USER MOD reduce.3.24.130724 H: found=0, std=0, add=1419, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1415 hydrogens (21 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 92 HIS : no HE2:sc= -0.0378 K(o=-1.1,f=-8.4!) USER MOD Set 1.2: A 94 MET CE :methyl -119:sc= -0.778 (180deg=-1.61) USER MOD Set 1.3: A 121 GLN : amide:sc= -0.31 K(o=-1.1,f=-7.1!) USER MOD Set 2.1: A 42 TYR OH : rot 65:sc= 0.207 USER MOD Set 2.2: A 62 ASN : amide:sc= 0.00452 K(o=0.21,f=-0.81) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.02 (180deg=0.293) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= 0.0212 (180deg=-0.426) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 80:sc= 0.662 USER MOD Single : A 13 MET CE :methyl 138:sc= -0.888 (180deg=-2.8!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -176:sc= -1.08 (180deg=-1.11) USER MOD Single : A 22 THR OG1 : rot -79:sc= 1.32 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 35 GLN : amide:sc= 1.16 K(o=1.2,f=-0.39) USER MOD Single : A 36 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.0077) USER MOD Single : A 39 TYR OH : rot 166:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -148:sc= 1.02 USER MOD Single : A 45 CYS SG : rot 180:sc=-0.000883 USER MOD Single : A 48 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 1.14 (180deg=1.02) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -149:sc= 1.41 USER MOD Single : A 63 TYR OH : rot -142:sc= 0.065 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -43:sc= 0.105 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.373 K(o=0.37,f=-7.4!) USER MOD Single : A 87 ASN :FLIP amide:sc= 0.561 F(o=0,f=0.56) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.175 K(o=0.18,f=-4.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.976 K(o=0.98,f=-0.097) USER MOD Single : A 113 HIS : no HE2:sc= -0.357 K(o=-0.36,f=-2.5!) USER MOD Single : A 120 THR OG1 : rot -100:sc= 0.535 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 175:sc= 0 (180deg=-0.0649) USER MOD Single : A 134 SER OG : rot -125:sc= 0.457 USER MOD Single : A 136 SER OG : rot 98:sc= 1.23 USER MOD Single : A 138 CYS SG : rot -74:sc= 0.35 USER MOD Single : A 139 SER OG : rot 180:sc= 0.515 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0.734 K(o=0.73,f=-0.38) USER MOD Single : A 153 LYS NZ :NH3+ -172:sc= 1.11 (180deg=1.06) USER MOD Single : A 154 MET CE :methyl 171:sc= -0.188 (180deg=-0.279) USER MOD Single : A 155 GLN : amide:sc= 0.987 K(o=0.99,f=-8!) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 163 MET CE :methyl 155:sc= 0 (180deg=-0.526) USER MOD Single : A 166 MET CE :methyl 167:sc= -0.0917 (180deg=-0.547) USER MOD Single : A 169 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.285 29.167 6.202 1.00 8.10 N ATOM 2 CA MET A 1 6.506 28.972 7.658 1.00 6.97 C ATOM 3 C MET A 1 5.201 28.564 8.333 1.00 6.27 C ATOM 4 O MET A 1 4.148 29.132 8.043 1.00 7.05 O ATOM 5 CB MET A 1 7.056 30.226 8.372 1.00 7.17 C ATOM 6 CG MET A 1 8.460 30.665 7.939 1.00 8.19 C ATOM 7 SD MET A 1 8.579 31.418 6.290 1.00 9.51 S ATOM 8 CE MET A 1 10.275 32.053 6.372 1.00 10.44 C ATOM 0 H1 MET A 1 6.923 29.910 5.850 1.00 8.10 H new ATOM 0 H2 MET A 1 6.479 28.278 5.699 1.00 8.10 H new ATOM 0 H3 MET A 1 5.298 29.451 6.036 1.00 8.10 H new ATOM 0 HA MET A 1 7.258 28.188 7.745 1.00 6.97 H new ATOM 0 HB2 MET A 1 6.366 31.053 8.201 1.00 7.17 H new ATOM 0 HB3 MET A 1 7.068 30.037 9.445 1.00 7.17 H new ATOM 0 HG2 MET A 1 8.839 31.378 8.671 1.00 8.19 H new ATOM 0 HG3 MET A 1 9.117 29.796 7.969 1.00 8.19 H new ATOM 0 HE1 MET A 1 10.522 32.552 5.435 1.00 10.44 H new ATOM 0 HE2 MET A 1 10.358 32.764 7.194 1.00 10.44 H new ATOM 0 HE3 MET A 1 10.966 31.226 6.536 1.00 10.44 H new ATOM 20 N SER A 2 5.264 27.619 9.268 1.00 5.26 N ATOM 21 CA SER A 2 4.125 27.146 10.069 1.00 4.76 C ATOM 22 C SER A 2 4.619 26.289 11.250 1.00 3.64 C ATOM 23 O SER A 2 5.586 25.530 11.133 1.00 4.47 O ATOM 24 CB SER A 2 3.092 26.400 9.205 1.00 5.98 C ATOM 25 OG SER A 2 3.691 25.412 8.372 1.00 7.09 O ATOM 0 H SER A 2 6.135 27.142 9.501 1.00 5.26 H new ATOM 0 HA SER A 2 3.612 28.016 10.479 1.00 4.76 H new ATOM 0 HB2 SER A 2 2.355 25.926 9.853 1.00 5.98 H new ATOM 0 HB3 SER A 2 2.556 27.118 8.584 1.00 5.98 H new ATOM 0 HG SER A 2 2.997 24.964 7.844 1.00 7.09 H new ATOM 31 N ASP A 3 3.996 26.459 12.419 1.00 2.51 N ATOM 32 CA ASP A 3 4.586 26.109 13.724 1.00 2.38 C ATOM 33 C ASP A 3 4.004 24.809 14.327 1.00 2.49 C ATOM 34 O ASP A 3 4.172 24.546 15.519 1.00 3.56 O ATOM 35 CB ASP A 3 4.394 27.302 14.682 1.00 2.94 C ATOM 36 CG ASP A 3 4.692 28.668 14.036 1.00 3.47 C ATOM 37 OD1 ASP A 3 5.872 29.093 14.026 1.00 4.12 O ATOM 38 OD2 ASP A 3 3.734 29.313 13.544 1.00 4.08 O ATOM 0 H ASP A 3 3.056 26.848 12.492 1.00 2.51 H new ATOM 0 HA ASP A 3 5.647 25.908 13.576 1.00 2.38 H new ATOM 0 HB2 ASP A 3 3.368 27.300 15.050 1.00 2.94 H new ATOM 0 HB3 ASP A 3 5.043 27.170 15.548 1.00 2.94 H new ATOM 43 N LYS A 4 3.262 24.049 13.510 1.00 1.87 N ATOM 44 CA LYS A 4 2.330 22.958 13.880 1.00 1.79 C ATOM 45 C LYS A 4 1.552 22.341 12.693 1.00 1.61 C ATOM 46 O LYS A 4 0.709 21.471 12.910 1.00 1.58 O ATOM 47 CB LYS A 4 1.345 23.442 14.973 1.00 1.91 C ATOM 48 CG LYS A 4 0.470 24.627 14.516 1.00 2.59 C ATOM 49 CD LYS A 4 -0.209 25.373 15.676 1.00 2.64 C