.092 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -6.699 -10.109 13.757 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -8.248 -10.755 13.255 1.00 0.06 H new ATOM 750 N LYS A 49 -8.193 -12.396 11.372 1.00 0.14 N ATOM 751 CA LYS A 49 -9.358 -12.427 10.500 1.00 0.18 C ATOM 752 C LYS A 49 -9.462 -13.765 9.786 1.00 0.27 C ATOM 753 O LYS A 49 -10.479 -14.449 9.886 1.00 0.38 O ATOM 754 CB LYS A 49 -9.289 -11.294 9.474 1.00 0.12 C ATOM 755 CG LYS A 49 -9.787 -9.954 9.991 1.00 0.20 C ATOM 756 CD LYS A 49 -11.291 -9.973 10.235 1.00 0.43 C ATOM 757 CE LYS A 49 -11.893 -8.577 10.181 1.00 0.64 C ATOM 758 NZ LYS A 49 -13.364 -8.597 10.402 1.00 0.88 N1+ ATOM 0 H LYS A 49 -7.451 -11.769 11.061 1.00 0.14 H new ATOM 0 HA LYS A 49 -10.246 -12.292 11.118 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.257 -11.182 9.142 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.876 -11.574 8.600 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -9.270 -9.706 10.918 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -9.544 -9.172 9.271 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -11.772 -10.605 9.488 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -11.495 -10.419 11.209 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -11.421 -7.949 10.937 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.678 -8.126 9.212 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -13.735 -7.626 10.357 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -13.818 -9.175 9.666 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -13.569 -9.003 11.337 1.00 0.88 H new ATOM 772 N GLN A 50 -8.393 -14.132 9.080 1.00 0.30 N ATOM 773 CA GLN A 50 -8.340 -15.389 8.338 1.00 0.41 C ATOM 774 C GLN A 50 -9.529 -15.505 7.379 1.00 0.29 C ATOM 775 O GLN A 50 -10.451 -16.283 7.612 1.00 0.47 O ATOM 776 CB GLN A 50 -8.307 -16.570 9.314 1.00 0.63 C ATOM 777 CG GLN A 50 -7.151 -17.534 9.090 1.00 0.78 C ATOM 778 CD GLN A 50 -6.002 -16.917 8.314 1.00 0.93 C ATOM 779 OE1 GLN A 50 -5.970 -16.962 7.082 1.00 0.94 O ATOM 780 NE2 GLN A 50 -5.049 -16.344 9.028 1.00 1.07 N ATOM 0 H GLN A 50 -7.545 -13.570 9.007 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.429 -15.405 7.740 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -8.251 -16.184 10.332 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -9.245 -17.120 9.233 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -6.784 -17.882 10.056 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -7.515 -18.410 8.553 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -5.114 -16.328 10.046 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -4.249 -15.917 8.561 1.00 1.07 H new ATOM 789 N PRO A 51 -9.515 -14.730 6.277 1.00 0.11 N ATOM 790 CA PRO A 51 -10.608 -14.729 5.303 1.00 0.09 C ATOM 791 C PRO A 51 -10.747 -16.053 4.556 1.00 0.05 C ATOM 792 O PRO A 51 -11.845 -16.589 4.431 1.00 0.20 O ATOM 793 CB PRO A 51 -10.238 -13.599 4.336 1.00 0.32 C ATOM 794 CG PRO A 51 -8.765 -13.424 4.480 1.00 0.44 C ATOM 795 CD PRO A 51 -8.431 -13.800 5.898 1.00 0.34 C ATOM 0 HA PRO A 51 -11.572 -14.589 5.792 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -10.505 -13.855 3.311 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -10.769 -12.680 4.583 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -8.228 -14.056 3.773 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -8.474 -12.394 4.272 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.453 -14.276 5.967 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -8.407 -12.926 6.549 1.00 0.34 H new ATOM 803 N MET A 52 -9.633 -16.589 4.074 1.00 0.10 N ATOM 804 CA MET A 52 -9.659 -17.842 3.326 1.00 0.14 C ATOM 805 C MET A 52 -8.793 -18.901 3.999 1.00 0.14 C ATOM 806 O MET A 52 -8.506 -19.943 3.405 1.00 0.16 O ATOM 807 CB MET A 52 -9.179 -17.614 1.887 1.00 0.25 C ATOM 808 CG MET A 52 -10.057 -16.663 1.084 1.00 0.17 C ATOM 809 SD MET A 52 -11.728 -17.292 0.840 1.00 0.22 S ATOM 810 CE MET A 52 -12.447 -15.961 -0.123 1.00 1.11 C ATOM 0 H MET A 52 -8.705 -16.180 4.186 1.00 0.10 H new ATOM 0 HA MET A 52 -10.688 -18.200 3.308 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.163 -17.220 1.912 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.136 -18.574 1.373 1.00 0.25 H new ATOM 0 HG2 MET A 52 -10.107 -15.702 1.596 1.00 0.17 H new ATOM 0 HG3 MET A 52 -9.596 -16.483 0.113 1.00 0.17 H new ATOM 0 HE1 MET A 52 -13.485 -16.200 -0.356 1.00 1.11 H new ATOM 0 HE2 MET A 52 -12.408 -15.035 0.450 1.00 1.11 H new ATOM 0 HE3 MET A 52 -11.886 -15.838 -1.050 1.00 1.11 H new ATOM 820 N LEU A 53 -8.389 -18.624 5.240 1.00 0.15 N ATOM 821 CA LEU A 53 -7.546 -19.535 6.019 1.00 0.17 C ATOM 822 C LEU A 53 -6.332 -19.975 5.214 1.00 0.20 C ATOM 823 O LEU A 53 -6.180 -21.151 4.886 1.00 0.41 O ATOM 824 CB LEU A 53 -8.346 -20.759 6.485 1.00 0.19 C ATOM 825 CG LEU A 53 -9.112 -20.586 7.799 1.00 0.36 C ATOM 826 CD1 LEU A 53 -10.240 -19.578 7.642 1.00 0.31 C ATOM 827 CD2 LEU A 53 -9.651 -21.925 8.272 1.00 0.51 C ATOM 0 H LEU A 53 -8.635 -17.765 5.733 1.00 0.15 H new ATOM 0 HA LEU A 53 -7.199 -18.994 6.899 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -9.057 -21.026 5.703 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.660 -21.600 6.593 1.00 0.19 H new ATOM 0 HG LEU A 53 -8.423 -20.202 8.551 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.769 -19.473 8.589 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -9.827 -18.613 7.348 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -10.934 -19.925 6.876 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -10.194 -21.789 9.207 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -10.324 -22.333 7.518 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -8.822 -22.615 8.431 1.00 0.51 H new ATOM 839 N ASP A 54 -5.470 -19.019 4.902 1.00 0.04 N ATOM 840 CA ASP A 54 -4.282 -19.292 4.105 1.00 0.08 C ATOM 841 C ASP A 54 -3.356 -18.079 4.128 1.00 0.06 C ATOM 842 O ASP A 54 -3.827 -16.939 4.130 1.00 0.07 O ATOM 843 CB ASP A 54 -4.706 -19.627 2.676 1.00 0.12 C ATOM 844 CG ASP A 54 -3.580 -20.137 1.808 1.00 0.14 C ATOM 845 OD1 ASP A 54 -2.570 -20.626 2.356 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.709 -20.054 0.565 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.571 -18.045 5.189 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.740 -20.142 4.520 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.496 -20.378 2.708 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.132 -18.736 2.215 1.00 0.12 H new ATOM 851 N VAL A 55 -2.052 -18.327 4.131 1.00 0.06 N ATOM 852 CA VAL A 55 -1.057 -17.254 4.184 1.00 0.07 C ATOM 853 C VAL A 55 -1.155 -16.284 2.992 1.00 0.06 C ATOM 854 O VAL A 55 -1.316 -15.081 3.203 1.00 0.06 O ATOM 855 CB VAL A 55 0.379 -17.814 4.287 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.390 -16.685 4.425 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.494 -18.775 5.457 1.00 0.13 C ATOM 0 H VAL A 55 -1.654 -19.265 4.097 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.284 -16.688 5.088 1.00 0.07 H new ATOM 0 HB VAL A 55 0.598 -18.359 3.369 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.394 -17.103 4.496 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.329 -16.033 3.554 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.172 -16.109 5.325 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.512 -19.159 5.514 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.251 -18.252 6.382 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.199 -19.604 5.316 1.00 0.13 H new ATOM 867 N PRO A 56 -1.061 -16.765 1.727 1.00 0.05 N ATOM 868 CA PRO A 56 -1.145 -15.891 0.548 1.00 0.04 C ATOM 869 C PRO A 56 -2.438 -15.084 0.504 1.00 0.04 C ATOM 870 O PRO A 56 -2.451 -13.940 0.050 1.00 0.04 O ATOM 871 CB PRO A 56 -1.086 -16.852 -0.649 1.00 0.05 C ATOM 872 CG PRO A 56 -1.328 -18.210 -0.085 1.00 0.06 C ATOM 873 CD PRO A 56 -0.840 -18.170 1.332 1.00 0.06 C ATOM 0 HA PRO A 56 -0.342 -15.154 0.554 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.840 -16.597 -1.394 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.117 -16.801 -1.145 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.387 -18.464 -0.124 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.796 -18.970 -0.658 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.395 -18.859 1.968 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.212 -18.447 1.403 1.00 0.06 H new ATOM 881 N LYS A 57 -3.515 -15.677 1.005 1.00 0.05 N ATOM 882 CA LYS A 57 -4.819 -15.025 1.014 1.00 0.05 C ATOM 883 C LYS A 57 -4.862 -13.906 2.052 1.00 0.06 C ATOM 884 O LYS A 57 -5.604 -12.940 1.910 1.00 0.08 O ATOM 885 CB LYS A 57 -5.920 -16.046 1.296 1.00 0.06 C ATOM 886 CG LYS A 57 -5.777 -17.333 0.498 1.00 0.09 C ATOM 887 CD LYS A 57 -6.099 -17.135 -0.973 1.00 0.11 C ATOM 888 CE LYS A 57 -5.451 -18.213 -1.832 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.677 -19.580 -1.289 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.511 -16.612 1.412 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.986 -14.586 0.030 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.918 -16.286 2.359 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.887 -15.596 1.073 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -4.759 -17.709 0.598 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.439 -18.092 0.914 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -7.179 -17.153 -1.117 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -5.751 -16.153 -1.294 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -5.850 -18.156 -2.845 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -4.380 -18.024 -1.901 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -5.698 -20.265 -2.071 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -4.907 -19.825 -0.634 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -6.584 -19.606 -0.782 1.00 0.10 H new ATOM 903 N LEU A 58 -4.056 -14.049 3.097 1.00 0.05 N ATOM 904 CA LEU A 58 -3.989 -13.049 4.152 1.00 0.06 C ATOM 905 C LEU A 58 -3.093 -11.893 3.710 1.00 0.06 C ATOM 906 O LEU A 58 -3.436 -10.725 3.879 1.00 0.08 O ATOM 907 CB LEU A 58 -3.461 -13.697 5.448 1.00 0.06 C ATOM 908 CG LEU A 58 -3.338 -12.799 6.697 1.00 0.11 C ATOM 909 CD1 LEU A 58 -2.020 -12.033 6.708 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.516 -11.840 6.817 1.00 0.17 C ATOM 0 H LEU A 58 -3.439 -14.850 3.235 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.985 -12.653 4.348 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -4.116 -14.532 5.697 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -2.477 -14.116 5.237 1.00 0.06 H new ATOM 0 HG LEU A 58 -3.352 -13.459 7.565 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -1.968 -11.411 7.602 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.189 -12.739 6.708 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -1.959 -11.401 5.822 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -4.394 -11.224 7.708 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -4.555 -11.200 5.936 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -5.442 -12.409 6.893 1.00 0.17 H new ATOM 922 N ALA A 59 -1.954 -12.240 3.126 1.00 0.05 N ATOM 923 CA ALA A 59 -0.992 -11.251 2.662 1.00 0.06 C ATOM 924 C ALA A 59 -1.591 -10.330 1.600 1.00 0.08 C ATOM 925 O ALA A 59 -1.440 -9.106 1.665 1.00 0.11 O ATOM 926 CB ALA A 59 0.246 -11.952 2.126 1.00 0.06 C ATOM 0 H ALA A 59 -1.673 -13.207 2.962 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.714 -10.625 3.510 1.00 0.06 H new ATOM 0 HB1 ALA A 59 0.964 -11.208 1.780 1.00 0.06 H new ATOM 0 HB2 ALA A 59 0.697 -12.550 2.918 1.00 0.06 H new ATOM 0 HB3 ALA A 59 -0.034 -12.601 1.296 1.00 0.06 H new ATOM 932 N VAL A 60 -2.283 -10.919 0.633 1.00 0.05 N ATOM 933 CA VAL A 60 -2.900 -10.146 -0.442 1.00 0.07 C ATOM 934 C VAL A 60 -4.031 -9.267 0.097 1.00 0.07 C ATOM 935 O VAL A 60 -4.334 -8.210 -0.463 1.00 0.08 O ATOM 936 CB VAL A 60 -3.427 -11.065 -1.568 1.00 0.07 C ATOM 937 CG1 VAL A 60 -4.645 -11.849 -1.113 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.743 -10.261 -2.818 1.00 0.08 C ATOM 0 H VAL A 60 -2.432 -11.926 0.569 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.129 -9.502 -0.864 1.00 0.07 H new ATOM 0 HB VAL A 60 -2.640 -11.779 -1.810 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.992 -12.486 -1.926 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -4.380 -12.468 -0.256 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -5.438 -11.157 -0.830 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -4.112 -10.929 -3.596 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.504 -9.516 -2.588 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -2.840 -9.761 -3.167 1.00 0.08 H new ATOM 948 N LEU A 61 -4.628 -9.692 1.205 1.00 0.07 N ATOM 949 CA LEU A 61 -5.710 -8.948 1.827 1.00 0.08 C ATOM 950 C LEU A 61 -5.199 -7.601 2.325 1.00 0.08 C ATOM 951 O LEU A 61 -5.782 -6.556 2.043 1.00 0.08 O ATOM 952 CB LEU A 61 -6.299 -9.752 2.990 1.00 0.10 C ATOM 953 CG LEU A 61 -7.470 -9.088 3.714 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.763 -9.273 2.934 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.608 -9.641 5.126 1.00 0.07 C ATOM 0 H LEU A 61 -4.377 -10.553 1.691 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.492 -8.776 1.087 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.628 -10.720 2.612 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.508 -9.946 3.714 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.267 -8.019 3.783 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.582 -8.792 3.468 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.660 -8.823 1.947 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.974 -10.337 2.827 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.447 -9.157 5.626 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.784 -10.716 5.080 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.692 -9.447 5.684 1.00 0.07 H new ATOM 967 N THR A 62 -4.094 -7.634 3.056 1.00 0.10 N ATOM 968 CA THR A 62 -3.497 -6.421 3.581 1.00 0.11 C ATOM 969 C THR A 62 -2.896 -5.567 2.469 1.00 0.10 C ATOM 970 O THR A 62 -2.847 -4.345 2.581 1.00 0.13 O ATOM 971 CB THR A 62 -2.414 -6.745 4.624 1.00 0.13 C ATOM 972 OG1 THR A 62 -1.673 -7.910 4.221 1.00 0.12 O ATOM 973 CG2 THR A 62 -3.035 -6.990 5.990 1.00 0.15 C ATOM 0 H THR A 62 -3.595 -8.490 3.298 1.00 0.10 H new ATOM 0 HA THR A 62 -4.295 -5.855 4.061 1.00 0.11 H new ATOM 0 HB THR A 62 -1.742 -5.889 4.691 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.682 -7.982 3.244 1.00 0.12 H new ATOM 0 HG21 THR A 62 -2.250 -7.217 6.711 1.00 0.15 H new ATOM 0 HG22 THR A 62 -3.574 -6.098 6.310 1.00 0.15 H new ATOM 0 HG23 THR A 62 -3.727 -7.830 5.930 1.00 0.15 H new ATOM 981 N ALA A 63 -2.459 -6.216 1.392 1.00 0.08 N ATOM 982 CA ALA A 63 -1.854 -5.515 0.261 1.00 0.08 C ATOM 983 C ALA A 63 -2.823 -4.497 -0.337 1.00 0.07 C ATOM 984 O ALA A 63 -2.472 -3.332 -0.529 1.00 0.08 O ATOM 985 CB ALA A 63 -1.400 -6.503 -0.807 1.00 0.08 C ATOM 0 H ALA A 63 -2.513 -7.228 1.278 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.981 -4.978 0.632 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.953 -5.959 -1.639 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.664 -7.185 -0.382 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.258 -7.072 -1.165 1.00 0.08 H new ATOM 991 N VAL A 64 -4.045 -4.941 -0.614 1.00 0.07 N ATOM 992 CA VAL A 64 -5.062 -4.064 -1.190 1.00 0.08 C ATOM 993 C VAL A 64 -5.530 -3.026 -0.166 1.00 0.09 C ATOM 994 O VAL A 64 -5.917 -1.908 -0.524 1.00 0.12 O ATOM 995 CB VAL A 64 -6.270 -4.872 -1.740 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.041 -5.560 -0.624 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.193 -3.981 -2.559 1.00 0.12 C ATOM 0 H VAL A 64 -4.356 -5.899 -0.450 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.604 -3.540 -2.029 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.871 -5.648 -2.393 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.878 -6.115 -1.048 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.381 -6.248 -0.096 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.418 -4.811 0.073 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.030 -4.570 -2.933 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.569 -3.173 -1.932 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.641 -3.561 -3.400 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.466 -3.390 1.108 1.00 0.08 N ATOM 1008 CA GLN A 65 -5.867 -2.489 2.174 1.00 0.09 C ATOM 1009 C GLN A 65 -4.870 -1.348 2.313 1.00 0.07 C ATOM 1010 O GLN A 65 -5.260 -0.189 2.403 1.00 0.12 O ATOM 1011 CB GLN A 65 -5.986 -3.243 3.494 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.308 -3.981 3.655 1.00 0.10 C ATOM 1013 CD GLN A 65 -7.245 -5.049 4.725 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -6.410 -4.990 5.623 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -8.126 -6.028 4.638 1.00 0.31 N ATOM 0 H GLN A 65 -5.140 -4.303 1.426 1.00 0.08 H new ATOM 0 HA GLN A 65 -6.841 -2.072 1.919 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.168 -3.959 3.569 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.870 -2.538 4.318 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -8.092 -3.266 3.905 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.584 -4.438 2.705 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -8.803 -6.039 3.875 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -8.130 -6.774 5.334 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.583 -1.689 2.306 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.518 -0.699 2.424 1.00 0.03 C ATOM 1026 C ILE A 66 -2.652 0.373 1.344 1.00 0.05 C ATOM 1027 O ILE A 66 -2.544 1.567 1.622 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.124 -1.367 2.335 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -0.861 -2.193 3.597 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.031 -0.322 2.143 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.323 -3.130 3.485 1.00 1.29 C ATOM 0 H ILE A 66 -3.253 -2.650 2.219 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.613 -0.227 3.402 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.111 -2.029 1.469 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.697 -1.515 4.435 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.752 -2.776 3.829 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.939 -0.816 2.083 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.214 0.231 1.221 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.035 0.368 2.987 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.443 -3.679 4.419 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.154 -3.834 2.670 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.226 -2.553 3.285 1.00 1.29 H new ATOM 1043 N ALA A 67 -2.917 -0.064 0.116 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.082 0.860 -0.998 1.00 0.05 C ATOM 1045 C ALA A 67 -4.246 1.808 -0.737 1.00 0.04 C ATOM 1046 O ALA A 67 -4.113 3.021 -0.876 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.298 0.094 -2.294 1.00 0.06 C ATOM 0 H ALA A 67 -3.021 -1.048 -0.131 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.172 1.452 -1.094 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.420 0.798 -3.117 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.436 -0.545 -2.487 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.193 -0.522 -2.208 1.00 0.06 H new ATOM 1053 N SER A 68 -5.377 1.243 -0.323 1.00 0.05 N ATOM 1054 CA SER A 68 -6.572 2.025 -0.032 1.00 0.07 C ATOM 1055 C SER A 68 -6.327 2.993 1.129 1.00 0.08 C ATOM 1056 O SER A 68 -6.808 4.131 1.118 1.00 0.12 O ATOM 1057 CB SER A 68 -7.737 1.090 0.293 1.00 0.07 C ATOM 1058 OG SER A 68 -7.894 0.106 -0.720 1.00 0.04 O ATOM 0 H SER A 68 -5.490 0.239 -0.181 1.00 0.05 H new ATOM 0 HA SER A 68 -6.821 2.615 -0.914 1.00 0.07 H new ATOM 0 HB2 SER A 68 -7.562 0.605 1.253 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.656 1.668 0.390 1.00 0.07 H new ATOM 0 HG SER A 68 -7.215 -0.591 -0.607 1.00 0.04 H new ATOM 1064 N GLU A 69 -5.557 2.538 2.113 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.226 3.343 3.285 1.00 0.14 C ATOM 1066 C GLU A 69 -4.502 4.626 2.886 1.00 0.10 C ATOM 1067 O GLU A 69 -4.723 5.686 3.477 1.00 0.10 O ATOM 1068 CB GLU A 69 -4.351 2.534 4.242 1.00 0.19 C ATOM 1069 CG GLU A 69 -5.126 1.534 5.083 1.00 0.29 C ATOM 1070 CD GLU A 69 -5.604 2.132 6.384 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -6.378 3.059 6.347 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -5.196 1.632 7.454 1.00 0.79 O1- ATOM 0 H GLU A 69 -5.146 1.604 2.121 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.157 3.616 3.782 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -3.595 2.001 3.666 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -3.823 3.220 4.904 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -5.983 1.171 4.515 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -4.494 0.671 5.292 1.00 0.29 H new ATOM 1079 N TYR A 70 -3.642 4.526 1.881 1.00 0.07 N ATOM 1080 CA TYR A 70 -2.884 5.676 1.406 1.00 0.04 C ATOM 1081 C TYR A 70 -3.671 6.478 0.369 1.00 0.03 C ATOM 1082 O TYR A 70 -3.530 7.700 0.277 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.556 5.220 0.806 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.510 4.850 1.835 1.00 0.18 C ATOM 1085 CD1 TYR A 70 0.033 5.811 2.680 1.00 0.37 C ATOM 1086 CD2 TYR A 70 -0.060 3.540 1.957 1.00 0.36 C ATOM 1087 CE1 TYR A 70 0.993 5.480 3.615 1.00 0.46 C ATOM 1088 CE2 TYR A 70 0.902 3.200 2.889 1.00 0.47 C ATOM 1089 CZ TYR A 70 1.424 4.173 3.717 1.00 0.44 C ATOM 1090 OH TYR A 70 2.385 3.837 4.642 1.00 0.58 O ATOM 0 H TYR A 70 -3.452 3.659 1.378 1.00 0.07 H new ATOM 0 HA TYR A 70 -2.694 6.323 2.262 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -1.737 4.360 0.161 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.163 6.016 0.173 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.302 6.835 2.604 1.00 0.37 H new ATOM 0 HD2 TYR A 70 -0.469 2.776 1.313 1.00 0.36 H new ATOM 0 HE1 TYR A 70 1.405 6.240 4.263 1.00 0.46 H new ATOM 0 HE2 TYR A 70 1.243 2.179 2.969 1.00 0.47 H new ATOM 0 HH TYR A 70 1.956 3.448 5.433 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.501 5.791 -0.405 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.309 6.443 -1.431 1.00 0.11 C ATOM 1102 C LEU A 71 -6.242 7.478 -0.815 1.00 0.12 C ATOM 1103 O LEU A 71 -6.493 8.525 -1.404 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.120 5.406 -2.213 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.343 4.677 -3.325 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.953 3.317 -3.627 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.296 5.513 -4.597 1.00 0.23 C ATOM 0 H LEU A 71 -4.633 4.782 -0.343 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.633 6.954 -2.116 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.505 4.664 -1.513 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -6.983 5.902 -2.658 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.326 4.528 -2.962 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.381 2.829 -4.416 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -5.931 2.701 -2.728 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -6.985 3.445 -3.953 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.742 4.975 -5.366 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.311 5.701 -4.946 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.802 6.462 -4.390 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.738 7.189 0.386 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.642 8.098 1.079 1.00 0.16 C ATOM 1121 C LYS A 72 -6.878 9.297 1.643 1.00 0.16 C ATOM 1122 O LYS A 72 -7.475 10.306 2.011 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.387 7.366 2.203 1.00 0.18 C ATOM 1124 CG LYS A 72 -7.536 7.087 3.437 1.00 0.18 C ATOM 1125 CD LYS A 72 -8.288 6.252 4.465 1.00 0.22 C ATOM 1126 CE LYS A 72 -7.660 6.361 5.848 1.00 0.25 C ATOM 1127 NZ LYS A 72 -6.335 5.686 5.922 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.528 6.332 0.898 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.373 8.463 0.358 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.252 7.961 2.498 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -8.767 6.421 1.816 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -6.626 6.566 3.141 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.230 8.031 3.889 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -9.327 6.580 4.510 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -8.296 5.208 4.150 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -7.545 7.413 6.110 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -8.331 5.920 6.585 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -5.744 6.159 6.635 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -6.467 4.689 6.188 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -5.867 5.737 4.995 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.556 9.185 1.694 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.717 10.256 2.216 1.00 0.05 C ATOM 1143 C LEU A 73 -4.390 11.267 1.124 1.00 0.05 C ATOM 1144 O LEU A 73 -4.395 12.472 1.358 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.430 9.683 2.810 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.499 10.706 3.462 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -3.115 11.272 4.732 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -1.149 10.075 3.759 1.00 0.24 C ATOM 0 H LEU A 73 -5.042 8.362 1.380 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.269 10.768 3.004 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.696 8.932 3.554 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.882 9.169 2.020 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.354 11.530 2.763 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -2.432 11.997 5.176 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -4.059 11.762 4.492 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -3.296 10.463 5.440 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -0.496 10.814 4.223 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -1.283 9.232 4.437 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -0.699 9.725 2.830 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.123 10.776 -0.076 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.807 11.659 -1.190 1.00 0.18 C ATOM 1162 C LYS A 74 -5.075 12.328 -1.708 1.00 0.21 C ATOM 1163 O LYS A 74 -5.019 13.299 -2.461 1.00 0.29 O ATOM 1164 CB LYS A 74 -3.105 10.890 -2.316 1.00 0.23 C ATOM 1165 CG LYS A 74 -4.003 9.911 -3.059 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.273 9.244 -4.218 1.00 0.18 C ATOM 1167 CE LYS A 74 -3.284 10.113 -5.469 1.00 0.26 C ATOM 1168 NZ LYS A 74 -4.598 10.071 -6.160 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.118 9.782 -0.303 1.00 0.10 H new ATOM 0 HA LYS A 74 -3.125 12.431 -0.833 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.698 11.606 -3.030 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.261 10.344 -1.896 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -4.361 9.148 -2.367 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.881 10.436 -3.436 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -2.243 9.038 -3.928 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.741 8.284 -4.438 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -3.049 11.142 -5.198 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.504 9.777 -6.152 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -4.530 10.577 -7.066 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -4.867 9.082 -6.335 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -5.319 10.525 -5.563 1.00 0.15 H new ATOM 1182 N GLU A 75 -6.214 11.800 -1.287 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.500 12.341 -1.691 1.00 0.27 C ATOM 1184 C GLU A 75 -7.735 13.697 -1.031 1.00 0.23 C ATOM 1185 O GLU A 75 -8.194 14.641 -1.675 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.624 11.370 -1.327 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.916 11.630 -2.084 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.682 11.830 -3.566 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -9.173 10.899 -4.228 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -10.009 12.920 -4.075 1.00 1.57 O1- ATOM 0 H GLU A 75 -6.272 10.995 -0.664 1.00 0.18 H new ATOM 0 HA GLU A 75 -7.496 12.477 -2.773 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.293 10.351 -1.528 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.819 11.437 -0.257 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -10.597 10.792 -1.936 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -10.404 12.514 -1.673 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.400 13.800 0.252 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.576 15.052 0.971 1.00 0.10 C ATOM 1199 C GLU A 76 -6.529 16.070 0.530 1.00 0.05 C ATOM 1200 O GLU A 76 -6.719 17.277 0.686 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.520 14.838 2.489 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.169 14.378 3.024 1.00 0.19 C ATOM 1203 CD GLU A 76 -6.176 14.214 4.529 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -7.097 13.551 5.060 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -5.269 14.758 5.196 1.00 0.59 O1- ATOM 0 H GLU A 76 -7.010 13.039 0.808 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.565 15.442 0.730 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.791 15.771 2.983 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.274 14.101 2.765 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -5.899 13.430 2.558 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.403 15.101 2.742 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.432 15.571 -0.036 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.353 16.423 -0.525 1.00 0.05 C ATOM 1214 C TYR A 77 -4.884 17.388 -1.580 1.00 0.07 C ATOM 1215 O TYR A 77 -4.737 18.604 -1.457 1.00 0.11 O ATOM 1216 CB TYR A 77 -3.210 15.560 -1.095 1.00 0.09 C ATOM 1217 CG TYR A 77 -2.199 16.314 -1.948 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.782 17.599 -1.611 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -1.668 15.734 -3.096 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.862 18.279 -2.388 1.00 0.16 C ATOM 1221 CE2 TYR A 77 -0.748 16.409 -3.878 1.00 0.17 C ATOM 1222 CZ TYR A 77 -0.351 17.681 -3.522 1.00 0.18 C ATOM 1223 OH TYR A 77 0.562 18.357 -4.299 1.00 0.21 O ATOM 0 H TYR A 77 -5.268 14.573 -0.167 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.957 17.007 0.306 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.683 15.088 -0.266 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.643 14.759 -1.694 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.184 18.073 -0.728 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -1.979 14.740 -3.381 1.00 0.14 H new ATOM 0 HE1 TYR A 77 -0.545 19.273 -2.109 1.00 0.16 H new ATOM 0 HE2 TYR A 77 -0.342 15.942 -4.763 1.00 0.17 H new ATOM 0 HH TYR A 77 0.823 17.796 -5.059 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.534 16.846 -2.600 1.00 0.10 N ATOM 1234 CA GLN A 78 -6.080 17.675 -3.666 1.00 0.13 C ATOM 1235 C GLN A 78 -7.303 18.448 -3.177 1.00 0.06 C ATOM 1236 O GLN A 78 -7.622 19.516 -3.696 1.00 0.08 O ATOM 1237 CB GLN A 78 -6.427 16.817 -4.893 1.00 0.19 C ATOM 1238 CG GLN A 78 -7.694 15.988 -4.745 1.00 0.23 C ATOM 1239 CD GLN A 78 -8.174 15.424 -6.068 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -7.881 15.972 -7.133 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -8.921 14.336 -6.021 1.00 0.26 N ATOM 0 H GLN A 78 -5.695 15.845 -2.712 1.00 0.10 H new ATOM 0 HA GLN A 78 -5.321 18.399 -3.962 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.534 17.470 -5.759 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -5.592 16.148 -5.100 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -7.510 15.169 -4.050 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -8.480 16.605 -4.310 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -9.144 13.909 -5.122 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -9.275 13.923 -6.884 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.958 17.922 -2.145 1.00 0.04 N ATOM 1251 CA ARG A 79 -9.148 18.557 -1.596 1.00 0.11 C ATOM 1252 C ARG A 79 -8.802 19.862 -0.880 1.00 0.17 C ATOM 1253 O ARG A 79 -9.505 20.861 -1.025 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.872 17.605 -0.643 1.00 0.18 C ATOM 1255 CG ARG A 79 -11.262 18.083 -0.254 1.00 0.46 C ATOM 1256 CD ARG A 79 -12.161 16.927 0.143 1.00 0.78 C ATOM 1257 NE ARG A 79 -11.642 16.192 1.298 1.00 1.20 N ATOM 1258 CZ ARG A 79 -11.459 14.871 1.330 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -11.730 14.127 0.263 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -11.004 14.301 2.434 1.00 1.78 N ATOM 0 H ARG A 79 -7.684 17.060 -1.675 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.811 18.795 -2.428 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.951 16.624 -1.111 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -9.273 17.480 0.259 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.186 18.787 0.575 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -11.709 18.622 -1.090 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -13.157 17.306 0.374 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -12.267 16.245 -0.701 1.00 0.78 H new ATOM 0 HE ARG A 79 -11.404 16.726 2.134 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -12.081 14.565 -0.589 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -11.587 13.118 0.296 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -10.796 14.871 3.254 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -10.862 13.291 2.465 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.723 19.861 -0.109 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.317 21.067 0.606 1.00 0.17 C ATOM 1276 C LEU A 80 -6.711 22.075 -0.363 1.00 0.18 C ATOM 1277 O LEU A 80 -6.754 23.285 -0.130 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.322 20.742 1.735 1.00 0.19 C ATOM 1279 CG LEU A 80 -4.905 20.343 1.289 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -3.952 21.533 1.363 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.377 19.198 2.142 1.00 0.23 C ATOM 0 H LEU A 80 -7.119 19.052 0.037 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.206 21.503 1.062 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.245 21.612 2.387 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -6.735 19.931 2.334 1.00 0.19 H new ATOM 0 HG LEU A 80 -4.963 20.012 0.252 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -2.957 21.223 1.042 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -4.312 22.329 0.711 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -3.905 21.898 2.389 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.374 18.930 1.811 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.344 19.508 3.187 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -5.035 18.335 2.040 1.00 0.23 H new ATOM 1293 N ARG A 81 -6.164 21.570 -1.459 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.547 22.418 -2.465 1.00 0.21 C ATOM 1295 C ARG A 81 -6.604 23.153 -3.279 1.00 0.22 C ATOM 1296 O ARG A 81 -6.477 24.351 -3.533 1.00 0.31 O ATOM 1297 CB ARG A 81 -4.650 21.589 -3.382 1.00 0.21 C ATOM 1298 CG ARG A 81 -3.325 21.206 -2.742 1.00 0.25 C ATOM 1299 CD ARG A 81 -2.149 21.793 -3.502 1.00 0.43 C ATOM 1300 NE ARG A 81 -2.174 21.418 -4.913 1.00 0.50 N ATOM 1301 CZ ARG A 81 -1.305 21.856 -5.822 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.336 22.696 -5.475 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -1.401 21.451 -7.079 1.00 0.54 N ATOM 0 H ARG A 81 -6.136 20.573 -1.674 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.934 23.161 -1.954 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -5.180 20.682 -3.674 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -4.455 22.152 -4.295 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -3.304 21.556 -1.710 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -3.235 20.120 -2.712 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -2.165 22.879 -3.414 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -1.217 21.451 -3.051 1.00 0.43 H new ATOM 0 HE ARG A 81 -2.905 20.778 -5.223 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -0.255 23.009 -4.508 1.00 0.71 H new ATOM 0 HH12 ARG A 81 0.327 23.028 -6.176 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -2.141 20.803 -7.351 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -0.735 21.787 -7.775 1.00 0.54 H new ATOM 1317 N GLU A 82 -7.656 22.439 -3.676 1.00 0.13 N ATOM 1318 CA GLU A 82 -8.723 23.051 -4.461 1.00 0.14 C ATOM 1319 C GLU A 82 -9.519 24.041 -3.614 1.00 0.14 C ATOM 1320 O GLU A 82 -10.140 24.962 -4.141 1.00 0.14 O ATOM 1321 CB GLU A 82 -9.641 21.989 -5.078 1.00 0.14 C ATOM 1322 CG GLU A 82 -10.480 21.217 -4.074 1.00 0.06 C ATOM 1323 CD GLU A 82 -11.279 20.108 -4.727 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -12.020 20.394 -5.693 1.00 0.84 O ATOM 1325 OE2 GLU A 82 -11.165 18.946 -4.286 1.00 1.21 O1- ATOM 0 H GLU A 82 -7.791 21.449 -3.470 1.00 0.13 H new ATOM 0 HA GLU A 82 -8.261 23.601 -5.281 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -10.307 22.474 -5.792 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -9.031 21.283 -5.641 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -9.829 20.792 -3.310 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -11.160 21.903 -3.568 1.00 0.06 H new ATOM 1332 N GLN A 83 -9.467 23.862 -2.298 1.00 0.14 N ATOM 1333 CA GLN A 83 -10.159 24.758 -1.380 1.00 0.14 C ATOM 1334 C GLN A 83 -9.506 26.137 -1.393 1.00 0.13 C ATOM 1335 O GLN A 83 -10.137 27.138 -1.069 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.158 24.190 0.040 1.00 0.14 C ATOM 1337 CG GLN A 83 -11.356 23.305 0.339 1.00 0.11 C ATOM 1338 CD GLN A 83 -11.216 22.548 1.646 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -11.594 23.036 2.711 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -10.664 21.349 1.571 1.00 0.65 N ATOM 0 H GLN A 83 -8.954 23.106 -1.845 1.00 0.14 H new ATOM 0 HA GLN A 83 -11.193 24.852 -1.712 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -9.245 23.615 0.192 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -10.138 25.014 0.753 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -12.256 23.919 0.375 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -11.488 22.593 -0.476 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -10.364 20.981 0.668 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -10.538 20.792 2.416 1.00 0.65 H new ATOM 1349 N LEU A 84 -8.233 26.180 -1.779 1.00 0.13 N ATOM 1350 CA LEU A 84 -7.502 27.439 -1.853 1.00 0.10 C ATOM 1351 C LEU A 84 -7.706 28.066 -3.227 1.00 0.05 C ATOM 1352 O LEU A 84 -7.295 29.197 -3.487 1.00 0.17 O ATOM 1353 CB LEU A 84 -6.007 27.220 -1.589 1.00 0.13 C ATOM 1354 CG LEU A 84 -5.390 28.072 -0.466 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -5.423 29.551 -0.819 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -6.100 27.827 0.861 1.00 0.15 C ATOM 0 H LEU A 84 -7.689 25.359 -2.044 1.00 0.13 H new ATOM 0 HA LEU A 84 -7.886 28.112 -1.086 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -5.851 26.168 -1.348 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -5.462 27.420 -2.511 1.00 0.13 H new ATOM 0 HG LEU A 84 -4.348 27.769 -0.359 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.981 30.129 -0.007 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -4.856 29.719 -1.735 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -6.456 29.867 -0.968 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -5.644 28.442 1.637 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -7.154 28.089 0.764 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -6.011 26.775 1.132 1.00 0.15 H new ATOM 1368 N LYS A 85 -8.353 27.312 -4.101 1.00 0.12 N ATOM 1369 CA LYS A 85 -8.631 27.768 -5.451 1.00 0.08 C ATOM 1370 C LYS A 85 -10.074 28.247 -5.559 1.00 0.11 C ATOM 1371 O LYS A 85 -10.346 29.316 -6.112 1.00 0.11 O ATOM 1372 CB LYS A 85 -8.371 26.642 -6.455 1.00 0.02 C ATOM 1373 CG LYS A 85 -6.897 26.327 -6.650 1.00 0.15 C ATOM 1374 CD LYS A 85 -6.693 25.071 -7.487 1.00 0.18 C ATOM 1375 CE LYS A 85 -5.255 24.942 -7.961 1.00 0.27 C ATOM 1376 NZ LYS A 85 -5.070 25.479 -9.334 1.00 0.48 N1+ ATOM 0 H LYS A 85 -8.697 26.374 -3.896 1.00 0.12 H new ATOM 0 HA LYS A 85 -7.967 28.602 -5.681 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -8.885 25.741 -6.119 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -8.805 26.917 -7.416 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -6.406 27.171 -7.135 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -6.421 26.197 -5.678 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -6.963 24.194 -6.899 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -7.360 25.095 -8.349 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -4.598 25.473 -7.273 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -4.959 23.893 -7.939 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -4.075 25.371 -9.618 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -5.678 24.956 -9.996 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -5.327 26.487 -9.350 1.00 0.48 H new ATOM 1390 N LYS A 86 -10.993 27.457 -5.021 1.00 0.23 N ATOM 1391 CA LYS A 86 -12.407 27.795 -5.059 1.00 0.30 C ATOM 1392 C LYS A 86 -13.089 27.419 -3.745 1.00 0.31 C ATOM 1393 O LYS A 86 -13.377 26.224 -3.543 1.00 0.34 O ATOM 1394 CB LYS A 86 -13.092 27.093 -6.232 1.00 0.35 C ATOM 1395 CG LYS A 86 -14.507 27.576 -6.475 1.00 0.42 C ATOM 1396 CD LYS A 86 -15.061 27.067 -7.792 1.00 0.38 C ATOM 1397 CE LYS A 86 -16.413 27.692 -8.096 1.00 0.40 C ATOM 1398 NZ LYS A 86 -17.502 27.098 -7.277 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -13.340 28.324 -2.917 1.00 0.35 O1- ATOM 0 H LYS A 86 -10.783 26.576 -4.552 1.00 0.23 H new ATOM 0 HA LYS A 86 -12.496 28.873 -5.196 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -12.502 27.249 -7.135 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -13.109 26.019 -6.044 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -15.149 27.244 -5.659 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -14.524 28.666 -6.471 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -14.362 27.296 -8.597 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -15.159 25.982 -7.754 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -16.365 28.765 -7.911 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -16.643 27.561 -9.153 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -18.405 27.554 -7.517 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -17.566 26.078 -7.472 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -17.297 27.245 -6.268 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -36.471 -9.645 11.020 1.00 1.09 N ATOM 1415 CA GLY B 1 -36.505 -8.345 11.730 1.00 0.31 C ATOM 1416 C GLY B 1 -35.845 -7.247 10.925 1.00 0.29 C ATOM 1417 O GLY B 1 -34.882 -7.503 10.199 1.00 0.69 O ATOM 0 H1 GLY B 1 -36.203 -10.397 11.686 1.00 1.09 H new ATOM 0 H2 GLY B 1 -37.411 -9.850 10.626 1.00 1.09 H new ATOM 0 H3 GLY B 1 -35.774 -9.601 10.249 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -37.539 -8.071 11.938 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -36.002 -8.443 12.692 1.00 0.31 H new ATOM 1423 N SER B 2 -36.362 -6.033 11.036 1.00 0.38 N ATOM 1424 CA SER B 2 -35.814 -4.898 10.313 1.00 0.63 C ATOM 1425 C SER B 2 -34.600 -4.330 11.045 1.00 0.42 C ATOM 1426 O SER B 2 -34.565 -4.293 12.277 1.00 0.44 O ATOM 1427 CB SER B 2 -36.885 -3.821 10.151 1.00 1.08 C ATOM 1428 OG SER B 2 -38.167 -4.338 10.465 1.00 1.47 O ATOM 0 H SER B 2 -37.165 -5.809 11.624 1.00 0.38 H new ATOM 0 HA SER B 2 -35.493 -5.233 9.327 1.00 0.63 H new ATOM 0 HB2 SER B 2 -36.659 -2.976 10.801 1.00 1.08 H new ATOM 0 HB3 SER B 2 -36.879 -3.446 9.127 1.00 1.08 H new ATOM 0 HG SER B 2 -38.839 -3.633 10.357 1.00 1.47 H new ATOM 1434 N HIS B 3 -33.605 -3.904 10.284 1.00 0.34 N ATOM 1435 CA HIS B 3 -32.387 -3.337 10.850 1.00 0.24 C ATOM 1436 C HIS B 3 -32.191 -1.908 10.355 1.00 0.25 C ATOM 1437 O HIS B 3 -31.773 -1.688 9.217 1.00 0.45 O ATOM 1438 CB HIS B 3 -31.168 -4.195 10.483 1.00 0.41 C ATOM 1439 CG HIS B 3 -31.030 -5.443 11.304 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -29.899 -5.744 12.030 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -31.886 -6.472 11.503 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -30.066 -6.901 12.641 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -31.264 -7.365 12.336 1.00 1.42 N ATOM 0 H HIS B 3 -33.616 -3.940 9.265 1.00 0.34 H new ATOM 0 HA HIS B 3 -32.486 -3.325 11.935 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -31.234 -4.470 9.430 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -30.266 -3.594 10.599 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -32.876 -6.571 11.083 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -29.345 -7.387 13.282 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -31.662 -8.244 12.666 1.00 1.42 H new ATOM 1452 N MET B 4 -32.506 -0.941 11.210 1.00 0.16 N ATOM 1453 CA MET B 4 -32.374 0.474 10.858 1.00 0.18 C ATOM 1454 C MET B 4 -31.257 1.134 11.655 1.00 0.37 C ATOM 1455 O MET B 4 -31.322 2.324 11.964 1.00 0.82 O ATOM 1456 CB MET B 4 -33.686 1.212 11.122 1.00 0.24 C ATOM 1457 CG MET B 4 -34.815 0.837 10.174 1.00 0.26 C ATOM 1458 SD MET B 4 -36.273 1.875 10.402 1.00 0.45 S ATOM 1459 CE MET B 4 -37.428 1.083 9.288 1.00 0.61 C ATOM 0 H MET B 4 -32.855 -1.108 12.154 1.00 0.16 H new ATOM 0 HA MET B 4 -32.130 0.531 9.797 1.00 0.18 H new ATOM 0 HB2 MET B 4 -34.004 1.010 12.145 1.00 0.24 H new ATOM 0 HB3 MET B 4 -33.507 2.285 11.050 1.00 0.24 H new ATOM 0 HG2 MET B 4 -34.467 0.925 9.145 1.00 0.26 H new ATOM 0 HG3 MET B 4 -35.087 -0.207 10.331 1.00 0.26 H new ATOM 0 HE1 MET B 4 -38.381 1.611 9.316 1.00 0.61 H new ATOM 0 HE2 MET B 4 -37.030 1.107 8.274 1.00 0.61 H new ATOM 0 HE3 MET B 4 -37.578 0.048 9.595 1.00 0.61 H new ATOM 1469 N THR B 5 -30.232 0.363 11.975 1.00 0.18 N ATOM 1470 CA THR B 5 -29.100 0.870 12.730 1.00 0.33 C ATOM 1471 C THR B 5 -28.287 1.863 11.895 1.00 0.22 C ATOM 1472 O THR B 5 -28.480 1.971 10.680 1.00 0.16 O ATOM 1473 CB THR B 5 -28.192 -0.292 13.175 1.00 0.59 C ATOM 1474 OG1 THR B 5 -28.975 -1.488 13.298 1.00 0.29 O ATOM 1475 CG2 THR B 5 -27.517 0.016 14.505 1.00 0.99 C ATOM 0 H THR B 5 -30.161 -0.622 11.722 1.00 0.18 H new ATOM 0 HA THR B 5 -29.486 1.385 13.609 1.00 0.33 H new ATOM 0 HB THR B 5 -27.415 -0.430 12.423 1.00 0.59 H new ATOM 0 HG1 THR B 5 -28.399 -2.229 13.579 1.00 0.29 H new ATOM 0 HG21 THR B 5 -26.883 -0.822 14.794 1.00 0.99 H new ATOM 0 HG22 THR B 5 -26.908 0.914 14.405 1.00 0.99 H new ATOM 0 HG23 THR B 5 -28.277 0.176 15.270 1.00 0.99 H new ATOM 1483 N GLU B 6 -27.392 2.595 12.554 1.00 0.23 N ATOM 1484 CA GLU B 6 -26.541 3.569 11.882 1.00 0.17 C ATOM 1485 C GLU B 6 -25.718 2.895 10.791 1.00 0.23 C ATOM 1486 O GLU B 6 -25.326 1.736 10.932 1.00 0.52 O ATOM 1487 CB GLU B 6 -25.601 4.233 12.886 1.00 0.15 C ATOM 1488 CG GLU B 6 -26.302 4.758 14.124 1.00 0.15 C ATOM 1489 CD GLU B 6 -25.468 4.574 15.372 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -24.582 5.413 15.624 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -25.691 3.587 16.108 1.00 1.72 O1- ATOM 0 H GLU B 6 -27.238 2.530 13.560 1.00 0.23 H new ATOM 0 HA GLU B 6 -27.182 4.327 11.431 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -24.840 3.514 13.188 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -25.084 5.057 12.395 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -26.526 5.816 13.991 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -27.255 4.243 14.246 1.00 0.15 H new ATOM 1498 N GLN B 7 -25.462 3.619 9.712 1.00 0.15 N ATOM 1499 CA GLN B 7 -24.682 3.086 8.606 1.00 0.22 C ATOM 1500 C GLN B 7 -23.185 3.221 8.886 1.00 0.22 C ATOM 1501 O GLN B 7 -22.646 4.329 8.933 1.00 0.45 O ATOM 1502 CB GLN B 7 -25.053 3.783 7.289 1.00 0.57 C ATOM 1503 CG GLN B 7 -25.059 5.304 7.361 1.00 0.48 C ATOM 1504 CD GLN B 7 -25.418 5.946 6.034 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -26.180 5.384 5.247 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -24.875 7.125 5.778 1.00 0.86 N ATOM 0 H GLN B 7 -25.783 4.578 9.579 1.00 0.15 H new ATOM 0 HA GLN B 7 -24.917 2.026 8.506 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -24.350 3.471 6.517 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -26.041 3.442 6.978 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -25.771 5.626 8.121 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -24.076 5.654 