USER MOD reduce.3.24.130724 H: found=0, std=0, add=1434, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 TYR OH : rot 23:sc= 0.127 USER MOD Set 1.2: B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 LYS NZ :NH3+ -143:sc= 1.15 (180deg=0.00521) USER MOD Set 2.2: B 70 TYR OH : rot 84:sc= 1.49 USER MOD Set 3.1: B 65 GLN : amide:sc= -0.299 X(o=0.9,f=1.1) USER MOD Set 3.2: B 68 SER OG : rot 95:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.09) USER MOD Single : A 4 MET CE :methyl 157:sc= -0.188 (180deg=-0.749) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.05 K(o=-1,f=-0.13) USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= -0.326 (180deg=-1.15) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 44:sc= 0.0904 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.05) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 160:sc= -0.37 USER MOD Single : A 31 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.62) USER MOD Single : A 43 MET CE :methyl 169:sc= -0.387 (180deg=-0.504) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -103:sc= 1.23 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0699 K(o=-0.07,f=-1.3!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 0.632 (180deg=0.532) USER MOD Single : A 62 THR OG1 : rot 25:sc= 0.755 USER MOD Single : A 65 GLN : amide:sc= -0.638 K(o=-0.64,f=-2.3!) USER MOD Single : A 68 SER OG : rot -90:sc= 1.26 USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= 1.18 (180deg=0.299) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 85 LYS NZ :NH3+ -143:sc= 1.1 (180deg=-1.28) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= -0.0146 (180deg=-0.161) USER MOD Single : B 1 GLY N :NH3+ 141:sc= 0.0055 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.106 USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : B 4 MET CE :methyl 158:sc= -0.0799 (180deg=-0.561) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= -0.793 K(o=-0.79,f=0) USER MOD Single : B 9 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0752) USER MOD Single : B 10 THR OG1 : rot 180:sc=-0.000998 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : B 21 TYR OH : rot 180:sc= -0.202 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 180:sc= 0.016 USER MOD Single : B 31 HIS : no HD1:sc= 0.705 K(o=0.7,f=-3.2!) USER MOD Single : B 42 LYS NZ :NH3+ -98:sc= 1.27 (180deg=-1.86) USER MOD Single : B 43 MET CE :methyl 165:sc= -0.304 (180deg=-0.51) USER MOD Single : B 44 HIS : no HD1:sc= -0.405 X(o=-0.41,f=-0.16) USER MOD Single : B 47 SER OG : rot -86:sc= 0.614 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.864 K(o=-0.86,f=-2.1!) USER MOD Single : B 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.16) USER MOD Single : B 62 THR OG1 : rot 170:sc= 0.0183 USER MOD Single : B 72 LYS NZ :NH3+ -154:sc= 1.07 (180deg=0.871) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 83 GLN : amide:sc= -0.746 K(o=-0.75,f=-2) USER MOD Single : B 85 LYS NZ :NH3+ 143:sc= -0.365 (180deg=-2.07!) USER MOD Single : B 86 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0625) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.209 -4.388 -5.691 1.00 0.23 N ATOM 2 CA GLY A 1 38.865 -3.207 -6.519 1.00 0.52 C ATOM 3 C GLY A 1 37.761 -2.385 -5.888 1.00 0.32 C ATOM 4 O GLY A 1 36.761 -2.934 -5.424 1.00 0.19 O ATOM 0 H1 GLY A 1 39.968 -4.927 -6.154 1.00 0.23 H new ATOM 0 H2 GLY A 1 39.530 -4.073 -4.753 1.00 0.23 H new ATOM 0 H3 GLY A 1 38.370 -4.993 -5.584 1.00 0.23 H new ATOM 0 HA2 GLY A 1 39.751 -2.586 -6.653 1.00 0.52 H new ATOM 0 HA3 GLY A 1 38.553 -3.536 -7.510 1.00 0.52 H new ATOM 10 N SER A 2 37.931 -1.073 -5.871 1.00 0.42 N ATOM 11 CA SER A 2 36.940 -0.191 -5.275 1.00 0.34 C ATOM 12 C SER A 2 35.961 0.328 -6.327 1.00 0.28 C ATOM 13 O SER A 2 36.196 0.205 -7.531 1.00 0.53 O ATOM 14 CB SER A 2 37.640 0.973 -4.576 1.00 0.58 C ATOM 15 OG SER A 2 38.577 0.505 -3.617 1.00 0.54 O ATOM 0 H SER A 2 38.743 -0.596 -6.262 1.00 0.42 H new ATOM 0 HA SER A 2 36.368 -0.759 -4.541 1.00 0.34 H new ATOM 0 HB2 SER A 2 38.149 1.592 -5.315 1.00 0.58 H new ATOM 0 HB3 SER A 2 36.899 1.606 -4.087 1.00 0.58 H new ATOM 0 HG SER A 2 39.012 1.269 -3.185 1.00 0.54 H new ATOM 21 N HIS A 3 34.853 0.889 -5.867 1.00 0.18 N ATOM 22 CA HIS A 3 33.845 1.431 -6.762 1.00 0.13 C ATOM 23 C HIS A 3 33.395 2.802 -6.279 1.00 0.16 C ATOM 24 O HIS A 3 32.737 2.920 -5.246 1.00 0.31 O ATOM 25 CB HIS A 3 32.643 0.493 -6.863 1.00 0.26 C ATOM 26 CG HIS A 3 32.612 -0.308 -8.132 1.00 0.54 C ATOM 27 ND1 HIS A 3 32.146 -1.601 -8.196 1.00 1.06 N ATOM 28 CD2 HIS A 3 32.993 0.012 -9.394 1.00 1.49 C ATOM 29 CE1 HIS A 3 32.239 -2.041 -9.437 1.00 1.02 C ATOM 30 NE2 HIS A 3 32.750 -1.082 -10.184 1.00 1.41 N ATOM 0 H HIS A 3 34.630 0.980 -4.876 1.00 0.18 H new ATOM 0 HA HIS A 3 34.289 1.529 -7.753 1.00 0.13 H new ATOM 0 HB2 HIS A 3 32.652 -0.189 -6.013 1.00 0.26 H new ATOM 0 HB3 HIS A 3 31.727 1.080 -6.791 1.00 0.26 H new ATOM 0 HD2 HIS A 3 33.411 0.954 -9.717 1.00 1.49 H new ATOM 0 HE1 HIS A 3 31.946 -3.021 -9.782 1.00 1.02 H new ATOM 0 HE2 HIS A 3 32.934 -1.144 -11.185 1.00 1.41 H new ATOM 39 N MET A 4 33.765 3.834 -7.022 1.00 0.20 N ATOM 40 CA MET A 4 33.401 5.203 -6.676 1.00 0.25 C ATOM 41 C MET A 4 32.434 5.763 -7.708 1.00 0.20 C ATOM 42 O MET A 4 32.839 6.147 -8.803 1.00 0.30 O ATOM 43 CB MET A 4 34.643 6.096 -6.589 1.00 0.37 C ATOM 44 CG MET A 4 35.441 5.939 -5.300 1.00 0.43 C ATOM 45 SD MET A 4 36.296 4.354 -5.185 1.00 0.28 S ATOM 46 CE MET A 4 37.443 4.482 -6.556 1.00 0.33 C ATOM 0 H MET A 4 34.320 3.750 -7.873 1.00 0.20 H new ATOM 0 HA MET A 4 32.918 5.189 -5.699 1.00 0.25 H new ATOM 0 HB2 MET A 4 35.294 5.875 -7.435 1.00 0.37 H new ATOM 0 HB3 MET A 4 34.335 7.137 -6.687 1.00 0.37 H new ATOM 0 HG2 MET A 4 36.172 6.745 -5.232 1.00 0.43 H new ATOM 0 HG3 MET A 4 34.769 6.045 -4.448 1.00 0.43 H new ATOM 0 HE1 MET A 4 38.287 3.813 -6.388 1.00 0.33 H new ATOM 0 HE2 MET A 4 36.938 4.203 -7.481 1.00 0.33 H new ATOM 0 HE3 MET A 4 37.803 5.508 -6.635 1.00 0.33 H new ATOM 56 N THR A 5 31.159 5.790 -7.365 1.00 0.32 N ATOM 57 CA THR A 5 30.135 6.291 -8.266 1.00 0.34 C ATOM 58 C THR A 5 29.053 7.028 -7.490 1.00 0.34 C ATOM 59 O THR A 5 29.221 7.316 -6.305 1.00 0.37 O ATOM 60 CB THR A 5 29.496 5.137 -9.061 1.00 0.36 C ATOM 61 OG1 THR A 5 30.004 3.876 -8.599 1.00 0.33 O ATOM 62 CG2 THR A 5 29.770 5.292 -10.548 1.00 0.54 C ATOM 0 H THR A 5 30.806 5.469 -6.464 1.00 0.32 H new ATOM 0 HA THR A 5 30.612 6.982 -8.961 1.00 0.34 H new ATOM 0 HB THR A 5 28.418 5.168 -8.902 1.00 0.36 H new ATOM 0 HG1 THR A 5 29.590 3.149 -9.110 1.00 0.33 H new ATOM 0 HG21 THR A 5 29.310 4.466 -11.091 1.00 0.54 H new ATOM 0 HG22 THR A 5 29.351 6.235 -10.899 1.00 0.54 H new ATOM 0 HG23 THR A 5 30.846 5.286 -10.722 1.00 0.54 H new ATOM 70 N GLU A 6 27.950 7.333 -8.159 1.00 0.35 N ATOM 71 CA GLU A 6 26.838 8.021 -7.523 1.00 0.39 C ATOM 72 C GLU A 6 25.944 7.013 -6.812 1.00 0.32 C ATOM 73 O GLU A 6 26.269 5.826 -6.747 1.00 0.30 O ATOM 74 CB GLU A 6 26.028 8.802 -8.562 1.00 0.52 C ATOM 75 CG GLU A 6 25.352 7.922 -9.607 1.00 0.53 C ATOM 76 CD GLU A 6 24.611 8.722 -10.657 1.00 1.16 C ATOM 77 OE1 GLU A 6 25.262 9.209 -11.604 1.00 1.31 O1- ATOM 78 OE2 GLU A 6 23.374 8.868 -10.543 1.00 1.64 O ATOM 0 H GLU A 6 27.802 7.114 -9.144 1.00 0.35 H new ATOM 0 HA GLU A 6 27.234 8.725 -6.791 1.00 0.39 H new ATOM 0 HB2 GLU A 6 25.267 9.389 -8.048 1.00 0.52 H new ATOM 0 HB3 GLU A 6 26.688 9.507 -9.067 1.00 0.52 H new ATOM 0 HG2 GLU A 6 26.104 7.301 -10.094 1.00 0.53 H new ATOM 0 HG3 GLU A 6 24.654 7.248 -9.111 1.00 0.53 H new ATOM 85 N GLN A 7 24.825 7.479 -6.277 1.00 0.30 N ATOM 86 CA GLN A 7 23.894 6.596 -5.592 1.00 0.25 C ATOM 87 C GLN A 7 22.594 6.480 -6.380 1.00 0.23 C ATOM 88 O GLN A 7 21.693 7.304 -6.236 1.00 0.29 O ATOM 89 CB GLN A 7 23.616 7.104 -4.174 1.00 0.29 C ATOM 90 CG GLN A 7 23.696 6.015 -3.111 1.00 0.42 C ATOM 91 CD GLN A 7 25.096 5.444 -2.950 1.00 1.19 C ATOM 92 OE1 GLN A 7 25.267 4.260 -2.654 1.00 1.46 O ATOM 93 NE2 GLN A 7 26.111 6.283 -3.123 1.00 1.77 N ATOM 0 H GLN A 7 24.541 8.458 -6.304 1.00 0.30 H new ATOM 0 HA GLN A 7 24.346 5.607 -5.521 1.00 0.25 H new ATOM 0 HB2 GLN A 7 24.331 7.890 -3.932 1.00 0.29 H new ATOM 0 HB3 GLN A 7 22.624 7.555 -4.146 1.00 0.29 H new ATOM 0 HG2 GLN A 7 23.363 6.422 -2.156 1.00 0.42 H new ATOM 0 HG3 GLN A 7 23.009 5.210 -3.371 1.00 0.42 H new ATOM 0 HE21 GLN A 7 25.932 7.257 -3.368 1.00 1.77 H new ATOM 0 HE22 GLN A 7 27.070 5.953 -3.011 1.00 1.77 H new ATOM 102 N PRO A 8 22.497 5.463 -7.246 1.00 0.18 N ATOM 103 CA PRO A 8 21.311 5.231 -8.063 1.00 0.17 C ATOM 104 C PRO A 8 20.245 4.447 -7.297 1.00 0.19 C ATOM 105 O PRO A 8 20.389 4.210 -6.095 1.00 0.25 O ATOM 106 CB PRO A 8 21.870 4.410 -9.224 1.00 0.18 C ATOM 107 CG PRO A 8 22.978 3.616 -8.621 1.00 0.20 C ATOM 108 CD PRO A 8 23.542 4.450 -7.498 1.00 0.18 C ATOM 0 HA PRO A 8 20.814 6.150 -8.374 1.00 0.17 H new ATOM 0 HB2 PRO A 8 21.107 3.762 -9.656 1.00 0.18 H new ATOM 0 HB3 PRO A 8 22.233 5.053 -10.026 1.00 0.18 H new ATOM 0 HG2 PRO A 8 22.611 2.660 -8.247 1.00 0.20 H new ATOM 0 HG3 PRO A 8 23.745 3.395 -9.363 1.00 0.20 H new ATOM 0 HD2 PRO A 8 23.735 3.847 -6.611 1.00 0.18 H new ATOM 0 HD3 PRO A 8 24.487 4.913 -7.781 1.00 0.18 H new ATOM 116 N LYS A 9 19.177 4.056 -7.982 1.00 0.17 N ATOM 117 CA LYS A 9 18.114 3.291 -7.351 1.00 0.20 C ATOM 118 C LYS A 9 18.615 1.908 -6.964 1.00 0.23 C ATOM 119 O LYS A 9 18.666 0.995 -7.791 1.00 0.30 O ATOM 120 CB LYS A 9 16.899 3.181 -8.271 1.00 0.14 C ATOM 121 CG LYS A 9 15.950 4.362 -8.154 1.00 0.33 C ATOM 122 CD LYS A 9 14.903 4.358 -9.251 1.00 0.76 C ATOM 123 CE LYS A 9 15.452 4.922 -10.551 1.00 1.45 C ATOM 124 NZ LYS A 9 16.086 6.256 -10.363 1.00 2.23 N1+ ATOM 0 H LYS A 9 19.026 4.256 -8.971 1.00 0.17 H new ATOM 0 HA LYS A 9 17.807 3.817 -6.447 1.00 0.20 H new ATOM 0 HB2 LYS A 9 17.239 3.098 -9.303 1.00 0.14 H new ATOM 0 HB3 LYS A 9 16.358 2.264 -8.039 1.00 0.14 H new ATOM 0 HG2 LYS A 9 15.457 4.337 -7.182 1.00 0.33 H new ATOM 0 HG3 LYS A 9 16.519 5.291 -8.199 1.00 0.33 H new ATOM 0 HD2 LYS A 9 14.552 3.339 -9.415 1.00 0.76 H new ATOM 0 HD3 LYS A 9 14.041 4.945 -8.934 1.00 0.76 H new ATOM 0 HE2 LYS A 9 16.184 4.229 -10.965 1.00 1.45 H new ATOM 0 HE3 LYS A 9 14.645 5.005 -11.279 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 16.077 6.775 -11.264 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 15.556 6.795 -9.648 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 17.068 6.132 -10.045 1.00 2.23 H new ATOM 138 N THR A 10 19.020 1.775 -5.713 1.00 0.30 N ATOM 139 CA THR A 10 19.521 0.518 -5.203 1.00 0.36 C ATOM 140 C THR A 10 18.400 -0.260 -4.516 1.00 0.30 C ATOM 141 O THR A 10 17.345 0.299 -4.187 1.00 0.27 O ATOM 142 CB THR A 10 20.704 0.745 -4.229 1.00 0.49 C ATOM 143 OG1 THR A 10 21.442 -0.471 -4.040 1.00 0.62 O ATOM 144 CG2 THR A 10 20.224 1.267 -2.881 1.00 0.60 C ATOM 0 H THR A 10 19.010 2.532 -5.029 1.00 0.30 H new ATOM 0 HA THR A 10 19.888 -0.069 -6.045 1.00 0.36 H new ATOM 0 HB THR A 10 21.355 1.496 -4.676 1.00 0.49 H new ATOM 0 HG1 THR A 10 22.186 -0.309 -3.424 1.00 0.62 H new ATOM 0 HG21 THR A 10 21.080 1.415 -2.222 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.706 2.216 -3.022 1.00 0.60 H new ATOM 0 HG23 THR A 10 19.542 0.544 -2.433 1.00 0.60 H new ATOM 152 N ARG A 11 18.623 -1.547 -4.315 1.00 0.30 N ATOM 153 CA ARG A 11 17.635 -2.393 -3.674 1.00 0.26 C ATOM 154 C ARG A 11 18.036 -2.679 -2.232 1.00 0.21 C ATOM 155 O ARG A 11 19.184 -3.030 -1.956 1.00 0.22 O ATOM 156 CB ARG A 11 17.465 -3.705 -4.442 1.00 0.32 C ATOM 157 CG ARG A 11 16.937 -3.527 -5.856 1.00 0.40 C ATOM 158 CD ARG A 11 16.757 -4.865 -6.550 1.00 0.55 C ATOM 159 NE ARG A 11 16.285 -4.709 -7.924 1.00 0.68 N ATOM 160 CZ ARG A 11 16.337 -5.673 -8.843 1.00 1.07 C ATOM 161 NH1 ARG A 11 16.837 -6.865 -8.535 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 15.888 -5.444 -10.073 1.00 1.17 N ATOM 0 H ARG A 11 19.480 -2.028 -4.587 1.00 0.30 H new ATOM 0 HA ARG A 11 16.682 -1.865 -3.677 1.00 0.26 H new ATOM 0 HB2 ARG A 11 18.427 -4.216 -4.485 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.784 -4.353 -3.889 1.00 0.32 H new ATOM 0 HG2 ARG A 11 15.984 -2.999 -5.827 1.00 0.40 H new ATOM 0 HG3 ARG A 11 17.627 -2.908 -6.429 1.00 0.40 H new ATOM 0 HD2 ARG A 11 17.705 -5.403 -6.551 1.00 0.55 H new ATOM 0 HD3 ARG A 11 16.046 -5.472 -5.989 1.00 0.55 H new ATOM 0 HE ARG A 11 15.892 -3.808 -8.196 1.00 0.68 H new ATOM 0 HH11 ARG A 11 17.183 -7.045 -7.592 1.00 1.36 H new ATOM 0 HH12 ARG A 11 16.875 -7.600 -9.241 1.00 1.36 H new ATOM 0 HH21 ARG A 11 15.504 -4.530 -10.314 1.00 1.17 H new ATOM 0 HH22 ARG A 11 15.928 -6.182 -10.776 1.00 1.17 H new ATOM 176 N VAL A 12 17.091 -2.527 -1.322 1.00 0.16 N ATOM 177 CA VAL A 12 17.341 -2.763 0.088 1.00 0.12 C ATOM 178 C VAL A 12 16.695 -4.073 0.532 1.00 0.14 C ATOM 179 O VAL A 12 15.615 -4.439 0.061 1.00 0.18 O ATOM 180 CB VAL A 12 16.816 -1.591 0.955 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.295 -1.520 0.929 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.329 -1.696 2.386 1.00 0.12 C ATOM 0 H VAL A 12 16.136 -2.239 -1.537 1.00 0.16 H new ATOM 0 HA VAL A 12 18.420 -2.833 0.228 1.00 0.12 H new ATOM 0 HB VAL A 12 17.200 -0.666 0.524 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.959 -0.687 1.547 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.955 -1.371 -0.096 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.881 -2.450 1.317 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.945 -0.861 2.972 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.991 -2.634 2.826 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.419 -1.668 2.385 1.00 0.12 H new ATOM 192 N SER A 13 17.373 -4.794 1.405 1.00 0.14 N ATOM 193 CA SER A 13 16.864 -6.051 1.911 1.00 0.17 C ATOM 194 C SER A 13 16.173 -5.832 3.253 1.00 0.12 C ATOM 195 O SER A 13 16.820 -5.463 4.236 1.00 0.15 O ATOM 196 CB SER A 13 18.014 -7.045 2.051 1.00 0.25 C ATOM 197 OG SER A 13 19.154 -6.410 2.608 1.00 0.56 O ATOM 0 H SER A 13 18.283 -4.527 1.779 1.00 0.14 H new ATOM 0 HA SER A 13 16.132 -6.456 1.213 1.00 0.17 H new ATOM 0 HB2 SER A 13 17.708 -7.877 2.685 1.00 0.25 H new ATOM 0 HB3 SER A 13 18.263 -7.462 1.075 1.00 0.25 H new ATOM 0 HG SER A 13 18.879 -5.843 3.358 1.00 0.56 H new ATOM 203 N VAL A 14 14.865 -6.038 3.291 1.00 0.06 N ATOM 204 CA VAL A 14 14.101 -5.848 4.519 1.00 0.08 C ATOM 205 C VAL A 14 13.347 -7.115 4.899 1.00 0.08 C ATOM 206 O VAL A 14 12.902 -7.868 4.031 1.00 0.12 O ATOM 207 CB VAL A 14 13.101 -4.675 4.419 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.833 -3.342 4.494 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.270 -4.761 3.144 1.00 0.09 C ATOM 0 H VAL A 14 14.310 -6.336 2.489 1.00 0.06 H new ATOM 0 HA VAL A 14 14.830 -5.609 5.293 1.00 0.08 H new ATOM 0 HB VAL A 14 12.418 -4.745 5.266 1.00 0.09 H new ATOM 0 HG11 VAL A 14 13.113 -2.527 4.422 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.366 -3.272 5.442 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.545 -3.271 3.672 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.576 -3.921 3.104 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.930 -4.728 2.277 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.709 -5.695 3.138 1.00 0.09 H new ATOM 219 N ARG A 15 13.215 -7.343 6.198 1.00 0.05 N ATOM 220 CA ARG A 15 12.527 -8.520 6.712 1.00 0.05 C ATOM 221 C ARG A 15 11.042 -8.238 6.928 1.00 0.04 C ATOM 222 O ARG A 15 10.681 -7.307 7.644 1.00 0.07 O ATOM 223 CB ARG A 15 13.164 -8.964 8.034 1.00 0.06 C ATOM 224 CG ARG A 15 12.417 -10.092 8.738 1.00 0.06 C ATOM 225 CD ARG A 15 12.314 -9.843 10.241 1.00 0.11 C ATOM 226 NE ARG A 15 11.633 -8.583 10.541 1.00 0.16 N ATOM 227 CZ ARG A 15 10.313 -8.465 10.692 1.00 0.20 C ATOM 228 NH1 ARG A 15 9.527 -9.532 10.618 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 9.782 -7.277 10.937 1.00 0.26 N ATOM 0 H ARG A 15 13.579 -6.723 6.921 1.00 0.05 H new ATOM 0 HA ARG A 15 12.623 -9.317 5.974 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.188 -9.285 7.842 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.220 -8.106 8.704 1.00 0.06 H new ATOM 0 HG2 ARG A 15 11.417 -10.187 8.315 1.00 0.06 H new ATOM 0 HG3 ARG A 15 12.930 -11.037 8.559 1.00 0.06 H new ATOM 0 HD2 ARG A 15 11.775 -10.667 10.709 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.314 -9.828 10.676 1.00 0.11 H new ATOM 0 HE ARG A 15 12.203 -7.743 10.641 1.00 0.16 H new ATOM 0 HH11 ARG A 15 9.931 -10.452 10.444 1.00 0.20 H new ATOM 0 HH12 ARG A 15 8.519 -9.432 10.735 1.00 0.20 H new ATOM 0 HH21 ARG A 15 10.382 -6.455 11.010 1.00 0.26 H new ATOM 0 HH22 ARG A 15 8.773 -7.183 11.053 1.00 0.26 H new ATOM 243 N ILE A 16 10.190 -9.045 6.306 1.00 0.03 N ATOM 244 CA ILE A 16 8.748 -8.895 6.443 1.00 0.04 C ATOM 245 C ILE A 16 8.111 -10.247 6.733 1.00 0.04 C ATOM 246 O ILE A 16 8.293 -11.196 5.968 1.00 0.04 O ATOM 247 CB ILE A 16 8.096 -8.309 5.172 1.00 0.05 C ATOM 248 CG1 ILE A 16 9.012 -7.274 4.516 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.748 -7.691 5.515 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.580 -6.873 3.124 1.00 0.07 C ATOM 0 H ILE A 16 10.476 -9.813 5.699 1.00 0.03 H new ATOM 0 HA ILE A 16 8.578 -8.202 7.267 1.00 0.04 H new ATOM 0 HB ILE A 16 7.940 -9.118 4.459 1.00 0.05 H new ATOM 0 HG12 ILE A 16 9.049 -6.385 5.145 1.00 0.08 H new ATOM 0 HG13 ILE A 16 10.024 -7.675 4.471 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.296 -7.280 4.612 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.093 -8.455 5.933 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.888 -6.894 6.245 1.00 0.06 H new ATOM 0 HD11 ILE A 16 9.278 -6.137 2.724 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.570 -7.751 2.479 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.580 -6.441 3.164 1.00 0.07 H new ATOM 262 N TYR A 17 7.410 -10.332 7.864 1.00 0.08 N ATOM 263 CA TYR A 17 6.713 -11.550 8.296 1.00 0.11 C ATOM 264 C TYR A 17 7.684 -12.664 8.700 1.00 0.19 C ATOM 265 O TYR A 17 7.277 -13.667 9.281 1.00 0.56 O ATOM 266 CB TYR A 17 5.758 -12.044 7.202 1.00 0.04 C ATOM 267 CG TYR A 17 4.592 -12.853 7.731 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.656 -12.276 8.581 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.423 -14.186 7.376 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.589 -13.007 9.063 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.358 -14.921 7.857 1.00 0.12 C ATOM 272 CZ TYR A 17 2.444 -14.326 8.698 1.00 0.20 C ATOM 273 OH TYR A 17 1.379 -15.055 9.177 1.00 0.25 O ATOM 0 H TYR A 17 7.307 -9.552 8.514 1.00 0.08 H new ATOM 0 HA TYR A 17 6.134 -11.288 9.182 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.373 -11.185 6.653 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.318 -12.652 6.491 1.00 0.04 H new ATOM 0 HD1 TYR A 17 3.765 -11.241 8.869 1.00 0.18 H new ATOM 0 HD2 TYR A 17 5.136 -14.654 6.714 1.00 0.08 H new ATOM 0 HE1 TYR A 17 1.870 -12.546 9.724 1.00 0.23 H new ATOM 0 HE2 TYR A 17 3.242 -15.957 7.575 1.00 0.12 H new ATOM 0 HH TYR A 17 1.422 -15.968 8.824 1.00 0.25 H new ATOM 283 N GLY A 18 8.964 -12.481 8.401 1.00 0.18 N ATOM 284 CA GLY A 18 9.952 -13.480 8.751 1.00 0.13 C ATOM 285 C GLY A 18 10.998 -13.661 7.674 1.00 0.05 C ATOM 286 O GLY A 18 12.122 -14.069 7.957 1.00 0.11 O ATOM 0 H GLY A 18 9.334 -11.659 7.923 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.440 -13.193 9.683 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.453 -14.432 8.932 1.00 0.13 H new ATOM 290 N GLN A 19 10.633 -13.364 6.438 1.00 0.05 N ATOM 291 CA GLN A 19 11.553 -13.501 5.319 1.00 0.10 C ATOM 292 C GLN A 19 12.001 -12.129 4.846 1.00 0.05 C ATOM 293 O GLN A 19 11.259 -11.154 4.970 1.00 0.08 O ATOM 294 CB GLN A 19 10.889 -14.269 4.173 1.00 0.19 C ATOM 295 CG GLN A 19 10.516 -15.700 4.532 1.00 0.14 C ATOM 296 CD GLN A 19 11.730 -16.578 4.755 1.00 0.49 C ATOM 297 OE1 GLN A 19 12.241 -17.197 3.823 1.00 0.68 O ATOM 298 NE2 GLN A 19 12.201 -16.639 5.990 1.00 0.67 N ATOM 0 H GLN A 19 9.705 -13.026 6.183 1.00 0.05 H new ATOM 0 HA GLN A 19 12.427 -14.063 5.649 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.991 -13.736 3.862 1.00 0.19 H new ATOM 0 HB3 GLN A 19 11.564 -14.282 3.317 1.00 0.19 H new ATOM 0 HG2 GLN A 19 9.903 -15.697 5.434 1.00 0.14 H new ATOM 0 HG3 GLN A 19 9.907 -16.124 3.734 1.00 0.14 H new ATOM 0 HE21 GLN A 19 11.748 -16.110 6.735 1.00 0.67 H new ATOM 0 HE22 GLN A 19 13.017 -17.215 6.197 1.00 0.67 H new ATOM 307 N ASP A 20 13.212 -12.046 4.319 1.00 0.12 N ATOM 308 CA ASP A 20 13.737 -10.779 3.837 1.00 0.10 C ATOM 309 C ASP A 20 13.672 -10.722 2.316 1.00 0.09 C ATOM 310 O ASP A 20 13.902 -11.722 1.633 1.00 0.10 O ATOM 311 CB ASP A 20 15.170 -10.545 4.347 1.00 0.17 C ATOM 312 CG ASP A 20 16.246 -10.989 3.375 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.423 -12.210 3.191 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.933 -10.116 2.801 1.00 0.55 O ATOM 0 H ASP A 20 13.847 -12.837 4.214 1.00 0.12 H new ATOM 0 HA ASP A 20 13.116 -9.975 4.232 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.301 -9.484 4.560 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.302 -11.078 5.289 1.00 0.17 H new ATOM 319 N TYR A 21 13.319 -9.559 1.797 1.00 0.07 N ATOM 320 CA TYR A 21 13.205 -9.361 0.359 1.00 0.07 C ATOM 321 C TYR A 21 13.988 -8.130 -0.069 1.00 0.07 C ATOM 322 O TYR A 21 14.218 -7.221 0.731 1.00 0.16 O ATOM 323 CB TYR A 21 11.737 -9.205 -0.046 1.00 0.05 C ATOM 324 CG TYR A 21 10.830 -10.262 0.534 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.743 -11.523 -0.039 1.00 0.15 C ATOM 326 CD2 TYR A 21 10.066 -9.997 1.662 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.918 -12.491 0.494 1.00 0.17 C ATOM 328 CE2 TYR A 21 9.239 -10.962 2.204 1.00 0.08 C ATOM 329 CZ TYR A 21 9.169 -12.207 1.616 1.00 0.12 C ATOM 330 OH TYR A 21 8.344 -13.171 2.152 1.00 0.15 O ATOM 0 H TYR A 21 13.105 -8.731 2.353 1.00 0.07 H new ATOM 0 HA TYR A 21 13.618 -10.238 -0.140 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.385 -8.223 0.271 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.665 -9.234 -1.133 1.00 0.05 H new ATOM 0 HD1 TYR A 21 11.331 -11.750 -0.916 1.00 0.15 H new ATOM 