ATOM 50 CE LYS A 4 0.648 26.514 16.260 1.00 3.49 C ATOM 51 NZ LYS A 4 1.800 26.041 17.074 1.00 3.94 N ATOM 0 H LYS A 4 3.295 24.185 12.500 1.00 1.87 H new ATOM 0 HA LYS A 4 2.959 22.155 14.264 1.00 1.79 H new ATOM 0 HB2 LYS A 4 0.700 22.613 15.265 1.00 1.91 H new ATOM 0 HB3 LYS A 4 1.909 23.735 15.858 1.00 1.91 H new ATOM 0 HG2 LYS A 4 1.087 25.329 13.955 1.00 2.59 H new ATOM 0 HG3 LYS A 4 -0.296 24.260 13.833 1.00 2.59 H new ATOM 0 HD2 LYS A 4 -1.157 25.783 15.328 1.00 2.64 H new ATOM 0 HD3 LYS A 4 -0.441 24.662 16.469 1.00 2.64 H new ATOM 0 HE2 LYS A 4 1.021 27.131 15.443 1.00 3.49 H new ATOM 0 HE3 LYS A 4 0.016 27.152 16.878 1.00 3.49 H new ATOM 0 HZ1 LYS A 4 2.154 26.823 17.661 1.00 3.94 H new ATOM 0 HZ2 LYS A 4 1.494 25.259 17.687 1.00 3.94 H new ATOM 0 HZ3 LYS A 4 2.558 25.710 16.443 1.00 3.94 H new ATOM 65 N ASP A 5 1.771 22.761 11.441 1.00 1.58 N ATOM 66 CA ASP A 5 0.961 22.312 10.292 1.00 1.43 C ATOM 67 C ASP A 5 1.082 20.805 10.027 1.00 1.36 C ATOM 68 O ASP A 5 0.101 20.163 9.668 1.00 1.33 O ATOM 69 CB ASP A 5 1.364 23.106 9.047 1.00 1.54 C ATOM 70 CG ASP A 5 0.535 22.718 7.811 1.00 2.33 C ATOM 71 OD1 ASP A 5 -0.642 23.141 7.728 1.00 3.05 O ATOM 72 OD2 ASP A 5 1.073 22.019 6.921 1.00 2.97 O ATOM 0 H ASP A 5 2.510 23.419 11.192 1.00 1.58 H new ATOM 0 HA ASP A 5 -0.085 22.498 10.536 1.00 1.43 H new ATOM 0 HB2 ASP A 5 1.242 24.171 9.243 1.00 1.54 H new ATOM 0 HB3 ASP A 5 2.421 22.939 8.839 1.00 1.54 H new ATOM 77 N PHE A 6 2.256 20.228 10.279 1.00 1.39 N ATOM 78 CA PHE A 6 2.531 18.788 10.214 1.00 1.41 C ATOM 79 C PHE A 6 1.677 17.997 11.223 1.00 1.38 C ATOM 80 O PHE A 6 1.099 16.971 10.868 1.00 1.38 O ATOM 81 CB PHE A 6 4.050 18.559 10.411 1.00 1.50 C ATOM 82 CG PHE A 6 4.793 19.681 11.127 1.00 2.93 C ATOM 83 CD1 PHE A 6 4.843 19.729 12.533 1.00 3.37 C ATOM 84 CD2 PHE A 6 5.349 20.736 10.375 1.00 4.95 C ATOM 85 CE1 PHE A 6 5.434 20.829 13.181 1.00 5.43 C ATOM 86 CE2 PHE A 6 5.933 21.839 11.023 1.00 7.01 C ATOM 87 CZ PHE A 6 5.973 21.887 12.427 1.00 7.17 C ATOM 0 H PHE A 6 3.077 20.771 10.545 1.00 1.39 H new ATOM 0 HA PHE A 6 2.247 18.408 9.233 1.00 1.41 H new ATOM 0 HB2 PHE A 6 4.191 17.636 10.973 1.00 1.50 H new ATOM 0 HB3 PHE A 6 4.508 18.409 9.433 1.00 1.50 H new ATOM 0 HD1 PHE A 6 4.427 18.920 13.115 1.00 3.37 H new ATOM 0 HD2 PHE A 6 5.326 20.697 9.296 1.00 4.95 H new ATOM 0 HE1 PHE A 6 5.474 20.861 14.260 1.00 5.43 H new ATOM 0 HE2 PHE A 6 6.350 22.648 10.442 1.00 7.01 H new ATOM 0 HZ PHE A 6 6.417 22.735 12.926 1.00 7.17 H new ATOM 97 N PHE A 7 1.552 18.495 12.457 1.00 1.37 N ATOM 98 CA PHE A 7 0.667 17.960 13.502 1.00 1.32 C ATOM 99 C PHE A 7 -0.809 18.163 