7.676 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -24.248 7.556 6.458 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -25.083 7.603 4.901 1.00 0.86 H new ATOM 1515 N PRO B 8 -22.502 2.091 9.113 1.00 0.27 N ATOM 1516 CA PRO B 8 -21.075 2.067 9.387 1.00 0.51 C ATOM 1517 C PRO B 8 -20.259 1.873 8.114 1.00 0.35 C ATOM 1518 O PRO B 8 -20.817 1.838 7.010 1.00 0.14 O ATOM 1519 CB PRO B 8 -20.955 0.846 10.293 1.00 0.80 C ATOM 1520 CG PRO B 8 -21.985 -0.105 9.779 1.00 0.79 C ATOM 1521 CD PRO B 8 -23.071 0.730 9.134 1.00 0.38 C ATOM 0 HA PRO B 8 -20.701 2.993 9.824 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -19.956 0.413 10.245 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -21.140 1.106 11.335 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -21.548 -0.795 9.057 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -22.392 -0.709 10.590 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -23.303 0.378 8.129 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -23.998 0.693 9.707 1.00 0.38 H new ATOM 1529 N LYS B 9 -18.949 1.749 8.268 1.00 0.47 N ATOM 1530 CA LYS B 9 -18.065 1.535 7.131 1.00 0.33 C ATOM 1531 C LYS B 9 -18.358 0.165 6.521 1.00 0.35 C ATOM 1532 O LYS B 9 -18.123 -0.867 7.154 1.00 0.52 O ATOM 1533 CB LYS B 9 -16.599 1.643 7.567 1.00 0.23 C ATOM 1534 CG LYS B 9 -16.171 3.068 7.881 1.00 0.28 C ATOM 1535 CD LYS B 9 -14.841 3.118 8.614 1.00 0.35 C ATOM 1536 CE LYS B 9 -15.000 2.793 10.094 1.00 0.69 C ATOM 1537 NZ LYS B 9 -13.805 3.190 10.885 1.00 0.89 N1+ ATOM 0 H LYS B 9 -18.474 1.793 9.170 1.00 0.47 H new ATOM 0 HA LYS B 9 -18.243 2.303 6.378 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -16.442 1.021 8.448 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -15.962 1.245 6.778 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -16.095 3.636 6.954 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -16.937 3.551 8.488 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -14.148 2.411 8.159 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -14.402 4.110 8.504 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -15.879 3.305 10.485 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -15.174 1.724 10.213 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -13.956 2.951 11.886 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -12.969 2.683 10.530 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -13.653 4.215 10.793 1.00 0.89 H new ATOM 1551 N THR B 10 -18.897 0.168 5.307 1.00 0.33 N ATOM 1552 CA THR B 10 -19.264 -1.066 4.625 1.00 0.31 C ATOM 1553 C THR B 10 -18.057 -1.755 3.994 1.00 0.23 C ATOM 1554 O THR B 10 -16.974 -1.175 3.878 1.00 0.23 O ATOM 1555 CB THR B 10 -20.343 -0.805 3.548 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.916 -2.044 3.111 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.770 -0.061 2.348 1.00 0.28 C ATOM 0 H THR B 10 -19.090 1.016 4.774 1.00 0.33 H new ATOM 0 HA THR B 10 -19.672 -1.734 5.384 1.00 0.31 H new ATOM 0 HB THR B 10 -21.114 -0.182 4.001 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.599 -1.867 2.431 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.557 0.104 1.613 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.369 0.899 2.673 1.00 0.28 H new ATOM 0 HG23 THR B 10 -18.973 -0.654 1.899 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.260 -2.997 3.577 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.209 -3.783 2.958 1.00 0.21 C ATOM 1567 C ARG B 11 -17.657 -4.264 1.582 1.00 0.27 C ATOM 1568 O ARG B 11 -18.840 -4.534 1.365 1.00 0.53 O ATOM 1569 CB ARG B 11 -16.831 -4.971 3.849 1.00 0.24 C ATOM 1570 CG ARG B 11 -17.982 -5.926 4.125 1.00 0.31 C ATOM 1571 CD ARG B 11 -17.581 -7.020 5.106 1.00 0.68 C ATOM 1572 NE ARG B 11 -18.676 -7.957 5.351 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.317 -8.074 6.514 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.944 -7.353 7.567 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.332 -8.921 6.626 1.00 1.72 N ATOM 0 H ARG B 11 -19.153 -3.483 3.659 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.326 -3.155 2.837 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.019 -5.523 3.376 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.449 -4.594 4.798 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -18.829 -5.369 4.526 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.312 -6.378 3.190 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -16.720 -7.562 4.715 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -17.272 -6.568 6.048 1.00 0.68 H new ATOM 0 HE ARG B 11 -18.969 -8.560 4.582 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.161 -6.704 7.489 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.441 -7.449 8.453 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -20.620 -9.481 5.823 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -20.824 -9.013 7.515 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.717 -4.361 0.659 1.00 0.16 N ATOM 1590 CA VAL B 12 -17.024 -4.797 -0.693 1.00 0.15 C ATOM 1591 C VAL B 12 -16.027 -5.861 -1.155 1.00 0.12 C ATOM 1592 O VAL B 12 -14.874 -5.870 -0.720 1.00 0.17 O ATOM 1593 CB VAL B 12 -17.027 -3.596 -1.675 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -15.618 -3.084 -1.922 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -17.712 -3.964 -2.984 1.00 0.25 C ATOM 0 H VAL B 12 -15.734 -4.144 0.820 1.00 0.16 H new ATOM 0 HA VAL B 12 -18.022 -5.236 -0.687 1.00 0.15 H new ATOM 0 HB VAL B 12 -17.596 -2.790 -1.213 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -15.653 -2.243 -2.614 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -15.178 -2.760 -0.979 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -15.011 -3.881 -2.351 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -17.701 -3.105 -3.655 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -17.183 -4.795 -3.450 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -18.743 -4.256 -2.786 1.00 0.25 H new ATOM 1605 N SER B 13 -16.485 -6.774 -1.999 1.00 0.09 N ATOM 1606 CA SER B 13 -15.632 -7.833 -2.514 1.00 0.12 C ATOM 1607 C SER B 13 -15.112 -7.474 -3.902 1.00 0.18 C ATOM 1608 O SER B 13 -15.893 -7.140 -4.795 1.00 0.48 O ATOM 1609 CB SER B 13 -16.403 -9.153 -2.577 1.00 0.12 C ATOM 1610 OG SER B 13 -16.893 -9.526 -1.297 1.00 0.38 O ATOM 0 H SER B 13 -17.445 -6.802 -2.342 1.00 0.09 H new ATOM 0 HA SER B 13 -14.784 -7.947 -1.839 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.236 -9.057 -3.274 1.00 0.12 H new ATOM 0 HB3 SER B 13 -15.753 -9.938 -2.963 1.00 0.12 H new ATOM 0 HG SER B 13 -17.383 -10.372 -1.368 1.00 0.38 H new ATOM 1616 N VAL B 14 -13.801 -7.531 -4.080 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.190 -7.219 -5.365 1.00 0.13 C ATOM 1618 C VAL B 14 -12.334 -8.386 -5.840 1.00 0.09 C ATOM 1619 O VAL B 14 -11.979 -9.264 -5.054 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.326 -5.941 -5.313 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.159 -4.746 -4.876 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.126 -6.127 -4.394 1.00 0.17 C ATOM 0 H VAL B 14 -13.138 -7.791 -3.350 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.005 -7.042 -6.066 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.951 -5.748 -6.318 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.531 -3.856 -4.846 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.973 -4.592 -5.584 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.571 -4.933 -3.884 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.535 -5.211 -4.377 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -11.472 -6.355 -3.386 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.511 -6.949 -4.761 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.002 -8.393 -7.123 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.196 -9.462 -7.699 1.00 0.12 C ATOM 1634 C ARG B 15 -9.717 -9.082 -7.735 1.00 0.08 C ATOM 1635 O ARG B 15 -9.357 -8.017 -8.237 1.00 0.12 O ATOM 1636 CB ARG B 15 -11.688 -9.790 -9.118 1.00 0.19 C ATOM 1637 CG ARG B 15 -10.853 -10.845 -9.838 1.00 0.32 C ATOM 1638 CD ARG B 15 -9.767 -10.218 -10.704 1.00 0.37 C ATOM 1639 NE ARG B 15 -10.319 -9.491 -11.844 1.00 0.23 N ATOM 1640 CZ ARG B 15 -9.587 -8.852 -12.755 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -8.264 -8.778 -12.635 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -10.185 -8.271 -13.785 1.00 0.33 N ATOM 0 H ARG B 15 -12.278 -7.669 -7.787 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.305 -10.343 -7.067 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -12.720 -10.135 -9.062 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -11.689 -8.876 -9.711 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.394 -11.508 -9.104 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.503 -11.460 -10.460 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -9.169 -9.538 -10.097 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -9.096 -10.998 -11.064 1.00 0.37 H new ATOM 0 HE ARG B 15 -11.333 -9.471 -11.950 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -7.799 -9.214 -11.838 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -7.715 -8.286 -13.340 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -11.200 -8.315 -13.877 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -9.630 -7.780 -14.486 1.00 0.33 H new ATOM 1656 N ILE B 16 -8.871 -9.953 -7.196 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.434 -9.729 -7.187 1.00 0.08 C ATOM 1658 C ILE B 16 -6.703 -11.008 -7.590 1.00 0.13 C ATOM 1659 O ILE B 16 -6.759 -12.016 -6.880 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.915 -9.276 -5.805 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.769 -8.130 -5.247 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.458 -8.850 -5.917 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.491 -7.813 -3.793 1.00 0.15 C ATOM 0 H ILE B 16 -9.161 -10.827 -6.757 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.236 -8.930 -7.902 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.989 -10.115 -5.113 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.594 -7.235 -5.844 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.822 -8.387 -5.358 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.096 -8.531 -4.940 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -4.859 -9.690 -6.269 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.374 -8.023 -6.622 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.132 -6.993 -3.470 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.694 -8.694 -3.183 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.446 -7.524 -3.677 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.074 -10.971 -8.764 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.302 -12.094 -9.308 1.00 0.25 C ATOM 1677 C TYR B 17 -6.186 -13.301 -9.627 1.00 0.24 C ATOM 1678 O TYR B 17 -5.692 -14.409 -9.855 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.170 -12.492 -8.351 1.00 0.29 C ATOM 1680 CG TYR B 17 -2.889 -12.889 -9.053 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.091 -11.934 -9.670 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.478 -14.215 -9.103 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -0.918 -12.288 -10.314 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.306 -14.578 -9.741 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.530 -13.612 -10.349 1.00 0.26 C ATOM 1686 OH TYR B 17 0.635 -13.976 -10.997 1.00 0.34 O ATOM 0 H TYR B 17 -6.085 -10.153 -9.373 1.00 0.18 H new ATOM 0 HA TYR B 17 -4.864 -11.756 -10.247 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -3.963 -11.658 -7.681 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.506 -13.323 -7.731 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.391 -10.897 -9.647 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -3.085 -14.976 -8.635 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -0.309 -11.532 -10.787 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -0.999 -15.613 -9.763 1.00 0.31 H new ATOM 0 HH TYR B 17 1.370 -13.403 -10.694 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.494 -13.090 -9.651 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.408 -14.171 -9.960 1.00 0.22 C ATOM 1698 C GLY B 18 -9.352 -14.505 -8.823 1.00 0.22 C ATOM 1699 O GLY B 18 -10.471 -14.960 -9.056 1.00 0.24 O ATOM 0 H GLY B 18 -7.938 -12.191 -9.462 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -8.992 -13.902 -10.840 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -7.833 -15.060 -10.218 1.00 0.22 H new ATOM 1703 N GLN B 19 -8.911 -14.279 -7.598 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.732 -14.564 -6.426 1.00 0.21 C ATOM 1705 C GLN B 19 -10.447 -13.302 -5.965 1.00 0.18 C ATOM 1706 O GLN B 19 -10.031 -12.193 -6.296 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.867 -15.116 -5.291 1.00 0.22 C ATOM 1708 CG GLN B 19 -9.068 -16.598 -5.015 1.00 0.56 C ATOM 1709 CD GLN B 19 -8.717 -17.469 -6.203 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -7.559 -17.839 -6.397 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -9.715 -17.817 -6.999 1.00 1.36 N ATOM 0 H GLN B 19 -7.989 -13.899 -7.385 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.475 -15.313 -6.699 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.818 -14.942 -5.532 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.082 -14.556 -4.381 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.455 -16.890 -4.162 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -10.107 -16.773 -4.736 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -10.661 -17.489 -6.804 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -9.538 -18.413 -7.808 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.522 -13.472 -5.210 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.277 -12.333 -4.702 1.00 0.24 C ATOM 1722 C ASP B 20 -12.017 -12.153 -3.212 1.00 0.23 C ATOM 1723 O ASP B 20 -11.974 -13.122 -2.454 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.781 -12.487 -4.976 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.462 -13.505 -4.082 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.413 -14.712 -4.407 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.063 -13.104 -3.063 1.00 1.64 O ATOM 0 H ASP B 20 -11.891 -14.382 -4.936 1.00 0.24 H new ATOM 0 HA ASP B 20 -11.938 -11.441 -5.229 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.266 -11.520 -4.845 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -13.924 -12.777 -6.017 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.808 -10.910 -2.805 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.537 -10.595 -1.411 1.00 0.22 C ATOM 1734 C TYR B 21 -12.413 -9.436 -0.952 1.00 0.24 C ATOM 1735 O TYR B 21 -12.652 -8.495 -1.706 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.057 -10.244 -1.219 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.115 -11.350 -1.647 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.819 -12.405 -0.794 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.532 -11.342 -2.909 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -7.968 -13.423 -1.185 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -7.681 -12.354 -3.308 1.00 0.15 C ATOM 1742 CZ TYR B 21 -7.402 -13.391 -2.445 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.553 -14.398 -2.842 1.00 0.14 O ATOM 0 H TYR B 21 -11.821 -10.099 -3.424 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.769 -11.473 -0.807 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -9.829 -9.342 -1.787 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.880 -10.012 -0.169 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.261 -12.431 0.191 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -8.748 -10.531 -3.589 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -7.748 -14.237 -0.510 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -7.236 -12.333 -4.292 1.00 0.15 H new ATOM 0 HH TYR B 21 -6.244 -14.224 -3.755 1.00 0.14 H new ATOM 1753 N THR B 22 -12.894 -9.517 0.283 1.00 0.18 N ATOM 1754 CA THR B 22 -13.750 -8.482 0.840 1.00 0.18 C ATOM 1755 C THR B 22 -12.948 -7.514 1.710 1.00 0.16 C ATOM 1756 O THR B 22 -12.258 -7.927 2.641 1.00 0.21 O ATOM 1757 CB THR B 22 -14.884 -9.106 1.678 