0 HD2 TYR A 21 10.119 -9.022 2.123 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.859 -13.467 0.035 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.651 -10.742 3.083 1.00 0.08 H new ATOM 0 HH TYR A 21 7.888 -12.810 2.940 1.00 0.15 H new ATOM 340 N THR A 22 14.402 -8.108 -1.324 1.00 0.19 N ATOM 341 CA THR A 22 15.153 -6.988 -1.862 1.00 0.20 C ATOM 342 C THR A 22 14.241 -6.091 -2.694 1.00 0.21 C ATOM 343 O THR A 22 13.884 -6.425 -3.825 1.00 0.38 O ATOM 344 CB THR A 22 16.328 -7.480 -2.724 1.00 0.25 C ATOM 345 OG1 THR A 22 16.549 -8.878 -2.489 1.00 0.19 O ATOM 346 CG2 THR A 22 17.598 -6.705 -2.404 1.00 0.32 C ATOM 0 H THR A 22 14.229 -8.858 -1.993 1.00 0.19 H new ATOM 0 HA THR A 22 15.553 -6.415 -1.025 1.00 0.20 H new ATOM 0 HB THR A 22 16.076 -7.317 -3.772 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.297 -9.188 -3.041 1.00 0.19 H new ATOM 0 HG21 THR A 22 18.414 -7.071 -3.026 1.00 0.32 H new ATOM 0 HG22 THR A 22 17.437 -5.645 -2.603 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.853 -6.842 -1.353 1.00 0.32 H new ATOM 354 N ILE A 23 13.867 -4.958 -2.127 1.00 0.16 N ATOM 355 CA ILE A 23 12.976 -4.019 -2.797 1.00 0.16 C ATOM 356 C ILE A 23 13.706 -2.731 -3.144 1.00 0.15 C ATOM 357 O ILE A 23 14.781 -2.465 -2.616 1.00 0.13 O ATOM 358 CB ILE A 23 11.747 -3.683 -1.923 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.186 -3.021 -0.610 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.937 -4.944 -1.657 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.043 -2.507 0.234 1.00 0.06 C ATOM 0 H ILE A 23 14.167 -4.662 -1.198 1.00 0.16 H new ATOM 0 HA ILE A 23 12.636 -4.502 -3.713 1.00 0.16 H new ATOM 0 HB ILE A 23 11.114 -2.975 -2.458 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.759 -3.741 -0.026 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.855 -2.192 -0.840 1.00 0.05 H new ATOM 0 HG21 ILE A 23 10.073 -4.698 -1.040 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.599 -5.366 -2.604 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.558 -5.673 -1.136 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.437 -2.054 1.144 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.482 -1.761 -0.329 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.384 -3.335 0.497 1.00 0.06 H new ATOM 373 N VAL A 24 13.123 -1.933 -4.025 1.00 0.16 N ATOM 374 CA VAL A 24 13.730 -0.670 -4.426 1.00 0.15 C ATOM 375 C VAL A 24 13.427 0.399 -3.382 1.00 0.15 C ATOM 376 O VAL A 24 12.267 0.630 -3.050 1.00 0.15 O ATOM 377 CB VAL A 24 13.220 -0.199 -5.806 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.958 1.056 -6.257 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.368 -1.306 -6.840 1.00 0.18 C ATOM 0 H VAL A 24 12.231 -2.136 -4.477 1.00 0.16 H new ATOM 0 HA VAL A 24 14.806 -0.829 -4.502 1.00 0.15 H new ATOM 0 HB VAL A 24 12.162 0.043 -5.711 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.582 1.369 -7.231 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.796 1.854 -5.532 1.00 0.17 H new ATOM 0 HG13 VAL A 24 15.025 0.844 -6.331 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.003 -0.954 -7.805 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.418 -1.583 -6.928 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.789 -2.175 -6.528 1.00 0.18 H new ATOM 389 N GLY A 25 14.465 1.037 -2.861 1.00 0.14 N ATOM 390 CA GLY A 25 14.265 2.057 -1.854 1.00 0.13 C ATOM 391 C GLY A 25 15.311 3.148 -1.922 1.00 0.11 C ATOM 392 O GLY A 25 16.291 3.124 -1.180 1.00 0.08 O ATOM 0 H GLY A 25 15.438 0.867 -3.117 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.276 2.498 -1.979 1.00 0.13 H new ATOM 0 HA3 GLY A 25 14.287 1.597 -0.866 1.00 0.13 H new ATOM 396 N ALA A 26 15.109 4.106 -2.812 1.00 0.15 N ATOM 397 CA ALA A 26 16.052 5.207 -2.967 1.00 0.17 C ATOM 398 C ALA A 26 15.457 6.537 -2.516 1.00 0.12 C ATOM 399 O ALA A 26 16.150 7.556 -2.482 1.00 0.19 O ATOM 400 CB ALA A 26 16.517 5.296 -4.411 1.00 0.27 C ATOM 0 H ALA A 26 14.304 4.146 -3.437 1.00 0.15 H new ATOM 0 HA ALA A 26 16.908 5.002 -2.325 1.00 0.17 H new ATOM 0 HB1 ALA A 26 17.221 6.121 -4.516 1.00 0.27 H new ATOM 0 HB2 ALA A 26 17.006 4.364 -4.694 1.00 0.27 H new ATOM 0 HB3 ALA A 26 15.658 5.467 -5.060 1.00 0.27 H new ATOM 406 N GLU A 27 14.182 6.527 -2.145 1.00 0.11 N ATOM 407 CA GLU A 27 13.514 7.747 -1.716 1.00 0.05 C ATOM 408 C GLU A 27 14.005 8.188 -0.337 1.00 0.10 C ATOM 409 O GLU A 27 14.064 9.380 -0.047 1.00 0.20 O ATOM 410 CB GLU A 27 11.994 7.559 -1.708 1.00 0.11 C ATOM 411 CG GLU A 27 11.240 8.714 -2.347 1.00 0.78 C ATOM 412 CD GLU A 27 11.613 8.932 -3.794 1.00 1.22 C ATOM 413 OE1 GLU A 27 11.084 8.213 -4.664 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 12.428 9.830 -4.069 1.00 1.46 O ATOM 0 H GLU A 27 13.595 5.693 -2.133 1.00 0.11 H new ATOM 0 HA GLU A 27 13.762 8.532 -2.431 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.746 6.637 -2.235 1.00 0.11 H new ATOM 0 HB3 GLU A 27 11.656 7.439 -0.679 1.00 0.11 H new ATOM 0 HG2 GLU A 27 10.169 8.524 -2.278 1.00 0.78 H new ATOM 0 HG3 GLU A 27 11.439 9.626 -1.785 1.00 0.78 H new ATOM 421 N SER A 28 14.361 7.221 0.504 1.00 0.11 N ATOM 422 CA SER A 28 14.858 7.501 1.848 1.00 0.17 C ATOM 423 C SER A 28 15.277 6.200 2.525 1.00 0.18 C ATOM 424 O SER A 28 14.443 5.329 2.763 1.00 0.15 O ATOM 425 CB SER A 28 13.787 8.208 2.689 1.00 0.18 C ATOM 426 OG SER A 28 14.205 8.356 4.038 1.00 0.26 O ATOM 0 H SER A 28 14.314 6.228 0.276 1.00 0.11 H new ATOM 0 HA SER A 28 15.722 8.161 1.767 1.00 0.17 H new ATOM 0 HB2 SER A 28 13.575 9.188 2.262 1.00 0.18 H new ATOM 0 HB3 SER A 28 12.859 7.637 2.654 1.00 0.18 H new ATOM 0 HG SER A 28 13.681 9.065 4.467 1.00 0.26 H new ATOM 432 N PRO A 29 16.573 6.057 2.857 1.00 0.23 N ATOM 433 CA PRO A 29 17.102 4.841 3.491 1.00 0.26 C ATOM 434 C PRO A 29 16.499 4.585 4.872 1.00 0.28 C ATOM 435 O PRO A 29 16.460 3.451 5.342 1.00 0.34 O ATOM 436 CB PRO A 29 18.606 5.114 3.608 1.00 0.31 C ATOM 437 CG PRO A 29 18.736 6.598 3.545 1.00 0.31 C ATOM 438 CD PRO A 29 17.622 7.073 2.655 1.00 0.25 C ATOM 0 HA PRO A 29 16.861 3.952 2.909 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.006 4.722 4.543 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.158 4.635 2.799 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.657 7.039 4.539 1.00 0.31 H new ATOM 0 HG3 PRO A 29 19.707 6.888 3.144 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.278 8.068 2.937 1.00 0.25 H new ATOM 0 HD3 PRO A 29 17.935 7.127 1.612 1.00 0.25 H new ATOM 446 N ALA A 30 16.019 5.641 5.511 1.00 0.27 N ATOM 447 CA ALA A 30 15.425 5.520 6.833 1.00 0.30 C ATOM 448 C ALA A 30 13.924 5.275 6.739 1.00 0.18 C ATOM 449 O ALA A 30 13.349 4.545 7.546 1.00 0.15 O ATOM 450 CB ALA A 30 15.709 6.772 7.654 1.00 0.41 C ATOM 0 H ALA A 30 16.029 6.590 5.136 1.00 0.27 H new ATOM 0 HA ALA A 30 15.875 4.662 7.331 1.00 0.30 H new ATOM 0 HB1 ALA A 30 15.259 6.669 8.642 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.786 6.903 7.758 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.285 7.641 7.151 1.00 0.41 H new ATOM 456 N HIS A 31 13.295 5.864 5.731 1.00 0.13 N ATOM 457 CA HIS A 31 11.855 5.724 5.550 1.00 0.10 C ATOM 458 C HIS A 31 11.494 4.340 5.015 1.00 0.09 C ATOM 459 O HIS A 31 10.506 3.750 5.441 1.00 0.19 O ATOM 460 CB HIS A 31 11.315 6.805 4.614 1.00 0.21 C ATOM 461 CG HIS A 31 10.027 7.407 5.076 1.00 0.05 C ATOM 462 ND1 HIS A 31 8.866 7.372 4.332 1.00 0.28 N ATOM 463 CD2 HIS A 31 9.720 8.075 6.214 1.00 0.12 C ATOM 464 CE1 HIS A 31 7.905 7.993 4.991 1.00 0.41 C ATOM 465 NE2 HIS A 31 8.400 8.429 6.133 1.00 0.32 N ATOM 0 H HIS A 31 13.756 6.441 5.028 1.00 0.13 H new ATOM 0 HA HIS A 31 11.391 5.844 6.529 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.061 7.594 4.515 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.171 6.376 3.622 1.00 0.21 H new ATOM 0 HD2 HIS A 31 10.391 8.288 7.033 1.00 0.12 H new ATOM 0 HE1 HIS A 31 6.887 8.122 4.653 1.00 0.41 H new ATOM 0 HE2 HIS A 31 7.882 8.947 6.843 1.00 0.32 H new ATOM 474 N ILE A 32 12.305 3.820 4.097 1.00 0.08 N ATOM 475 CA ILE A 32 12.057 2.502 3.495 1.00 0.20 C ATOM 476 C ILE A 32 12.168 1.376 4.520 1.00 0.27 C ATOM 477 O ILE A 32 11.577 0.311 4.351 1.00 0.36 O ATOM 478 CB ILE A 32 13.018 2.211 2.316 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.484 2.206 2.789 1.00 0.25 C ATOM 480 CG2 ILE A 32 12.796 3.226 1.202 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.486 1.825 1.723 1.00 0.30 C ATOM 0 H ILE A 32 13.142 4.288 3.750 1.00 0.08 H new ATOM 0 HA ILE A 32 11.035 2.536 3.116 1.00 0.20 H new ATOM 0 HB ILE A 32 12.802 1.218 1.923 1.00 0.23 H new ATOM 0 HG12 ILE A 32 14.734 3.197 3.167 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.580 1.513 3.625 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.476 3.015 0.376 1.00 0.18 H new ATOM 0 HG22 ILE A 32 11.766 3.161 0.850 1.00 0.18 H new ATOM 0 HG23 ILE A 32 12.987 4.230 1.581 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.491 1.848 2.144 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.267 0.821 1.360 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.423 2.531 0.895 1.00 0.30 H new ATOM 493 N ARG A 33 12.902 1.625 5.595 1.00 0.25 N ATOM 494 CA ARG A 33 13.093 0.625 6.637 1.00 0.32 C ATOM 495 C ARG A 33 11.833 0.445 7.482 1.00 0.34 C ATOM 496 O ARG A 33 11.456 -0.677 7.813 1.00 0.57 O ATOM 497 CB ARG A 33 14.275 1.006 7.527 1.00 0.34 C ATOM 498 CG ARG A 33 15.621 0.577 6.960 1.00 0.38 C ATOM 499 CD ARG A 33 16.778 1.092 7.804 1.00 0.37 C ATOM 500 NE ARG A 33 16.592 0.800 9.222 1.00 0.36 N ATOM 501 CZ ARG A 33 17.395 1.239 10.186 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.456 1.973 9.882 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 17.139 0.952 11.454 1.00 0.84 N ATOM 0 H ARG A 33 13.376 2.511 5.769 1.00 0.25 H new ATOM 0 HA ARG A 33 13.305 -0.326 6.148 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.278 2.086 7.672 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.142 0.553 8.509 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.664 -0.511 6.909 1.00 0.38 H new ATOM 0 HG3 ARG A 33 15.721 0.948 5.940 1.00 0.38 H new ATOM 0 HD2 ARG A 33 17.708 0.639 7.459 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.877 2.169 7.665 1.00 0.37 H new ATOM 0 HE ARG A 33 15.795 0.222 9.490 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.656 2.201 8.908 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.072 2.310 10.622 1.00 1.01 H new ATOM 0 HH21 ARG A 33 16.322 0.391 11.695 1.00 0.84 H new ATOM 0 HH22 ARG A 33 17.759 1.292 12.189 1.00 0.84 H new ATOM 517 N LEU A 34 11.173 1.549 7.813 1.00 0.14 N ATOM 518 CA LEU A 34 9.960 1.486 8.629 1.00 0.15 C ATOM 519 C LEU A 34 8.770 0.986 7.813 1.00 0.16 C ATOM 520 O LEU A 34 7.727 0.640 8.373 1.00 0.17 O ATOM 521 CB LEU A 34 9.654 2.846 9.277 1.00 0.13 C ATOM 522 CG LEU A 34 9.396 4.018 8.321 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.907 4.190 8.065 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.989 5.297 8.890 1.00 0.04 C ATOM 0 H LEU A 34 11.451 2.490 7.534 1.00 0.14 H new ATOM 0 HA LEU A 34 10.138 0.769 9.430 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.780 2.730 9.918 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.490 3.111 9.924 1.00 0.13 H new ATOM 0 HG LEU A 34 9.880 3.799 7.369 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.749 5.027 7.385 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.507 3.279 7.619 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.396 4.387 9.007 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.800 6.122 8.204 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.529 5.514 9.854 1.00 0.04 H new ATOM 0 HD23 LEU A 34 11.064 5.173 9.021 1.00 0.04 H new ATOM 536 N VAL A 35 8.931 0.946 6.494 1.00 0.16 N ATOM 537 CA VAL A 35 7.873 0.474 5.605 1.00 0.16 C ATOM 538 C VAL A 35 7.602 -1.005 5.853 1.00 0.13 C ATOM 539 O VAL A 35 6.451 -1.431 5.979 1.00 0.12 O ATOM 540 CB VAL A 35 8.244 0.671 4.121 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.155 0.118 3.215 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.490 2.141 3.823 1.00 0.25 C ATOM 0 H VAL A 35 9.785 1.235 6.016 1.00 0.16 H new ATOM 0 HA VAL A 35 6.981 1.063 5.821 1.00 0.16 H new ATOM 0 HB VAL A 35 9.164 0.120 3.924 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.438 0.268 2.173 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.028 -0.947 3.407 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.217 0.637 3.415 1.00 0.18 H new ATOM 0 HG21 VAL A 35 8.751 2.260 2.771 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.588 2.712 4.040 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.309 2.506 4.443 1.00 0.25 H new ATOM 552 N ALA A 36 8.677 -1.778 5.934 1.00 0.14 N ATOM 553 CA ALA A 36 8.574 -3.210 6.173 1.00 0.15 C ATOM 554 C ALA A 36 7.866 -3.485 7.491 1.00 0.12 C ATOM 555 O ALA A 36 7.005 -4.356 7.571 1.00 0.11 O ATOM 556 CB ALA A 36 9.954 -3.844 6.169 1.00 0.18 C ATOM 0 H ALA A 36 9.633 -1.435 5.837 1.00 0.14 H new ATOM 0 HA ALA A 36 7.984 -3.652 5.370 1.00 0.15 H new ATOM 0 HB1 ALA A 36 9.863 -4.915 6.349 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.428 -3.678 5.202 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.563 -3.395 6.954 1.00 0.18 H new ATOM 562 N ALA A 37 8.217 -2.714 8.513 1.00 0.13 N ATOM 563 CA ALA A 37 7.616 -2.867 9.832 1.00 0.11 C ATOM 564 C ALA A 37 6.128 -2.530 9.799 1.00 0.14 C ATOM 565 O ALA A 37 5.335 -3.107 10.544 1.00 0.20 O ATOM 566 CB ALA A 37 8.337 -1.993 10.844 1.00 0.13 C ATOM 0 H ALA A 37 8.917 -1.974 8.453 1.00 0.13 H new ATOM 0 HA ALA A 37 7.718 -3.910 10.133 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.878 -2.117 11.825 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.386 -2.285 10.895 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.265 -0.949 10.539 1.00 0.13 H new ATOM 572 N PHE A 38 5.755 -1.603 8.925 1.00 0.15 N ATOM 573 CA PHE A 38 4.365 -1.193 8.784 1.00 0.21 C ATOM 574 C PHE A 38 3.524 -2.350 8.248 1.00 0.21 C ATOM 575 O PHE A 38 2.437 -2.633 8.760 1.00 0.28 O ATOM 576 CB PHE A 38 4.267 0.014 7.848 1.00 0.26 C ATOM 577 CG PHE A 38 2.925 0.691 7.861 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.603 1.598 8.856 1.00 0.35 C ATOM 579 CD2 PHE A 38 1.988 0.424 6.874 1.00 0.41 C ATOM 580 CE1 PHE A 38 1.373 2.228 8.869 1.00 0.43 C ATOM 581 CE2 PHE A 38 0.756 1.050 6.884 1.00 0.50 C ATOM 582 CZ PHE A 38 0.448 1.952 7.883 1.00 0.50 C ATOM 0 H PHE A 38 6.400 -1.119 8.301 1.00 0.15 H new ATOM 0 HA PHE A 38 3.980 -0.910 9.764 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.031 0.740 8.127 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.490 -0.309 6.831 1.00 0.26 H new ATOM 0 HD1 PHE A 38 3.322 1.816 9.632 1.00 0.35 H new ATOM 0 HD2 PHE A 38 2.223 -0.280 6.090 1.00 0.41 H new ATOM 0 HE1 PHE A 38 1.136 2.935 9.650 1.00 0.43 H new ATOM 0 HE2 PHE A 38 0.034 0.834 6.110 1.00 0.50 H new ATOM 0 HZ PHE A 38 -0.515 2.441 7.893 1.00 0.50 H new ATOM 592 N VAL A 39 4.047 -3.024 7.227 1.00 0.16 N ATOM 593 CA VAL A 39 3.353 -4.155 6.621 1.00 0.17 C ATOM 594 C VAL A 39 3.438 -5.383 7.525 1.00 0.16 C ATOM 595 O VAL A 39 2.454 -6.097 7.705 1.00 0.18 O ATOM 596 CB VAL A 39 3.928 -4.501 5.227 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.121 -5.612 4.563 1.00 0.17 C ATOM 598 CG2 VAL A 39 3.965 -3.264 4.341 1.00 0.15 C ATOM 0 H VAL A 39 4.949 -2.806 6.803 1.00 0.16 H new ATOM 0 HA VAL A 39 2.310 -3.863 6.498 1.00 0.17 H new ATOM 0 HB VAL A 39 4.948 -4.860 5.363 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.546 -5.836 3.585 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.152 -6.506 5.185 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.087 -5.289 4.444 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.372 -3.528 3.365 1.00 0.15 H new ATOM 0 HG22 VAL A 39 2.955 -2.873 4.219 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.594 -2.504 4.804 1.00 0.15 H new ATOM 608 N ASP A 40 4.616 -5.602 8.096 1.00 0.12 N ATOM 609 CA ASP A 40 4.858 -6.730 8.996 1.00 0.11 C ATOM 610 C ASP A 40 3.862 -6.719 10.151 1.00 0.12 C ATOM 611 O ASP A 40 3.281 -7.747 10.502 1.00 0.13 O ATOM 612 CB ASP A 40 6.287 -6.653 9.532 1.00 0.09 C ATOM 613 CG ASP A 40 6.617 -7.747 10.523 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.993 -8.854 10.091 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.554 -7.492 11.740 1.00 1.14 O1- ATOM 0 H ASP A 40 5.431 -5.006 7.951 1.00 0.12 H new ATOM 0 HA ASP A 40 4.727 -7.660 8.443 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.984 -6.708 8.696 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.437 -5.684 10.009 1.00 0.09 H new ATOM 620 N ASP A 41 3.663 -5.543 10.728 1.00 0.12 N ATOM 621 CA ASP A 41 2.729 -5.372 11.835 1.00 0.13 C ATOM 622 C ASP A 41 1.289 -5.592 11.375 1.00 0.09 C ATOM 623 O ASP A 41 0.489 -6.211 12.081 1.00 0.07 O ATOM 624 CB ASP A 41 2.885 -3.977 12.445 1.00 0.16 C ATOM 625 CG ASP A 41 1.699 -3.565 13.296 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.391 -4.264 14.283 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 1.076 -2.528 12.982 1.00 0.22 O ATOM 0 H ASP A 41 4.139 -4.686 10.446 1.00 0.12 H new ATOM 0 HA ASP A 41 2.959 -6.119 12.595 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.788 -3.952 13.055 1.00 0.16 H new ATOM 0 HB3 ASP A 41 3.021 -3.250 11.644 1.00 0.16 H new ATOM 632 N LYS A 42 0.975 -5.107 10.183 1.00 0.10 N ATOM 633 CA LYS A 42 -0.365 -5.254 9.627 1.00 0.11 C ATOM 634 C LYS A 42 -0.676 -6.727 9.373 1.00 0.03 C ATOM 635 O LYS A 42 -1.794 -7.189 9.602 1.00 0.07 O ATOM 636 CB LYS A 42 -0.505 -4.449 8.331 1.00 0.19 C ATOM 637 CG LYS A 42 -1.930 -3.988 8.050 1.00 0.26 C ATOM 638 CD LYS A 42 -2.022 -2.474 7.937 1.00 0.28 C ATOM 639 CE LYS A 42 -3.154 -1.920 8.786 1.00 0.31 C ATOM 640 NZ LYS A 42 -2.811 -1.907 10.233 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.629 -4.608 9.581 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.081 -4.865 10.351 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.147 -3.577 8.383 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -0.158 -5.057 7.496 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -2.284 -4.444 7.125 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.588 -4.334 8.847 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.079 -2.027 8.250 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.177 -2.195 6.895 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -3.389 -0.907 8.460 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -4.050 -2.521 8.631 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -3.671 -1.735 10.792 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -2.402 -2.825 10.501 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -2.120 -1.152 10.419 1.00 0.38 H new ATOM 654 N MET A 43 0.325 -7.471 8.915 1.00 0.07 N ATOM 655 CA MET A 43 0.156 -8.895 8.649 1.00 0.12 C ATOM 656 C MET A 43 -0.007 -9.660 9.954 1.00 0.16 C ATOM 657 O MET A 43 -0.564 -10.757 9.986 1.00 0.35 O ATOM 658 CB MET A 43 1.356 -9.452 7.877 1.00 0.18 C ATOM 659 CG MET A 43 1.380 -9.075 6.402 1.00 0.16 C ATOM 660 SD MET A 43 2.566 -10.047 5.448 1.00 0.26 S ATOM 661 CE MET A 43 1.783 -11.657 5.463 1.00 0.29 C ATOM 0 H MET A 43 1.260 -7.113 8.721 1.00 0.07 H new ATOM 0 HA MET A 43 -0.741 -9.019 8.042 1.00 0.12 H new ATOM 0 HB2 MET A 43 2.273 -9.095 8.346 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.356 -10.539 7.963 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.384 -9.211 5.981 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.624 -8.017 6.306 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.290 -12.315 4.756 1.00 0.29 H new ATOM 0 HE2 MET A 43 1.846 -12.083 6.464 1.00 0.29 H new ATOM 0 HE3 MET A 43 0.736 -11.555 5.177 1.00 0.29 H new ATOM 671 N HIS A 44 0.483 -9.067 11.032 1.00 0.02 N ATOM 672 CA HIS A 44 0.410 -9.683 12.345 1.00 0.04 C ATOM 673 C HIS A 44 -0.994 -9.565 12.942 1.00 0.05 C ATOM 674 O HIS A 44 -1.482 -10.500 13.573 1.00 0.20 O ATOM 675 CB HIS A 44 1.440 -9.047 13.281 1.00 0.08 C ATOM 676 CG HIS A 44 1.628 -9.788 14.569 1.00 0.11 C ATOM 677 ND1 HIS A 44 1.147 -9.335 15.778 1.00 0.27 N ATOM 678 CD2 HIS A 44 2.251 -10.961 14.829 1.00 0.29 C ATOM 679 CE1 HIS A 44 1.469 -10.198 16.727 1.00 0.38 C ATOM 680 NE2 HIS A 44 2.137 -11.192 16.175 1.00 0.40 N ATOM 0 H HIS A 44 0.938 -8.154 11.021 1.00 0.02 H new ATOM 0 HA HIS A 44 0.635 -10.744 12.232 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.398 -8.987 12.764 1.00 0.08 H new ATOM 0 HB3 HIS A 44 1.133 -8.025 13.503 1.00 0.08 H new ATOM 0 HD2 HIS A 44 2.746 -11.597 14.110 1.00 0.29 H new ATOM 0 HE1 HIS A 44 1.226 -10.105 17.775 1.00 0.38 H new ATOM 0 HE2 HIS A 44 2.509 -12.002 16.670 1.00 0.40 H new ATOM 689 N GLU A 45 -1.647 -8.430 12.723 1.00 0.16 N ATOM 690 CA GLU A 45 -2.985 -8.209 13.266 1.00 0.15 C ATOM 691 C GLU A 45 -4.045 -9.016 12.511 1.00 0.15 C ATOM 692 O GLU A 45 -5.026 -9.468 13.100 1.00 0.17 O ATOM 693 CB GLU A 45 -3.330 -6.714 13.247 1.00 0.12 C ATOM 694 CG GLU A 45 -3.600 -6.152 11.853 1.00 0.09 C ATOM 695 CD GLU A 45 -3.517 -4.639 11.799 1.00 0.12 C ATOM 696 OE1 GLU A 45 -2.399 -4.104 11.656 1.00 0.16 O ATOM 697 OE2 GLU A 45 -4.566 -3.972 11.891 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.276 -7.652 12.177 1.00 0.16 H new ATOM 0 HA GLU A 45 -2.984 -8.558 14.299 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.209 -6.547 13.870 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.509 -6.157 13.698 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.882 -6.575 11.151 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.590 -6.468 11.525 1.00 0.09 H new ATOM 704 N PHE A 46 -3.843 -9.217 11.215 1.00 0.15 N ATOM 705 CA PHE A 46 -4.808 -9.959 10.409 1.00 0.14 C ATOM 706 C PHE A 46 -4.529 -11.465 10.427 1.00 0.16 C ATOM 707 O PHE A 46 -5.251 -12.244 9.802 1.00 0.17 O ATOM 708 CB PHE A 46 -4.805 -9.448 8.966 1.00 0.14 C ATOM 709 CG PHE A 46 -5.525 -8.140 8.782 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.894 -8.057 8.978 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.833 -6.995 8.414 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.560 -6.857 8.808 