13.142 1.00 1.25 C ATOM 100 O PHE A 7 -1.618 17.255 13.305 1.00 1.18 O ATOM 101 CB PHE A 7 1.007 18.671 14.827 1.00 1.40 C ATOM 102 CG PHE A 7 -0.058 18.563 15.905 1.00 1.35 C ATOM 103 CD1 PHE A 7 -0.162 17.408 16.703 1.00 2.36 C ATOM 104 CD2 PHE A 7 -0.970 19.623 16.091 1.00 1.76 C ATOM 105 CE1 PHE A 7 -1.168 17.317 17.683 1.00 2.33 C ATOM 106 CE2 PHE A 7 -1.976 19.530 17.068 1.00 1.80 C ATOM 107 CZ PHE A 7 -2.074 18.377 17.866 1.00 1.37 C ATOM 0 H PHE A 7 2.081 19.309 12.769 1.00 1.37 H new ATOM 0 HA PHE A 7 0.825 16.886 13.599 1.00 1.32 H new ATOM 0 HB2 PHE A 7 1.938 18.258 15.215 1.00 1.40 H new ATOM 0 HB3 PHE A 7 1.188 19.726 14.620 1.00 1.40 H new ATOM 0 HD1 PHE A 7 0.531 16.591 16.563 1.00 2.36 H new ATOM 0 HD2 PHE A 7 -0.895 20.510 15.480 1.00 1.76 H new ATOM 0 HE1 PHE A 7 -1.244 16.431 18.296 1.00 2.33 H new ATOM 0 HE2 PHE A 7 -2.673 20.343 17.205 1.00 1.80 H new ATOM 0 HZ PHE A 7 -2.845 18.305 18.619 1.00 1.37 H new ATOM 117 N SER A 8 -1.167 19.344 12.649 1.00 1.29 N ATOM 118 CA SER A 8 -2.551 19.714 12.331 1.00 1.26 C ATOM 119 C SER A 8 -3.082 18.923 11.125 1.00 1.13 C ATOM 120 O SER A 8 -4.235 18.488 11.120 1.00 1.05 O ATOM 121 CB SER A 8 -2.614 21.225 12.064 1.00 1.38 C ATOM 122 OG SER A 8 -3.959 21.674 11.964 1.00 1.39 O ATOM 0 H SER A 8 -0.496 20.087 12.454 1.00 1.29 H new ATOM 0 HA SER A 8 -3.188 19.466 13.180 1.00 1.26 H new ATOM 0 HB2 SER A 8 -2.108 21.760 12.867 1.00 1.38 H new ATOM 0 HB3 SER A 8 -2.081 21.456 11.142 1.00 1.38 H new ATOM 0 HG SER A 8 -3.970 22.639 11.795 1.00 1.39 H new ATOM 128 N TRP A 9 -2.219 18.641 10.143 1.00 1.12 N ATOM 129 CA TRP A 9 -2.518 17.784 8.995 1.00 1.04 C ATOM 130 C TRP A 9 -2.794 16.359 9.478 1.00 0.91 C ATOM 131 O TRP A 9 -3.817 15.779 9.123 1.00 0.82 O ATOM 132 CB TRP A 9 -1.349 17.843 7.993 1.00 1.11 C ATOM 133 CG TRP A 9 -1.560 17.174 6.662 1.00 1.03 C ATOM 134 CD1 TRP A 9 -1.876 15.874 6.464 1.00 1.69 C ATOM 135 CD2 TRP A 9 -1.435 17.749 5.320 1.00 1.61 C ATOM 136 NE1 TRP A 9 -2.037 15.624 5.117 1.00 1.30 N ATOM 137 CE2 TRP A 9 -1.747 16.738 4.359 1.00 1.29 C ATOM 138 CE3 TRP A 9 -1.073 19.018 4.814 1.00 3.02 C ATOM 139 CZ2 TRP A 9 -1.718 16.977 2.977 1.00 2.13 C ATOM 140 CZ3 TRP A 9 -1.029 19.266 3.428 1.00 4.04 C ATOM 141 CH2 TRP A 9 -1.353 18.251 2.509 1.00 3.58 C ATOM 0 H TRP A 9 -1.269 19.013 10.126 1.00 1.12 H new ATOM 0 HA TRP A 9 -3.412 18.136 8.481 1.00 1.04 H new ATOM 0 HB2 TRP A 9 -1.110 18.891 7.812 1.00 1.11 H new ATOM 0 HB3 TRP A 9 -0.475 17.393 8.464 1.00 1.11 H new ATOM 0 HD1 TRP A 9 -1.986 15.138 7.247 1.00 1.69 H new ATOM 0 HE1 TRP A 9 -2.333 14.728 4.731 1.00 1.30 H new ATOM 0 HE3 TRP A 9 -0.826 19.812 5.503 1.00 3.02 H new ATOM 0 HZ2 TRP A 9 -1.973 16.192 2.281 1.00 2.13 H new ATOM 0 HZ3 TRP A 9 -0.744 20.243 3.068 1.00 4.04 H new ATOM 0 HH2 TRP A 9 -1.321 18.450 1.448 1.00 3.58 H new ATOM 152 N ARG A 10 -1.939 15.829 10.366 1.00 0.91 N ATOM 153 CA ARG A 10 -2.144 14.516 10.999 1.00 0.80 C ATOM 154 C ARG A 10 -3.453 14.487 11.787 1.00 0.75 C ATOM 155 O ARG A 10 -4.241 13.564 11.613 1.00 0.67 O ATOM 156 CB ARG A 10 -0.968 14.188 11.951 1.00 0.85 C ATOM 157 CG ARG A 10 0.061 13.206 11.378 1.00 1.68 C ATOM 158 CD ARG A 10 1.195 13.912 10.637 1.00 3.41 C ATOM 159 NE ARG A 10 2.239 12.952 10.243 1.00 4.79 N ATOM 160 CZ ARG A 10 3.534 13.214 10.140 1.00 6.21 C ATOM 161 NH1 ARG A 10 4.006 14.442 10.211 1.00 6.66 N ATOM 162 NH2 ARG A 10 4.380 12.222 9.971 1.00 7.55 N ATOM 0 H ARG A 10 -1.085 16.299 10.666 1.00 0.91 H new ATOM 0 HA ARG A 10 -2.192 13.769 10.207 1.00 0.80 H new ATOM 0 HB2 ARG A 10 -0.459 15.116 12.212 1.00 0.85 H new ATOM 0 HB3 ARG A 10 -1.370 13.774 12.876 1.00 0.85 H new ATOM 0 HG2 ARG A 10 0.478 12.608 12.188 1.00 1.68 H new ATOM 0 HG3 ARG A 10 -0.439 12.517 10.698 1.00 1.68 H new ATOM 0 HD2 ARG A 10 0.801 14.412 9.752 1.00 3.41 H new ATOM 0 HD3 ARG A 10 1.626 14.684 11.274 1.00 3.41 H new ATOM 0 HE ARG A 10 1.939 12.001 10.030 1.00 4.79 H new ATOM 0 HH11 ARG A 10 3.369 15.226 10.349 1.00 6.66 H new ATOM 0 HH12 ARG A 10 5.009 14.609 10.128 1.00 6.66 H new ATOM 0 HH21 ARG A 10 4.037 11.263 9.920 1.00 7.55 H new ATOM 0 HH22 ARG A 10 5.379 12.412 9.890 1.00 7.55 H new ATOM 176 N ARG A 11 -3.730 15.516 12.592 1.00 0.84 N ATOM 177 CA ARG A 11 -4.941 15.633 13.414 1.00 0.86 C ATOM 178 C ARG A 11 -6.204 15.675 12.544 1.00 0.81 C ATOM 179 O ARG A 11 -7.157 14.946 12.821 1.00 0.79 O ATOM 180 CB ARG A 11 -4.807 16.886 14.302 1.00 1.00 C ATOM 181 CG ARG A 11 -6.029 17.103 15.202 1.00 1.15 C ATOM 182 CD ARG A 11 -5.879 18.317 16.124 1.00 1.96 C ATOM 183 NE ARG A 11 -7.140 18.563 16.849 1.00 2.12 N ATOM 184 CZ ARG A 11 -7.291 19.083 18.062 1.00 3.11 C ATOM 185 NH1 ARG A 11 -6.268 19.473 18.793 1.00 4.37 N ATOM 186 NH2 ARG A 11 -8.501 19.217 18.561 1.00 3.30 N ATOM 0 H ARG A 11 -3.102 16.313 12.694 1.00 0.84 H new ATOM 0 HA ARG A 11 -5.043 14.754 14.051 1.00 0.86 H new ATOM 0 HB2 ARG A 11 -3.915 16.794 14.922 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -4.666 17.762 13.669 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -6.914 17.232 14.580 1.00 1.15 H new ATOM 0 HG3 ARG A 11 -6.192 16.211 15.807 1.00 1.15 H new ATOM 0 HD2 ARG A 11 -5.070 18.146 16.834 1.00 1.96 H new ATOM 0 HD3 ARG A 11 -5.609 19.196 15.539 1.00 1.96 H new ATOM 0 HE ARG A 11 -7.997 18.303 16.361 1.00 2.12 H new ATOM 0 HH11 ARG A 11 -5.319 19.380 18.432 1.00 4.37 H new ATOM 0 HH12 ARG A 11 -6.425 19.868 19.720 1.00 4.37 H new ATOM 0 HH21 ARG A 11 -9.312 18.923 18.017 1.00 3.30 H new ATOM 0 HH22 ARG A 11 -8.628 19.615 19.492 1.00 3.30 H new ATOM 200 N THR A 12 -6.185 16.468 11.465 1.00 0.84 N ATOM 201 CA THR A 12 -7.296 16.594 10.504 1.00 0.84 C ATOM 202 C THR A 12 -7.547 15.266 9.816 1.00 0.74 C ATOM 203 O THR A 12 -8.681 14.805 9.769 1.00 0.75 O ATOM 204 CB THR A 12 -6.988 17.686 9.470 1.00 0.92 C ATOM 205 OG1 THR A 12 -6.911 18.923 10.141 1.00 1.03 O ATOM 206 CG2 THR A 12 -8.066 17.801 8.387 1.00 0.96 C ATOM 0 H THR A 12 -5.383 17.052 11.228 1.00 0.84 H new ATOM 0 HA THR A 12 -8.197 16.879 11.047 1.00 0.84 H new ATOM 0 HB THR A 12 -6.051 17.420 8.981 1.00 0.92 H new ATOM 0 HG1 THR A 12 -6.032 19.011 10.564 1.00 1.03 H new ATOM 0 HG21 THR A 12 -7.794 18.589 7.685 1.00 0.96 H new ATOM 0 HG22 THR A 12 -8.149 16.854 7.855 1.00 0.96 H new ATOM 0 HG23 THR A 12 -9.023 18.042 8.850 1.00 0.96 H new ATOM 214 N MET A 13 -6.483 14.609 9.361 1.00 0.67 N ATOM 215 CA MET A 13 -6.557 13.307 8.699 1.00 0.63 C ATOM 216 C MET A 13 -7.086 12.238 9.657 1.00 0.57 C ATOM 217 O MET A 13 -8.013 11.520 9.300 1.00 0.58 O ATOM 218 CB MET A 13 -5.138 12.952 8.209 1.00 0.68 C ATOM 219 CG MET A 13 -4.686 13.730 6.964 1.00 1.62 C ATOM 220 SD MET A 13 -5.217 13.132 5.337 1.00 1.44 S ATOM 221 CE MET A 13 -6.875 13.845 5.250 1.00 1.69 C ATOM 0 H MET A 13 -5.532 14.970 9.442 1.00 0.67 H new ATOM 0 HA MET A 13 -7.248 13.350 7.857 1.00 0.63 H new ATOM 0 HB2 MET A 13 -4.430 13.139 9.017 1.00 0.68 H new ATOM 0 HB3 MET A 13 -5.098 11.885 7.991 1.00 0.68 H new ATOM 0 HG2 MET A 13 -5.033 14.758 7.070 1.00 1.62 H new ATOM 0 HG3 MET A 13 -3.596 13.760 6.968 1.00 1.62 H new ATOM 0 HE1 MET A 13 -7.048 14.243 4.250 1.00 1.69 H new ATOM 0 HE2 MET A 13 -7.614 13.074 5.467 1.00 1.69 H new ATOM 0 HE3 MET A 13 -6.964 14.649 5.981 1.00 1.69 H new ATOM 231 N LEU A 14 -6.602 12.178 10.901 1.00 0.59 N ATOM 232 CA LEU A 14 -7.055 11.204 11.904 1.00 0.62 C ATOM 233 C LEU A 14 -8.535 11.400 12.253 1.00 0.64 C ATOM 234 O LEU A 14 -9.264 10.414 12.378 1.00 0.65 O ATOM 235 CB LEU A 14 -6.133 11.260 13.146 1.00 0.81 C ATOM 236 CG LEU A 14 -5.145 10.073 13.211 1.00 1.27 C ATOM 237 CD1 LEU A 14 -4.206 10.011 11.996 1.00 2.93 C ATOM 238 CD2 LEU A 14 -4.298 10.149 14.489 1.00 1.99 C ATOM 0 H LEU A 14 -5.878 12.809 11.245 1.00 0.59 H new ATOM 0 HA LEU A 14 -6.981 10.202 11.483 1.00 0.62 H new ATOM 0 HB2 LEU A 14 -5.572 12.194 13.134 1.00 0.81 H new ATOM 0 HB3 LEU A 14 -6.745 11.267 14.048 1.00 0.81 H new