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.343 -10.312 1.052 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.045 -8.137 1.821 1.00 0.26 C ATOM 0 H THR B 22 -12.704 -10.292 0.918 1.00 0.18 H new ATOM 0 HA THR B 22 -14.182 -7.929 0.006 1.00 0.18 H new ATOM 0 HB THR B 22 -14.493 -9.332 2.670 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.871 -10.088 0.257 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.833 -8.599 2.416 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.702 -7.228 2.316 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.434 -7.887 0.834 1.00 0.26 H new ATOM 1767 N ILE B 23 -13.035 -6.227 1.394 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.327 -5.204 2.153 1.00 0.11 C ATOM 1769 C ILE B 23 -13.263 -4.056 2.497 1.00 0.14 C ATOM 1770 O ILE B 23 -14.323 -3.912 1.892 1.00 0.32 O ATOM 1771 CB ILE B 23 -11.088 -4.641 1.413 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.481 -3.989 0.070 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -10.029 -5.725 1.238 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.547 -4.925 -1.125 1.00 0.08 C ATOM 0 H ILE B 23 -13.589 -5.867 0.617 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.973 -5.693 3.060 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.652 -3.852 2.026 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.455 -3.514 0.190 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -10.765 -3.198 -0.151 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.167 -5.310 0.716 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.719 -6.092 2.216 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.444 -6.548 0.656 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.832 -4.361 -2.013 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.570 -5.383 -1.283 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -12.286 -5.704 -0.937 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.867 -3.244 3.467 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.677 -2.115 3.905 1.00 0.17 C ATOM 1788 C VAL B 24 -13.524 -0.919 2.961 1.00 0.22 C ATOM 1789 O VAL B 24 -12.426 -0.389 2.786 1.00 0.28 O ATOM 1790 CB VAL B 24 -13.295 -1.682 5.338 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -14.157 -0.518 5.805 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.409 -2.854 6.303 1.00 0.18 C ATOM 0 H VAL B 24 -11.985 -3.347 3.968 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.716 -2.444 3.893 1.00 0.17 H new ATOM 0 HB VAL B 24 -12.257 -1.349 5.323 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.867 -0.233 6.816 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -14.017 0.330 5.135 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -15.205 -0.816 5.798 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -13.136 -2.527 7.306 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.435 -3.222 6.308 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.738 -3.653 5.986 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.629 -0.492 2.362 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.595 0.637 1.456 1.00 0.27 C ATOM 1804 C GLY B 25 -15.051 1.906 2.142 1.00 0.07 C ATOM 1805 O GLY B 25 -16.133 2.414 1.866 1.00 0.28 O ATOM 0 H GLY B 25 -15.551 -0.910 2.489 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.582 0.770 1.076 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -15.234 0.436 0.596 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.211 2.425 3.030 1.00 0.15 N ATOM 1810 CA ALA B 26 -14.539 3.627 3.792 1.00 0.36 C ATOM 1811 C ALA B 26 -14.247 4.916 3.025 1.00 0.34 C ATOM 1812 O ALA B 26 -14.606 6.003 3.477 1.00 0.57 O ATOM 1813 CB ALA B 26 -13.784 3.626 5.110 1.00 0.61 C ATOM 0 H ALA B 26 -13.294 2.031 3.241 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.613 3.604 3.976 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -14.034 4.525 5.673 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -14.064 2.746 5.689 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -12.712 3.606 4.915 1.00 0.61 H new ATOM 1819 N GLU B 27 -13.598 4.805 1.873 1.00 0.08 N ATOM 1820 CA GLU B 27 -13.275 5.989 1.081 1.00 0.06 C ATOM 1821 C GLU B 27 -14.420 6.329 0.129 1.00 0.07 C ATOM 1822 O GLU B 27 -15.071 7.366 0.276 1.00 0.08 O ATOM 1823 CB GLU B 27 -11.967 5.779 0.302 1.00 0.06 C ATOM 1824 CG GLU B 27 -11.165 7.058 0.080 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.921 8.105 -0.716 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.350 7.802 -1.848 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -12.091 9.232 -0.211 1.00 2.44 O1- ATOM 0 H GLU B 27 -13.288 3.921 1.469 1.00 0.08 H new ATOM 0 HA GLU B 27 -13.136 6.829 1.762 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -11.347 5.062 0.840 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.200 5.336 -0.666 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -10.886 7.477 1.047 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -10.239 6.813 -0.441 1.00 0.97 H new ATOM 1834 N SER B 28 -14.676 5.437 -0.826 1.00 0.08 N ATOM 1835 CA SER B 28 -15.723 5.632 -1.817 1.00 0.11 C ATOM 1836 C SER B 28 -15.863 4.369 -2.664 1.00 0.14 C ATOM 1837 O SER B 28 -14.860 3.717 -2.973 1.00 0.14 O ATOM 1838 CB SER B 28 -15.404 6.834 -2.715 1.00 0.16 C ATOM 1839 OG SER B 28 -15.935 8.034 -2.179 1.00 0.98 O ATOM 0 H SER B 28 -14.163 4.562 -0.931 1.00 0.08 H new ATOM 0 HA SER B 28 -16.662 5.831 -1.301 1.00 0.11 H new ATOM 0 HB2 SER B 28 -14.324 6.930 -2.827 1.00 0.16 H new ATOM 0 HB3 SER B 28 -15.814 6.665 -3.711 1.00 0.16 H new ATOM 0 HG SER B 28 -15.757 8.069 -1.216 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.100 4.018 -3.054 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.382 2.820 -3.859 1.00 0.21 C ATOM 1847 C PRO B 29 -16.617 2.786 -5.179 1.00 0.18 C ATOM 1848 O PRO B 29 -16.141 1.732 -5.601 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.894 2.896 -4.122 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.287 4.299 -3.797 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.330 4.762 -2.737 1.00 0.18 C ATOM 0 HA PRO B 29 -17.070 1.917 -3.335 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.124 2.655 -5.160 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.436 2.183 -3.501 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.228 4.935 -4.680 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.316 4.343 -3.440 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.172 5.840 -2.779 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.694 4.532 -1.736 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.481 3.937 -5.822 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.779 4.014 -7.098 1.00 0.16 C ATOM 1861 C ALA B 30 -14.289 4.290 -6.912 1.00 0.10 C ATOM 1862 O ALA B 30 -13.559 4.486 -7.879 1.00 0.05 O ATOM 1863 CB ALA B 30 -16.413 5.082 -7.981 1.00 0.20 C ATOM 0 H ALA B 30 -16.845 4.828 -5.484 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.871 3.044 -7.586 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.881 5.131 -8.931 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -17.458 4.831 -8.163 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -16.354 6.049 -7.482 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.833 4.296 -5.666 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.427 4.558 -5.386 1.00 0.13 C ATOM 1871 C HIS B 31 -11.684 3.277 -5.024 1.00 0.07 C ATOM 1872 O HIS B 31 -10.589 3.031 -5.517 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.286 5.584 -4.258 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.541 6.826 -4.652 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -11.944 7.656 -5.674 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -10.419 7.387 -4.142 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -11.102 8.666 -5.774 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -10.166 8.533 -4.854 1.00 1.22 N ATOM 0 H HIS B 31 -14.409 4.125 -4.842 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.980 4.964 -6.293 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.280 5.864 -3.909 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -11.773 5.116 -3.417 1.00 0.20 H new ATOM 0 HD2 HIS B 31 -9.830 7.002 -3.323 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -11.168 9.470 -6.492 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -9.387 9.173 -4.698 1.00 1.22 H new ATOM 1887 N ILE B 32 -12.287 2.448 -4.180 1.00 0.08 N ATOM 1888 CA ILE B 32 -11.642 1.197 -3.771 1.00 0.08 C ATOM 1889 C ILE B 32 -11.869 0.095 -4.806 1.00 0.07 C ATOM 1890 O ILE B 32 -11.272 -0.979 -4.734 1.00 0.14 O ATOM 1891 CB ILE B 32 -12.079 0.707 -2.356 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -13.364 -0.157 -2.393 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -12.221 1.881 -1.380 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -14.621 0.550 -2.864 1.00 0.10 C ATOM 0 H ILE B 32 -13.206 2.611 -3.769 1.00 0.08 H new ATOM 0 HA ILE B 32 -10.577 1.420 -3.711 1.00 0.08 H new ATOM 0 HB ILE B 32 -11.282 0.059 -1.991 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -13.185 -1.013 -3.044 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -13.544 -0.550 -1.392 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -12.527 1.507 -0.403 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -11.265 2.396 -1.289 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -12.973 2.576 -1.754 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -15.458 -0.148 -2.850 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -14.837 1.388 -2.202 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -14.473 0.918 -3.879 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.708 0.384 -5.786 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.011 -0.576 -6.834 1.00 0.05 C ATOM 1908 C ARG B 33 -11.899 -0.599 -7.882 1.00 0.04 C ATOM 1909 O ARG B 33 -11.698 -1.601 -8.571 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.348 -0.227 -7.483 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.122 -1.435 -7.978 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.527 -1.050 -8.410 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.511 0.015 -9.409 1.00 0.42 N ATOM 1914 CZ ARG B 33 -17.323 1.072 -9.397 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.238 1.205 -8.443 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -17.212 1.993 -10.342 1.00 1.46 N ATOM 0 H ARG B 33 -13.192 1.277 -5.878 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.080 -1.570 -6.391 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.961 0.315 -6.763 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.170 0.447 -8.321 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -14.593 -1.890 -8.816 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -15.174 -2.185 -7.189 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -17.035 -1.924 -8.818 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -17.099 -0.725 -7.541 1.00 0.36 H new ATOM 0 HE ARG B 33 -15.832 -0.055 -10.167 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.322 0.496 -7.714 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -18.857 2.016 -8.439 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -16.508 1.891 -11.073 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -17.830 2.804 -10.339 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.171 0.506 -7.993 1.00 0.06 N ATOM 1931 CA LEU B 34 -10.083 0.600 -8.959 1.00 0.09 C ATOM 1932 C LEU B 34 -8.780 0.095 -8.347 1.00 0.08 C ATOM 1933 O LEU B 34 -7.825 -0.216 -9.061 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.927 2.046 -9.463 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.466 3.076 -8.426 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.960 3.297 -8.510 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -10.210 4.389 -8.622 1.00 0.14 C ATOM 0 H LEU B 34 -11.313 1.345 -7.430 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.326 -0.031 -9.814 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -9.214 2.047 -10.288 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.884 2.373 -9.869 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.695 2.689 -7.433 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.658 4.032 -7.764 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.443 2.356 -8.322 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.701 3.661 -9.504 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.873 5.112 -7.879 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -10.009 4.775 -9.621 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -11.281 4.221 -8.506 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.763 -0.003 -7.021 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.592 -0.471 -6.289 1.00 0.08 C ATOM 1951 C VAL B 35 -7.265 -1.912 -6.652 1.00 0.08 C ATOM 1952 O VAL B 35 -6.099 -2.301 -6.726 1.00 0.11 O ATOM 1953 CB VAL B 35 -7.819 -0.381 -4.768 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -6.556 -0.744 -4.008 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.288 1.007 -4.395 1.00 0.09 C ATOM 0 H VAL B 35 -9.556 0.238 -6.427 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.758 0.173 -6.569 1.00 0.08 H new ATOM 0 HB VAL B 35 -8.592 -1.098 -4.491 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -6.743 -0.673 -2.937 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.261 -1.763 -4.258 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -5.756 -0.057 -4.283 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -8.446 1.061 -3.318 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -7.533 1.737 -4.688 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.224 1.226 -4.910 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.312 -2.691 -6.880 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.169 -4.092 -7.246 1.00 0.07 C ATOM 1967 C ALA B 36 -7.269 -4.255 -8.466 1.00 0.09 C ATOM 1968 O ALA B 36 -6.373 -5.096 -8.480 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.534 -4.699 -7.510 1.00 0.08 C ATOM 0 H ALA B 36 -9.279 -2.372 -6.817 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.699 -4.617 -6.414 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.419 -5.748 -7.783 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.146 -4.623 -6.611 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.019 -4.163 -8.325 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.497 -3.420 -9.476 1.00 0.12 N ATOM 1976 CA ALA B 37 -6.711 -3.464 -10.705 1.00 0.15 C ATOM 1977 C ALA B 37 -5.268 -3.054 -10.435 1.00 0.17 C ATOM 1978 O ALA B 37 -4.335 -3.588 -11.035 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.329 -2.557 -11.761 1.00 0.21 C ATOM 0 H ALA B 37 -8.222 -2.703 -9.467 1.00 0.12 H new ATOM 0 HA ALA B 37 -6.714 -4.488 -11.078 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -6.732 -2.600 -12.672 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.345 -2.889 -11.977 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.353 -1.532 -11.391 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.099 -2.106 -9.519 1.00 0.16 N ATOM 1986 CA PHE B 38 -3.780 -1.614 -9.143 1.00 0.18 C ATOM 1987 C PHE B 38 -2.943 -2.744 -8.545 1.00 0.15 C ATOM 1988 O PHE B 38 -1.754 -2.876 -8.840 1.00 0.16 O ATOM 1989 CB PHE B 38 -3.925 -0.464 -8.136 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.636 0.246 -7.811 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -1.826 -0.197 -6.774 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -2.235 1.353 -8.543 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -0.646 0.457 -6.473 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -1.055 2.009 -8.245 1.00 0.36 C ATOM 1995 CZ PHE B 38 -0.260 1.559 -7.210 1.00 0.14 C ATOM 0 H PHE B 38 -5.868 -1.660 -9.019 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.270 -1.244 -10.033 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.635 0.262 -8.532 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.352 -0.857 -7.213 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.121 -1.061 -6.197 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -2.852 1.707 -9.356 1.00 0.37 H new ATOM 0 HE1 PHE B 38 -0.026 0.106 -5.661 1.00 0.27 H new ATOM 0 HE2 PHE B 38 -0.756 2.872 -8.821 1.00 0.36 H new ATOM 0 HZ PHE B 38 