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.496 -5.793 8.243 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.861 -5.724 8.443 1.00 0.17 C ATOM 0 H PHE A 46 -3.028 -8.881 10.702 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.791 -9.795 10.850 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.773 -9.334 8.633 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -5.266 -10.199 8.324 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.447 -8.939 9.267 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.765 -7.043 8.259 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.628 -6.806 8.961 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.947 -4.909 7.953 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.380 -4.786 8.314 1.00 0.17 H new ATOM 724 N SER A 47 -3.502 -11.877 11.161 1.00 0.21 N ATOM 725 CA SER A 47 -3.143 -13.291 11.239 1.00 0.23 C ATOM 726 C SER A 47 -4.102 -14.050 12.146 1.00 0.21 C ATOM 727 O SER A 47 -4.174 -15.278 12.100 1.00 0.32 O ATOM 728 CB SER A 47 -1.703 -13.457 11.745 1.00 0.25 C ATOM 729 OG SER A 47 -1.590 -13.109 13.116 1.00 0.76 O ATOM 0 H SER A 47 -2.905 -11.257 11.709 1.00 0.21 H new ATOM 0 HA SER A 47 -3.215 -13.707 10.234 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.383 -14.489 11.603 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.034 -12.832 11.154 1.00 0.25 H new ATOM 0 HG SER A 47 -1.181 -12.222 13.196 1.00 0.76 H new ATOM 735 N GLU A 48 -4.848 -13.313 12.959 1.00 0.09 N ATOM 736 CA GLU A 48 -5.792 -13.918 13.887 1.00 0.08 C ATOM 737 C GLU A 48 -7.138 -14.170 13.214 1.00 0.10 C ATOM 738 O GLU A 48 -8.029 -14.789 13.796 1.00 0.07 O ATOM 739 CB GLU A 48 -5.970 -13.023 15.112 1.00 0.11 C ATOM 740 CG GLU A 48 -4.649 -12.586 15.729 1.00 0.06 C ATOM 741 CD GLU A 48 -4.823 -11.826 17.027 1.00 0.28 C ATOM 742 OE1 GLU A 48 -5.146 -10.622 16.975 1.00 0.61 O ATOM 743 OE2 GLU A 48 -4.622 -12.430 18.102 1.00 0.49 O1- ATOM 0 H GLU A 48 -4.817 -12.294 12.994 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.389 -14.880 14.205 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -6.542 -12.139 14.829 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.556 -13.555 15.861 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -4.031 -13.465 15.910 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -4.112 -11.959 15.017 1.00 0.06 H new ATOM 750 N LYS A 49 -7.286 -13.677 11.991 1.00 0.14 N ATOM 751 CA LYS A 49 -8.520 -13.861 11.237 1.00 0.18 C ATOM 752 C LYS A 49 -8.566 -15.264 10.642 1.00 0.27 C ATOM 753 O LYS A 49 -9.458 -16.051 10.957 1.00 0.38 O ATOM 754 CB LYS A 49 -8.637 -12.807 10.126 1.00 0.12 C ATOM 755 CG LYS A 49 -8.971 -11.409 10.630 1.00 0.20 C ATOM 756 CD LYS A 49 -10.421 -11.312 11.083 1.00 0.43 C ATOM 757 CE LYS A 49 -10.809 -9.886 11.442 1.00 0.64 C ATOM 758 NZ LYS A 49 -12.206 -9.802 11.950 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.567 -13.146 11.500 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.363 -13.738 11.917 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -7.697 -12.769 9.576 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.407 -13.121 9.421 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.312 -11.153 11.459 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.786 -10.682 9.839 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -11.074 -11.677 10.290 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.575 -11.959 11.947 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -10.124 -9.503 12.198 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -10.703 -9.249 10.564 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -12.432 -8.814 12.183 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -12.862 -10.144 11.219 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -12.301 -10.390 12.803 1.00 0.88 H new ATOM 772 N GLN A 50 -7.577 -15.569 9.802 1.00 0.30 N ATOM 773 CA GLN A 50 -7.473 -16.873 9.143 1.00 0.41 C ATOM 774 C GLN A 50 -8.779 -17.265 8.445 1.00 0.29 C ATOM 775 O GLN A 50 -9.421 -18.242 8.823 1.00 0.47 O ATOM 776 CB GLN A 50 -7.077 -17.950 10.158 1.00 0.63 C ATOM 777 CG GLN A 50 -5.624 -17.875 10.590 1.00 0.78 C ATOM 778 CD GLN A 50 -5.368 -18.587 11.905 1.00 0.93 C ATOM 779 OE1 GLN A 50 -6.240 -18.661 12.767 1.00 0.94 O ATOM 780 NE2 GLN A 50 -4.168 -19.119 12.065 1.00 1.07 N ATOM 0 H GLN A 50 -6.827 -14.922 9.559 1.00 0.30 H new ATOM 0 HA GLN A 50 -6.700 -16.793 8.379 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -7.714 -17.859 11.038 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -7.268 -18.932 9.726 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -4.995 -18.314 9.815 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -5.330 -16.830 10.684 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -3.471 -19.036 11.325 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -3.940 -19.612 12.928 1.00 1.07 H new ATOM 789 N PRO A 51 -9.187 -16.514 7.405 1.00 0.11 N ATOM 790 CA PRO A 51 -10.425 -16.801 6.676 1.00 0.09 C ATOM 791 C PRO A 51 -10.302 -18.053 5.817 1.00 0.05 C ATOM 792 O PRO A 51 -11.184 -18.912 5.807 1.00 0.20 O ATOM 793 CB PRO A 51 -10.638 -15.569 5.786 1.00 0.32 C ATOM 794 CG PRO A 51 -9.594 -14.576 6.184 1.00 0.44 C ATOM 795 CD PRO A 51 -8.491 -15.344 6.858 1.00 0.34 C ATOM 0 HA PRO A 51 -11.255 -16.987 7.358 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -10.544 -15.830 4.732 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -11.638 -15.158 5.924 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -9.216 -14.044 5.311 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -10.011 -13.828 6.858 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.711 -15.632 6.153 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -8.012 -14.757 7.642 1.00 0.34 H new ATOM 803 N MET A 52 -9.197 -18.141 5.086 1.00 0.10 N ATOM 804 CA MET A 52 -8.938 -19.282 4.218 1.00 0.14 C ATOM 805 C MET A 52 -7.767 -20.101 4.748 1.00 0.14 C ATOM 806 O MET A 52 -7.357 -21.084 4.130 1.00 0.16 O ATOM 807 CB MET A 52 -8.626 -18.807 2.794 1.00 0.25 C ATOM 808 CG MET A 52 -9.735 -17.983 2.158 1.00 0.17 C ATOM 809 SD MET A 52 -11.323 -18.834 2.162 1.00 0.22 S ATOM 810 CE MET A 52 -12.274 -17.776 1.073 1.00 1.11 C ATOM 0 H MET A 52 -8.464 -17.432 5.078 1.00 0.10 H new ATOM 0 HA MET A 52 -9.831 -19.907 4.201 1.00 0.14 H new ATOM 0 HB2 MET A 52 -7.712 -18.214 2.812 1.00 0.25 H new ATOM 0 HB3 MET A 52 -8.429 -19.677 2.167 1.00 0.25 H new ATOM 0 HG2 MET A 52 -9.832 -17.038 2.693 1.00 0.17 H new ATOM 0 HG3 MET A 52 -9.459 -17.741 1.131 1.00 0.17 H new ATOM 0 HE1 MET A 52 -13.285 -18.171 0.973 1.00 1.11 H new ATOM 0 HE2 MET A 52 -12.317 -16.770 1.490 1.00 1.11 H new ATOM 0 HE3 MET A 52 -11.799 -17.743 0.092 1.00 1.11 H new ATOM 820 N LEU A 53 -7.242 -19.683 5.902 1.00 0.15 N ATOM 821 CA LEU A 53 -6.104 -20.350 6.539 1.00 0.17 C ATOM 822 C LEU A 53 -4.931 -20.495 5.572 1.00 0.20 C ATOM 823 O LEU A 53 -4.210 -21.487 5.603 1.00 0.41 O ATOM 824 CB LEU A 53 -6.520 -21.720 7.082 1.00 0.19 C ATOM 825 CG LEU A 53 -7.195 -21.695 8.454 1.00 0.36 C ATOM 826 CD1 LEU A 53 -7.987 -22.968 8.682 1.00 0.31 C ATOM 827 CD2 LEU A 53 -6.161 -21.515 9.556 1.00 0.51 C ATOM 0 H LEU A 53 -7.592 -18.876 6.419 1.00 0.15 H new ATOM 0 HA LEU A 53 -5.777 -19.727 7.371 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -7.200 -22.186 6.368 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -5.636 -22.354 7.141 1.00 0.19 H new ATOM 0 HG LEU A 53 -7.882 -20.849 8.480 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -8.460 -22.931 9.663 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -8.754 -23.062 7.913 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -7.317 -23.827 8.634 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -6.661 -21.500 10.525 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -5.451 -22.341 9.527 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -5.630 -20.575 9.407 1.00 0.51 H new ATOM 839 N ASP A 54 -4.744 -19.496 4.722 1.00 0.04 N ATOM 840 CA ASP A 54 -3.662 -19.514 3.748 1.00 0.08 C ATOM 841 C ASP A 54 -2.815 -18.258 3.893 1.00 0.06 C ATOM 842 O ASP A 54 -3.352 -17.156 4.038 1.00 0.07 O ATOM 843 CB ASP A 54 -4.228 -19.620 2.331 1.00 0.12 C ATOM 844 CG ASP A 54 -3.240 -20.216 1.346 1.00 0.14 C ATOM 845 OD1 ASP A 54 -2.226 -20.804 1.786 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.476 -20.108 0.126 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.329 -18.661 4.687 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.032 -20.384 3.932 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.130 -20.232 2.350 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -4.523 -18.629 1.988 1.00 0.12 H new ATOM 851 N VAL A 55 -1.499 -18.430 3.848 1.00 0.06 N ATOM 852 CA VAL A 55 -0.555 -17.321 4.008 1.00 0.07 C ATOM 853 C VAL A 55 -0.721 -16.216 2.946 1.00 0.06 C ATOM 854 O VAL A 55 -0.803 -15.040 3.304 1.00 0.06 O ATOM 855 CB VAL A 55 0.908 -17.818 4.011 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.863 -16.692 4.382 1.00 0.08 C ATOM 857 CG2 VAL A 55 1.070 -18.990 4.967 1.00 0.13 C ATOM 0 H VAL A 55 -1.054 -19.336 3.701 1.00 0.06 H new ATOM 0 HA VAL A 55 -0.792 -16.881 4.977 1.00 0.07 H new ATOM 0 HB VAL A 55 1.155 -18.155 3.004 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.887 -17.067 4.377 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.770 -15.882 3.658 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.618 -16.320 5.377 1.00 0.08 H new ATOM 0 HG21 VAL A 55 2.106 -19.327 4.957 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.800 -18.677 5.976 1.00 0.13 H new ATOM 0 HG23 VAL A 55 0.419 -19.807 4.655 1.00 0.13 H new ATOM 867 N PRO A 56 -0.771 -16.546 1.635 1.00 0.05 N ATOM 868 CA PRO A 56 -0.920 -15.528 0.585 1.00 0.04 C ATOM 869 C PRO A 56 -2.190 -14.702 0.742 1.00 0.04 C ATOM 870 O PRO A 56 -2.231 -13.533 0.360 1.00 0.04 O ATOM 871 CB PRO A 56 -0.963 -16.336 -0.720 1.00 0.05 C ATOM 872 CG PRO A 56 -1.267 -17.732 -0.307 1.00 0.06 C ATOM 873 CD PRO A 56 -0.673 -17.899 1.061 1.00 0.06 C ATOM 0 HA PRO A 56 -0.106 -14.804 0.620 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.726 -15.951 -1.396 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.011 -16.281 -1.249 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.343 -17.908 -0.289 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.839 -18.448 -1.008 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.224 -18.629 1.653 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.360 -18.243 1.013 1.00 0.06 H new ATOM 881 N LYS A 57 -3.212 -15.305 1.344 1.00 0.05 N ATOM 882 CA LYS A 57 -4.488 -14.623 1.552 1.00 0.05 C ATOM 883 C LYS A 57 -4.333 -13.484 2.559 1.00 0.06 C ATOM 884 O LYS A 57 -5.170 -12.579 2.630 1.00 0.08 O ATOM 885 CB LYS A 57 -5.564 -15.601 2.052 1.00 0.06 C ATOM 886 CG LYS A 57 -6.857 -15.600 1.233 1.00 0.09 C ATOM 887 CD LYS A 57 -7.504 -14.222 1.141 1.00 0.11 C ATOM 888 CE LYS A 57 -8.137 -13.777 2.452 1.00 0.12 C ATOM 889 NZ LYS A 57 -7.900 -12.330 2.707 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.183 -16.262 1.696 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.801 -14.215 0.591 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.149 -16.609 2.050 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -5.805 -15.357 3.087 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -6.644 -15.963 0.228 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -7.564 -16.298 1.681 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -6.752 -13.492 0.840 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -8.266 -14.235 0.361 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -9.209 -13.972 2.425 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -7.727 -14.365 3.273 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -8.455 -12.028 3.533 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -6.889 -12.171 2.892 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -8.191 -11.779 1.875 1.00 0.10 H new ATOM 903 N LEU A 58 -3.266 -13.546 3.339 1.00 0.05 N ATOM 904 CA LEU A 58 -2.983 -12.536 4.344 1.00 0.06 C ATOM 905 C LEU A 58 -2.240 -11.363 3.712 1.00 0.06 C ATOM 906 O LEU A 58 -2.694 -10.221 3.775 1.00 0.08 O ATOM 907 CB LEU A 58 -2.136 -13.149 5.467 1.00 0.06 C ATOM 908 CG LEU A 58 -2.382 -12.599 6.872 1.00 0.11 C ATOM 909 CD1 LEU A 58 -1.575 -13.388 7.887 1.00 0.07 C ATOM 910 CD2 LEU A 58 -2.026 -11.125 6.950 1.00 0.17 C ATOM 0 H LEU A 58 -2.575 -14.295 3.293 1.00 0.05 H new ATOM 0 HA LEU A 58 -3.923 -12.173 4.761 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -2.314 -14.224 5.483 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.084 -13.004 5.221 1.00 0.06 H new ATOM 0 HG LEU A 58 -3.443 -12.703 7.100 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -1.756 -12.989 8.885 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.874 -14.436 7.855 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -0.514 -13.306 7.651 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -2.210 -10.759 7.960 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -0.973 -10.991 6.702 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -2.639 -10.565 6.244 1.00 0.17 H new ATOM 922 N ALA A 59 -1.119 -11.674 3.074 1.00 0.05 N ATOM 923 CA ALA A 59 -0.275 -10.668 2.434 1.00 0.06 C ATOM 924 C ALA A 59 -1.037 -9.838 1.405 1.00 0.08 C ATOM 925 O ALA A 59 -0.903 -8.611 1.358 1.00 0.11 O ATOM 926 CB ALA A 59 0.923 -11.347 1.789 1.00 0.06 C ATOM 0 H ALA A 59 -0.768 -12.628 2.985 1.00 0.05 H new ATOM 0 HA ALA A 59 0.063 -9.977 3.206 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.553 -10.597 1.311 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.498 -11.871 2.552 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.578 -12.060 1.041 1.00 0.06 H new ATOM 932 N VAL A 60 -1.850 -10.498 0.592 1.00 0.05 N ATOM 933 CA VAL A 60 -2.620 -9.803 -0.432 1.00 0.07 C ATOM 934 C VAL A 60 -3.728 -8.948 0.195 1.00 0.07 C ATOM 935 O VAL A 60 -4.145 -7.937 -0.372 1.00 0.08 O ATOM 936 CB VAL A 60 -3.225 -10.790 -1.458 1.00 0.07 C ATOM 937 CG1 VAL A 60 -4.372 -11.586 -0.848 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.680 -10.054 -2.710 1.00 0.08 C ATOM 0 H VAL A 60 -1.994 -11.507 0.620 1.00 0.05 H new ATOM 0 HA VAL A 60 -1.930 -9.146 -0.961 1.00 0.07 H new ATOM 0 HB VAL A 60 -2.446 -11.497 -1.742 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.776 -12.271 -1.593 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -4.006 -12.155 0.007 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -5.155 -10.903 -0.520 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -4.102 -10.767 -3.418 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.437 -9.316 -2.443 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -2.827 -9.551 -3.166 1.00 0.08 H new ATOM 948 N LEU A 61 -4.180 -9.341 1.384 1.00 0.07 N ATOM 949 CA LEU A 61 -5.227 -8.608 2.078 1.00 0.08 C ATOM 950 C LEU A 61 -4.669 -7.313 2.645 1.00 0.08 C ATOM 951 O LEU A 61 -5.290 -6.255 2.543 1.00 0.08 O ATOM 952 CB LEU A 61 -5.821 -9.459 3.207 1.00 0.10 C ATOM 953 CG LEU A 61 -6.986 -8.818 3.966 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.227 -8.741 3.090 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.280 -9.590 5.243 1.00 0.07 C ATOM 0 H LEU A 61 -3.836 -10.162 1.883 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.017 -8.374 1.364 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.160 -10.406 2.786 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.029 -9.692 3.919 1.00 0.10 H new ATOM 0 HG LEU A 61 -6.698 -7.802 4.235 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.041 -8.282 3.651 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.012 -8.140 2.206 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.519 -9.745 2.784 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.111 -9.120 5.769 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.543 -10.618 4.994 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.397 -9.586 5.882 1.00 0.07 H new ATOM 967 N THR A 62 -3.484 -7.399 3.230 1.00 0.10 N ATOM 968 CA THR A 62 -2.842 -6.232 3.801 1.00 0.11 C ATOM 969 C THR A 62 -2.447 -5.247 2.707 1.00 0.10 C ATOM 970 O THR A 62 -2.477 -4.033 2.908 1.00 0.13 O ATOM 971 CB THR A 62 -1.606 -6.634 4.622 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.880 -7.669 3.949 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.020 -7.124 5.996 1.00 0.15 C ATOM 0 H THR A 62 -2.951 -8.264 3.320 1.00 0.10 H new ATOM 0 HA THR A 62 -3.556 -5.748 4.467 1.00 0.11 H new ATOM 0 HB THR A 62 -0.968 -5.757 4.731 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.070 -7.630 2.988 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.133 -7.405 6.565 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.551 -6.330 6.521 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.673 -7.990 5.892 1.00 0.15 H new ATOM 981 N ALA A 63 -2.106 -5.783 1.539 1.00 0.08 N ATOM 982 CA ALA A 63 -1.713 -4.968 0.399 1.00 0.08 C ATOM 983 C ALA A 63 -2.842 -4.038 -0.032 1.00 0.07 C ATOM 984 O ALA A 63 -2.658 -2.824 -0.134 1.00 0.08 O ATOM 985 CB ALA A 63 -1.294 -5.861 -0.760 1.00 0.08 C ATOM 0 H ALA A 63 -2.095 -6.787 1.359 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.867 -4.350 0.699 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.002 -5.243 -1.609 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.451 -6.481 -0.455 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.129 -6.500 -1.047 1.00 0.08 H new ATOM 991 N VAL A 64 -4.013 -4.612 -0.259 1.00 0.07 N ATOM 992 CA VAL A 64 -5.168 -3.835 -0.694 1.00 0.08 C ATOM 993 C VAL A 64 -5.688 -2.918 0.417 1.00 0.09 C ATOM 994 O VAL A 64 -6.189 -1.825 0.142 1.00 0.12 O ATOM 995 CB VAL A 64 -6.302 -4.750 -1.225 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.919 -5.589 -0.115 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.369 -3.929 -1.933 1.00 0.12 C ATOM 0 H VAL A 64 -4.191 -5.610 -0.150 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.832 -3.203 -1.516 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.856 -5.437 -1.945 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.709 -6.216 -0.529 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.152 -6.221 0.333 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.339 -4.932 0.647 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.155 -4.591 -2.298 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.796 -3.208 -1.236 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.922 -3.399 -2.774 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.546 -3.347 1.669 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.005 -2.552 2.808 1.00 0.09 C ATOM 1009 C GLN A 65 -5.155 -1.292 2.948 1.00 0.07 C ATOM 1010 O GLN A 65 -5.670 -0.201 3.193 1.00 0.12 O ATOM 1011 CB GLN A 65 -5.948 -3.380 4.100 1.00 0.10 C ATOM 1012 CG GLN A 65 -6.979 -2.965 5.152 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.391 -2.084 6.241 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -5.887 -2.577 7.251 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -6.451 -0.777 6.044 1.00 0.31 N ATOM 0 H GLN A 65 -5.118 -4.238 1.921 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.040 -2.259 2.632 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -6.099 -4.431 3.853 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -4.950 -3.294 4.530 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.796 -2.434 4.663 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.407 -3.859 5.606 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -6.877 -0.408 5.194 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -6.071 -0.138 6.743 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.850 -1.450 2.783 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.921 -0.333 2.875 1.00 0.03 C ATOM 1026 C ILE A 66 -3.106 0.615 1.691 1.00 0.05 C ATOM 1027 O ILE A 66 -3.155 1.835 1.856 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.456 -0.834 2.927 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.176 -1.502 4.277 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.472 0.303 2.675 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.143 -2.246 4.328 1.00 1.29 C ATOM 0 H ILE A 66 -3.408 -2.347 2.583 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.135 0.206 3.798 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.319 -1.570 2.134 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -1.184 -0.741 5.057 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.984 -2.198 4.502 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.547 -0.081 2.718 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.656 0.732 1.690 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.602 1.072 3.436 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.271 -2.692 5.314 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.148 -3.031 3.571 1.00 1.29 H new ATOM 0 HD13 ILE A 66 0.960 -1.551 4.135 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.241 0.040 0.501 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.406 0.821 -0.718 1.00 0.05 C ATOM 1045 C ALA A 67 -4.655 1.700 -0.686 1.00 0.04 C ATOM 1046 O ALA A 67 -4.590 2.878 -1.030 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.444 -0.098 -1.931 1.00 0.06 C ATOM 0 H ALA A 67 -3.239 -0.970 0.355 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.546 1.487 -0.790 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.568 0.498 -2.835 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.512 -0.660 -1.991 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.280 -0.791 -1.836 1.00 0.06 H new ATOM 1053 N SER A 68 -5.780 1.144 -0.251 1.00 0.05 N ATOM 1054 CA SER A 68 -7.033 1.894 -0.209 1.00 0.07 C ATOM 1055 C SER A 68 -6.958 3.075 0.758 1.00 0.08 C ATOM 1056 O SER A 68 -7.325 4.203 0.407 1.00 0.12 O ATOM 1057 CB SER A 68 -8.194 0.968 0.171 1.00 0.07 C ATOM 1058 OG SER A 68 -7.798 0.025 1.148 1.00 0.04 O ATOM 0 H SER A 68 -5.852 0.181 0.077 1.00 0.05 H new ATOM 0 HA SER A 68 -7.208 2.298 -1.206 1.00 0.07 H new ATOM 0 HB2 SER A 68 -9.026 1.561 0.550 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.553 0.447 -0.717 1.00 0.07 H new ATOM 0 HG SER A 68 -7.458 -0.781 0.706 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.463 2.819 1.961 1.00 0.08 N ATOM 1065 CA GLU A 69 -6.350 3.855 2.982 1.00 0.14 C ATOM 1066 C GLU A 69 -5.397 4.972 2.558 1.00 0.10 C ATOM 1067 O GLU A 69 -5.581 6.131 2.930 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.888 3.239 4.300 1.00 0.19 C ATOM 1069 CG GLU A 69 -7.010 2.577 5.087 1.00 0.29 C ATOM 1070 CD GLU A 69 -8.109 3.553 5.462 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -7.805 4.550 6.104 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -9.282 3.300 5.122 1.00 0.79 O1- ATOM 0 H GLU A 69 -6.132 1.900 2.256 1.00 0.08 H new ATOM 0 HA GLU A 69 -7.336 4.300 3.114 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -5.114 2.500 4.095 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -5.433 4.015 4.915 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -7.435 1.766 4.496 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.600 2.130 5.993 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.385 4.627 1.777 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.422 5.615 1.314 1.00 0.04 C ATOM 1081 C TYR A 70 -3.915 6.321 0.054 1.00 0.03 C ATOM 1082 O TYR A 70 -3.611 7.496 -0.170 1.00 0.04 O ATOM 1083 CB TYR A 70 -2.062 4.964 1.067 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.208 4.876 2.313 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -1.646 4.188 3.439 1.00 0.37 C ATOM 1086 CD2 TYR A 70 0.034 5.491 2.367 1.00 0.36 C ATOM 1087 CE1 TYR A 70 -0.870 4.118 4.581 1.00 0.46 C ATOM 1088 CE2 TYR A 70 0.814 5.427 3.502 1.00 0.47 C ATOM 1089 CZ TYR A 70 0.360 4.739 4.608 1.00 0.44 C ATOM 1090 OH TYR A 70 1.137 4.684 5.748 1.00 0.58 O ATOM 0 H TYR A 70 -4.209 3.676 1.452 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.311 6.366 2.096 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.214 3.962 0.667 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.527 5.533 0.307 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -2.609 3.700 3.421 1.00 0.37 H new ATOM 0 HD2 TYR A 70 0.397 6.030 1.504 1.00 0.36 H new ATOM 0 HE1 TYR A 70 -1.226 3.580 5.447 1.00 0.46 H new ATOM 0 HE2 TYR A 70 1.778 5.914 3.525 1.00 0.47 H new ATOM 0 HH TYR A 70 0.871 3.911 6.288 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.691 5.612 -0.759 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.226 6.183 -1.992 1.00 0.11 C ATOM 1102 C LEU A 71 -6.205 7.310 -1.685 1.00 0.12 C ATOM 1103 O LEU A 71 -6.312 8.275 -2.440 1.00 0.16 O ATOM 1104 CB LEU A 71 -5.912 5.106 -2.847 1.00 0.13 C ATOM 1105 CG LEU A 71 -4.987 4.394 -3.855 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.584 3.065 -4.317 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -4.705 5.278 -5.066 1.00 0.23 C ATOM 0 H LEU A 71 -4.963 4.644 -0.588 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.389 6.591 -2.559 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.347 4.358 -2.184 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -6.736 5.566 -3.393 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.048 4.194 -3.339 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -4.907 2.589 -5.027 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -5.726 2.411 -3.456 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -6.545 3.246 -4.798 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.050 4.749 -5.758 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -5.643 5.520 -5.566 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.220 6.198 -4.740 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.908 7.193 -0.564 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.867 8.215 -0.163 1.00 0.16 C ATOM 1121 C LYS A 72 -7.144 9.462 0.348 1.00 0.16 C ATOM 1122 O LYS A 72 -7.722 10.548 0.409 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.812 7.673 0.919 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.241 7.726 2.333 1.00 0.18 C ATOM 1125 CD LYS A 72 -9.185 7.110 3.358 1.00 0.22 C ATOM 1126 CE LYS A 72 -8.785 7.492 4.775 1.00 0.25 C ATOM 1127 NZ LYS A 72 -9.425 6.623 5.796 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.833 6.405 0.080 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.457 8.488 -1.038 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.741 8.243 0.893 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.065 6.640 0.680 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.287 7.200 2.358 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -8.040 8.763 2.603 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -10.205 7.443 3.163 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -9.179 6.025 3.256 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -7.701 7.427 4.874 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -9.061 8.530 4.960 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -9.793 7.211 6.571 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -10.208 6.095 5.361 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -8.723 5.954 6.172 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.875 9.298 0.700 1.00 0.03 N ATOM 1142 CA LEU A 73 -5.072 10.396 1.218 1.00 0.05 C ATOM 1143 C LEU A 73 -4.419 11.180 0.081 1.00 0.05 C ATOM 1144 O LEU A 73 -4.304 12.404 0.147 1.00 0.10 O ATOM 1145 CB LEU A 73 -4.001 9.856 2.173 1.00 0.14 C ATOM 1146 CG LEU A 73 -3.129 10.913 2.858 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -3.955 11.768 3.807 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -1.980 10.251 3.602 1.00 0.24 C ATOM 0 H LEU A 73 -5.378 8.409 0.635 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.728 11.074 1.763 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.493 9.262 2.943 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.351 9.180 1.617 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.717 11.565 2.088 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -3.313 12.510 4.280 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -4.743 12.273 3.249 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -4.402 11.134 4.573 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -1.370 11.015 4.083 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -2.378 9.575 4.359 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -1.367 9.688 2.898 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.008 10.480 -0.975 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.364 11.137 -2.110 1.00 0.18 C ATOM 1162 C LYS A 74 -4.353 12.027 -2.856 1.00 0.21 C ATOM 1163 O LYS A 74 -3.963 13.009 -3.492 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.737 10.113 -3.067 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.736 9.427 -3.991 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.143 9.151 -5.366 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.006 8.147 -5.300 1.00 0.26 C ATOM 1168 NZ LYS A 74 -1.589 7.687 -6.649 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.108 9.469 -1.068 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.564 11.764 -1.716 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -1.983 10.614 -3.674 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.221 9.353 -2.480 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -4.061 8.489 -3.541 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.622 10.054 -4.097 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -3.922 8.774 -6.029 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -2.780 10.083 -5.799 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -1.154 8.598 -4.792 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.315 7.288 -4.704 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -1.339 6.678 -6.610 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -2.372 7.824 -7.320 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -0.764 8.236 -6.963 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.636 11.690 -2.773 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.656 12.478 -3.442 1.00 0.27 C ATOM 1184 C GLU A 75 -6.990 13.719 -2.617 1.00 0.23 C ATOM 1185 O GLU A 75 -7.443 14.725 -3.154 1.00 0.32 O ATOM 1186 CB GLU A 75 -7.905 11.632 -3.725 1.00 0.36 C ATOM 1187 CG GLU A 75 -8.998 11.737 -2.675 1.00 0.51 C ATOM 1188 CD GLU A 75 -10.379 11.641 -3.287 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -10.479 11.289 -4.484 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -11.372 11.917 -2.585 1.00 1.57 O1- ATOM 0 H GLU A 75 -5.988 10.885 -2.254 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.267 12.810 -4.405 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.317 11.930 -4.689 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -7.606 10.588 -3.815 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -8.871 10.944 -1.938 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -8.901 12.684 -2.144 1.00 0.51 H new ATOM 1197 N GLU A 76 -6.729 13.646 -1.314 1.00 0.13 N ATOM 1198 CA GLU A 76 -6.983 14.767 -0.414 1.00 0.10 C ATOM 1199 C GLU A 76 -6.053 15.927 -0.757 1.00 0.05 C ATOM 1200 O GLU A 76 -6.449 17.093 -0.727 1.00 0.03 O ATOM 1201 CB GLU A 76 -6.768 14.339 1.041 1.00 0.10 C ATOM 1202 CG GLU A 76 -7.107 15.420 2.053 1.00 0.19 C ATOM 1203 CD GLU A 76 -8.571 15.416 2.443 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -9.413 15.887 1.649 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -8.885 14.941 3.554 1.00 1.56 O ATOM 0 H GLU A 76 -6.341 12.820 -0.858 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.017 15.088 -0.536 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.378 13.459 1.245 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -5.727 14.044 1.173 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.497 15.281 2.945 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -6.848 16.394 1.639 1.00 0.19 H new ATOM 1212 N TYR A 77 -4.816 15.587 -1.098 1.00 0.06 N ATOM 1213 CA TYR A 77 -3.813 16.580 -1.456 1.00 0.05 C ATOM 1214 C TYR A 77 -4.273 17.409 -2.652 1.00 0.07 C ATOM 1215 O TYR A 77 -4.324 18.638 -2.586 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.476 15.888 -1.764 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.414 16.808 -2.340 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.272 18.115 -1.889 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -0.554 16.366 -3.339 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.309 18.953 -2.413 1.00 0.16 C ATOM 1221 CE2 TYR A 77 0.414 17.198 -3.868 1.00 0.17 C ATOM 1222 CZ TYR A 77 0.532 18.491 -3.404 1.00 0.18 C ATOM 1223 OH TYR A 77 1.492 19.324 -3.933 1.00 0.21 O ATOM 0 H TYR A 77 -4.483 14.624 -1.134 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.675 17.254 -0.611 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.093 15.439 -0.847 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.655 15.074 -2.467 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.928 18.482 -1.113 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -0.644 15.355 -3.708 1.00 0.14 H new ATOM 0 HE1 TYR A 77 -0.214 19.965 -2.049 1.00 0.16 H new ATOM 0 HE2 TYR A 77 1.075 16.837 -4.642 1.00 0.17 H new ATOM 0 HH TYR A 77 2.000 18.843 -4.619 1.00 0.21 H new ATOM 1233 N GLN A 78 -4.630 16.730 -3.734 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.077 17.409 -4.944 1.00 0.13 C ATOM 1235 C GLN A 78 -6.430 18.090 -4.727 1.00 0.06 C ATOM 1236 O GLN A 78 -6.759 19.060 -5.406 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.144 16.427 -6.119 1.00 0.19 C ATOM 1238 CG GLN A 78 -6.208 15.351 -5.973 1.00 0.23 C ATOM 1239 CD GLN A 78 -6.116 14.295 -7.056 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -6.722 14.426 -8.118 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -5.356 13.241 -6.797 1.00 0.26 N ATOM 0 H GLN A 78 -4.619 15.712 -3.799 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.349 18.184 -5.185 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -5.333 16.987 -7.035 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -4.172 15.948 -6.233 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -6.108 14.876 -4.997 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -7.195 15.813 -6.003 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -4.870 13.170 -5.903 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -5.257 12.500 -7.491 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.188 17.599 -3.753 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.501 18.149 -3.439 1.00 0.11 C ATOM 1252 C ARG A 79 -8.346 19.502 -2.760 1.00 0.17 C ATOM 1253 O ARG A 79 -9.064 20.458 -3.052 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.254 17.192 -2.514 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.724 17.529 -2.331 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.562 17.039 -3.501 1.00 0.78 C ATOM 1257 NE ARG A 79 -11.893 18.115 -4.432 1.00 1.20 N ATOM 1258 CZ ARG A 79 -12.905 18.968 -4.254 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -13.678 18.874 -3.174 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -13.148 19.907 -5.159 1.00 1.78 N ATOM 0 H ARG A 79 -6.912 16.814 -3.163 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.065 18.275 -4.363 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.172 16.180 -2.912 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -8.769 17.191 -1.538 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.089 17.078 -1.408 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.840 18.608 -2.227 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -11.020 16.256 -4.031 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -12.482 16.591 -3.125 1.00 0.78 H new ATOM 0 HE ARG A 79 -11.317 18.221 -5.267 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -13.498 18.149 -2.480 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -14.450 19.527 -3.041 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -12.562 19.977 -5.991 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -13.921 20.558 -5.023 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.381 19.565 -1.862 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.093 20.775 -1.111 1.00 0.17 C ATOM 1276 C LEU A 80 -6.424 21.826 -1.989 1.00 0.18 C ATOM 1277 O LEU A 80 -6.629 23.025 -1.809 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.183 20.436 0.070 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.604 21.637 0.817 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -6.625 22.196 1.794 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.321 21.249 1.537 1.00 0.23 C ATOM 0 H LEU A 80 -6.774 18.779 -1.632 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.035 21.186 -0.750 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.746 19.827 0.777 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.358 19.823 -0.293 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.364 22.415 0.092 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -6.197 23.051 2.318 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -7.515 22.512 1.249 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -6.897 21.426 2.516 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.923 22.116 2.063 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.532 20.455 2.253 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.588 20.897 0.811 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.632 21.372 -2.947 1.00 0.17 N ATOM 1294 CA ARG A 81 -4.913 22.280 -3.826 1.00 0.21 C ATOM 1295 C ARG A 81 -5.796 22.847 -4.933 1.00 0.22 C ATOM 1296 O ARG A 81 -5.647 24.012 -5.299 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.690 21.585 -4.420 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.464 21.656 -3.521 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.553 22.816 -3.900 1.00 0.43 C ATOM 1300 NE ARG A 81 -2.241 24.112 -3.858 1.00 0.50 N ATOM 1301 CZ ARG A 81 -1.949 25.137 -4.658 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.996 25.024 -5.574 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -2.616 26.281 -4.549 1.00 0.54 N ATOM 0 H ARG A 81 -5.471 20.383 -3.136 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.588 23.124 -3.218 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -3.932 20.540 -4.612 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.454 22.039 -5.382 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.780 21.765 -2.483 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -1.909 20.720 -3.588 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.700 22.840 -3.222 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -1.159 22.651 -4.903 1.00 0.43 H new ATOM 0 HE ARG A 81 -2.988 24.236 -3.175 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -0.481 24.148 -5.669 1.00 0.71 H new ATOM 0 HH12 ARG A 81 -0.778 25.813 -6.183 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -3.354 26.377 -3.851 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -2.390 27.064 -5.163 1.00 0.54 H new ATOM 1317 N GLU A 82 -6.716 22.041 -5.457 1.00 0.13 N ATOM 1318 CA GLU A 82 -7.601 22.501 -6.529 1.00 0.14 C ATOM 1319 C GLU A 82 -8.522 23.617 -6.043 1.00 0.14 C ATOM 1320 O GLU A 82 -8.832 24.550 -6.785 1.00 0.14 O ATOM 1321 CB GLU A 82 -8.424 21.342 -7.102 1.00 0.14 C ATOM 1322 CG GLU A 82 -9.396 20.729 -6.111 1.00 0.06 C ATOM 1323 CD GLU A 82 -10.355 19.757 -6.756 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -11.434 20.195 -7.200 1.00 1.21 O1- ATOM 1325 OE2 GLU A 82 -10.047 18.548 -6.806 1.00 0.84 O ATOM 0 H GLU A 82 -6.869 21.077 -5.162 1.00 0.13 H new ATOM 0 HA GLU A 82 -6.971 22.900 -7.324 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -8.981 21.698 -7.969 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -7.744 20.567 -7.456 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -8.836 20.215 -5.330 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -9.963 21.524 -5.626 1.00 0.06 H new ATOM 1332 N GLN A 83 -8.945 23.533 -4.789 1.00 0.14 N ATOM 1333 CA GLN A 83 -9.821 24.549 -4.217 1.00 0.14 C ATOM 1334 C GLN A 83 -9.005 25.744 -3.739 1.00 0.13 C ATOM 1335 O GLN A 83 -9.556 26.786 -3.388 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.634 23.975 -3.052 1.00 0.14 C ATOM 1337 CG GLN A 83 -9.786 23.576 -1.856 1.00 0.11 C ATOM 1338 CD GLN A 83 -10.611 23.323 -0.609 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -11.773 22.929 -0.690 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -10.016 23.552 0.548 1.00 0.65 N ATOM 0 H GLN A 83 -8.698 22.777 -4.151 1.00 0.14 H new ATOM 0 HA GLN A 83 -10.511 24.876 -4.994 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -11.370 24.714 -2.735 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -11.188 23.103 -3.401 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -9.221 22.677 -2.101 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -9.060 24.363 -1.652 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -9.050 23.878 0.569 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -10.523 23.402 1.420 1.00 0.65 H new ATOM 1349 N LEU A 84 -7.686 25.587 -3.743 1.00 0.13 N ATOM 1350 CA LEU A 84 -6.780 26.641 -3.304 1.00 0.10 C ATOM 1351 C LEU A 84 -6.213 27.396 -4.502 1.00 0.05 C ATOM 1352 O LEU A 84 -5.246 28.150 -4.382 1.00 0.17 O ATOM 1353 CB LEU A 84 -5.643 26.041 -2.473 1.00 0.13 C ATOM 1354 CG LEU A 84 -5.412 26.691 -1.095 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -4.263 26.017 -0.354 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -5.150 28.190 -1.228 1.00 0.15 C ATOM 0 H LEU A 84 -7.218 24.733 -4.048 1.00 0.13 H new ATOM 0 HA LEU A 84 -7.339 27.345 -2.687 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -5.845 24.980 -2.325 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -4.720 26.112 -3.048 1.00 0.13 H new ATOM 0 HG LEU A 84 -6.323 26.553 -0.513 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.124 26.497 0.615 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -4.494 24.962 -0.206 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -3.348 26.109 -0.940 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -4.991 28.621 -0.239 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -4.263 28.351 -1.841 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -6.009 28.669 -1.698 1.00 0.15 H new ATOM 1368 N LYS A 85 -6.814 27.169 -5.656 1.00 0.12 N ATOM 1369 CA LYS A 85 -6.396 27.823 -6.893 1.00 0.08 C ATOM 1370 C LYS A 85 -7.617 28.172 -7.734 1.00 0.11 C ATOM 1371 O LYS A 85 -8.740 27.813 -7.380 1.00 0.11 O ATOM 1372 CB LYS A 85 -5.461 26.915 -7.698 1.00 0.02 C ATOM 1373 CG LYS A 85 -6.102 25.596 -8.096 1.00 0.15 C ATOM 1374 CD LYS A 85 -5.267 24.837 -9.114 1.00 0.18 C ATOM 1375 CE LYS A 85 -5.510 25.340 -10.530 1.00 0.27 C ATOM 1376 NZ LYS A 85 -6.922 25.151 -10.967 1.00 0.48 N1+ ATOM 0 H LYS A 85 -7.602 26.531 -5.767 1.00 0.12 H new ATOM 0 HA LYS A 85 -5.859 28.735 -6.634 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -5.140 27.441 -8.597 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -4.566 26.713 -7.110 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -6.240 24.978 -7.208 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -7.093 25.785 -8.510 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -4.210 24.941 -8.868 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -5.504 23.775 -9.060 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -5.254 26.398 -10.585 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -4.847 24.815 -11.218 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -6.942 24.895 -11.975 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -7.360 24.391 -10.408 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -7.451 26.035 -10.824 1.00 0.48 H new ATOM 1390 N LYS A 86 -7.403 28.870 -8.838 1.00 0.23 N ATOM 1391 CA LYS A 86 -8.496 29.246 -9.718 1.00 0.30 C ATOM 1392 C LYS A 86 -8.863 28.074 -10.614 1.00 0.31 C ATOM 1393 O LYS A 86 -10.039 27.652 -10.603 1.00 0.34 O ATOM 1394 CB LYS A 86 -8.111 30.457 -10.569 1.00 0.35 C ATOM 1395 CG LYS A 86 -7.801 31.706 -9.757 1.00 0.42 C ATOM 1396 CD LYS A 86 -9.012 32.183 -8.971 1.00 0.38 C ATOM 1397 CE LYS A 86 -9.209 33.683 -9.095 1.00 0.40 C ATOM 1398 NZ LYS A 86 -9.599 34.070 -10.477 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -7.967 27.562 -11.311 1.00 0.35 O1- ATOM 0 H LYS A 86 -6.483 29.187 -9.145 1.00 0.23 H new ATOM 0 HA LYS A 86 -9.358 29.515 -9.108 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -7.240 30.202 -11.173 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -8.925 30.677 -11.260 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -6.980 31.499 -9.070 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -7.465 32.500 -10.425 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -9.904 31.668 -9.329 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -8.891 31.918 -7.921 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -9.978 34.009 -8.394 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -8.288 34.196 -8.819 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -10.047 35.009 -10.461 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -8.753 34.100 -11.081 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -10.271 33.372 -10.856 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -37.969 -8.405 6.430 1.00 1.09 N ATOM 1415 CA GLY B 1 -38.254 -6.952 6.493 1.00 0.31 C ATOM 1416 C GLY B 1 -37.061 -6.128 6.060 1.00 0.29 C ATOM 1417 O GLY B 1 -35.928 -6.438 6.429 1.00 0.69 O ATOM 0 H1 GLY B 1 -38.406 -8.880 7.246 1.00 1.09 H new ATOM 0 H2 GLY B 1 -38.361 -8.798 5.550 1.00 1.09 H new ATOM 0 H3 GLY B 1 -36.941 -8.558 6.450 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -39.107 -6.721 5.855 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -38.534 -6.680 7.511 1.00 0.31 H new ATOM 1423 N SER B 2 -37.310 -5.087 5.276 1.00 0.38 N ATOM 1424 CA SER B 2 -36.247 -4.221 4.789 1.00 0.63 C ATOM 1425 C SER B 2 -35.675 -3.372 5.923 1.00 0.42 C ATOM 1426 O SER B 2 -36.415 -2.876 6.772 1.00 0.44 O ATOM 1427 CB SER B 2 -36.790 -3.318 3.679 1.00 1.08 C ATOM 1428 OG SER B 2 -38.091 -3.733 3.282 1.00 1.47 O ATOM 0 H SER B 2 -38.244 -4.822 4.963 1.00 0.38 H new ATOM 0 HA SER B 2 -35.444 -4.843 4.392 1.00 0.63 H new ATOM 0 HB2 SER B 2 -36.823 -2.286 4.027 1.00 1.08 H new ATOM 0 HB3 SER B 2 -36.118 -3.344 2.821 1.00 1.08 H new ATOM 0 HG SER B 2 -38.421 -3.142 2.573 1.00 1.47 H new ATOM 1434 N HIS B 3 -34.358 -3.223 5.940 1.00 0.34 N ATOM 1435 CA HIS B 3 -33.693 -2.432 6.969 1.00 0.24 C ATOM 1436 C HIS B 3 -33.213 -1.105 6.391 1.00 0.25 C ATOM 1437 O HIS B 3 -32.412 -1.077 5.457 1.00 0.45 O ATOM 1438 CB HIS B 3 -32.512 -3.203 7.568 1.00 0.41 C ATOM 1439 CG HIS B 3 -32.921 -4.307 8.492 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -32.661 -5.637 8.237 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -33.571 -4.273 9.680 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -33.134 -6.373 9.227 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -33.689 -5.569 10.112 1.00 1.42 N ATOM 0 H HIS B 3 -33.728 -3.639 5.254 1.00 0.34 H new ATOM 0 HA HIS B 3 -34.413 -2.231 7.762 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -31.914 -3.622 6.758 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -31.872 -2.506 8.109 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -33.929 -3.391 10.191 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -33.076 -7.449 9.299 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -34.135 -5.864 10.980 1.00 1.42 H new ATOM 1452 N MET B 4 -33.717 -0.010 6.942 1.00 0.16 N ATOM 1453 CA MET B 4 -33.346 1.320 6.481 1.00 0.18 C ATOM 1454 C MET B 4 -32.514 2.038 7.537 1.00 0.37 C ATOM 1455 O MET B 4 -33.055 2.664 8.448 1.00 0.82 O ATOM 1456 CB MET B 4 -34.595 2.146 6.147 1.00 0.24 C ATOM 1457 CG MET B 4 -35.091 1.965 4.721 1.00 0.26 C ATOM 1458 SD MET B 4 -35.722 0.306 4.392 1.00 0.45 S ATOM 1459 CE MET B 4 -37.167 0.273 5.451 1.00 0.61 C ATOM 0 H MET B 4 -34.386 -0.017 7.712 1.00 0.16 H new ATOM 0 HA MET B 4 -32.748 1.210 5.576 1.00 0.18 H new ATOM 0 HB2 MET B 4 -35.394 1.873 6.836 1.00 0.24 H new ATOM 0 HB3 MET B 4 -34.376 3.201 6.314 1.00 0.24 H new ATOM 0 HG2 MET B 4 -35.878 2.692 4.522 1.00 0.26 H new ATOM 0 HG3 MET B 4 -34.276 2.180 4.030 1.00 0.26 H new ATOM 0 HE1 MET B 4 -37.864 -0.484 5.091 1.00 0.61 H new ATOM 0 HE2 MET B 4 -36.865 0.033 6.471 1.00 0.61 H new ATOM 0 HE3 MET B 4 -37.651 1.249 5.436 1.00 0.61 H new ATOM 1469 N THR B 5 -31.201 1.929 7.421 1.00 0.18 N ATOM 1470 CA THR B 5 -30.292 2.568 8.357 1.00 0.33 C ATOM 1471 C THR B 5 -29.358 3.533 7.629 1.00 0.22 C ATOM 1472 O THR B 5 -29.485 3.731 6.417 1.00 0.16 O ATOM 1473 CB THR B 5 -29.462 1.519 9.119 1.00 0.59 C ATOM 1474 OG1 THR B 5 -29.789 0.202 8.652 1.00 0.29 O ATOM 1475 CG2 THR B 5 -29.725 1.610 10.614 1.00 0.99 C ATOM 0 H THR B 5 -30.738 1.400 6.682 1.00 0.18 H new ATOM 0 HA THR B 5 -30.893 3.128 9.073 1.00 0.33 H new ATOM 0 HB THR B 5 -28.406 1.717 8.936 1.00 0.59 H new ATOM 0 HG1 THR B 5 -29.256 -0.460 9.140 1.00 0.29 H new ATOM 0 HG21 THR B 5 -29.129 0.860 11.135 1.00 0.99 H new ATOM 0 HG22 THR B 5 -29.452 2.603 10.972 1.00 0.99 H new ATOM 0 HG23 THR B 5 -30.783 1.432 10.809 1.00 0.99 H new ATOM 1483 N GLU B 6 -28.435 4.143 8.368 1.00 0.23 N ATOM 1484 CA GLU B 6 -27.483 5.089 7.793 1.00 0.17 C ATOM 1485 C GLU B 6 -26.419 4.353 6.981 1.00 0.23 C ATOM 1486 O GLU B 6 -26.483 3.131 6.822 1.00 0.52 O ATOM 1487 CB GLU B 6 -26.829 5.919 8.902 1.00 0.15 C ATOM 1488 CG GLU B 6 -26.044 5.087 9.905 1.00 0.15 C ATOM 1489 CD GLU B 6 -26.627 5.162 11.296 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -26.248 6.078 12.057 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -27.474 4.309 11.635 1.00 1.72 O1- ATOM 0 H GLU B 6 -28.326 3.998 9.372 1.00 0.23 H new ATOM 0 HA GLU B 6 -28.021 5.760 7.124 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -26.161 6.652 8.449 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -27.602 6.476 9.431 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -26.027 4.048 9.577 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -25.010 5.431 9.928 1.00 0.15 H new ATOM 1498 N GLN B 7 -25.433 5.088 6.484 1.00 0.15 N ATOM 1499 CA GLN B 7 -24.373 4.487 5.691 1.00 0.22 C ATOM 1500 C GLN B 7 -23.006 4.707 6.341 1.00 0.22 C ATOM 1501 O GLN B 7 -22.274 5.632 5.989 1.00 0.45 O ATOM 1502 CB GLN B 7 -24.390 5.038 4.257 1.00 0.57 C ATOM 1503 CG GLN B 7 -24.523 6.555 4.164 1.00 0.48 C ATOM 1504 CD GLN B 7 -24.484 7.061 2.733 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -23.966 8.143 2.456 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -25.038 6.290 1.813 1.00 0.86 N ATOM 0 H GLN B 7 -25.346 6.096 6.616 1.00 0.15 H new ATOM 0 HA GLN B 7 -24.553 3.413 5.648 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -23.472 4.735 3.754 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -25.217 4.579 3.715 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -25.460 6.862 4.628 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -23.718 7.022 4.732 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -25.458 5.399 2.079 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -25.045 6.586 0.837 1.00 0.86 H new ATOM 1515 N PRO B 8 -22.647 3.853 7.309 1.00 0.27 N ATOM 1516 CA PRO B 8 -21.378 3.933 8.015 1.00 0.51 C ATOM 1517 C PRO B 8 -20.306 3.077 7.339 1.00 0.35 C ATOM 1518 O PRO B 8 -20.517 2.592 6.226 1.00 0.14 O ATOM 1519 CB PRO B 8 -21.742 3.381 9.398 1.00 0.80 C ATOM 1520 CG PRO B 8 -22.911 2.464 9.179 1.00 0.79 C ATOM 1521 CD PRO B 8 -23.446 2.721 7.790 1.00 0.38 C ATOM 0 HA PRO B 8 -20.956 4.938 8.041 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -20.902 2.844 9.838 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -22.001 4.187 10.085 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -22.605 1.423 9.284 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -23.684 2.646 9.926 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -23.328 1.848 7.149 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -24.509 2.962 7.809 1.00 0.38 H new ATOM 1529 N LYS B 9 -19.155 2.910 7.995 1.00 0.47 N ATOM 1530 CA LYS B 9 -18.077 2.088 7.452 1.00 0.33 C ATOM 1531 C LYS B 9 -18.572 0.667 7.182 1.00 0.35 C ATOM 1532 O LYS B 9 -18.735 -0.130 8.106 1.00 0.52 O ATOM 1533 CB LYS B 9 -16.893 2.042 8.421 1.00 0.23 C ATOM 1534 CG LYS B 9 -16.096 3.335 8.485 1.00 0.28 C ATOM 1535 CD LYS B 9 -14.841 3.175 9.329 1.00 0.35 C ATOM 1536 CE LYS B 9 -15.142 3.315 10.814 1.00 0.69 C ATOM 1537 NZ LYS B 9 -15.392 4.728 11.196 1.00 0.89 N1+ ATOM 0 H LYS B 9 -18.948 3.333 8.900 1.00 0.47 H new ATOM 0 HA LYS B 9 -17.750 2.537 6.514 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -17.262 1.805 9.419 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -16.227 1.231 8.127 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -15.821 3.644 7.477 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -16.718 4.127 8.902 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -14.396 2.199 9.138 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -14.106 3.924 9.034 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -16.013 2.711 11.067 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -14.305 2.925 11.393 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -15.374 4.816 12.232 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -14.654 5.335 10.785 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -16.323 5.025 10.839 1.00 0.89 H new ATOM 1551 N THR B 10 -18.830 0.367 5.918 1.00 0.33 N ATOM 1552 CA THR B 10 -19.313 -0.945 5.529 1.00 0.31 C ATOM 1553 C THR B 10 -18.216 -1.731 4.819 1.00 0.23 C ATOM 1554 O THR B 10 -17.170 -1.177 4.459 1.00 0.23 O ATOM 1555 CB THR B 10 -20.561 -0.830 4.620 1.00 0.36 C ATOM 1556 OG1 THR B 10 -21.239 -2.092 4.543 1.00 0.42 O ATOM 1557 CG2 THR B 10 -20.193 -0.364 3.215 1.00 0.28 C ATOM 0 H THR B 10 -18.712 1.019 5.143 1.00 0.33 H new ATOM 0 HA THR B 10 -19.597 -1.480 6.435 1.00 0.31 H new ATOM 0 HB THR B 10 -21.221 -0.085 5.065 1.00 0.36 H new ATOM 0 HG1 THR B 10 -22.027 -2.005 3.967 1.00 0.42 H new ATOM 0 HG21 THR B 10 -21.095 -0.295 2.607 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.717 0.615 3.269 1.00 0.28 H new ATOM 0 HG23 THR B 10 -19.504 -1.078 2.764 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.450 -3.021 4.622 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.482 -3.874 3.956 1.00 0.21 C ATOM 1567 C ARG B 11 -17.856 -4.056 2.493 1.00 0.27 C ATOM 1568 O ARG B 11 -19.032 -4.012 2.131 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.403 -5.241 4.637 1.00 0.24 C ATOM 1570 CG ARG B 11 -17.134 -5.177 6.132 1.00 0.31 C ATOM 1571 CD ARG B 11 -17.318 -6.537 6.784 1.00 0.68 C ATOM 1572 NE ARG B 11 -17.245 -6.464 8.242 1.00 1.23 N ATOM 1573 CZ ARG B 11 -18.302 -6.521 9.051 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -19.531 -6.604 8.545 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -18.134 -6.480 10.367 1.00 1.72 N ATOM 0 H ARG B 11 -19.303 -3.498 4.915 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.507 -3.391 4.022 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -18.340 -5.772 4.470 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.616 -5.826 4.162 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -16.118 -4.822 6.306 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -17.807 -4.455 6.594 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -18.282 -6.951 6.490 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -16.552 -7.221 6.417 1.00 0.68 H new ATOM 0 HE ARG B 11 -16.324 -6.363 8.668 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -19.666 -6.624 7.534 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -20.337 -6.647 9.168 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -17.195 -6.405 10.759 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -18.943 -6.524 10.986 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.851 -4.260 1.663 1.00 0.16 N ATOM 1590 CA VAL B 12 -17.054 -4.461 0.242 1.00 0.15 C ATOM 1591 C VAL B 12 -16.240 -5.662 -0.233 1.00 0.12 C ATOM 1592 O VAL B 12 -15.168 -5.951 0.305 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.655 -3.201 -0.566 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -15.151 -2.957 -0.512 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -17.129 -3.306 -2.007 1.00 0.25 C ATOM 0 H VAL B 12 -15.874 -4.291 1.954 1.00 0.16 H new ATOM 0 HA VAL B 12 -18.114 -4.649 0.074 1.00 0.15 H new ATOM 0 HB VAL B 12 -17.149 -2.346 -0.104 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.906 -2.065 -1.089 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.842 -2.815 0.524 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.628 -3.816 -0.932 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.836 -2.409 -2.553 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.677 -4.180 -2.476 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -18.214 -3.405 -2.027 1.00 0.25 H new ATOM 1605 N SER B 13 -16.764 -6.374 -1.215 1.00 0.09 N ATOM 1606 CA SER B 13 -16.078 -7.527 -1.761 1.00 0.12 C ATOM 1607 C SER B 13 -15.413 -7.158 -3.083 1.00 0.18 C ATOM 1608 O SER B 13 -16.055 -6.587 -3.969 1.00 0.48 O ATOM 1609 CB SER B 13 -17.061 -8.680 -1.957 1.00 0.12 C ATOM 1610 OG SER B 13 -17.708 -9.005 -0.736 1.00 0.38 O ATOM 0 H SER B 13 -17.664 -6.172 -1.650 1.00 0.09 H new ATOM 0 HA SER B 13 -15.307 -7.848 -1.061 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.804 -8.407 -2.706 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.532 -9.554 -2.337 1.00 0.12 H new ATOM 0 HG SER B 13 -18.334 -9.744 -0.884 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.127 -7.460 -3.196 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.366 -7.164 -4.398 1.00 0.13 C ATOM 1618 C VAL B 14 -12.661 -8.419 -4.897 1.00 0.09 C ATOM 1619 O VAL B 14 -12.353 -9.317 -4.114 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.322 -6.051 -4.162 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.006 -4.701 -3.999 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.455 -6.366 -2.950 1.00 0.17 C ATOM 0 H VAL B 14 -13.586 -7.915 -2.460 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.073 -6.811 -5.148 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.673 -6.004 -5.037 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.254 -3.930 -3.834 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.572 -4.469 -4.901 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.683 -4.737 -3.145 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.728 -5.567 -2.805 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.084 -6.449 -2.064 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.931 -7.308 -3.112 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.408 -8.483 -6.192 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.750 -9.641 -6.768 1.00 0.12 C ATOM 1634 C ARG B 15 -10.331 -9.297 -7.211 1.00 0.08 C ATOM 1635 O ARG B 15 -10.132 -8.531 -8.152 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.560 -10.177 -7.949 1.00 0.19 C ATOM 1637 CG ARG B 15 -12.343 -11.658 -8.206 1.00 0.32 C ATOM 1638 CD ARG B 15 -13.574 -12.290 -8.834 1.00 0.37 C ATOM 1639 NE ARG B 15 -14.785 -11.976 -8.076 1.00 0.23 N ATOM 1640 CZ ARG B 15 -15.984 -11.793 -8.619 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -16.170 -11.978 -9.920 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -17.002 -11.441 -7.845 1.00 0.33 N ATOM 0 H ARG B 15 -12.647 -7.751 -6.861 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.689 -10.415 -6.003 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.619 -9.999 -7.764 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.295 -9.617 -8.846 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -11.485 -11.794 -8.864 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -12.109 -12.163 -7.269 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -13.683 -11.936 -9.859 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -13.444 -13.371 -8.883 1.00 0.37 H new ATOM 0 HE ARG B 15 -14.704 -11.892 -7.063 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -15.389 -12.263 -10.511 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -17.094 -11.835 -10.328 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -16.860 -11.313 -6.843 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -17.926 -11.298 -8.252 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.350 -9.850 -6.511 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.951 -9.620 -6.827 1.00 0.08 C ATOM 1658 C ILE B 16 -7.256 -10.959 -7.025 1.00 0.13 C ATOM 1659 O ILE B 16 -7.387 -11.859 -6.191 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.238 -8.828 -5.711 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.929 -7.486 -5.482 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.768 -8.623 -6.051 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.493 -6.788 -4.212 1.00 0.15 C ATOM 0 H ILE B 16 -9.502 -10.467 -5.713 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.901 -9.028 -7.741 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.297 -9.407 -4.789 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.728 -6.834 -6.332 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -9.007 -7.643 -5.448 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.284 -8.062 -5.251 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.281 -9.592 -6.161 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.685 -8.067 -6.985 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.025 -5.842 -4.116 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.719 -7.420 -3.353 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.420 -6.599 -4.251 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.543 -11.089 -8.139 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.830 -12.317 -8.478 1.00 0.25 C ATOM 1677 C TYR B 17 -6.820 -13.471 -8.664 1.00 0.24 C ATOM 1678 O TYR B 17 -6.501 -14.630 -8.410 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.793 -12.664 -7.400 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.578 -13.396 -7.935 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.616 -12.727 -8.684 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -3.393 -14.750 -7.692 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -1.508 -13.391 -9.175 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -2.288 -15.421 -8.178 1.00 0.31 C ATOM 1685 CZ TYR B 17 -1.348 -14.737 -8.919 1.00 0.26 C ATOM 1686 OH TYR B 17 -0.247 -15.402 -9.411 1.00 0.34 O ATOM 0 H TYR B 17 -6.443 -10.347 -8.832 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.299 -12.157 -9.417 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.467 -11.745 -6.913 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -5.269 -13.278 -6.635 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.737 -11.673 -8.885 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -4.127 -15.289 -7.112 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -0.770 -12.858 -9.757 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -2.161 -16.475 -7.979 1.00 0.31 H new ATOM 0 HH TYR B 17 -0.285 -16.343 -9.140 1.00 0.34 H new ATOM 1696 N GLY B 18 -8.030 -13.132 -9.092 1.00 0.21 N ATOM 1697 CA GLY B 18 -9.059 -14.131 -9.325 1.00 0.22 C ATOM 1698 C GLY B 18 -9.815 -14.546 -8.075 1.00 0.22 C ATOM 1699 O GLY B 18 -10.860 -15.189 -8.165 1.00 0.24 O ATOM 0 H GLY B 18 -8.320 -12.173 -9.284 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.770 -13.742 -10.054 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.599 -15.014 -9.768 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.312 -14.172 -6.912 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.957 -14.538 -5.658 1.00 0.21 C ATOM 1705 C GLN B 19 -10.772 -13.372 -5.103 1.00 0.18 C ATOM 1706 O GLN B 19 -10.418 -12.208 -5.295 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.914 -14.988 -4.636 1.00 0.22 C ATOM 1708 CG GLN B 19 -7.949 -16.039 -5.167 1.00 0.56 C ATOM 1709 CD GLN B 19 -8.604 -17.392 -5.369 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -9.524 -17.767 -4.639 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -8.145 -18.132 -6.365 1.00 1.36 N ATOM 0 H GLN B 19 -8.463 -13.617 -6.807 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.637 -15.366 -5.855 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.345 -14.119 -4.305 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.425 -15.387 -3.760 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -7.533 -15.697 -6.115 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -7.116 -16.144 -4.472 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -7.382 -17.787 -6.947 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -8.554 -19.048 -6.551 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.859 -13.694 -4.415 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.739 -12.677 -3.838 1.00 0.24 C ATOM 1722 C ASP B 20 -12.331 -12.362 -2.401 1.00 0.23 C ATOM 1723 O ASP B 20 -12.279 -13.256 -1.552 1.00 0.23 O ATOM 1724 CB ASP B 20 -14.189 -13.164 -3.867 1.00 0.31 C ATOM 1725 CG ASP B 20 -15.175 -12.072 -4.237 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -15.463 -11.911 -5.443 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.689 -11.388 -3.330 1.00 1.64 O ATOM 0 H ASP B 20 -12.156 -14.654 -4.240 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.650 -11.768 -4.433 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.277 -13.982 -4.581 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.451 -13.566 -2.888 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.037 -11.096 -2.132 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.635 -10.668 -0.797 1.00 0.22 C ATOM 1734 C TYR B 21 -12.589 -9.605 -0.266 1.00 0.24 C ATOM 1735 O TYR B 21 -13.149 -8.825 -1.034 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.210 -10.098 -0.808 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.178 -10.983 -1.473 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.195 -12.363 -1.311 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.180 -10.430 -2.266 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -8.251 -13.163 -1.922 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -7.234 -11.229 -2.880 1.00 0.15 C ATOM 1742 CZ TYR B 21 -7.274 -12.591 -2.705 