0.663 2.069 -6.977 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.579 -3.570 -7.725 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.897 -4.689 -7.080 1.00 0.14 C ATOM 2007 C VAL B 39 -2.730 -5.854 -8.051 1.00 0.14 C ATOM 2008 O VAL B 39 -1.648 -6.434 -8.151 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.655 -5.174 -5.827 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.889 -6.288 -5.127 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.902 -4.022 -4.869 1.00 0.22 C ATOM 0 H VAL B 39 -4.568 -3.488 -7.489 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.915 -4.328 -6.773 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.618 -5.569 -6.149 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.443 -6.613 -4.247 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.766 -7.129 -5.809 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.909 -5.920 -4.823 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.438 -4.386 -3.992 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.948 -3.595 -4.560 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.498 -3.257 -5.366 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.807 -6.171 -8.769 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.818 -7.261 -9.750 1.00 0.21 C ATOM 2023 C ASP B 40 -2.641 -7.139 -10.714 1.00 0.27 C ATOM 2024 O ASP B 40 -1.906 -8.102 -10.956 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.135 -7.238 -10.534 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.422 -8.538 -11.255 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.772 -8.812 -12.282 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -6.317 -9.287 -10.804 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.698 -5.681 -8.689 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.727 -8.206 -9.215 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -5.955 -7.021 -9.849 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.104 -6.426 -11.261 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.454 -5.933 -11.239 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.373 -5.654 -12.175 1.00 0.37 C ATOM 2035 C ASP B 41 -0.010 -5.744 -11.501 1.00 0.32 C ATOM 2036 O ASP B 41 0.904 -6.385 -12.021 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.546 -4.263 -12.789 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.467 -3.928 -13.800 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -0.619 -4.304 -14.983 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 0.531 -3.275 -13.425 1.00 0.92 O ATOM 0 H ASP B 41 -3.043 -5.127 -11.029 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.419 -6.409 -12.959 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.521 -4.203 -13.272 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -1.537 -3.517 -11.995 1.00 0.46 H new ATOM 2045 N LYS B 42 0.118 -5.103 -10.344 1.00 0.28 N ATOM 2046 CA LYS B 42 1.374 -5.095 -9.604 1.00 0.24 C ATOM 2047 C LYS B 42 1.800 -6.513 -9.217 1.00 0.20 C ATOM 2048 O LYS B 42 2.982 -6.843 -9.247 1.00 0.18 O ATOM 2049 CB LYS B 42 1.248 -4.209 -8.358 1.00 0.24 C ATOM 2050 CG LYS B 42 2.586 -3.758 -7.788 1.00 0.21 C ATOM 2051 CD LYS B 42 2.522 -2.347 -7.213 1.00 0.40 C ATOM 2052 CE LYS B 42 2.428 -1.285 -8.303 1.00 0.55 C ATOM 2053 NZ LYS B 42 3.680 -1.191 -9.104 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.636 -4.581 -9.898 1.00 0.28 H new ATOM 0 HA LYS B 42 2.147 -4.683 -10.252 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.655 -3.329 -8.607 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.701 -4.755 -7.589 1.00 0.24 H new ATOM 0 HG2 LYS B 42 2.899 -4.452 -7.008 1.00 0.21 H new ATOM 0 HG3 LYS B 42 3.343 -3.795 -8.571 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.659 -2.264 -6.552 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.408 -2.164 -6.605 1.00 0.40 H new ATOM 0 HE2 LYS B 42 1.592 -1.517 -8.963 1.00 0.55 H new ATOM 0 HE3 LYS B 42 2.216 -0.317 -7.848 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 3.782 -0.225 -9.476 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 4.496 -1.417 -8.500 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 3.637 -1.865 -9.895 1.00 0.48 H new ATOM 2067 N MET B 43 0.832 -7.348 -8.868 1.00 0.21 N ATOM 2068 CA MET B 43 1.121 -8.726 -8.492 1.00 0.19 C ATOM 2069 C MET B 43 1.689 -9.503 -9.671 1.00 0.17 C ATOM 2070 O MET B 43 2.684 -10.218 -9.536 1.00 0.18 O ATOM 2071 CB MET B 43 -0.139 -9.417 -7.969 1.00 0.24 C ATOM 2072 CG MET B 43 -0.455 -9.095 -6.521 1.00 0.25 C ATOM 2073 SD MET B 43 -1.881 -10.006 -5.903 1.00 0.31 S ATOM 2074 CE MET B 43 -1.198 -11.653 -5.735 1.00 0.24 C ATOM 0 H MET B 43 -0.156 -7.098 -8.837 1.00 0.21 H new ATOM 0 HA MET B 43 1.867 -8.707 -7.698 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.986 -9.126 -8.590 1.00 0.24 H new ATOM 0 HB3 MET B 43 -0.022 -10.495 -8.075 1.00 0.24 H new ATOM 0 HG2 MET B 43 0.414 -9.325 -5.904 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.642 -8.026 -6.423 1.00 0.25 H new ATOM 0 HE1 MET B 43 -1.919 -12.296 -5.230 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.980 -12.059 -6.723 1.00 0.24 H new ATOM 0 HE3 MET B 43 -0.279 -11.608 -5.150 1.00 0.24 H new ATOM 2084 N HIS B 44 1.071 -9.343 -10.831 1.00 0.16 N ATOM 2085 CA HIS B 44 1.512 -10.045 -12.027 1.00 0.19 C ATOM 2086 C HIS B 44 2.858 -9.519 -12.520 1.00 0.25 C ATOM 2087 O HIS B 44 3.701 -10.293 -12.971 1.00 0.61 O ATOM 2088 CB HIS B 44 0.468 -9.930 -13.139 1.00 0.26 C ATOM 2089 CG HIS B 44 0.833 -10.689 -14.379 1.00 0.47 C ATOM 2090 ND1 HIS B 44 1.323 -10.086 -15.518 1.00 0.54 N ATOM 2091 CD2 HIS B 44 0.803 -12.015 -14.641 1.00 1.09 C ATOM 2092 CE1 HIS B 44 1.576 -11.012 -16.427 1.00 1.18 C ATOM 2093 NE2 HIS B 44 1.269 -12.191 -15.919 1.00 1.53 N ATOM 0 H HIS B 44 0.264 -8.735 -10.970 1.00 0.16 H new ATOM 0 HA HIS B 44 1.633 -11.095 -11.762 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.490 -10.295 -12.767 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.332 -8.879 -13.392 1.00 0.26 H new ATOM 0 HD2 HIS B 44 0.473 -12.792 -13.968 1.00 1.09 H new ATOM 0 HE1 HIS B 44 1.968 -10.834 -17.418 1.00 1.18 H new ATOM 0 HE2 HIS B 44 1.363 -13.086 -16.398 1.00 1.53 H new ATOM 2102 N GLU B 45 3.065 -8.209 -12.415 1.00 0.14 N ATOM 2103 CA GLU B 45 4.308 -7.595 -12.876 1.00 0.11 C ATOM 2104 C GLU B 45 5.512 -8.064 -12.051 1.00 0.07 C ATOM 2105 O GLU B 45 6.643 -8.047 -12.535 1.00 0.03 O ATOM 2106 CB GLU B 45 4.197 -6.062 -12.845 1.00 0.10 C ATOM 2107 CG GLU B 45 4.611 -5.429 -11.519 1.00 0.07 C ATOM 2108 CD GLU B 45 4.491 -3.921 -11.532 1.00 0.22 C ATOM 2109 OE1 GLU B 45 5.045 -3.281 -12.447 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 3.840 -3.362 -10.627 1.00 0.49 O ATOM 0 H GLU B 45 2.392 -7.554 -12.017 1.00 0.14 H new ATOM 0 HA GLU B 45 4.470 -7.914 -13.906 1.00 0.11 H new ATOM 0 HB2 GLU B 45 4.816 -5.648 -13.641 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.167 -5.779 -13.063 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.991 -5.832 -10.719 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.641 -5.706 -11.294 1.00 0.07 H new ATOM 2117 N PHE B 46 5.271 -8.505 -10.822 1.00 0.11 N ATOM 2118 CA PHE B 46 6.360 -8.960 -9.964 1.00 0.10 C ATOM 2119 C PHE B 46 6.459 -10.482 -9.916 1.00 0.10 C ATOM 2120 O PHE B 46 7.350 -11.036 -9.267 1.00 0.11 O ATOM 2121 CB PHE B 46 6.205 -8.384 -8.556 1.00 0.11 C ATOM 2122 CG PHE B 46 6.603 -6.935 -8.473 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.873 -6.531 -8.859 1.00 0.16 C ATOM 2124 CD2 PHE B 46 5.707 -5.980 -8.022 1.00 0.14 C ATOM 2125 CE1 PHE B 46 8.241 -5.203 -8.791 1.00 0.17 C ATOM 2126 CE2 PHE B 46 6.073 -4.649 -7.952 1.00 0.14 C ATOM 2127 CZ PHE B 46 7.339 -4.261 -8.338 1.00 0.15 C ATOM 0 H PHE B 46 4.344 -8.557 -10.400 1.00 0.11 H new ATOM 0 HA PHE B 46 7.291 -8.593 -10.397 1.00 0.10 H new ATOM 0 HB2 PHE B 46 5.168 -8.490 -8.237 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.813 -8.964 -7.862 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.581 -7.264 -9.217 1.00 0.16 H new ATOM 0 HD2 PHE B 46 4.713 -6.278 -7.722 1.00 0.14 H new ATOM 0 HE1 PHE B 46 9.233 -4.901 -9.092 1.00 0.17 H new ATOM 0 HE2 PHE B 46 5.368 -3.913 -7.595 1.00 0.14 H new ATOM 0 HZ PHE B 46 7.625 -3.221 -8.286 1.00 0.15 H new ATOM 2137 N SER B 47 5.560 -11.161 -10.621 1.00 0.09 N ATOM 2138 CA SER B 47 5.569 -12.620 -10.661 1.00 0.10 C ATOM 2139 C SER B 47 6.767 -13.129 -11.468 1.00 0.09 C ATOM 2140 O SER B 47 7.184 -14.278 -11.327 1.00 0.13 O ATOM 2141 CB SER B 47 4.259 -13.144 -11.264 1.00 0.13 C ATOM 2142 OG SER B 47 3.133 -12.710 -10.510 1.00 0.49 O ATOM 0 H SER B 47 4.818 -10.727 -11.171 1.00 0.09 H new ATOM 0 HA SER B 47 5.658 -12.992 -9.640 1.00 0.10 H new ATOM 0 HB2 SER B 47 4.166 -12.797 -12.293 1.00 0.13 H new ATOM 0 HB3 SER B 47 4.281 -14.233 -11.295 1.00 0.13 H new ATOM 0 HG SER B 47 3.178 -11.739 -10.384 1.00 0.49 H new ATOM 2148 N GLU B 48 7.330 -12.253 -12.291 1.00 0.13 N ATOM 2149 CA GLU B 48 8.478 -12.597 -13.121 1.00 0.12 C ATOM 2150 C GLU B 48 9.769 -12.656 -12.307 1.00 0.09 C ATOM 2151 O GLU B 48 10.754 -13.261 -12.735 1.00 0.07 O ATOM 2152 CB GLU B 48 8.641 -11.572 -14.245 1.00 0.15 C ATOM 2153 CG GLU B 48 8.844 -10.150 -13.743 1.00 0.17 C ATOM 2154 CD GLU B 48 9.617 -9.289 -14.718 1.00 0.71 C ATOM 2155 OE1 GLU B 48 9.006 -8.770 -15.673 1.00 1.67 O ATOM 2156 OE2 GLU B 48 10.838 -9.108 -14.520 1.00 0.76 O1- ATOM 0 H GLU B 48 7.007 -11.292 -12.402 1.00 0.13 H new ATOM 0 HA GLU B 48 8.291 -13.586 -13.540 1.00 0.12 H new ATOM 0 HB2 GLU B 48 9.492 -11.855 -14.864 1.00 0.15 H new ATOM 0 HB3 GLU B 48 7.758 -11.601 -14.884 1.00 0.15 H new ATOM 0 HG2 GLU B 48 7.872 -9.694 -13.554 1.00 0.17 H new ATOM 0 HG3 GLU B 48 9.374 -10.178 -12.791 1.00 0.17 H new ATOM 2163 N LYS B 49 9.764 -12.023 -11.138 1.00 0.10 N ATOM 2164 CA LYS B 49 10.948 -11.993 -10.289 1.00 0.10 C ATOM 2165 C LYS B 49 11.085 -13.289 -9.499 1.00 0.15 C ATOM 2166 O LYS B 49 12.077 -14.001 -9.635 1.00 0.23 O ATOM 2167 CB LYS B 49 10.903 -10.792 -9.332 1.00 0.09 C ATOM 2168 CG LYS B 49 10.629 -9.461 -10.019 1.00 0.12 C ATOM 2169 CD LYS B 49 11.682 -9.134 -11.068 1.00 0.05 C ATOM 2170 CE LYS B 49 11.523 -7.718 -11.612 1.00 1.11 C ATOM 2171 NZ LYS B 49 12.298 -7.515 -12.862 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.957 -11.527 -10.759 1.00 0.10 H new ATOM 0 HA LYS B 49 11.819 -11.890 -10.936 1.00 0.10 H new ATOM 0 HB2 LYS B 49 10.132 -10.967 -8.582 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.854 -10.727 -8.803 1.00 0.09 H new ATOM 0 HG2 LYS B 49 9.646 -9.491 -10.489 1.00 0.12 H new ATOM 0 HG3 LYS B 49 10.601 -8.667 -9.273 1.00 0.12 H new ATOM 0 HD2 LYS B 49 12.675 -9.246 -10.633 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.611 -9.848 -11.888 1.00 0.05 H new ATOM 0 HE2 LYS B 49 10.468 -7.518 -11.802 1.00 1.11 H new ATOM 0 HE3 LYS B 49 11.853 -7.001 -10.860 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 12.205 -6.527 -13.172 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 13.301 -7.730 -12.688 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 11.933 -8.146 -13.603 1.00 1.14 H new ATOM 2185 N GLN B 50 10.068 -13.587 -8.692 1.00 0.20 N ATOM 2186 CA GLN B 50 10.040 -14.789 -7.857 1.00 0.30 C ATOM 2187 C GLN B 50 11.368 -15.019 -7.118 1.00 0.13 C ATOM 2188 O GLN B 50 12.038 -16.020 -7.350 1.00 0.29 O ATOM 2189 CB GLN B 50 9.694 -16.011 -8.709 1.00 0.53 C ATOM 2190 CG GLN B 50 8.521 -16.810 -8.171 1.00 1.05 C ATOM 2191 CD GLN B 50 7.192 -16.132 -8.431 1.00 1.30 C ATOM 2192 OE1 GLN B 50 6.757 -15.277 -7.657 1.00 1.37 O ATOM 2193 NE2 GLN B 50 6.538 -16.515 -9.510 1.00 1.60 N ATOM 0 H GLN B 50 9.238 -13.001 -8.598 1.00 0.20 H new ATOM 0 HA GLN B 50 9.271 -14.640 -7.099 1.00 0.30 H new ATOM 0 HB2 GLN B 50 9.466 -15.684 -9.724 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.568 -16.660 -8.772 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.517 -17.799 -8.630 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.647 -16.957 -7.098 1.00 1.05 H new ATOM 0 HE21 GLN B 50 6.937 -17.227 -10.122 1.00 1.60 H new ATOM 0 HE22 GLN B 50 5.633 -16.100 -9.732 1.00 1.60 H new ATOM 2202 N PRO B 51 11.754 -14.116 -6.199 1.00 0.16 N ATOM 2203 CA PRO B 51 13.017 -14.239 -5.453 1.00 0.27 C ATOM 2204 C PRO B 51 13.049 -15.450 -4.526 1.00 0.20 C ATOM 2205 O PRO B 51 14.073 -16.118 -4.394 1.00 0.19 O ATOM 2206 CB PRO B 51 13.089 -12.951 -4.624 1.00 0.48 C ATOM 2207 CG PRO B 51 12.074 -12.032 -5.212 1.00 0.51 C ATOM 2208 CD PRO B 51 11.013 -12.906 -5.812 1.00 0.41 C ATOM 0 HA PRO B 51 13.856 -14.377 -6.135 1.00 0.27 H new ATOM 0 HB2 PRO B 51 12.875 -13.150 -3.574 1.00 0.48 H new ATOM 0 HB3 PRO B 51 14.086 -12.513 -4.669 1.00 0.48 H new ATOM 0 HG2 PRO B 51 11.653 -11.378 -4.448 1.00 0.51 H new ATOM 0 HG3 PRO B 51 12.523 -11.390 -5.970 1.00 0.51 H new ATOM 0 HD2 PRO B 51 10.223 -13.130 -5.095 1.00 0.41 H new ATOM 0 HD3 PRO B 51 10.539 -12.432 -6.671 1.00 0.41 H new ATOM 2216 N MET B 52 11.919 -15.736 -3.891 1.00 0.17 N ATOM 2217 CA MET B 52 11.843 -16.852 -2.954 1.00 0.11 C ATOM 2218 C MET B 52 11.100 -18.044 -3.554 1.00 0.09 C ATOM 2219 O MET B 52 10.920 -19.058 -2.887 1.00 0.08 O ATOM 2220 CB MET B 52 11.154 -16.408 -1.663 1.00 0.12 C ATOM 2221 CG MET B 52 11.802 -15.198 -1.010 1.00 0.18 C ATOM 2222 SD MET B 52 13.523 -15.493 -0.556 1.00 0.26 S ATOM 2223 CE MET B 52 13.980 -13.886 0.092 1.00 0.43 C ATOM 0 H MET B 52 11.049 -15.216 -4.006 1.00 0.17 H new ATOM 0 HA MET B 52 12.863 -17.169 -2.734 1.00 0.11 H new ATOM 0 HB2 MET B 52 10.111 -16.178 -1.879 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.158 -17.237 -0.956 1.00 0.12 H new ATOM 0 HG2 MET B 52 11.751 -14.350 -1.693 1.00 0.18 H new ATOM 0 HG3 MET B 52 11.237 -14.924 -0.119 1.00 0.18 H new ATOM 0 HE1 MET B 52 15.062 -13.764 0.034 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.495 -13.106 -0.495 1.00 0.43 H new ATOM 0 HE3 MET B 52 13.662 -13.809 1.132 1.00 0.43 H new ATOM 2233 N LEU B 53 10.687 -17.910 -4.817 1.00 0.10 N ATOM 2234 CA LEU B 53 9.953 -18.969 -5.527 1.00 0.11 C ATOM 2235 C LEU B 53 8.825 -19.549 -4.665 1.00 0.08 C ATOM 2236 O LEU B 53 8.851 -20.720 -4.285 1.00 0.10 O ATOM 2237 CB LEU B 53 10.917 -20.077 -5.970 1.00 0.19 C ATOM 2238 CG LEU B 53 12.084 -19.607 -6.844 1.00 0.25 C ATOM 2239 CD1 LEU B 53 13.204 -20.635 -6.833 1.00 0.62 C ATOM 2240 CD2 LEU B 53 11.619 -19.345 -8.270 1.00 1.07 C ATOM 0 H LEU B 53 10.849 -17.072 -5.376 1.00 0.10 H new ATOM 0 HA LEU B 53 9.495 -18.524 -6.410 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.320 -20.564 -5.082 1.00 0.19 H new ATOM 0 HB3 LEU B 53 10.353 -20.831 -6.518 1.00 0.19 H new ATOM 0 HG LEU B 53 12.465 -18.673 -6.431 1.00 0.25 H new ATOM 0 HD11 LEU B 53 14.025 -20.285 -7.459 1.00 0.62 H new ATOM 0 HD12 LEU B 53 13.560 -20.774 -5.812 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.831 -21.583 -7.220 1.00 0.62 H new ATOM 0 HD21 LEU B 53 12.464 -19.012 -8.873 1.00 1.07 H new ATOM 0 HD22 LEU B 53 11.210 -20.262 -8.694 1.00 1.07 H new ATOM 0 HD23 LEU B 53 10.850 -18.573 -8.266 1.00 1.07 H new ATOM 2252 N ASP B 54 7.838 -18.716 -4.372 1.00 0.09 N ATOM 2253 CA ASP B 54 6.706 -19.115 -3.542 1.00 0.12 C ATOM 2254 C ASP B 54 5.513 -18.191 -3.808 1.00 0.10 C ATOM 2255 O ASP B 54 5.694 -17.084 -4.318 1.00 0.18 O ATOM 2256 CB ASP B 54 7.123 -19.080 -2.068 1.00 0.19 C ATOM 2257 CG ASP B 54 5.960 -18.939 -1.114 1.00 0.24 C ATOM 2258 OD1 ASP B 54 5.315 -19.964 -0.804 1.00 0.26 O ATOM 2259 OD2 ASP B 54 5.692 -17.803 -0.677 1.00 0.28 O1- ATOM 0 H ASP B 54 7.796 -17.751 -4.699 1.00 0.09 H new ATOM 0 HA ASP B 54 6.402 -20.132 -3.790 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.668 -19.994 -1.831 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.812 -18.249 -1.913 1.00 0.19 H new ATOM 2264 N VAL B 55 4.307 -18.649 -3.485 1.00 0.11 N ATOM 2265 CA VAL B 55 3.096 -17.859 -3.715 1.00 0.12 C ATOM 2266 C VAL B 55 2.922 -16.703 -2.701 1.00 0.08 C ATOM 2267 O VAL B 55 2.999 -15.542 -3.103 1.00 0.04 O ATOM 2268 CB VAL B 55 1.828 -18.743 -3.739 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.610 -17.928 -4.151 1.00 0.08 C ATOM 2270 CG2 VAL B 55 2.019 -19.934 -4.671 1.00 0.32 C ATOM 0 H VAL B 55 4.140 -19.563 -3.063 1.00 0.11 H new ATOM 0 HA VAL B 55 3.226 -17.409 -4.699 1.00 0.12 H new ATOM 0 HB VAL B 55 1.659 -19.122 -2.731 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.271 -18.570 -4.161 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.459 -17.115 -3.440 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.769 -17.514 -5.147 1.00 0.08 H new ATOM 0 HG21 VAL B 55 1.115 -20.543 -4.673 1.00 0.32 H new ATOM 0 HG22 VAL B 55 2.218 -19.577 -5.681 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.860 -20.535 -4.326 1.00 0.32 H new ATOM 2280 N PRO B 56 2.683 -16.977 -1.387 1.00 0.10 N ATOM 2281 CA PRO B 56 2.489 -15.921 -0.375 1.00 0.10 C ATOM 2282 C PRO B 56 3.543 -14.816 -0.410 1.00 0.07 C ATOM 2283 O PRO B 56 3.215 -13.642 -0.226 1.00 0.14 O ATOM 2284 CB PRO B 56 2.547 -16.663 0.969 1.00 0.14 C ATOM 2285 CG PRO B 56 2.953 -18.063 0.653 1.00 0.15 C ATOM 2286 CD PRO B 56 2.560 -18.310 -0.773 1.00 0.14 C ATOM 0 HA PRO B 56 1.549 -15.401 -0.557 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.263 -16.193 1.643 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.578 -16.642 1.468 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.027 -18.195 0.788 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.459 -18.770 1.319 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.216 -19.037 -1.252 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.544 -18.698 -0.850 1.00 0.14 H new ATOM 2294 N LYS B 57 4.799 -15.183 -0.658 1.00 0.09 N ATOM 2295 CA LYS B 57 5.884 -14.203 -0.704 1.00 0.06 C ATOM 2296 C LYS B 57 5.647 -13.147 -1.790 1.00 0.07 C ATOM 2297 O LYS B 57 6.247 -12.076 -1.761 1.00 0.12 O ATOM 2298 CB LYS B 57 7.235 -14.904 -0.924 1.00 0.12 C ATOM 2299 CG LYS B 57 7.445 -15.432 -2.335 1.00 0.17 C ATOM 2300 CD LYS B 57 8.194 -14.435 -3.206 1.00 0.47 C ATOM 2301 CE LYS B 57 8.012 -14.737 -4.683 1.00 0.23 C ATOM 2302 NZ LYS B 57 6.579 -14.750 -5.077 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.090 -16.145 -0.829 1.00 0.09 H new ATOM 0 HA LYS B 57 5.905 -13.690 0.258 1.00 0.06 H new ATOM 0 HB2 LYS B 57 8.037 -14.204 -0.688 1.00 0.12 H new ATOM 0 HB3 LYS B 57 7.319 -15.734 -0.222 1.00 0.12 H new ATOM 0 HG2 LYS B 57 8.002 -16.368 -2.294 1.00 0.17 H new ATOM 0 HG3 LYS B 57 6.479 -15.655 -2.787 1.00 0.17 H new ATOM 0 HD2 LYS B 57 7.839 -13.427 -2.994 1.00 0.47 H new ATOM 0 HD3 LYS B 57 9.255 -14.458 -2.957 1.00 0.47 H new ATOM 0 HE2 LYS B 57 8.543 -13.991 -5.274 1.00 0.23 H new ATOM 0 HE3 LYS B 57 8.460 -15.704 -4.913 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 6.504 -14.722 -6.114 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 6.129 -15.617 -4.721 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 6.100 -13.920 -4.673 1.00 0.62 H new ATOM 2316 N LEU B 58 4.783 -13.453 -2.759 1.00 0.07 N ATOM 2317 CA LEU B 58 4.487 -12.511 -3.834 1.00 0.11 C ATOM 2318 C LEU B 58 3.581 -11.409 -3.307 1.00 0.11 C ATOM 2319 O LEU B 58 3.827 -10.228 -3.539 1.00 0.14 O ATOM 2320 CB LEU B 58 3.827 -13.238 -5.029 1.00 0.14 C ATOM 2321 CG LEU B 58 3.802 -12.502 -6.388 1.00 0.16 C ATOM 2322 CD1 LEU B 58 2.734 -11.418 -6.404 1.00 0.17 C ATOM 2323 CD2 LEU B 58 5.165 -11.914 -6.739 1.00 0.27 C ATOM 0 H LEU B 58 4.281 -14.339 -2.820 1.00 0.07 H new ATOM 0 HA LEU B 58 5.418 -12.067 -4.187 1.00 0.11 H new ATOM 0 HB2 LEU B 58 4.342 -14.188 -5.171 1.00 0.14 H new ATOM 0 HB3 LEU B 58 2.798 -13.471 -4.754 1.00 0.14 H new ATOM 0 HG LEU B 58 3.554 -13.242 -7.149 1.00 0.16 H new ATOM 0 HD11 LEU B 58 2.739 -10.917 -7.372 1.00 0.17 H new ATOM 0 HD12 LEU B 58 1.756 -11.868 -6.233 1.00 0.17 H new ATOM 0 HD13 LEU B 58 2.941 -10.692 -5.618 1.00 0.17 H new ATOM 0 HD21 LEU B 58 5.105 -11.405 -7.701 1.00 0.27 H new ATOM 0 HD22 LEU B 58 5.463 -11.202 -5.970 1.00 0.27 H new ATOM 0 HD23 LEU B 58 5.903 -12.714 -6.797 1.00 0.27 H new ATOM 2335 N ALA B 59 2.556 -11.809 -2.562 1.00 0.08 N ATOM 2336 CA ALA B 59 1.600 -10.871 -1.994 1.00 0.09 C ATOM 2337 C ALA B 59 2.277 -9.942 -0.990 1.00 0.14 C ATOM 2338 O ALA B 59 1.906 -8.774 -0.859 1.00 0.31 O ATOM 2339 CB ALA B 59 0.457 -11.630 -1.344 1.00 0.07 C ATOM 0 H ALA B 59 2.367 -12.786 -2.337 1.00 0.08 H new ATOM 0 HA ALA B 59 1.199 -10.252 -2.797 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.256 -10.922 -0.921 1.00 0.07 H new ATOM 0 HB2 ALA B 59 -0.043 -12.245 -2.092 1.00 0.07 H new ATOM 0 HB3 ALA B 59 0.848 -12.269 -0.552 1.00 0.07 H new ATOM 2345 N VAL B 60 3.281 -10.462 -0.293 1.00 0.02 N ATOM 2346 CA VAL B 60 4.016 -9.663 0.684 1.00 0.05 C ATOM 2347 C VAL B 60 4.958 -8.711 -0.046 1.00 0.08 C ATOM 2348 O VAL B 60 5.131 -7.554 0.350 1.00 0.12 O ATOM 2349 CB VAL B 60 4.838 -10.537 1.668 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.515 -9.672 2.721 1.00 0.07 C ATOM 2351 CG2 VAL B 60 3.971 -11.594 2.340 1.00 0.13 C ATOM 0 H VAL B 60 3.604 -11.425 -0.384 1.00 0.02 H new ATOM 0 HA VAL B 60 3.282 -9.109 1.269 1.00 0.05 H new ATOM 0 HB VAL B 60 5.603 -11.049 1.084 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.086 -10.305 3.400 1.00 0.07 H new ATOM 0 HG12 VAL B 60 6.186 -8.965 2.234 1.00 0.07 H new ATOM 0 HG13 VAL B 60 4.759 -9.125 3.284 1.00 0.07 H new ATOM 0 HG21 VAL B 60 4.582 -12.186 3.022 1.00 0.13 H new ATOM 0 HG22 VAL B 60 3.172 -11.107 2.899 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.538 -12.246 1.581 1.00 0.13 H new ATOM 2361 N LEU B 61 5.539 -9.208 -1.136 1.00 0.08 N ATOM 2362 CA LEU B 61 6.467 -8.432 -1.949 1.00 0.11 C ATOM 2363 C LEU B 61 5.774 -7.205 -2.531 1.00 0.11 C ATOM 2364 O LEU B 61 6.383 -6.144 -2.676 1.00 0.13 O ATOM 2365 CB LEU B 61 7.035 -9.304 -3.076 1.00 0.13 C ATOM 2366 CG LEU B 61 8.095 -8.638 -3.959 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.374 -8.390 -3.174 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.378 -9.497 -5.182 1.00 0.17 C ATOM 0 H LEU B 61 5.379 -10.156 -1.478 1.00 0.08 H new ATOM 0 HA LEU B 61 7.287 -8.095 -1.314 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.468 -10.201 -2.634 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.210 -9.628 -3.711 1.00 0.13 H new ATOM 0 HG LEU B 61 7.709 -7.674 -4.291 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.112 -7.917 -3.821 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.161 -7.737 -2.328 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.767 -9.339 -2.809 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.133 -9.012 -5.801 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.742 -10.474 -4.864 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.462 -9.622 -5.759 1.00 0.17 H new ATOM 2380 N THR B 62 4.500 -7.349 -2.869 1.00 0.10 N ATOM 2381 CA THR B 62 3.738 -6.240 -3.411 1.00 0.09 C ATOM 2382 C THR B 62 3.335 -5.273 -2.307 1.00 0.09 C ATOM 2383 O THR B 62 3.420 -4.061 -2.473 1.00 0.08 O ATOM 2384 CB THR B 62 2.473 -6.730 -4.142 1.00 0.10 C ATOM 2385 OG1 THR B 62 1.994 -7.940 -3.539 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.751 -6.979 -5.611 1.00 0.12 C ATOM 0 H THR B 62 3.977 -8.220 -2.777 1.00 0.10 H new ATOM 0 HA THR B 62 4.380 -5.727 -4.127 1.00 0.09 H new ATOM 0 HB THR B 62 1.716 -5.951 -4.058 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.031 -7.856 -2.563 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.840 -7.324 -6.100 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.087 -6.054 -6.080 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.526 -7.739 -5.711 1.00 0.12 H new ATOM 2394 N ALA B 63 2.924 -5.826 -1.170 1.00 0.10 N ATOM 2395 CA ALA B 63 2.490 -5.029 -0.029 1.00 0.11 C ATOM 2396 C ALA B 63 3.576 -4.066 0.445 1.00 0.11 C ATOM 2397 O ALA B 63 3.329 -2.870 0.611 1.00 0.12 O ATOM 2398 CB ALA B 63 2.065 -5.942 1.109 1.00 0.10 C ATOM 0 H ALA B 63 2.883 -6.833 -1.014 1.00 0.10 H new ATOM 0 HA ALA B 63 1.640 -4.427 -0.351 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.742 -5.339 1.958 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.241 -6.575 0.779 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.906 -6.567 1.407 1.00 0.10 H new ATOM 2404 N VAL B 64 4.778 -4.590 0.644 1.00 0.09 N ATOM 2405 CA VAL B 64 5.899 -3.781 1.112 1.00 0.10 C ATOM 2406 C VAL B 64 6.284 -2.693 0.098 1.00 0.12 C ATOM 2407 O VAL B 64 6.719 -1.609 0.480 1.00 0.12 O ATOM 2408 CB VAL B 64 7.131 -4.660 1.458 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.650 -5.398 0.236 1.00 0.12 C ATOM 2410 CG2 VAL B 64 8.240 -3.830 2.090 1.00 0.11 C ATOM 0 H VAL B 64 5.003 -5.573 0.489 1.00 0.09 H new ATOM 0 HA VAL B 64 5.567 -3.285 2.024 1.00 0.10 H new ATOM 0 HB VAL B 64 6.803 -5.403 2.185 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.512 -6.003 0.516 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.866 -6.044 -0.159 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.945 -4.677 -0.527 1.00 0.12 H new ATOM 0 HG21 VAL B 64 9.089 -4.473 2.321 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.553 -3.051 1.394 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.873 -3.370 3.008 1.00 0.11 H new ATOM 2420 N GLN B 65 6.097 -2.970 -1.184 1.00 0.15 N ATOM 2421 CA GLN B 65 6.435 -1.996 -2.215 1.00 0.19 C ATOM 2422 C GLN B 65 5.325 -0.961 -2.383 1.00 0.13 C ATOM 2423 O GLN B 65 5.600 0.225 -2.557 1.00 0.16 O ATOM 2424 CB GLN B 65 6.722 -2.696 -3.542 1.00 0.34 C ATOM 2425 CG GLN B 65 8.040 -3.462 -3.541 1.00 0.57 C ATOM 2426 CD GLN B 65 8.332 -4.126 -4.868 1.00 0.79 C ATOM 2427 OE1 GLN B 65 8.987 -3.550 -5.732 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.839 -5.340 -5.036 1.00 0.80 N ATOM 0 H GLN B 65 5.718 -3.850 -1.534 1.00 0.15 H new ATOM 0 HA GLN B 65 7.336 -1.472 -1.897 1.00 0.19 H new ATOM 0 HB2 GLN B 65 5.908 -3.386 -3.766 1.00 0.34 H new ATOM 0 HB3 GLN B 65 6.740 -1.954 -4.341 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.852 -2.778 -3.295 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.014 -4.220 -2.758 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.300 -5.779 -4.290 1.00 0.80 H new ATOM 0 HE22 GLN B 65 7.997 -5.838 -5.912 1.00 0.80 H new ATOM 2437 N ILE B 66 4.076 -1.417 -2.312 1.00 0.15 N ATOM 2438 CA ILE B 66 2.917 -0.537 -2.459 1.00 0.16 C ATOM 2439 C ILE B 66 2.968 0.624 -1.464 1.00 0.11 C ATOM 2440 O ILE B 66 2.714 1.775 -1.828 1.00 0.27 O ATOM 2441 CB ILE B 66 1.595 -1.326 -2.279 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.265 -2.096 -3.563 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.444 -0.399 -1.899 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.129 -3.089 -3.410 1.00 1.38 C ATOM 0 H ILE B 66 3.839 -2.396 -2.153 1.00 0.15 H new ATOM 0 HA ILE B 66 2.949 -0.127 -3.469 1.00 0.16 H new ATOM 0 HB ILE B 66 1.730 -2.037 -1.464 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.008 -1.383 -4.347 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.157 -2.627 -3.895 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.469 -0.982 -1.780 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.677 0.105 -0.961 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.300 0.343 -2.684 1.00 0.89 H new ATOM 0 HD11 ILE B 66 -0.044 -3.593 -4.361 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.390 -3.826 -2.651 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.776 -2.562 -3.109 1.00 1.38 H new ATOM 2456 N ALA B 67 3.306 0.318 -0.216 1.00 0.16 N ATOM 2457 CA ALA B 67 3.395 1.336 0.820 1.00 0.13 C ATOM 2458 C ALA B 67 4.419 2.403 0.438 1.00 0.06 C ATOM 2459 O ALA B 67 4.153 3.598 0.540 1.00 0.09 O ATOM 2460 CB ALA B 67 3.758 0.703 2.153 1.00 0.16 C ATOM 0 H ALA B 67 3.522 -0.627 0.101 1.00 0.16 H new ATOM 0 HA ALA B 67 2.421 1.816 0.917 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.821 1.477 2.918 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.993 -0.022 2.432 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.721 0.199 2.066 1.00 0.16 H new ATOM 2466 N SER B 68 5.573 1.953 -0.039 1.00 0.08 N ATOM 2467 CA SER B 68 6.645 2.856 -0.439 1.00 0.06 C ATOM 2468 C SER B 68 6.221 3.700 -1.646 1.00 0.16 C ATOM 2469 O SER B 68 6.587 4.874 -1.758 1.00 0.21 O ATOM 2470 CB SER B 68 7.907 2.053 -0.766 1.00 0.06 C ATOM 2471 OG SER B 68 9.059 2.877 -0.782 1.00 0.28 O ATOM 0 H SER B 68 5.791 0.964 -0.159 1.00 0.08 H new ATOM 0 HA SER B 68 6.859 3.532 0.389 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.036 1.260 -0.029 1.00 0.06 H new ATOM 0 HB3 SER B 68 7.791 1.570 -1.736 1.00 0.06 H new ATOM 0 HG SER B 68 9.847 2.334 -0.992 1.00 0.28 H new ATOM 2477 N GLU B 69 5.427 3.101 -2.531 1.00 0.26 N ATOM 2478 CA GLU B 69 4.946 3.783 -3.732 1.00 0.35 C ATOM 2479 C GLU B 69 4.095 5.002 -3.377 1.00 0.24 C ATOM 2480 O GLU B 69 4.086 5.997 -4.100 1.00 0.18 O ATOM 2481 CB GLU B 69 4.131 2.821 -4.605 1.00 0.52 C ATOM 2482 CG GLU B 69 4.957 1.695 -5.213 1.00 0.44 C ATOM 2483 CD GLU B 69 5.265 1.914 -6.679 1.00 1.20 C ATOM 2484 OE1 GLU B 69 6.016 2.860 -7.000 1.00 1.71 O ATOM 2485 OE2 GLU B 69 4.765 1.134 -7.519 1.00 1.60 O1- ATOM 0 H GLU B 69 5.101 2.139 -2.438 1.00 0.26 H new ATOM 0 HA GLU B 69 5.819 4.123 -4.289 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.331 2.389 -4.004 1.00 0.52 H new ATOM 0 HB3 GLU B 69 3.657 3.386 -5.408 1.00 0.52 H new ATOM 0 HG2 GLU B 69 5.892 1.599 -4.661 1.00 0.44 H new ATOM 0 HG3 GLU B 69 4.420 0.754 -5.097 1.00 0.44 H new ATOM 2492 N TYR B 70 3.389 4.928 -2.256 1.00 0.23 N ATOM 2493 CA TYR B 70 2.536 6.030 -1.825 1.00 0.15 C ATOM 2494 C TYR B 70 3.248 6.945 -0.829 1.00 0.08 C ATOM 2495 O TYR B 70 2.963 8.144 -0.766 1.00 0.12 O ATOM 2496 CB TYR B 70 1.242 5.497 -1.218 1.00 0.24 C ATOM 2497 CG TYR B 70 0.257 5.001 -2.251 1.00 0.32 C ATOM 2498 CD1 TYR B 70 -0.545 5.891 -2.955 1.00 0.75 C ATOM 2499 CD2 TYR B 70 0.128 3.645 -2.525 1.00 0.57 C ATOM 2500 CE1 TYR B 70 -1.444 5.445 -3.903 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -0.768 3.193 -3.473 1.00 0.56 C ATOM 2502 CZ TYR B 70 -1.552 4.096 -4.157 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.444 3.648 -5.102 1.00 0.59 O ATOM 0 H TYR B 70 3.389 4.122 -1.631 1.00 0.23 H new ATOM 0 HA TYR B 70 2.299 6.623 -2.708 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.479 4.684 -0.532 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.774 6.285 -0.629 1.00 0.24 H new ATOM 0 HD1 TYR B 70 -0.464 6.950 -2.757 1.00 0.75 H new ATOM 0 HD2 TYR B 70 0.738 2.934 -1.988 1.00 0.57 H new ATOM 0 HE1 TYR B 70 -2.059 6.150 -4.442 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -0.854 2.136 -3.678 1.00 0.56 H new ATOM 0 HH TYR B 70 -1.980 3.068 -5.741 1.00 0.59 H new ATOM 2513 N LEU B 71 4.172 6.389 -0.054 1.00 0.09 N ATOM 2514 CA LEU B 71 4.919 7.176 0.925 1.00 0.17 C ATOM 2515 C LEU B 71 5.765 8.241 0.231 1.00 0.22 C ATOM 2516 O LEU B 71 5.906 9.359 0.730 1.00 0.26 O ATOM 2517 CB LEU B 71 5.810 6.270 1.781 1.00 0.24 C ATOM 2518 CG LEU B 71 5.122 5.683 3.028 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.764 4.374 3.456 1.00 0.32 C ATOM 2520 CD2 LEU B 71 5.159 6.671 4.186 1.00 0.32 C ATOM 0 H LEU B 71 4.423 5.401 -0.083 1.00 0.09 H new ATOM 0 HA LEU B 71 4.200 7.674 1.576 1.00 0.17 H new ATOM 0 HB2 LEU B 71 6.171 5.449 1.162 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.684 6.838 2.099 1.00 0.24 H new ATOM 0 HG LEU B 71 4.084 5.487 2.758 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.253 3.989 4.338 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.686 3.649 2.646 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.815 4.544 3.691 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.667 6.233 5.054 1.00 0.32 H new ATOM 0 HD22 LEU B 71 6.195 6.902 4.434 1.00 0.32 H new ATOM 0 HD23 LEU B 71 4.642 7.587 3.900 1.00 0.32 H new ATOM 2532 N LYS B 72 6.301 7.893 -0.936 1.00 0.23 N ATOM 2533 CA LYS B 72 7.123 8.819 -1.713 1.00 0.27 C ATOM 2534 C LYS B 72 6.262 9.927 -2.328 1.00 0.24 C ATOM 2535 O LYS B 72 6.772 10.963 -2.756 1.00 0.29 O ATOM 2536 CB LYS B 72 7.884 8.068 -2.815 1.00 0.31 C ATOM 2537 CG LYS B 72 6.991 7.515 -3.923 1.00 0.38 C ATOM 2538 CD LYS B 72 7.759 6.591 -4.860 1.00 0.40 C ATOM 2539 CE LYS B 72 6.867 6.064 -5.977 1.00 0.52 C ATOM 2540 NZ LYS B 72 7.540 5.018 -6.791 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.181 6.976 -1.365 1.00 0.23 H new ATOM 0 HA LYS B 72 7.845 9.278 -1.038 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.619 8.741 -3.257 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.437 7.244 -2.363 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.156 6.972 -3.480 