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.334 -13.387 -3.313 1.00 0.14 O ATOM 0 H TYR B 21 -12.069 -10.346 -2.822 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.665 -11.544 -0.149 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.223 -9.134 -1.316 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.900 -9.912 0.220 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.959 -12.817 -0.697 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -8.143 -9.360 -2.405 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -8.279 -14.234 -1.786 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -6.466 -10.784 -3.495 1.00 0.15 H new ATOM 0 HH TYR B 21 -5.717 -12.828 -3.830 1.00 0.14 H new ATOM 1753 N THR B 22 -12.766 -9.572 1.042 1.00 0.18 N ATOM 1754 CA THR B 22 -13.640 -8.596 1.667 1.00 0.18 C ATOM 1755 C THR B 22 -12.821 -7.560 2.426 1.00 0.16 C ATOM 1756 O THR B 22 -11.968 -7.909 3.245 1.00 0.21 O ATOM 1757 CB THR B 22 -14.622 -9.276 2.634 1.00 0.20 C ATOM 1758 OG1 THR B 22 -14.866 -10.625 2.204 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.936 -8.507 2.697 1.00 0.26 C ATOM 0 H THR B 22 -12.314 -10.213 1.695 1.00 0.18 H new ATOM 0 HA THR B 22 -14.207 -8.103 0.877 1.00 0.18 H new ATOM 0 HB THR B 22 -14.180 -9.285 3.630 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.491 -11.058 2.823 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.617 -9.006 3.387 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.747 -7.491 3.044 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.386 -8.473 1.705 1.00 0.26 H new ATOM 1767 N ILE B 23 -13.068 -6.289 2.138 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.356 -5.195 2.792 1.00 0.11 C ATOM 1769 C ILE B 23 -13.340 -4.118 3.235 1.00 0.14 C ATOM 1770 O ILE B 23 -14.537 -4.237 2.994 1.00 0.32 O ATOM 1771 CB ILE B 23 -11.298 -4.557 1.864 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.917 -4.219 0.503 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -10.103 -5.488 1.705 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.988 -3.468 -0.423 1.00 0.08 C ATOM 0 H ILE B 23 -13.760 -5.987 1.452 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.844 -5.617 3.657 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.947 -3.629 2.316 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.229 -5.143 0.017 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -12.816 -3.623 0.662 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.366 -5.025 1.049 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.654 -5.674 2.681 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.433 -6.432 1.272 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.498 -3.266 -1.365 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.695 -2.526 0.041 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -10.100 -4.070 -0.614 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.841 -3.076 3.886 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.696 -1.990 4.348 1.00 0.17 C ATOM 1788 C VAL B 24 -13.546 -0.774 3.437 1.00 0.22 C ATOM 1789 O VAL B 24 -12.443 -0.255 3.260 1.00 0.28 O ATOM 1790 CB VAL B 24 -13.368 -1.577 5.797 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -14.364 -0.541 6.297 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.350 -2.790 6.717 1.00 0.18 C ATOM 0 H VAL B 24 -11.852 -2.959 4.106 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.723 -2.355 4.318 1.00 0.17 H new ATOM 0 HB VAL B 24 -12.373 -1.131 5.805 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -14.116 -0.262 7.321 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -14.321 0.342 5.660 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -15.370 -0.960 6.269 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -13.116 -2.472 7.733 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.328 -3.272 6.703 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.593 -3.495 6.374 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.653 -0.323 2.866 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.614 0.824 1.984 1.00 0.27 C ATOM 1804 C GLY B 25 -15.530 1.934 2.459 1.00 0.07 C ATOM 1805 O GLY B 25 -16.742 1.864 2.265 1.00 0.28 O ATOM 0 H GLY B 25 -15.578 -0.732 2.998 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.592 1.199 1.921 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.904 0.519 0.979 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.954 2.956 3.074 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.735 4.073 3.590 1.00 0.36 C ATOM 1811 C ALA B 26 -15.447 5.369 2.837 1.00 0.34 C ATOM 1812 O ALA B 26 -15.834 6.449 3.279 1.00 0.57 O ATOM 1813 CB ALA B 26 -15.462 4.254 5.073 1.00 0.61 C ATOM 0 H ALA B 26 -13.949 3.036 3.228 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.789 3.838 3.440 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -16.049 5.091 5.452 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -15.739 3.345 5.607 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -14.402 4.456 5.226 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.769 5.262 1.702 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.448 6.438 0.909 1.00 0.06 C ATOM 1821 C GLU B 27 -15.435 6.588 -0.245 1.00 0.07 C ATOM 1822 O GLU B 27 -16.199 7.552 -0.301 1.00 0.08 O ATOM 1823 CB GLU B 27 -13.008 6.353 0.384 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.346 7.708 0.174 1.00 0.97 C ATOM 1825 CD GLU B 27 -13.014 8.538 -0.905 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.963 8.137 -2.084 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -13.595 9.593 -0.575 1.00 2.44 O1- ATOM 0 H GLU B 27 -14.434 4.381 1.313 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.529 7.319 1.545 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.410 5.772 1.086 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -13.008 5.809 -0.561 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.362 8.262 1.112 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.299 7.557 -0.089 1.00 0.97 H new ATOM 1834 N SER B 28 -15.428 5.619 -1.149 1.00 0.08 N ATOM 1835 CA SER B 28 -16.301 5.636 -2.309 1.00 0.11 C ATOM 1836 C SER B 28 -16.248 4.281 -3.004 1.00 0.14 C ATOM 1837 O SER B 28 -15.173 3.689 -3.120 1.00 0.14 O ATOM 1838 CB SER B 28 -15.882 6.760 -3.272 1.00 0.16 C ATOM 1839 OG SER B 28 -16.197 6.447 -4.620 1.00 0.98 O ATOM 0 H SER B 28 -14.819 4.803 -1.098 1.00 0.08 H new ATOM 0 HA SER B 28 -17.325 5.828 -1.990 1.00 0.11 H new ATOM 0 HB2 SER B 28 -16.382 7.686 -2.988 1.00 0.16 H new ATOM 0 HB3 SER B 28 -14.810 6.935 -3.181 1.00 0.16 H new ATOM 0 HG SER B 28 -15.917 7.185 -5.201 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.406 3.767 -3.462 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.485 2.470 -4.145 1.00 0.21 C ATOM 1847 C PRO B 29 -16.576 2.403 -5.370 1.00 0.18 C ATOM 1848 O PRO B 29 -16.003 1.359 -5.670 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.960 2.354 -4.560 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.523 3.729 -4.428 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.731 4.403 -3.346 1.00 0.18 C ATOM 0 HA PRO B 29 -17.154 1.657 -3.499 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.052 1.989 -5.583 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.493 1.649 -3.921 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.441 4.275 -5.368 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.582 3.693 -4.171 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.676 5.481 -3.497 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.172 4.241 -2.362 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.433 3.526 -6.066 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.586 3.583 -7.251 1.00 0.16 C ATOM 1861 C ALA B 30 -14.117 3.669 -6.860 1.00 0.10 C ATOM 1862 O ALA B 30 -13.258 3.041 -7.479 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.973 4.768 -8.122 1.00 0.20 C ATOM 0 H ALA B 30 -16.891 4.406 -5.831 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.735 2.667 -7.823 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.332 4.797 -9.003 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -17.013 4.667 -8.433 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.853 5.691 -7.555 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.844 4.433 -5.810 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.476 4.616 -5.324 1.00 0.13 C ATOM 1871 C HIS B 31 -11.895 3.295 -4.839 1.00 0.07 C ATOM 1872 O HIS B 31 -10.768 2.945 -5.169 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.427 5.635 -4.181 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.467 6.763 -4.407 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -10.163 6.749 -3.965 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -11.648 7.968 -4.994 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -9.585 7.899 -4.271 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -10.466 8.656 -4.899 1.00 1.22 N ATOM 0 H HIS B 31 -14.551 4.938 -5.276 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.882 4.989 -6.158 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.425 6.046 -4.032 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -12.154 5.119 -3.260 1.00 0.20 H new ATOM 0 HD2 HIS B 31 -12.558 8.324 -5.454 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -8.565 8.172 -4.045 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -10.295 9.597 -5.254 1.00 1.22 H new ATOM 1887 N ILE B 32 -12.678 2.570 -4.055 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.247 1.287 -3.506 1.00 0.08 C ATOM 1889 C ILE B 32 -12.247 0.186 -4.564 1.00 0.07 C ATOM 1890 O ILE B 32 -11.590 -0.843 -4.399 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.128 0.857 -2.308 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.570 0.535 -2.766 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.111 1.947 -1.237 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.558 0.310 -1.637 1.00 0.10 C ATOM 0 H ILE B 32 -13.621 2.847 -3.782 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.224 1.429 -3.157 1.00 0.08 H new ATOM 0 HB ILE B 32 -12.717 -0.056 -1.877 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -14.931 1.354 -3.388 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.547 -0.356 -3.394 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.732 1.640 -0.396 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.088 2.104 -0.894 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.500 2.875 -1.656 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.542 0.091 -2.053 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.227 -0.530 -1.026 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.616 1.207 -1.020 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.961 0.413 -5.654 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.043 -0.571 -6.726 1.00 0.05 C ATOM 1908 C ARG B 33 -11.758 -0.578 -7.548 1.00 0.04 C ATOM 1909 O ARG B 33 -11.243 -1.639 -7.902 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.244 -0.283 -7.626 1.00 0.07 C ATOM 1911 CG ARG B 33 -14.936 -1.538 -8.133 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.409 -1.284 -8.406 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.612 -0.313 -9.477 1.00 0.42 N ATOM 1914 CZ ARG B 33 -17.699 0.442 -9.604 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.676 0.367 -8.707 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -17.802 1.276 -10.629 1.00 1.46 N ATOM 0 H ARG B 33 -13.492 1.268 -5.822 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.172 -1.556 -6.276 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.964 0.322 -7.075 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -13.915 0.311 -8.479 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -14.449 -1.881 -9.046 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.833 -2.335 -7.397 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -16.895 -2.223 -8.672 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.889 -0.924 -7.496 1.00 0.36 H new ATOM 0 HE ARG B 33 -15.873 -0.207 -10.172 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.594 -0.272 -7.916 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.508 0.948 -8.809 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -17.050 1.336 -11.315 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -18.634 1.858 -10.732 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.228 0.610 -7.830 1.00 0.06 N ATOM 1931 CA LEU B 34 -10.001 0.723 -8.613 1.00 0.09 C ATOM 1932 C LEU B 34 -8.791 0.221 -7.822 1.00 0.08 C ATOM 1933 O LEU B 34 -7.761 -0.120 -8.404 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.777 2.166 -9.092 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.609 3.224 -7.996 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -8.137 3.439 -7.677 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -10.255 4.529 -8.425 1.00 0.14 C ATOM 0 H LEU B 34 -11.625 1.501 -7.531 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.115 0.090 -9.493 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.889 2.183 -9.724 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.621 2.454 -9.720 1.00 0.12 H new ATOM 0 HG LEU B 34 -10.105 2.868 -7.093 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -8.040 4.194 -6.897 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.699 2.502 -7.332 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.616 3.775 -8.573 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -10.129 5.273 -7.638 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.782 4.885 -9.340 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -11.318 4.367 -8.605 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.928 0.170 -6.497 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.849 -0.304 -5.634 1.00 0.08 C ATOM 1951 C VAL B 35 -7.545 -1.767 -5.938 1.00 0.08 C ATOM 1952 O VAL B 35 -6.384 -2.184 -5.988 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.204 -0.172 -4.136 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.033 -0.593 -3.265 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.631 1.247 -3.801 1.00 0.09 C ATOM 0 H VAL B 35 -9.773 0.450 -6.000 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.978 0.319 -5.837 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.042 -0.838 -3.931 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.306 -0.492 -2.215 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.778 -1.632 -3.475 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.173 0.042 -3.479 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -8.875 1.313 -2.741 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -7.817 1.935 -4.029 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.507 1.512 -4.392 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.602 -2.533 -6.161 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.480 -3.950 -6.463 1.00 0.07 C ATOM 1967 C ALA B 36 -7.652 -4.178 -7.719 1.00 0.09 C ATOM 1968 O ALA B 36 -6.700 -4.962 -7.719 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.857 -4.564 -6.634 1.00 0.08 C ATOM 0 H ALA B 36 -9.563 -2.192 -6.138 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.969 -4.430 -5.628 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.757 -5.626 -6.860 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.427 -4.441 -5.713 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.378 -4.067 -7.452 1.00 0.08 H new ATOM 1975 N ALA B 37 -8.007 -3.468 -8.783 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.315 -3.587 -10.056 1.00 0.15 C ATOM 1977 C ALA B 37 -5.878 -3.082 -9.948 1.00 0.17 C ATOM 1978 O ALA B 37 -4.995 -3.537 -10.671 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.070 -2.832 -11.137 1.00 0.21 C ATOM 0 H ALA B 37 -8.777 -2.799 -8.786 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.278 -4.642 -10.328 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.541 -2.929 -12.085 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.073 -3.246 -11.237 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.138 -1.779 -10.865 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.654 -2.146 -9.028 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.327 -1.576 -8.811 1.00 0.18 C ATOM 1987 C PHE B 38 -3.383 -2.624 -8.224 1.00 0.15 C ATOM 1988 O PHE B 38 -2.238 -2.761 -8.661 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.428 -0.362 -7.879 1.00 0.23 C ATOM 1990 CG PHE B 38 -3.179 0.479 -7.830 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.673 1.060 -8.984 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -2.515 0.693 -6.633 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -1.528 1.834 -8.942 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -1.371 1.466 -6.586 1.00 0.36 C ATOM 1995 CZ PHE B 38 -0.878 2.038 -7.742 1.00 0.14 C ATOM 0 H PHE B 38 -6.378 -1.765 -8.419 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.922 -1.252 -9.770 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -5.261 0.262 -8.201 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.660 -0.708 -6.872 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -3.179 0.906 -9.926 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -2.897 0.250 -5.725 1.00 0.37 H new ATOM 0 HE1 PHE B 38 -1.143 2.279 -9.848 1.00 0.27 H new ATOM 0 HE2 PHE B 38 -0.863 1.623 -5.646 1.00 0.36 H new ATOM 0 HZ PHE B 38 0.015 2.644 -7.707 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.876 -3.374 -7.246 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.078 -4.417 -6.611 1.00 0.14 C ATOM 2007 C VAL B 39 -2.860 -5.570 -7.580 1.00 0.14 C ATOM 2008 O VAL B 39 -1.743 -6.076 -7.723 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.752 -4.951 -5.328 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.937 -6.078 -4.712 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.953 -3.831 -4.321 1.00 0.22 C ATOM 0 H VAL B 39 -4.822 -3.280 -6.876 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.121 -3.974 -6.336 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.729 -5.349 -5.604 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.434 -6.436 -3.810 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.849 -6.896 -5.427 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.943 -5.711 -4.457 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.429 -4.229 -3.425 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.987 -3.400 -4.058 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.588 -3.059 -4.757 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.936 -5.966 -8.256 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.885 -7.056 -9.226 1.00 0.21 C ATOM 2023 C ASP B 40 -2.886 -6.734 -10.335 1.00 0.27 C ATOM 2024 O ASP B 40 -2.169 -7.610 -10.816 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.275 -7.295 -9.821 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.268 -8.300 -10.957 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.406 -9.511 -10.690 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -5.146 -7.876 -12.127 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.859 -5.545 -8.148 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.558 -7.962 -8.716 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -5.945 -7.647 -9.036 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.677 -6.349 -10.183 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.842 -5.464 -10.718 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.937 -4.992 -11.764 1.00 0.37 C ATOM 2035 C ASP B 41 -0.478 -5.200 -11.368 1.00 0.32 C ATOM 2036 O ASP B 41 0.336 -5.663 -12.167 1.00 0.32 O ATOM 2037 CB ASP B 41 -2.195 -3.504 -12.038 1.00 0.46 C ATOM 2038 CG ASP B 41 -1.339 -2.946 -13.156 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -0.210 -2.497 -12.878 1.00 0.92 O ATOM 2040 OD2 ASP B 41 -1.806 -2.931 -14.316 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.429 -4.733 -10.316 1.00 0.28 H new ATOM 0 HA ASP B 41 -2.128 -5.571 -12.668 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -3.246 -3.365 -12.290 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.007 -2.936 -11.127 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.159 -4.879 -10.122 1.00 0.28 N ATOM 2046 CA LYS B 42 1.204 -5.012 -9.625 1.00 0.24 C ATOM 2047 C LYS B 42 1.577 -6.475 -9.393 1.00 0.20 C ATOM 2048 O LYS B 42 2.710 -6.880 -9.643 1.00 0.18 O ATOM 2049 CB LYS B 42 1.371 -4.210 -8.333 1.00 0.24 C ATOM 2050 CG LYS B 42 2.824 -3.924 -7.976 1.00 0.21 C ATOM 2051 CD LYS B 42 3.122 -2.430 -7.946 1.00 0.40 C ATOM 2052 CE LYS B 42 3.725 -1.942 -9.257 1.00 0.55 C ATOM 2053 NZ LYS B 42 2.736 -1.927 -10.368 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.826 -4.524 -9.436 1.00 0.28 H new ATOM 0 HA LYS B 42 1.878 -4.616 -10.384 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.837 -3.265 -8.430 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.905 -4.757 -7.513 1.00 0.24 H new ATOM 0 HG2 LYS B 42 3.050 -4.358 -7.002 1.00 0.21 H new ATOM 0 HG3 LYS B 42 3.478 -4.409 -8.701 1.00 0.21 H new ATOM 0 HD2 LYS B 42 2.202 -1.881 -7.743 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.809 -2.214 -7.128 1.00 0.40 H new ATOM 0 HE2 LYS B 42 4.125 -0.938 -9.118 1.00 0.55 H new ATOM 0 HE3 LYS B 42 4.563 -2.584 -9.529 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 2.844 -2.789 -10.940 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 1.774 -1.890 -9.976 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 2.898 -1.092 -10.966 1.00 0.48 H new ATOM 2067 N MET B 43 0.631 -7.274 -8.922 1.00 0.21 N ATOM 2068 CA MET B 43 0.894 -8.686 -8.667 1.00 0.19 C ATOM 2069 C MET B 43 1.034 -9.468 -9.964 1.00 0.17 C ATOM 2070 O MET B 43 1.753 -10.460 -10.019 1.00 0.18 O ATOM 2071 CB MET B 43 -0.214 -9.305 -7.813 1.00 0.24 C ATOM 2072 CG MET B 43 -0.040 -9.071 -6.321 1.00 0.25 C ATOM 2073 SD MET B 43 -1.224 -9.995 -5.324 1.00 0.31 S ATOM 2074 CE MET B 43 -0.659 -11.674 -5.589 1.00 0.24 C ATOM 0 H MET B 43 -0.320 -6.973 -8.709 1.00 0.21 H new ATOM 0 HA MET B 43 1.837 -8.743 -8.123 1.00 0.19 H new ATOM 0 HB2 MET B 43 -1.174 -8.895 -8.126 1.00 0.24 H new ATOM 0 HB3 MET B 43 -0.249 -10.378 -8.002 1.00 0.24 H new ATOM 0 HG2 MET B 43 0.972 -9.353 -6.029 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.147 -8.007 -6.110 1.00 0.25 H new ATOM 0 HE1 MET B 43 -1.108 -12.331 -4.844 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.951 -12.003 -6.586 1.00 0.24 H new ATOM 0 HE3 MET B 43 0.427 -11.711 -5.498 1.00 0.24 H new ATOM 2084 N HIS B 44 0.368 -9.004 -11.012 1.00 0.16 N ATOM 2085 CA HIS B 44 0.403 -9.688 -12.300 1.00 0.19 C ATOM 2086 C HIS B 44 1.699 -9.428 -13.067 1.00 0.25 C ATOM 2087 O HIS B 44 1.985 -10.109 -14.051 1.00 0.61 O ATOM 2088 CB HIS B 44 -0.793 -9.268 -13.152 1.00 0.26 C ATOM 2089 CG HIS B 44 -1.395 -10.394 -13.933 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -2.301 -10.202 -14.952 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -1.221 -11.734 -13.835 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -2.660 -11.372 -15.444 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -2.019 -12.316 -14.783 1.00 1.53 N ATOM 0 H HIS B 44 -0.202 -8.159 -10.997 1.00 0.16 H new ATOM 0 HA HIS B 44 0.355 -10.757 -12.093 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -1.556 -8.837 -12.505 1.00 0.26 H new ATOM 0 HB3 HIS B 44 -0.480 -8.484 -13.842 1.00 0.26 H new ATOM 0 HD2 HIS B 44 -0.574 -12.247 -13.139 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -3.360 -11.530 -16.251 1.00 1.18 H new ATOM 0 HE2 HIS B 44 -2.104 -13.318 -14.951 1.00 1.53 H new ATOM 2102 N GLU B 45 2.479 -8.450 -12.630 1.00 0.14 N ATOM 2103 CA GLU B 45 3.731 -8.139 -13.310 1.00 0.11 C ATOM 2104 C GLU B 45 4.928 -8.739 -12.575 1.00 0.07 C ATOM 2105 O GLU B 45 5.979 -8.972 -13.173 1.00 0.03 O ATOM 2106 CB GLU B 45 3.907 -6.627 -13.462 1.00 0.10 C ATOM 2107 CG GLU B 45 4.079 -5.885 -12.145 1.00 0.07 C ATOM 2108 CD GLU B 45 4.380 -4.417 -12.345 1.00 0.22 C ATOM 2109 OE1 GLU B 45 5.555 -4.080 -12.591 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 3.448 -3.594 -12.254 1.00 0.49 O ATOM 0 H GLU B 45 2.273 -7.865 -11.820 1.00 0.14 H new ATOM 0 HA GLU B 45 3.684 -8.586 -14.303 1.00 0.11 H new ATOM 0 HB2 GLU B 45 4.776 -6.435 -14.091 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.040 -6.222 -13.984 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.171 -5.989 -11.551 1.00 0.07 H new ATOM 0 HG3 GLU B 45 4.887 -6.344 -11.575 1.00 0.07 H new ATOM 2117 N PHE B 46 4.770 -8.993 -11.283 1.00 0.11 N ATOM 2118 CA PHE B 46 5.855 -9.555 -10.491 1.00 0.10 C ATOM 2119 C PHE B 46 5.854 -11.080 -10.550 1.00 0.10 C ATOM 2120 O PHE B 46 6.849 -11.724 -10.205 1.00 0.11 O ATOM 2121 CB PHE B 46 5.773 -9.076 -9.038 1.00 0.11 C ATOM 2122 CG PHE B 46 6.419 -7.738 -8.812 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.795 -7.586 -8.932 1.00 0.16 C ATOM 2124 CD2 PHE B 46 5.653 -6.630 -8.478 1.00 0.14 C ATOM 2125 CE1 PHE B 46 8.389 -6.357 -8.722 1.00 0.17 C ATOM 2126 CE2 PHE B 46 6.245 -5.401 -8.268 1.00 0.14 C ATOM 2127 CZ PHE B 46 7.614 -5.265 -8.391 1.00 0.15 C ATOM 0 H PHE B 46 3.909 -8.821 -10.765 1.00 0.11 H new ATOM 0 HA PHE B 46 6.793 -9.202 -10.920 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.726 -9.020 -8.740 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.249 -9.814 -8.393 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.406 -8.438 -9.192 1.00 0.16 H new ATOM 0 HD2 PHE B 46 4.582 -6.731 -8.381 1.00 0.14 H new ATOM 0 HE1 PHE B 46 9.460 -6.251 -8.817 1.00 0.17 H new ATOM 0 HE2 PHE B 46 5.638 -4.546 -8.008 1.00 0.14 H new ATOM 0 HZ PHE B 46 8.078 -4.303 -8.228 1.00 0.15 H new ATOM 2137 N SER B 47 4.744 -11.654 -10.998 1.00 0.09 N ATOM 2138 CA SER B 47 4.619 -13.099 -11.108 1.00 0.10 C ATOM 2139 C SER B 47 5.615 -13.663 -12.120 1.00 0.09 C ATOM 2140 O SER B 47 6.038 -14.811 -12.017 1.00 0.13 O ATOM 2141 CB SER B 47 3.190 -13.452 -11.515 1.00 0.13 C ATOM 2142 OG SER B 47 2.569 -12.349 -12.152 1.00 0.49 O ATOM 0 H SER B 47 3.915 -11.137 -11.292 1.00 0.09 H new ATOM 0 HA SER B 47 4.844 -13.545 -10.139 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.198 -14.310 -12.187 1.00 0.13 H new ATOM 0 HB3 SER B 47 2.616 -13.742 -10.635 1.00 0.13 H new ATOM 0 HG SER B 47 2.170 -11.763 -11.476 1.00 0.49 H new ATOM 2148 N GLU B 48 5.994 -12.841 -13.092 1.00 0.13 N ATOM 2149 CA GLU B 48 6.946 -13.255 -14.118 1.00 0.12 C ATOM 2150 C GLU B 48 8.361 -13.324 -13.548 1.00 0.09 C ATOM 2151 O GLU B 48 9.243 -13.968 -14.120 1.00 0.07 O ATOM 2152 CB GLU B 48 6.906 -12.285 -15.300 1.00 0.15 C ATOM 2153 CG GLU B 48 7.698 -12.764 -16.508 1.00 0.17 C ATOM 2154 CD GLU B 48 7.655 -11.785 -17.658 1.00 0.71 C ATOM 2155 OE1 GLU B 48 6.624 -11.726 -18.355 1.00 1.67 O ATOM 2156 OE2 GLU B 48 8.654 -11.063 -17.867 1.00 0.76 O1- ATOM 0 H GLU B 48 5.657 -11.883 -13.192 1.00 0.13 H new ATOM 0 HA GLU B 48 6.663 -14.249 -14.464 1.00 0.12 H new ATOM 0 HB2 GLU B 48 5.869 -12.128 -15.595 1.00 0.15 H new ATOM 0 HB3 GLU B 48 7.296 -11.319 -14.980 1.00 0.15 H new ATOM 0 HG2 GLU B 48 8.735 -12.929 -16.215 1.00 0.17 H new ATOM 0 HG3 GLU B 48 7.303 -13.725 -16.839 1.00 0.17 H new ATOM 2163 N LYS B 49 8.565 -12.668 -12.413 1.00 0.10 N ATOM 2164 CA LYS B 49 9.872 -12.647 -11.770 1.00 0.10 C ATOM 2165 C LYS B 49 10.002 -13.836 -10.830 1.00 0.15 C ATOM 2166 O LYS B 49 10.949 -14.618 -10.936 1.00 0.23 O ATOM 2167 CB LYS B 49 10.084 -11.336 -10.992 1.00 0.09 C ATOM 2168 CG LYS B 49 9.579 -10.082 -11.705 1.00 0.12 C ATOM 2169 CD LYS B 49 10.222 -9.891 -13.072 1.00 0.05 C ATOM 2170 CE LYS B 49 11.641 -9.359 -12.961 1.00 1.11 C ATOM 2171 NZ LYS B 49 12.170 -8.923 -14.280 1.00 1.14 N1+ ATOM 0 H LYS B 49 7.843 -12.144 -11.919 1.00 0.10 H new ATOM 0 HA LYS B 49 10.637 -12.710 -12.544 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.582 -11.416 -10.028 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.148 -11.218 -10.788 1.00 0.09 H new ATOM 0 HG2 LYS B 49 8.497 -10.145 -11.821 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.783 -9.209 -11.086 1.00 0.12 H new ATOM 0 HD2 LYS B 49 10.231 -10.842 -13.605 1.00 0.05 H new ATOM 0 HD3 LYS B 49 9.620 -9.200 -13.663 1.00 0.05 H new ATOM 0 HE2 LYS B 49 11.662 -8.520 -12.265 1.00 1.11 H new ATOM 0 HE3 LYS B 49 12.288 -10.132 -12.547 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 13.140 -8.566 -14.164 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 12.174 -9.730 -14.936 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 11.567 -8.168 -14.663 1.00 1.14 H new ATOM 2185 N GLN B 50 9.030 -13.958 -9.921 1.00 0.20 N ATOM 2186 CA GLN B 50 8.981 -15.040 -8.937 1.00 0.30 C ATOM 2187 C GLN B 50 10.333 -15.267 -8.257 1.00 0.13 C ATOM 2188 O GLN B 50 10.989 -16.281 -8.498 1.00 0.29 O ATOM 2189 CB GLN B 50 8.506 -16.331 -9.604 1.00 0.53 C ATOM 2190 CG GLN B 50 7.039 -16.640 -9.350 1.00 1.05 C ATOM 2191 CD GLN B 50 6.488 -17.687 -10.296 1.00 1.30 C ATOM 2192 OE1 GLN B 50 6.941 -17.813 -11.434 1.00 1.37 O ATOM 2193 NE2 GLN B 50 5.497 -18.441 -9.843 1.00 1.60 N ATOM 0 H GLN B 50 8.251 -13.304 -9.848 1.00 0.20 H new ATOM 0 HA GLN B 50 8.274 -14.744 -8.162 1.00 0.30 H new ATOM 0 HB2 GLN B 50 8.673 -16.258 -10.679 1.00 0.53 H new ATOM 0 HB3 GLN B 50 9.112 -17.162 -9.243 1.00 0.53 H new ATOM 0 HG2 GLN B 50 6.917 -16.985 -8.323 1.00 1.05 H new ATOM 0 HG3 GLN B 50 6.457 -15.724 -9.450 1.00 1.05 H new ATOM 0 HE21 GLN B 50 5.148 -18.308 -8.894 1.00 1.60 H new ATOM 0 HE22 GLN B 50 5.084 -19.155 -10.443 1.00 1.60 H new ATOM 2202 N PRO B 51 10.757 -14.340 -7.375 1.00 0.16 N ATOM 2203 CA PRO B 51 12.043 -14.450 -6.675 1.00 0.27 C ATOM 2204 C PRO B 51 12.129 -15.702 -5.803 1.00 0.20 C ATOM 2205 O PRO B 51 13.151 -16.386 -5.776 1.00 0.19 O ATOM 2206 CB PRO B 51 12.101 -13.187 -5.808 1.00 0.48 C ATOM 2207 CG PRO B 51 10.688 -12.714 -5.706 1.00 0.51 C ATOM 2208 CD PRO B 51 10.025 -13.118 -6.992 1.00 0.41 C ATOM 0 HA PRO B 51 12.874 -14.534 -7.376 1.00 0.27 H new ATOM 0 HB2 PRO B 51 12.515 -13.404 -4.823 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.738 -12.428 -6.261 1.00 0.48 H new ATOM 0 HG2 PRO B 51 10.186 -13.164 -4.850 1.00 0.51 H new ATOM 0 HG3 PRO B 51 10.647 -11.634 -5.568 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.961 -13.312 -6.854 1.00 0.41 H new ATOM 0 HD3 PRO B 51 10.112 -12.341 -7.752 1.00 0.41 H new ATOM 2216 N MET B 52 11.048 -15.997 -5.092 1.00 0.17 N ATOM 2217 CA MET B 52 11.001 -17.170 -4.226 1.00 0.11 C ATOM 2218 C MET B 52 10.083 -18.234 -4.810 1.00 0.09 C ATOM 2219 O MET B 52 9.898 -19.292 -4.210 1.00 0.08 O ATOM 2220 CB MET B 52 10.510 -16.791 -2.825 1.00 0.12 C ATOM 2221 CG MET B 52 11.372 -15.752 -2.124 1.00 0.18 C ATOM 2222 SD MET B 52 13.070 -16.304 -1.885 1.00 0.26 S ATOM 2223 CE MET B 52 13.653 -15.092 -0.700 1.00 0.43 C ATOM 0 H MET B 52 10.193 -15.441 -5.097 1.00 0.17 H new ATOM 0 HA MET B 52 12.013 -17.570 -4.155 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.491 -16.411 -2.899 1.00 0.12 H new ATOM 0 HB3 MET B 52 10.471 -17.690 -2.210 1.00 0.12 H new ATOM 0 HG2 MET B 52 11.372 -14.832 -2.708 1.00 0.18 H new ATOM 0 HG3 MET B 52 10.932 -15.514 -1.156 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.694 -15.299 -0.450 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.575 -14.094 -1.132 1.00 0.43 H new ATOM 0 HE3 MET B 52 13.045 -15.145 0.203 1.00 0.43 H new ATOM 2233 N LEU B 53 9.514 -17.936 -5.983 1.00 0.10 N ATOM 2234 CA LEU B 53 8.589 -18.843 -6.666 1.00 0.11 C ATOM 2235 C LEU B 53 7.499 -19.326 -5.714 1.00 0.08 C ATOM 2236 O LEU B 53 7.164 -20.511 -5.676 1.00 0.10 O ATOM 2237 CB LEU B 53 9.351 -20.023 -7.279 1.00 0.19 C ATOM 2238 CG LEU B 53 10.138 -19.678 -8.545 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.430 -20.466 -8.606 1.00 0.62 C ATOM 2240 CD2 LEU B 53 9.297 -19.941 -9.784 1.00 1.07 C ATOM 0 H LEU B 53 9.682 -17.063 -6.483 1.00 0.10 H new ATOM 0 HA LEU B 53 8.104 -18.296 -7.474 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.040 -20.421 -6.534 1.00 0.19 H new ATOM 0 HB3 LEU B 53 8.641 -20.817 -7.512 1.00 0.19 H new ATOM 0 HG LEU B 53 10.386 -18.617 -8.513 1.00 0.25 H new ATOM 0 HD11 LEU B 53 11.973 -20.205 -9.514 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.042 -20.229 -7.736 1.00 0.62 H new ATOM 0 HD13 LEU B 53 11.206 -21.533 -8.612 1.00 0.62 H new ATOM 0 HD21 LEU B 53 9.873 -19.690 -10.675 1.00 1.07 H new ATOM 0 HD22 LEU B 53 9.018 -20.994 -9.817 1.00 1.07 H new ATOM 0 HD23 LEU B 53 8.397 -19.328 -9.749 1.00 1.07 H new ATOM 2252 N ASP B 54 6.955 -18.387 -4.949 1.00 0.09 N ATOM 2253 CA ASP B 54 5.914 -18.683 -3.977 1.00 0.12 C ATOM 2254 C ASP B 54 4.882 -17.558 -3.963 1.00 0.10 C ATOM 2255 O ASP B 54 5.247 -16.380 -3.972 1.00 0.18 O ATOM 2256 CB ASP B 54 6.534 -18.850 -2.586 1.00 0.19 C ATOM 2257 CG ASP B 54 5.635 -19.603 -1.630 1.00 0.24 C ATOM 2258 OD1 ASP B 54 4.685 -20.264 -2.095 1.00 0.26 O ATOM 2259 OD2 ASP B 54 5.881 -19.547 -0.408 1.00 0.28 O1- ATOM 0 H ASP B 54 7.223 -17.403 -4.986 1.00 0.09 H new ATOM 0 HA ASP B 54 5.417 -19.612 -4.255 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.483 -19.378 -2.677 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.755 -17.867 -2.171 1.00 0.19 H new ATOM 2264 N VAL B 55 3.605 -17.925 -3.936 1.00 0.11 N ATOM 2265 CA VAL B 55 2.509 -16.953 -3.952 1.00 0.12 C ATOM 2266 C VAL B 55 2.561 -15.963 -2.775 1.00 0.08 C ATOM 2267 O VAL B 55 2.541 -14.751 -2.995 1.00 0.04 O ATOM 2268 CB VAL B 55 1.127 -17.649 -3.972 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.017 -16.637 -4.218 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.092 -18.743 -5.029 1.00 0.32 C ATOM 0 H VAL B 55 3.298 -18.897 -3.903 1.00 0.11 H new ATOM 0 HA VAL B 55 2.643 -16.386 -4.873 1.00 0.12 H new ATOM 0 HB VAL B 55 0.964 -18.107 -2.996 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.946 -17.148 -4.228 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.023 -15.890 -3.424 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.178 -16.147 -5.178 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.112 -19.220 -5.027 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.281 -18.307 -6.010 1.00 0.32 H new ATOM 0 HG23 VAL B 55 1.858 -19.487 -4.808 1.00 0.32 H new ATOM 2280 N PRO B 56 2.624 -16.440 -1.507 1.00 0.10 N ATOM 2281 CA PRO B 56 2.668 -15.550 -0.336 1.00 0.10 C ATOM 2282 C PRO B 56 3.851 -14.586 -0.360 1.00 0.07 C ATOM 2283 O PRO B 56 3.756 -13.468 0.142 1.00 0.14 O ATOM 2284 CB PRO B 56 2.789 -16.503 0.860 1.00 0.14 C ATOM 2285 CG PRO B 56 3.210 -17.810 0.283 1.00 0.15 C ATOM 2286 CD PRO B 56 2.638 -17.857 -1.103 1.00 0.14 C ATOM 0 HA PRO B 56 1.784 -14.913 -0.302 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.521 -16.138 1.581 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.840 -16.594 1.388 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.297 -17.893 0.259 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.840 -18.639 0.886 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.251 -18.461 -1.772 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.637 -18.289 -1.112 1.00 0.14 H new ATOM 2294 N LYS B 57 4.951 -15.016 -0.965 1.00 0.09 N ATOM 2295 CA LYS B 57 6.154 -14.192 -1.040 1.00 0.06 C ATOM 2296 C LYS B 57 6.005 -13.106 -2.103 1.00 0.07 C ATOM 2297 O LYS B 57 6.776 -12.149 -2.137 1.00 0.12 O ATOM 2298 CB LYS B 57 7.381 -15.058 -1.342 1.00 0.12 C ATOM 2299 CG LYS B 57 7.992 -15.732 -0.114 1.00 0.17 C ATOM 2300 CD LYS B 57 7.030 -16.713 0.536 1.00 0.47 C ATOM 2301 CE LYS B 57 7.754 -17.688 1.455 1.00 0.23 C ATOM 2302 NZ LYS B 57 6.851 -18.776 1.916 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.037 -15.929 -1.411 1.00 0.09 H new ATOM 0 HA LYS B 57 6.293 -13.711 -0.072 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.100 -15.827 -2.062 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.141 -14.438 -1.818 1.00 0.12 H new ATOM 0 HG2 LYS B 57 8.903 -16.256 -0.404 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.279 -14.971 0.612 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.281 -16.164 1.106 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.499 -17.268 -0.237 1.00 0.47 H new ATOM 0 HE2 LYS B 57 8.607 -18.119 0.930 1.00 0.23 H new ATOM 0 HE3 LYS B 57 8.149 -17.151 2.318 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.333 -19.343 2.643 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 5.985 -18.362 2.317 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 6.602 -19.385 1.111 1.00 0.62 H new ATOM 2316 N LEU B 58 5.009 -13.264 -2.966 1.00 0.07 N ATOM 2317 CA LEU B 58 4.750 -12.299 -4.023 1.00 0.11 C ATOM 2318 C LEU B 58 3.761 -11.242 -3.550 1.00 0.11 C ATOM 2319 O LEU B 58 3.951 -10.048 -3.778 1.00 0.14 O ATOM 2320 CB LEU B 58 4.197 -13.007 -5.262 1.00 0.14 C ATOM 2321 CG LEU B 58 4.404 -12.267 -6.583 1.00 0.16 C ATOM 2322 CD1 LEU B 58 5.756 -12.622 -7.179 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.281 -12.587 -7.559 1.00 0.27 C ATOM 0 H LEU B 58 4.366 -14.056 -2.953 1.00 0.07 H new ATOM 0 HA LEU B 58 5.690 -11.811 -4.280 1.00 0.11 H new ATOM 0 HB2 LEU B 58 4.663 -13.989 -5.338 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.129 -13.171 -5.120 1.00 0.14 H new ATOM 0 HG LEU B 58 4.385 -11.195 -6.388 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.890 -12.088 -8.120 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.546 -12.337 -6.484 1.00 0.17 H new ATOM 0 HD13 LEU B 58 5.803 -13.696 -7.361 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.447 -12.050 -8.493 1.00 0.27 H new ATOM 0 HD22 LEU B 58 3.263 -13.659 -7.755 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.327 -12.281 -7.129 1.00 0.27 H new ATOM 2335 N ALA B 59 2.717 -11.699 -2.866 1.00 0.08 N ATOM 2336 CA ALA B 59 1.676 -10.813 -2.358 1.00 0.09 C ATOM 2337 C ALA B 59 2.219 -9.827 -1.326 1.00 0.14 C ATOM 2338 O ALA B 59 1.739 -8.700 -1.217 1.00 0.31 O ATOM 2339 CB ALA B 59 0.539 -11.633 -1.767 1.00 0.07 C ATOM 0 H ALA B 59 2.569 -12.685 -2.650 1.00 0.08 H new ATOM 0 HA ALA B 59 1.299 -10.227 -3.196 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.234 -10.964 -1.390 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.117 -12.278 -2.538 1.00 0.07 H new ATOM 0 HB3 ALA B 59 0.919 -12.246 -0.949 1.00 0.07 H new ATOM 2345 N VAL B 60 3.222 -10.250 -0.568 1.00 0.02 N ATOM 2346 CA VAL B 60 3.819 -9.383 0.442 1.00 0.05 C ATOM 2347 C VAL B 60 4.813 -8.417 -0.204 1.00 0.08 C ATOM 2348 O VAL B 60 5.055 -7.318 0.299 1.00 0.12 O ATOM 2349 CB VAL B 60 4.519 -10.198 1.560 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.781 -10.874 1.045 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.833 -9.310 2.756 1.00 0.13 C ATOM 0 H VAL B 60 3.637 -11.180 -0.631 1.00 0.02 H new ATOM 0 HA VAL B 60 3.011 -8.813 0.901 1.00 0.05 H new ATOM 0 HB VAL B 60 3.832 -10.980 1.882 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.248 -11.437 1.853 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.524 -11.552 0.231 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.476 -10.118 0.681 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.324 -9.901 3.529 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.493 -8.500 2.445 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.907 -8.892 3.152 1.00 0.13 H new ATOM 2361 N LEU B 61 5.361 -8.825 -1.345 1.00 0.08 N ATOM 2362 CA LEU B 61 6.326 -8.014 -2.073 1.00 0.11 C ATOM 2363 C LEU B 61 5.652 -6.770 -2.643 1.00 0.11 C ATOM 2364 O LEU B 61 6.189 -5.664 -2.570 1.00 0.13 O ATOM 2365 CB LEU B 61 6.956 -8.838 -3.197 1.00 0.13 C ATOM 2366 CG LEU B 61 8.137 -8.186 -3.915 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.384 -8.233 -3.044 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.387 -8.872 -5.248 1.00 0.17 C ATOM 0 H LEU B 61 5.150 -9.720 -1.786 1.00 0.08 H new ATOM 0 HA LEU B 61 7.110 -7.697 -1.385 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.287 -9.790 -2.783 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.185 -9.062 -3.934 1.00 0.13 H new ATOM 0 HG LEU B 61 7.894 -7.141 -4.105 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.214 -7.764 -3.572 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.198 -7.698 -2.113 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.634 -9.271 -2.823 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.231 -8.397 -5.749 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.611 -9.925 -5.079 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.499 -8.786 -5.874 1.00 0.17 H new ATOM 2380 N THR B 62 4.463 -6.959 -3.191 1.00 0.10 N ATOM 2381 CA THR B 62 3.703 -5.866 -3.768 1.00 0.09 C ATOM 2382 C THR B 62 3.208 -4.916 -2.685 1.00 0.09 C ATOM 2383 O THR B 62 3.145 -3.705 -2.891 1.00 0.08 O ATOM 2384 CB THR B 62 2.510 -6.411 -4.567 1.00 0.10 C ATOM 2385 OG1 THR B 62 1.842 -7.427 -3.810 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.974 -6.992 -5.890 1.00 0.12 C ATOM 0 H THR B 62 4.002 -7.867 -3.248 1.00 0.10 H new ATOM 0 HA THR B 62 4.362 -5.314 -4.438 1.00 0.09 H new ATOM 0 HB THR B 62 1.823 -5.588 -4.764 1.00 0.10 H new ATOM 0 HG1 THR B 62 0.996 -7.657 -4.247 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.114 -7.373 -6.442 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.466 -6.216 -6.476 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.675 -7.805 -5.704 1.00 0.12 H new ATOM 2394 N ALA B 63 2.873 -5.477 -1.528 1.00 0.10 N ATOM 2395 CA ALA B 63 2.381 -4.697 -0.400 1.00 0.11 C ATOM 2396 C ALA B 63 3.428 -3.709 0.099 1.00 0.11 C ATOM 2397 O ALA B 63 3.142 -2.528 0.276 1.00 0.12 O ATOM 2398 CB ALA B 63 1.965 -5.627 0.730 1.00 0.10 C ATOM 0 H ALA B 63 2.935 -6.479 -1.347 1.00 0.10 H new ATOM 0 HA ALA B 63 1.518 -4.125 -0.740 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.598 -5.037 1.570 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.175 -6.292 0.381 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.823 -6.218 1.049 1.00 0.10 H new ATOM 2404 N VAL B 64 4.643 -4.193 0.308 1.00 0.09 N ATOM 2405 CA VAL B 64 5.715 -3.348 0.811 1.00 0.10 C ATOM 2406 C VAL B 64 6.183 -2.334 -0.239 1.00 0.12 C ATOM 2407 O VAL B 64 6.570 -1.218 0.101 1.00 0.12 O ATOM 2408 CB VAL B 64 6.900 -4.194 1.324 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.672 -4.832 0.179 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.808 -3.358 2.209 1.00 0.11 C ATOM 0 H VAL B 64 4.911 -5.162 0.138 1.00 0.09 H new ATOM 0 HA VAL B 64 5.310 -2.785 1.652 1.00 0.10 H new ATOM 0 HB VAL B 64 6.495 -5.008 1.926 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.498 -5.419 0.580 1.00 0.12 H new ATOM 0 HG12 VAL B 64 7.007 -5.482 -0.390 1.00 0.12 H new ATOM 0 HG13 VAL B 64 8.064 -4.053 -0.474 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.638 -3.971 2.561 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.197 -2.515 1.638 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.242 -2.987 3.064 1.00 0.11 H new ATOM 2420 N GLN B 65 6.118 -2.708 -1.512 1.00 0.15 N ATOM 2421 CA GLN B 65 6.540 -1.808 -2.585 1.00 0.19 C ATOM 2422 C GLN B 65 5.484 -0.733 -2.825 1.00 0.13 C ATOM 2423 O GLN B 65 5.805 0.414 -3.127 1.00 0.16 O ATOM 2424 CB GLN B 65 6.826 -2.575 -3.882 1.00 0.34 C ATOM 2425 CG GLN B 65 8.293 -2.515 -4.306 1.00 0.57 C ATOM 2426 CD GLN B 65 8.681 -1.153 -4.862 1.00 0.79 C ATOM 2427 OE1 GLN B 65 8.604 -0.919 -6.068 1.00 0.98 O ATOM 2428 NE2 GLN B 65 9.092 -0.247 -3.987 1.00 0.80 N ATOM 0 H GLN B 65 5.781 -3.618 -1.827 1.00 0.15 H new ATOM 0 HA GLN B 65 7.467 -1.328 -2.271 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.534 -3.617 -3.752 1.00 0.34 H new ATOM 0 HB3 GLN B 65 6.207 -2.168 -4.681 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.926 -2.748 -3.450 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.482 -3.279 -5.060 1.00 0.57 H new ATOM 0 HE21 GLN B 65 9.141 -0.481 -2.995 1.00 0.80 H new ATOM 0 HE22 GLN B 65 9.359 0.685 -4.305 1.00 0.80 H new ATOM 2437 N ILE B 66 4.220 -1.106 -2.686 1.00 0.15 N ATOM 2438 CA ILE B 66 3.128 -0.163 -2.873 1.00 0.16 C ATOM 2439 C ILE B 66 3.055 0.808 -1.693 1.00 0.11 C ATOM 2440 O ILE B 66 2.547 1.922 -1.819 1.00 0.27 O ATOM 2441 CB ILE B 66 1.773 -0.902 -3.055 1.00 0.27 C ATOM 2442 CG1 ILE B 66 0.942 -0.226 -4.143 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.979 -0.967 -1.755 1.00 0.89 C ATOM 2444 CD1 ILE B 66 1.401 -0.554 -5.545 1.00 1.38 C ATOM 0 H ILE B 66 