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.567 8.341 -4.494 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.604 7.128 -5.290 1.00 0.40 H new ATOM 0 HD3 LYS B 72 8.168 5.754 -4.294 1.00 0.40 H new ATOM 0 HE2 LYS B 72 5.953 5.654 -5.546 1.00 0.52 H new ATOM 0 HE3 LYS B 72 6.572 6.890 -6.624 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 7.611 5.338 -7.778 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 8.494 4.845 -6.414 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 6.987 4.138 -6.751 1.00 0.58 H new ATOM 2554 N LEU B 73 4.956 9.699 -2.364 1.00 0.17 N ATOM 2555 CA LEU B 73 4.023 10.669 -2.921 1.00 0.14 C ATOM 2556 C LEU B 73 3.623 11.703 -1.871 1.00 0.11 C ATOM 2557 O LEU B 73 3.592 12.901 -2.147 1.00 0.09 O ATOM 2558 CB LEU B 73 2.779 9.956 -3.458 1.00 0.13 C ATOM 2559 CG LEU B 73 1.679 10.872 -4.003 1.00 0.12 C ATOM 2560 CD1 LEU B 73 2.119 11.535 -5.301 1.00 0.08 C ATOM 2561 CD2 LEU B 73 0.394 10.086 -4.210 1.00 0.15 C ATOM 0 H LEU B 73 4.518 8.848 -2.013 1.00 0.17 H new ATOM 0 HA LEU B 73 4.518 11.188 -3.742 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.086 9.274 -4.251 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.357 9.346 -2.659 1.00 0.13 H new ATOM 0 HG LEU B 73 1.492 11.658 -3.271 1.00 0.12 H new ATOM 0 HD11 LEU B 73 1.321 12.180 -5.669 1.00 0.08 H new ATOM 0 HD12 LEU B 73 3.014 12.131 -5.120 1.00 0.08 H new ATOM 0 HD13 LEU B 73 2.338 10.769 -6.045 1.00 0.08 H new ATOM 0 HD21 LEU B 73 -0.380 10.749 -4.598 1.00 0.15 H new ATOM 0 HD22 LEU B 73 0.571 9.280 -4.922 1.00 0.15 H new ATOM 0 HD23 LEU B 73 0.068 9.665 -3.259 1.00 0.15 H new ATOM 2573 N LYS B 74 3.329 11.243 -0.660 1.00 0.11 N ATOM 2574 CA LYS B 74 2.933 12.152 0.410 1.00 0.10 C ATOM 2575 C LYS B 74 4.131 12.968 0.893 1.00 0.13 C ATOM 2576 O LYS B 74 3.973 14.013 1.524 1.00 0.13 O ATOM 2577 CB LYS B 74 2.297 11.385 1.577 1.00 0.12 C ATOM 2578 CG LYS B 74 3.283 10.548 2.380 1.00 0.20 C ATOM 2579 CD LYS B 74 2.601 9.827 3.532 1.00 0.28 C ATOM 2580 CE LYS B 74 2.399 10.737 4.733 1.00 0.32 C ATOM 2581 NZ LYS B 74 3.685 11.094 5.388 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.357 10.258 -0.396 1.00 0.11 H new ATOM 0 HA LYS B 74 2.186 12.838 0.010 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.813 12.097 2.245 1.00 0.12 H new ATOM 0 HB3 LYS B 74 1.516 10.732 1.187 1.00 0.12 H new ATOM 0 HG2 LYS B 74 3.759 9.818 1.725 1.00 0.20 H new ATOM 0 HG3 LYS B 74 4.073 11.190 2.769 1.00 0.20 H new ATOM 0 HD2 LYS B 74 1.636 9.445 3.200 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.200 8.966 3.826 1.00 0.28 H new ATOM 0 HE2 LYS B 74 1.890 11.647 4.416 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.749 10.243 5.456 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 3.498 11.462 6.343 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 4.287 10.249 5.455 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 4.171 11.822 4.826 1.00 0.43 H new ATOM 2595 N GLU B 75 5.324 12.483 0.578 1.00 0.17 N ATOM 2596 CA GLU B 75 6.557 13.153 0.961 1.00 0.20 C ATOM 2597 C GLU B 75 6.688 14.493 0.237 1.00 0.16 C ATOM 2598 O GLU B 75 7.055 15.499 0.842 1.00 0.20 O ATOM 2599 CB GLU B 75 7.753 12.246 0.653 1.00 0.27 C ATOM 2600 CG GLU B 75 9.092 12.803 1.111 1.00 0.36 C ATOM 2601 CD GLU B 75 9.102 13.213 2.570 1.00 0.45 C ATOM 2602 OE1 GLU B 75 8.572 12.461 3.415 1.00 0.55 O ATOM 2603 OE2 GLU B 75 9.663 14.285 2.880 1.00 0.44 O1- ATOM 0 H GLU B 75 5.463 11.620 0.053 1.00 0.17 H new ATOM 0 HA GLU B 75 6.536 13.354 2.032 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.593 11.278 1.129 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.794 12.070 -0.422 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.865 12.053 0.946 1.00 0.36 H new ATOM 0 HG3 GLU B 75 9.348 13.666 0.496 1.00 0.36 H new ATOM 2610 N GLU B 76 6.365 14.509 -1.051 1.00 0.13 N ATOM 2611 CA GLU B 76 6.451 15.742 -1.824 1.00 0.11 C ATOM 2612 C GLU B 76 5.314 16.685 -1.441 1.00 0.08 C ATOM 2613 O GLU B 76 5.444 17.904 -1.551 1.00 0.08 O ATOM 2614 CB GLU B 76 6.441 15.458 -3.331 1.00 0.17 C ATOM 2615 CG GLU B 76 5.099 14.997 -3.881 1.00 0.18 C ATOM 2616 CD GLU B 76 5.117 14.856 -5.387 1.00 0.21 C ATOM 2617 OE1 GLU B 76 5.610 13.824 -5.888 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 4.651 15.786 -6.081 1.00 0.20 O ATOM 0 H GLU B 76 6.046 13.695 -1.576 1.00 0.13 H new ATOM 0 HA GLU B 76 7.399 16.225 -1.588 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.744 16.362 -3.860 1.00 0.17 H new ATOM 0 HB3 GLU B 76 7.189 14.696 -3.549 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.833 14.040 -3.431 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.326 15.710 -3.594 1.00 0.18 H new ATOM 2625 N TYR B 77 4.210 16.107 -0.974 1.00 0.07 N ATOM 2626 CA TYR B 77 3.047 16.877 -0.546 1.00 0.11 C ATOM 2627 C TYR B 77 3.428 17.820 0.592 1.00 0.13 C ATOM 2628 O TYR B 77 3.217 19.029 0.505 1.00 0.22 O ATOM 2629 CB TYR B 77 1.915 15.913 -0.133 1.00 0.13 C ATOM 2630 CG TYR B 77 0.920 16.446 0.888 1.00 0.15 C ATOM 2631 CD1 TYR B 77 0.368 17.718 0.780 1.00 0.12 C ATOM 2632 CD2 TYR B 77 0.520 15.654 1.960 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -0.542 18.187 1.710 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -0.391 16.115 2.891 1.00 0.25 C ATOM 2635 CZ TYR B 77 -0.920 17.380 2.761 1.00 0.20 C ATOM 2636 OH TYR B 77 -1.822 17.841 3.694 1.00 0.23 O ATOM 0 H TYR B 77 4.097 15.097 -0.882 1.00 0.07 H new ATOM 0 HA TYR B 77 2.688 17.491 -1.372 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.366 15.625 -1.029 1.00 0.13 H new ATOM 0 HB3 TYR B 77 2.367 15.006 0.269 1.00 0.13 H new ATOM 0 HD1 TYR B 77 0.655 18.352 -0.046 1.00 0.12 H new ATOM 0 HD2 TYR B 77 0.929 14.660 2.066 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -0.954 19.181 1.613 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -0.687 15.486 3.717 1.00 0.25 H new ATOM 0 HH TYR B 77 -1.980 17.147 4.367 1.00 0.23 H new ATOM 2646 N GLN B 78 4.014 17.269 1.645 1.00 0.22 N ATOM 2647 CA GLN B 78 4.424 18.077 2.789 1.00 0.30 C ATOM 2648 C GLN B 78 5.645 18.927 2.447 1.00 0.37 C ATOM 2649 O GLN B 78 5.938 19.911 3.123 1.00 0.84 O ATOM 2650 CB GLN B 78 4.719 17.192 4.006 1.00 0.28 C ATOM 2651 CG GLN B 78 5.850 16.198 3.798 1.00 0.17 C ATOM 2652 CD GLN B 78 6.230 15.485 5.077 1.00 0.26 C ATOM 2653 OE1 GLN B 78 5.617 14.485 5.447 1.00 0.53 O ATOM 2654 NE2 GLN B 78 7.241 15.994 5.759 1.00 0.24 N ATOM 0 H GLN B 78 4.216 16.273 1.733 1.00 0.22 H new ATOM 0 HA GLN B 78 3.598 18.743 3.038 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.964 17.831 4.854 1.00 0.28 H new ATOM 0 HB3 GLN B 78 3.814 16.645 4.270 1.00 0.28 H new ATOM 0 HG2 GLN B 78 5.552 15.463 3.050 1.00 0.17 H new ATOM 0 HG3 GLN B 78 6.721 16.720 3.403 1.00 0.17 H new ATOM 0 HE21 GLN B 78 7.721 16.825 5.415 1.00 0.24 H new ATOM 0 HE22 GLN B 78 7.541 15.555 6.630 1.00 0.24 H new ATOM 2663 N ARG B 79 6.344 18.547 1.385 1.00 0.28 N ATOM 2664 CA ARG B 79 7.533 19.266 0.954 1.00 0.30 C ATOM 2665 C ARG B 79 7.157 20.577 0.264 1.00 0.27 C ATOM 2666 O ARG B 79 7.610 21.649 0.666 1.00 0.23 O ATOM 2667 CB ARG B 79 8.367 18.390 0.020 1.00 0.34 C ATOM 2668 CG ARG B 79 9.857 18.684 0.071 1.00 0.63 C ATOM 2669 CD ARG B 79 10.641 17.714 -0.801 1.00 0.85 C ATOM 2670 NE ARG B 79 10.381 17.930 -2.225 1.00 1.45 N ATOM 2671 CZ ARG B 79 10.586 17.012 -3.170 1.00 1.28 C ATOM 2672 NH1 ARG B 79 11.000 15.794 -2.843 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 10.355 17.305 -4.443 1.00 2.05 N ATOM 0 H ARG B 79 6.106 17.742 0.806 1.00 0.28 H new ATOM 0 HA ARG B 79 8.128 19.507 1.835 1.00 0.30 H new ATOM 0 HB2 ARG B 79 8.204 17.343 0.277 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.014 18.526 -1.002 1.00 0.34 H new ATOM 0 HG2 ARG B 79 10.040 19.706 -0.262 1.00 0.63 H new ATOM 0 HG3 ARG B 79 10.208 18.617 1.101 1.00 0.63 H new ATOM 0 HD2 ARG B 79 11.707 17.829 -0.605 1.00 0.85 H new ATOM 0 HD3 ARG B 79 10.377 16.691 -0.535 1.00 0.85 H new ATOM 0 HE ARG B 79 10.020 18.840 -2.513 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.163 15.556 -1.865 1.00 0.73 H new ATOM 0 HH12 ARG B 79 11.155 15.096 -3.570 1.00 0.73 H new ATOM 0 HH21 ARG B 79 10.020 18.234 -4.700 1.00 2.05 H new ATOM 0 HH22 ARG B 79 10.512 16.602 -5.165 1.00 2.05 H new ATOM 2687 N LEU B 80 6.308 20.496 -0.760 1.00 0.30 N ATOM 2688 CA LEU B 80 5.889 21.686 -1.497 1.00 0.28 C ATOM 2689 C LEU B 80 5.104 22.628 -0.592 1.00 0.23 C ATOM 2690 O LEU B 80 5.185 23.848 -0.728 1.00 0.28 O ATOM 2691 CB LEU B 80 5.060 21.306 -2.732 1.00 0.31 C ATOM 2692 CG LEU B 80 3.659 20.736 -2.451 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.586 21.797 -2.657 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.380 19.531 -3.337 1.00 0.44 C ATOM 0 H LEU B 80 5.899 19.624 -1.096 1.00 0.30 H new ATOM 0 HA LEU B 80 6.785 22.204 -1.840 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.952 22.191 -3.360 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.621 20.572 -3.310 1.00 0.31 H new ATOM 0 HG LEU B 80 3.633 20.417 -1.409 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.605 21.367 -2.452 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.765 22.632 -1.980 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.618 22.152 -3.687 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.384 19.144 -3.122 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.435 19.829 -4.384 1.00 0.44 H new ATOM 0 HD23 LEU B 80 4.121 18.756 -3.141 1.00 0.44 H new ATOM 2706 N ARG B 81 4.353 22.054 0.341 1.00 0.20 N ATOM 2707 CA ARG B 81 3.560 22.844 1.271 1.00 0.15 C ATOM 2708 C ARG B 81 4.466 23.619 2.222 1.00 0.15 C ATOM 2709 O ARG B 81 4.138 24.729 2.639 1.00 0.43 O ATOM 2710 CB ARG B 81 2.614 21.939 2.066 1.00 0.22 C ATOM 2711 CG ARG B 81 1.422 21.452 1.260 1.00 0.32 C ATOM 2712 CD ARG B 81 0.199 22.321 1.493 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.249 22.268 2.882 1.00 1.05 N ATOM 2714 CZ ARG B 81 -0.862 23.267 3.513 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -1.117 24.403 2.874 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -1.217 23.125 4.784 1.00 2.12 N ATOM 0 H ARG B 81 4.278 21.045 0.472 1.00 0.20 H new ATOM 0 HA ARG B 81 2.966 23.556 0.698 1.00 0.15 H new ATOM 0 HB2 ARG B 81 3.171 21.077 2.433 1.00 0.22 H new ATOM 0 HB3 ARG B 81 2.254 22.481 2.940 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.674 21.453 0.199 1.00 0.32 H new ATOM 0 HG3 ARG B 81 1.194 20.421 1.532 1.00 0.32 H new ATOM 0 HD2 ARG B 81 0.430 23.352 1.225 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -0.609 21.994 0.838 1.00 0.65 H new ATOM 0 HE ARG B 81 -0.081 21.408 3.404 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -0.843 24.511 1.897 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -1.587 25.167 3.360 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -1.020 22.252 5.274 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -1.687 23.888 5.271 1.00 2.12 H new ATOM 2730 N GLU B 82 5.616 23.039 2.538 1.00 0.39 N ATOM 2731 CA GLU B 82 6.564 23.675 3.439 1.00 0.44 C ATOM 2732 C GLU B 82 7.369 24.735 2.690 1.00 0.34 C ATOM 2733 O GLU B 82 7.764 25.750 3.263 1.00 0.27 O ATOM 2734 CB GLU B 82 7.476 22.619 4.084 1.00 0.69 C ATOM 2735 CG GLU B 82 8.909 22.596 3.564 1.00 0.48 C ATOM 2736 CD GLU B 82 9.885 23.249 4.521 1.00 0.92 C ATOM 2737 OE1 GLU B 82 9.437 23.901 5.487 1.00 1.70 O1- ATOM 2738 OE2 GLU B 82 11.110 23.113 4.313 1.00 1.27 O ATOM 0 H GLU B 82 5.914 22.130 2.184 1.00 0.39 H new ATOM 0 HA GLU B 82 6.020 24.175 4.241 1.00 0.44 H new ATOM 0 HB2 GLU B 82 7.499 22.790 5.160 1.00 0.69 H new ATOM 0 HB3 GLU B 82 7.034 21.635 3.928 1.00 0.69 H new ATOM 0 HG2 GLU B 82 9.212 21.564 3.390 1.00 0.48 H new ATOM 0 HG3 GLU B 82 8.951 23.107 2.602 1.00 0.48 H new ATOM 2745 N GLN B 83 7.569 24.507 1.400 1.00 0.35 N ATOM 2746 CA GLN B 83 8.321 25.438 0.562 1.00 0.31 C ATOM 2747 C GLN B 83 7.527 26.721 0.333 1.00 0.28 C ATOM 2748 O GLN B 83 8.073 27.745 -0.087 1.00 0.30 O ATOM 2749 CB GLN B 83 8.671 24.794 -0.785 1.00 0.36 C ATOM 2750 CG GLN B 83 10.084 25.094 -1.253 1.00 0.39 C ATOM 2751 CD GLN B 83 10.426 24.381 -2.542 1.00 0.29 C ATOM 2752 OE1 GLN B 83 9.558 24.125 -3.373 1.00 0.45 O ATOM 2753 NE2 GLN B 83 11.695 24.055 -2.722 1.00 0.89 N ATOM 0 H GLN B 83 7.221 23.684 0.907 1.00 0.35 H new ATOM 0 HA GLN B 83 9.246 25.686 1.083 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.545 23.714 -0.706 1.00 0.36 H new ATOM 0 HB3 GLN B 83 7.966 25.143 -1.539 1.00 0.36 H new ATOM 0 HG2 GLN B 83 10.197 26.169 -1.394 1.00 0.39 H new ATOM 0 HG3 GLN B 83 10.791 24.798 -0.478 1.00 0.39 H new ATOM 0 HE21 GLN B 83 12.387 24.285 -2.008 1.00 0.89 H new ATOM 0 HE22 GLN B 83 11.982 23.574 -3.574 1.00 0.89 H new ATOM 2762 N LEU B 84 6.232 26.661 0.614 1.00 0.27 N ATOM 2763 CA LEU B 84 5.359 27.817 0.446 1.00 0.26 C ATOM 2764 C LEU B 84 5.373 28.704 1.686 1.00 0.19 C ATOM 2765 O LEU B 84 4.906 29.843 1.649 1.00 0.26 O ATOM 2766 CB LEU B 84 3.922 27.376 0.138 1.00 0.39 C ATOM 2767 CG LEU B 84 3.459 27.583 -1.313 1.00 0.50 C ATOM 2768 CD1 LEU B 84 3.469 29.062 -1.685 1.00 0.62 C ATOM 2769 CD2 LEU B 84 4.337 26.791 -2.278 1.00 1.24 C ATOM 0 H LEU B 84 5.762 25.824 0.959 1.00 0.27 H new ATOM 0 HA LEU B 84 5.740 28.394 -0.397 1.00 0.26 H new ATOM 0 HB2 LEU B 84 3.825 26.318 0.384 1.00 0.39 H new ATOM 0 HB3 LEU B 84 3.245 27.920 0.797 1.00 0.39 H new ATOM 0 HG LEU B 84 2.435 27.217 -1.392 1.00 0.50 H new ATOM 0 HD11 LEU B 84 3.137 29.180 -2.717 1.00 0.62 H new ATOM 0 HD12 LEU B 84 2.797 29.608 -1.023 1.00 0.62 H new ATOM 0 HD13 LEU B 84 4.480 29.456 -1.582 1.00 0.62 H new ATOM 0 HD21 LEU B 84 3.992 26.952 -3.299 1.00 1.24 H new ATOM 0 HD22 LEU B 84 5.371 27.125 -2.187 1.00 1.24 H new ATOM 0 HD23 LEU B 84 4.276 25.730 -2.037 1.00 1.24 H new ATOM 2781 N LYS B 85 5.899 28.185 2.790 1.00 0.35 N ATOM 2782 CA LYS B 85 5.958 28.960 4.024 1.00 0.59 C ATOM 2783 C LYS B 85 7.383 29.426 4.307 1.00 0.72 C ATOM 2784 O LYS B 85 7.600 30.337 5.109 1.00 0.98 O ATOM 2785 CB LYS B 85 5.401 28.159 5.211 1.00 0.69 C ATOM 2786 CG LYS B 85 6.233 26.947 5.604 1.00 0.66 C ATOM 2787 CD LYS B 85 5.630 26.203 6.787 1.00 0.84 C ATOM 2788 CE LYS B 85 6.287 24.846 7.005 1.00 1.01 C ATOM 2789 NZ LYS B 85 7.746 24.958 7.275 1.00 1.80 N1+ ATOM 0 H LYS B 85 6.286 27.244 2.857 1.00 0.35 H new ATOM 0 HA LYS B 85 5.331 29.842 3.892 1.00 0.59 H new ATOM 0 HB2 LYS B 85 5.319 28.821 6.073 1.00 0.69 H new ATOM 0 HB3 LYS B 85 4.392 27.827 4.967 1.00 0.69 H new ATOM 0 HG2 LYS B 85 6.314 26.271 4.753 1.00 0.66 H new ATOM 0 HG3 LYS B 85 7.245 27.267 5.854 1.00 0.66 H new ATOM 0 HD2 LYS B 85 5.738 26.807 7.688 1.00 0.84 H new ATOM 0 HD3 LYS B 85 4.561 26.066 6.622 1.00 0.84 H new ATOM 0 HE2 LYS B 85 5.803 24.342 7.841 1.00 1.01 H new ATOM 0 HE3 LYS B 85 6.130 24.224 6.124 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 8.012 24.291 8.027 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 8.277 24.733 6.410 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 7.970 25.928 7.577 1.00 1.80 H new ATOM 2803 N LYS B 86 8.351 28.795 3.651 1.00 0.59 N ATOM 2804 CA LYS B 86 9.754 29.154 3.812 1.00 0.82 C ATOM 2805 C LYS B 86 10.567 28.643 2.628 1.00 0.82 C ATOM 2806 O LYS B 86 10.521 27.427 2.345 1.00 1.02 O ATOM 2807 CB LYS B 86 10.328 28.607 5.127 1.00 1.00 C ATOM 2808 CG LYS B 86 10.134 27.112 5.319 1.00 1.09 C ATOM 2809 CD LYS B 86 11.387 26.445 5.863 1.00 1.23 C ATOM 2810 CE LYS B 86 12.478 26.335 4.804 1.00 1.10 C ATOM 2811 NZ LYS B 86 12.024 25.571 3.611 1.00 0.86 N1+ ATOM 0 H LYS B 86 8.187 28.028 2.999 1.00 0.59 H new ATOM 0 HA LYS B 86 9.819 30.241 3.848 1.00 0.82 H new ATOM 0 HB2 LYS B 86 11.394 28.831 5.166 1.00 1.00 H new ATOM 0 HB3 LYS B 86 9.861 29.132 5.960 1.00 1.00 H new ATOM 0 HG2 LYS B 86 9.304 26.938 6.003 1.00 1.09 H new ATOM 0 HG3 LYS B 86 9.863 26.655 4.367 1.00 1.09 H new ATOM 0 HD2 LYS B 86 11.762 27.015 6.713 1.00 1.23 H new ATOM 0 HD3 LYS B 86 11.138 25.450 6.232 1.00 1.23 H new ATOM 0 HE2 LYS B 86 12.788 27.334 4.498 1.00 1.10 H new ATOM 0 HE3 LYS B 86 13.353 25.848 5.235 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 12.812 25.477 2.939 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 11.705 24.626 3.905 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 11.238 26.076 3.154 1.00 0.86 H new TER 2825 LYS B 86