3.926 -2.053 -2.445 1.00 0.15 H new ATOM 0 HA ILE B 66 3.324 0.405 -3.782 1.00 0.16 H new ATOM 0 HB ILE B 66 1.999 -1.925 -3.356 1.00 0.27 H new ATOM 0 HG12 ILE B 66 -0.100 -0.525 -4.031 1.00 0.64 H new ATOM 0 HG13 ILE B 66 0.981 0.854 -4.000 1.00 0.64 H new ATOM 0 HG21 ILE B 66 0.039 -1.492 -1.928 1.00 0.89 H new ATOM 0 HG22 ILE B 66 1.558 -1.500 -1.001 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.771 0.044 -1.405 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.765 -0.039 -6.266 1.00 1.38 H new ATOM 0 HD12 ILE B 66 2.433 -0.230 -5.675 1.00 1.38 H new ATOM 0 HD13 ILE B 66 1.336 -1.630 -5.707 1.00 1.38 H new ATOM 2456 N ALA B 67 3.595 0.385 -0.556 1.00 0.16 N ATOM 2457 CA ALA B 67 3.578 1.202 0.644 1.00 0.13 C ATOM 2458 C ALA B 67 4.774 2.146 0.716 1.00 0.06 C ATOM 2459 O ALA B 67 4.645 3.262 1.207 1.00 0.09 O ATOM 2460 CB ALA B 67 3.526 0.317 1.880 1.00 0.16 C ATOM 0 H ALA B 67 4.050 -0.521 -0.443 1.00 0.16 H new ATOM 0 HA ALA B 67 2.682 1.821 0.605 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.514 0.941 2.774 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.624 -0.295 1.852 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.403 -0.330 1.901 1.00 0.16 H new ATOM 2466 N SER B 68 5.929 1.712 0.218 1.00 0.08 N ATOM 2467 CA SER B 68 7.134 2.538 0.269 1.00 0.06 C ATOM 2468 C SER B 68 6.969 3.829 -0.523 1.00 0.16 C ATOM 2469 O SER B 68 7.182 4.927 0.001 1.00 0.21 O ATOM 2470 CB SER B 68 8.347 1.752 -0.245 1.00 0.06 C ATOM 2471 OG SER B 68 8.092 1.183 -1.518 1.00 0.28 O ATOM 0 H SER B 68 6.057 0.801 -0.222 1.00 0.08 H new ATOM 0 HA SER B 68 7.300 2.808 1.312 1.00 0.06 H new ATOM 0 HB2 SER B 68 9.211 2.413 -0.307 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.599 0.963 0.464 1.00 0.06 H new ATOM 0 HG SER B 68 8.434 1.779 -2.217 1.00 0.28 H new ATOM 2477 N GLU B 69 6.558 3.692 -1.771 1.00 0.26 N ATOM 2478 CA GLU B 69 6.378 4.833 -2.653 1.00 0.35 C ATOM 2479 C GLU B 69 5.207 5.707 -2.200 1.00 0.24 C ATOM 2480 O GLU B 69 5.239 6.930 -2.344 1.00 0.18 O ATOM 2481 CB GLU B 69 6.144 4.369 -4.099 1.00 0.52 C ATOM 2482 CG GLU B 69 7.144 3.331 -4.608 1.00 0.44 C ATOM 2483 CD GLU B 69 8.581 3.649 -4.237 1.00 1.20 C ATOM 2484 OE1 GLU B 69 9.154 4.604 -4.810 1.00 1.71 O ATOM 2485 OE2 GLU B 69 9.150 2.938 -3.380 1.00 1.60 O1- ATOM 0 H GLU B 69 6.341 2.793 -2.200 1.00 0.26 H new ATOM 0 HA GLU B 69 7.291 5.426 -2.609 1.00 0.35 H new ATOM 0 HB2 GLU B 69 5.139 3.953 -4.174 1.00 0.52 H new ATOM 0 HB3 GLU B 69 6.179 5.239 -4.755 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.880 2.354 -4.204 1.00 0.44 H new ATOM 0 HG3 GLU B 69 7.063 3.260 -5.693 1.00 0.44 H new ATOM 2492 N TYR B 70 4.183 5.081 -1.636 1.00 0.23 N ATOM 2493 CA TYR B 70 2.999 5.811 -1.191 1.00 0.15 C ATOM 2494 C TYR B 70 3.207 6.468 0.171 1.00 0.08 C ATOM 2495 O TYR B 70 2.570 7.475 0.484 1.00 0.12 O ATOM 2496 CB TYR B 70 1.778 4.893 -1.176 1.00 0.24 C ATOM 2497 CG TYR B 70 1.027 4.897 -2.494 1.00 0.32 C ATOM 2498 CD1 TYR B 70 1.699 5.082 -3.696 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.352 4.731 -2.536 1.00 0.57 C ATOM 2500 CE1 TYR B 70 1.021 5.102 -4.899 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.035 4.754 -3.737 1.00 0.56 C ATOM 2502 CZ TYR B 70 -0.345 4.938 -4.914 1.00 0.50 C ATOM 2503 OH TYR B 70 -1.028 4.972 -6.108 1.00 0.59 O ATOM 0 H TYR B 70 4.146 4.074 -1.475 1.00 0.23 H new ATOM 0 HA TYR B 70 2.822 6.614 -1.907 1.00 0.15 H new ATOM 0 HB2 TYR B 70 2.096 3.876 -0.947 1.00 0.24 H new ATOM 0 HB3 TYR B 70 1.104 5.204 -0.378 1.00 0.24 H new ATOM 0 HD1 TYR B 70 2.771 5.213 -3.689 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -0.898 4.582 -1.616 1.00 0.57 H new ATOM 0 HE1 TYR B 70 1.560 5.246 -5.824 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.108 4.628 -3.752 1.00 0.56 H new ATOM 0 HH TYR B 70 -0.998 4.087 -6.527 1.00 0.59 H new ATOM 2513 N LEU B 71 4.101 5.912 0.982 1.00 0.09 N ATOM 2514 CA LEU B 71 4.387 6.490 2.293 1.00 0.17 C ATOM 2515 C LEU B 71 5.176 7.777 2.116 1.00 0.22 C ATOM 2516 O LEU B 71 5.178 8.647 2.984 1.00 0.26 O ATOM 2517 CB LEU B 71 5.156 5.511 3.194 1.00 0.24 C ATOM 2518 CG LEU B 71 4.424 5.118 4.490 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.109 3.950 5.187 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.322 6.307 5.439 1.00 0.32 C ATOM 0 H LEU B 71 4.635 5.072 0.760 1.00 0.09 H new ATOM 0 HA LEU B 71 3.438 6.704 2.785 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.370 4.606 2.625 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.116 5.957 3.456 1.00 0.24 H new ATOM 0 HG LEU B 71 3.418 4.804 4.211 1.00 0.27 H new ATOM 0 HD11 LEU B 71 4.565 3.700 6.098 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.121 3.086 4.523 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.132 4.227 5.440 1.00 0.32 H new ATOM 0 HD21 LEU B 71 3.801 6.004 6.347 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.323 6.656 5.694 1.00 0.32 H new ATOM 0 HD23 LEU B 71 3.769 7.112 4.955 1.00 0.32 H new ATOM 2532 N LYS B 72 5.843 7.891 0.976 1.00 0.23 N ATOM 2533 CA LYS B 72 6.615 9.081 0.663 1.00 0.27 C ATOM 2534 C LYS B 72 5.705 10.180 0.130 1.00 0.24 C ATOM 2535 O LYS B 72 6.070 11.356 0.130 1.00 0.29 O ATOM 2536 CB LYS B 72 7.701 8.758 -0.358 1.00 0.31 C ATOM 2537 CG LYS B 72 9.011 8.334 0.277 1.00 0.38 C ATOM 2538 CD LYS B 72 9.736 9.512 0.936 1.00 0.40 C ATOM 2539 CE LYS B 72 9.664 10.775 0.081 1.00 0.52 C ATOM 2540 NZ LYS B 72 10.624 11.821 0.530 1.00 0.58 N1+ ATOM 0 H LYS B 72 5.864 7.172 0.253 1.00 0.23 H new ATOM 0 HA LYS B 72 7.090 9.433 1.579 1.00 0.27 H new ATOM 0 HB2 LYS B 72 7.349 7.962 -1.014 1.00 0.31 H new ATOM 0 HB3 LYS B 72 7.875 9.634 -0.984 1.00 0.31 H new ATOM 0 HG2 LYS B 72 8.820 7.563 1.023 1.00 0.38 H new ATOM 0 HG3 LYS B 72 9.655 7.890 -0.482 1.00 0.38 H new ATOM 0 HD2 LYS B 72 9.295 9.709 1.913 1.00 0.40 H new ATOM 0 HD3 LYS B 72 10.780 9.247 1.105 1.00 0.40 H new ATOM 0 HE2 LYS B 72 9.870 10.519 -0.958 1.00 0.52 H new ATOM 0 HE3 LYS B 72 8.651 11.176 0.116 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 10.269 12.759 0.255 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 10.725 11.779 1.564 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 11.550 11.657 0.085 1.00 0.58 H new ATOM 2554 N LEU B 73 4.513 9.790 -0.306 1.00 0.17 N ATOM 2555 CA LEU B 73 3.543 10.737 -0.838 1.00 0.14 C ATOM 2556 C LEU B 73 3.076 11.672 0.277 1.00 0.11 C ATOM 2557 O LEU B 73 3.046 12.892 0.109 1.00 0.09 O ATOM 2558 CB LEU B 73 2.355 9.982 -1.463 1.00 0.13 C ATOM 2559 CG LEU B 73 1.471 10.759 -2.461 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.578 11.763 -1.751 1.00 0.08 C ATOM 2561 CD2 LEU B 73 2.305 11.454 -3.527 1.00 0.15 C ATOM 0 H LEU B 73 4.195 8.821 -0.301 1.00 0.17 H new ATOM 0 HA LEU B 73 4.009 11.337 -1.620 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.745 9.101 -1.973 1.00 0.13 H new ATOM 0 HB3 LEU B 73 1.718 9.626 -0.654 1.00 0.13 H new ATOM 0 HG LEU B 73 0.834 10.025 -2.955 1.00 0.12 H new ATOM 0 HD11 LEU B 73 -0.030 12.292 -2.485 1.00 0.08 H new ATOM 0 HD12 LEU B 73 -0.072 11.240 -1.050 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.195 12.479 -1.208 1.00 0.08 H new ATOM 0 HD21 LEU B 73 1.647 11.990 -4.211 1.00 0.15 H new ATOM 0 HD22 LEU B 73 2.988 12.159 -3.053 1.00 0.15 H new ATOM 0 HD23 LEU B 73 2.878 10.711 -4.082 1.00 0.15 H new ATOM 2573 N LYS B 74 2.740 11.093 1.428 1.00 0.11 N ATOM 2574 CA LYS B 74 2.283 11.882 2.566 1.00 0.10 C ATOM 2575 C LYS B 74 3.431 12.721 3.124 1.00 0.13 C ATOM 2576 O LYS B 74 3.211 13.799 3.673 1.00 0.13 O ATOM 2577 CB LYS B 74 1.681 10.989 3.660 1.00 0.12 C ATOM 2578 CG LYS B 74 2.673 10.046 4.322 1.00 0.20 C ATOM 2579 CD LYS B 74 2.131 9.484 5.631 1.00 0.28 C ATOM 2580 CE LYS B 74 1.005 8.487 5.399 1.00 0.32 C ATOM 2581 NZ LYS B 74 0.492 7.917 6.673 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.776 10.087 1.595 1.00 0.11 H new ATOM 0 HA LYS B 74 1.497 12.552 2.218 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.237 11.624 4.426 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.873 10.400 3.226 1.00 0.12 H new ATOM 0 HG2 LYS B 74 2.904 9.226 3.642 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.607 10.575 4.512 1.00 0.20 H new ATOM 0 HD2 LYS B 74 2.938 8.998 6.179 1.00 0.28 H new ATOM 0 HD3 LYS B 74 1.769 10.301 6.255 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.190 8.978 4.868 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.362 7.680 4.759 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 -0.273 7.243 6.469 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 1.263 7.425 7.169 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 0.127 8.683 7.274 1.00 0.43 H new ATOM 2595 N GLU B 75 4.656 12.228 2.962 1.00 0.17 N ATOM 2596 CA GLU B 75 5.832 12.946 3.432 1.00 0.20 C ATOM 2597 C GLU B 75 6.002 14.219 2.613 1.00 0.16 C ATOM 2598 O GLU B 75 6.253 15.298 3.153 1.00 0.20 O ATOM 2599 CB GLU B 75 7.076 12.066 3.307 1.00 0.27 C ATOM 2600 CG GLU B 75 8.270 12.579 4.092 1.00 0.36 C ATOM 2601 CD GLU B 75 9.560 11.886 3.714 1.00 0.45 C ATOM 2602 OE1 GLU B 75 9.714 10.688 4.022 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 10.429 12.534 3.090 1.00 0.55 O ATOM 0 H GLU B 75 4.858 11.336 2.510 1.00 0.17 H new ATOM 0 HA GLU B 75 5.701 13.206 4.482 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.834 11.060 3.648 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.351 11.988 2.255 1.00 0.27 H new ATOM 0 HG2 GLU B 75 8.376 13.651 3.925 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.086 12.439 5.157 1.00 0.36 H new ATOM 2610 N GLU B 76 5.846 14.074 1.302 1.00 0.13 N ATOM 2611 CA GLU B 76 5.949 15.195 0.380 1.00 0.11 C ATOM 2612 C GLU B 76 4.855 16.215 0.687 1.00 0.08 C ATOM 2613 O GLU B 76 5.097 17.424 0.710 1.00 0.08 O ATOM 2614 CB GLU B 76 5.816 14.685 -1.062 1.00 0.17 C ATOM 2615 CG GLU B 76 5.956 15.760 -2.129 1.00 0.18 C ATOM 2616 CD GLU B 76 7.357 16.329 -2.209 1.00 0.21 C ATOM 2617 OE1 GLU B 76 8.331 15.547 -2.151 1.00 0.20 O ATOM 2618 OE2 GLU B 76 7.489 17.562 -2.345 1.00 0.34 O1- ATOM 0 H GLU B 76 5.646 13.181 0.852 1.00 0.13 H new ATOM 0 HA GLU B 76 6.919 15.678 0.496 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.573 13.920 -1.234 1.00 0.17 H new ATOM 0 HB3 GLU B 76 4.845 14.204 -1.175 1.00 0.17 H new ATOM 0 HG2 GLU B 76 5.683 15.342 -3.098 1.00 0.18 H new ATOM 0 HG3 GLU B 76 5.253 16.566 -1.920 1.00 0.18 H new ATOM 2625 N TYR B 77 3.660 15.697 0.953 1.00 0.07 N ATOM 2626 CA TYR B 77 2.500 16.518 1.269 1.00 0.11 C ATOM 2627 C TYR B 77 2.763 17.407 2.482 1.00 0.13 C ATOM 2628 O TYR B 77 2.655 18.630 2.397 1.00 0.22 O ATOM 2629 CB TYR B 77 1.283 15.618 1.521 1.00 0.13 C ATOM 2630 CG TYR B 77 0.044 16.354 1.998 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.584 17.292 1.189 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -0.499 16.104 3.254 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -1.717 17.961 1.615 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -1.632 16.768 3.687 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.236 17.696 2.865 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.366 18.358 3.293 1.00 0.23 O ATOM 0 H TYR B 77 3.470 14.695 0.955 1.00 0.07 H new ATOM 0 HA TYR B 77 2.298 17.169 0.419 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.043 15.087 0.600 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.551 14.865 2.262 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.180 17.503 0.210 1.00 0.12 H new ATOM 0 HD2 TYR B 77 -0.028 15.379 3.902 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -2.193 18.687 0.972 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -2.042 16.561 4.664 1.00 0.25 H new ATOM 0 HH TYR B 77 -3.601 18.055 4.195 1.00 0.23 H new ATOM 2646 N GLN B 78 3.123 16.788 3.600 1.00 0.22 N ATOM 2647 CA GLN B 78 3.387 17.525 4.832 1.00 0.30 C ATOM 2648 C GLN B 78 4.531 18.516 4.650 1.00 0.37 C ATOM 2649 O GLN B 78 4.482 19.633 5.161 1.00 0.84 O ATOM 2650 CB GLN B 78 3.720 16.566 5.979 1.00 0.28 C ATOM 2651 CG GLN B 78 2.622 15.557 6.280 1.00 0.17 C ATOM 2652 CD GLN B 78 2.857 14.798 7.574 1.00 0.26 C ATOM 2653 OE1 GLN B 78 3.992 14.645 8.028 1.00 0.53 O ATOM 2654 NE2 GLN B 78 1.782 14.305 8.171 1.00 0.24 N ATOM 0 H GLN B 78 3.239 15.778 3.680 1.00 0.22 H new ATOM 0 HA GLN B 78 2.481 18.079 5.079 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.636 16.029 5.735 1.00 0.28 H new ATOM 0 HB3 GLN B 78 3.921 17.148 6.879 1.00 0.28 H new ATOM 0 HG2 GLN B 78 1.665 16.075 6.337 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.552 14.847 5.456 1.00 0.17 H new ATOM 0 HE21 GLN B 78 0.859 14.453 7.763 1.00 0.24 H new ATOM 0 HE22 GLN B 78 1.877 13.777 9.038 1.00 0.24 H new ATOM 2663 N ARG B 79 5.545 18.102 3.903 1.00 0.28 N ATOM 2664 CA ARG B 79 6.721 18.926 3.654 1.00 0.30 C ATOM 2665 C ARG B 79 6.362 20.256 2.990 1.00 0.27 C ATOM 2666 O ARG B 79 6.717 21.322 3.494 1.00 0.23 O ATOM 2667 CB ARG B 79 7.720 18.159 2.782 1.00 0.34 C ATOM 2668 CG ARG B 79 9.060 18.859 2.615 1.00 0.63 C ATOM 2669 CD ARG B 79 9.805 18.969 3.936 1.00 0.85 C ATOM 2670 NE ARG B 79 9.801 20.335 4.457 1.00 1.45 N ATOM 2671 CZ ARG B 79 10.680 21.272 4.106 1.00 1.28 C ATOM 2672 NH1 ARG B 79 11.638 21.002 3.226 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 10.601 22.479 4.647 1.00 2.05 N ATOM 0 H ARG B 79 5.576 17.187 3.453 1.00 0.28 H new ATOM 0 HA ARG B 79 7.173 19.154 4.619 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.888 17.175 3.220 1.00 0.34 H new ATOM 0 HB3 ARG B 79 7.280 17.999 1.798 1.00 0.34 H new ATOM 0 HG2 ARG B 79 9.670 18.310 1.898 1.00 0.63 H new ATOM 0 HG3 ARG B 79 8.901 19.855 2.203 1.00 0.63 H new ATOM 0 HD2 ARG B 79 9.348 18.301 4.666 1.00 0.85 H new ATOM 0 HD3 ARG B 79 10.834 18.636 3.800 1.00 0.85 H new ATOM 0 HE ARG B 79 9.079 20.586 5.132 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.704 20.071 2.814 1.00 0.73 H new ATOM 0 HH12 ARG B 79 12.307 21.725 2.963 1.00 0.73 H new ATOM 0 HH21 ARG B 79 9.870 22.686 5.328 1.00 2.05 H new ATOM 0 HH22 ARG B 79 11.271 23.201 4.383 1.00 2.05 H new ATOM 2687 N LEU B 80 5.641 20.198 1.875 1.00 0.30 N ATOM 2688 CA LEU B 80 5.277 21.412 1.144 1.00 0.28 C ATOM 2689 C LEU B 80 4.213 22.229 1.874 1.00 0.23 C ATOM 2690 O LEU B 80 4.109 23.440 1.683 1.00 0.28 O ATOM 2691 CB LEU B 80 4.795 21.065 -0.269 1.00 0.31 C ATOM 2692 CG LEU B 80 3.389 20.457 -0.352 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.377 21.483 -0.846 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.378 19.230 -1.253 1.00 0.44 C ATOM 0 H LEU B 80 5.298 19.332 1.458 1.00 0.30 H new ATOM 0 HA LEU B 80 6.175 22.026 1.078 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.818 21.971 -0.875 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.502 20.365 -0.715 1.00 0.31 H new ATOM 0 HG LEU B 80 3.103 20.149 0.654 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.389 21.025 -0.895 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.351 22.329 -0.159 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.666 21.830 -1.838 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.370 18.818 -1.295 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.696 19.513 -2.256 1.00 0.44 H new ATOM 0 HD23 LEU B 80 4.060 18.479 -0.854 1.00 0.44 H new ATOM 2706 N ARG B 81 3.422 21.574 2.708 1.00 0.20 N ATOM 2707 CA ARG B 81 2.367 22.265 3.433 1.00 0.15 C ATOM 2708 C ARG B 81 2.904 23.000 4.658 1.00 0.15 C ATOM 2709 O ARG B 81 2.454 24.106 4.962 1.00 0.43 O ATOM 2710 CB ARG B 81 1.260 21.289 3.825 1.00 0.22 C ATOM 2711 CG ARG B 81 0.469 20.779 2.630 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.764 21.630 2.339 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.519 23.072 2.486 1.00 1.05 N ATOM 2714 CZ ARG B 81 -1.264 23.891 3.241 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.263 23.410 3.974 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -0.989 25.191 3.282 1.00 2.12 N ATOM 0 H ARG B 81 3.488 20.574 2.899 1.00 0.20 H new ATOM 0 HA ARG B 81 1.948 23.018 2.765 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.699 20.442 4.352 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.580 21.780 4.522 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.113 20.766 1.751 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.161 19.750 2.815 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.106 21.428 1.324 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.569 21.334 3.012 1.00 0.65 H new ATOM 0 HE ARG B 81 0.270 23.476 1.980 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.467 22.411 3.965 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.825 24.040 4.546 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -0.211 25.565 2.739 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -1.556 25.814 3.857 1.00 2.12 H new ATOM 2730 N GLU B 82 3.872 22.409 5.347 1.00 0.39 N ATOM 2731 CA GLU B 82 4.434 23.048 6.531 1.00 0.44 C ATOM 2732 C GLU B 82 5.327 24.223 6.141 1.00 0.34 C ATOM 2733 O GLU B 82 5.390 25.226 6.851 1.00 0.27 O ATOM 2734 CB GLU B 82 5.196 22.032 7.398 1.00 0.69 C ATOM 2735 CG GLU B 82 6.493 21.518 6.791 1.00 0.48 C ATOM 2736 CD GLU B 82 7.708 22.298 7.248 1.00 0.92 C ATOM 2737 OE1 GLU B 82 7.622 23.006 8.270 1.00 1.27 O ATOM 2738 OE2 GLU B 82 8.760 22.204 6.583 1.00 1.70 O1- ATOM 0 H GLU B 82 4.279 21.504 5.112 1.00 0.39 H new ATOM 0 HA GLU B 82 3.610 23.438 7.128 1.00 0.44 H new ATOM 0 HB2 GLU B 82 5.420 22.493 8.360 1.00 0.69 H new ATOM 0 HB3 GLU B 82 4.542 21.182 7.596 1.00 0.69 H new ATOM 0 HG2 GLU B 82 6.621 20.468 7.055 1.00 0.48 H new ATOM 0 HG3 GLU B 82 6.424 21.567 5.704 1.00 0.48 H new ATOM 2745 N GLN B 83 5.985 24.116 4.988 1.00 0.35 N ATOM 2746 CA GLN B 83 6.866 25.180 4.513 1.00 0.31 C ATOM 2747 C GLN B 83 6.055 26.328 3.917 1.00 0.28 C ATOM 2748 O GLN B 83 6.611 27.298 3.406 1.00 0.30 O ATOM 2749 CB GLN B 83 7.869 24.643 3.485 1.00 0.36 C ATOM 2750 CG GLN B 83 7.242 24.247 2.159 1.00 0.39 C ATOM 2751 CD GLN B 83 8.232 23.575 1.222 1.00 0.29 C ATOM 2752 OE1 GLN B 83 9.209 22.969 1.655 1.00 0.45 O ATOM 2753 NE2 GLN B 83 7.980 23.670 -0.072 1.00 0.89 N ATOM 0 H GLN B 83 5.925 23.308 4.369 1.00 0.35 H new ATOM 0 HA GLN B 83 7.424 25.560 5.369 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.629 25.403 3.303 1.00 0.36 H new ATOM 0 HB3 GLN B 83 8.378 23.777 3.908 1.00 0.36 H new ATOM 0 HG2 GLN B 83 6.406 23.572 2.344 1.00 0.39 H new ATOM 0 HG3 GLN B 83 6.834 25.134 1.675 1.00 0.39 H new ATOM 0 HE21 GLN B 83 7.159 24.181 -0.395 1.00 0.89 H new ATOM 0 HE22 GLN B 83 8.607 23.232 -0.747 1.00 0.89 H new ATOM 2762 N LEU B 84 4.738 26.208 3.988 1.00 0.27 N ATOM 2763 CA LEU B 84 3.842 27.235 3.478 1.00 0.26 C ATOM 2764 C LEU B 84 3.365 28.121 4.625 1.00 0.19 C ATOM 2765 O LEU B 84 2.541 29.020 4.437 1.00 0.26 O ATOM 2766 CB LEU B 84 2.639 26.591 2.774 1.00 0.39 C ATOM 2767 CG LEU B 84 2.417 26.981 1.302 1.00 0.50 C ATOM 2768 CD1 LEU B 84 2.197 28.482 1.146 1.00 0.62 C ATOM 2769 CD2 LEU B 84 3.576 26.519 0.428 1.00 1.24 C ATOM 0 H LEU B 84 4.263 25.403 4.397 1.00 0.27 H new ATOM 0 HA LEU B 84 4.382 27.847 2.755 1.00 0.26 H new ATOM 0 HB2 LEU B 84 2.752 25.508 2.827 1.00 0.39 H new ATOM 0 HB3 LEU B 84 1.739 26.845 3.334 1.00 0.39 H new ATOM 0 HG LEU B 84 1.512 26.473 0.968 1.00 0.50 H new ATOM 0 HD11 LEU B 84 2.044 28.720 0.093 1.00 0.62 H new ATOM 0 HD12 LEU B 84 1.319 28.782 1.717 1.00 0.62 H new ATOM 0 HD13 LEU B 84 3.071 29.018 1.516 1.00 0.62 H new ATOM 0 HD21 LEU B 84 3.390 26.809 -0.606 1.00 1.24 H new ATOM 0 HD22 LEU B 84 4.500 26.982 0.774 1.00 1.24 H new ATOM 0 HD23 LEU B 84 3.668 25.435 0.490 1.00 1.24 H new ATOM 2781 N LYS B 85 3.883 27.853 5.818 1.00 0.35 N ATOM 2782 CA LYS B 85 3.518 28.624 6.998 1.00 0.59 C ATOM 2783 C LYS B 85 4.472 29.797 7.191 1.00 0.72 C ATOM 2784 O LYS B 85 4.077 30.853 7.680 1.00 0.98 O ATOM 2785 CB LYS B 85 3.524 27.735 8.244 1.00 0.69 C ATOM 2786 CG LYS B 85 2.533 26.581 8.177 1.00 0.66 C ATOM 2787 CD LYS B 85 2.330 25.917 9.533 1.00 0.84 C ATOM 2788 CE LYS B 85 3.429 24.914 9.859 1.00 1.01 C ATOM 2789 NZ LYS B 85 4.707 25.575 10.221 1.00 1.80 N1+ ATOM 0 H LYS B 85 4.557 27.108 5.993 1.00 0.35 H new ATOM 0 HA LYS B 85 2.511 29.014 6.849 1.00 0.59 H new ATOM 0 HB2 LYS B 85 4.527 27.333 8.388 1.00 0.69 H new ATOM 0 HB3 LYS B 85 3.297 28.347 9.117 1.00 0.69 H new ATOM 0 HG2 LYS B 85 1.576 26.948 7.807 1.00 0.66 H new ATOM 0 HG3 LYS B 85 2.889 25.840 7.461 1.00 0.66 H new ATOM 0 HD2 LYS B 85 2.299 26.683 10.308 1.00 0.84 H new ATOM 0 HD3 LYS B 85 1.365 25.411 9.546 1.00 0.84 H new ATOM 0 HE2 LYS B 85 3.105 24.279 10.684 1.00 1.01 H new ATOM 0 HE3 LYS B 85 3.590 24.263 9.000 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 5.176 25.034 10.975 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 5.326 25.614 9.386 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 4.516 26.541 10.556 1.00 1.80 H new ATOM 2803 N LYS B 86 5.721 29.608 6.794 1.00 0.59 N ATOM 2804 CA LYS B 86 6.735 30.642 6.921 1.00 0.82 C ATOM 2805 C LYS B 86 7.324 30.965 5.559 1.00 0.82 C ATOM 2806 O LYS B 86 7.429 32.162 5.218 1.00 1.02 O ATOM 2807 CB LYS B 86 7.841 30.191 7.878 1.00 1.00 C ATOM 2808 CG LYS B 86 7.534 30.465 9.340 1.00 1.09 C ATOM 2809 CD LYS B 86 7.796 31.921 9.701 1.00 1.23 C ATOM 2810 CE LYS B 86 7.411 32.219 11.143 1.00 1.10 C ATOM 2811 NZ LYS B 86 8.250 31.469 12.115 1.00 0.86 N1+ ATOM 0 H LYS B 86 6.058 28.740 6.378 1.00 0.59 H new ATOM 0 HA LYS B 86 6.268 31.539 7.327 1.00 0.82 H new ATOM 0 HB2 LYS B 86 8.010 29.122 7.746 1.00 1.00 H new ATOM 0 HB3 LYS B 86 8.769 30.696 7.610 1.00 1.00 H new ATOM 0 HG2 LYS B 86 6.492 30.219 9.546 1.00 1.09 H new ATOM 0 HG3 LYS B 86 8.145 29.817 9.969 1.00 1.09 H new ATOM 0 HD2 LYS B 86 8.851 32.149 9.551 1.00 1.23 H new ATOM 0 HD3 LYS B 86 7.231 32.570 9.032 1.00 1.23 H new ATOM 0 HE2 LYS B 86 7.509 33.288 11.330 1.00 1.10 H new ATOM 0 HE3 LYS B 86 6.363 31.964 11.298 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 8.022 31.778 13.081 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 8.061 30.450 12.024 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 9.255 31.653 11.921 1.00 0.86 H new TER 2825 LYS B 86