ATOM 0 HG LEU A 14 -5.754 9.169 13.211 1.00 1.27 H new ATOM 0 HD11 LEU A 14 -3.536 9.158 12.097 1.00 2.93 H new ATOM 0 HD12 LEU A 14 -4.796 9.903 11.086 1.00 2.93 H new ATOM 0 HD13 LEU A 14 -3.620 10.928 11.942 1.00 2.93 H new ATOM 0 HD21 LEU A 14 -3.608 9.306 14.519 1.00 1.99 H new ATOM 0 HD22 LEU A 14 -3.733 11.081 14.496 1.00 1.99 H new ATOM 0 HD23 LEU A 14 -4.951 10.114 15.361 1.00 1.99 H new ATOM 250 N LEU A 15 -9.007 12.649 12.319 1.00 0.70 N ATOM 251 CA LEU A 15 -10.421 12.981 12.506 1.00 0.76 C ATOM 252 C LEU A 15 -11.254 12.519 11.292 1.00 0.74 C ATOM 253 O LEU A 15 -12.288 11.873 11.473 1.00 0.78 O ATOM 254 CB LEU A 15 -10.496 14.495 12.810 1.00 0.86 C ATOM 255 CG LEU A 15 -11.746 15.034 13.535 1.00 1.01 C ATOM 256 CD1 LEU A 15 -13.004 14.953 12.671 1.00 1.04 C ATOM 257 CD2 LEU A 15 -11.996 14.330 14.878 1.00 1.11 C ATOM 0 H LEU A 15 -8.407 13.470 12.243 1.00 0.70 H new ATOM 0 HA LEU A 15 -10.864 12.449 13.348 1.00 0.76 H new ATOM 0 HB2 LEU A 15 -9.625 14.757 13.410 1.00 0.86 H new ATOM 0 HB3 LEU A 15 -10.404 15.029 11.864 1.00 0.86 H new ATOM 0 HG LEU A 15 -11.532 16.084 13.732 1.00 1.01 H new ATOM 0 HD11 LEU A 15 -13.854 15.345 13.229 1.00 1.04 H new ATOM 0 HD12 LEU A 15 -12.862 15.542 11.765 1.00 1.04 H new ATOM 0 HD13 LEU A 15 -13.194 13.914 12.402 1.00 1.04 H new ATOM 0 HD21 LEU A 15 -12.887 14.747 15.347 1.00 1.11 H new ATOM 0 HD22 LEU A 15 -12.141 13.263 14.708 1.00 1.11 H new ATOM 0 HD23 LEU A 15 -11.138 14.480 15.533 1.00 1.11 H new ATOM 269 N ARG A 16 -10.768 12.734 10.062 1.00 0.70 N ATOM 270 CA ARG A 16 -11.388 12.212 8.830 1.00 0.73 C ATOM 271 C ARG A 16 -11.447 10.678 8.793 1.00 0.70 C ATOM 272 O ARG A 16 -12.468 10.108 8.410 1.00 0.77 O ATOM 273 CB ARG A 16 -10.654 12.732 7.587 1.00 0.73 C ATOM 274 CG ARG A 16 -10.943 14.215 7.323 1.00 0.83 C ATOM 275 CD ARG A 16 -10.476 14.608 5.921 1.00 0.74 C ATOM 276 NE ARG A 16 -11.398 14.099 4.892 1.00 1.09 N ATOM 277 CZ ARG A 16 -12.539 14.638 4.483 1.00 1.85 C ATOM 278 NH1 ARG A 16 -12.956 15.818 4.897 1.00 2.89 N ATOM 279 NH2 ARG A 16 -13.289 13.964 3.642 1.00 2.58 N ATOM 0 H ARG A 16 -9.924 13.281 9.889 1.00 0.70 H new ATOM 0 HA ARG A 16 -12.415 12.577 8.829 1.00 0.73 H new ATOM 0 HB2 ARG A 16 -9.581 12.590 7.714 1.00 0.73 H new ATOM 0 HB3 ARG A 16 -10.953 12.145 6.718 1.00 0.73 H new ATOM 0 HG2 ARG A 16 -12.011 14.408 7.425 1.00 0.83 H new ATOM 0 HG3 ARG A 16 -10.436 14.829 8.067 1.00 0.83 H new ATOM 0 HD2 ARG A 16 -10.408 15.693 5.848 1.00 0.74 H new ATOM 0 HD3 ARG A 16 -9.475 14.214 5.744 1.00 0.74 H new ATOM 0 HE ARG A 16 -11.127 13.226 4.439 1.00 1.09 H new ATOM 0 HH11 ARG A 16 -12.394 16.354 5.558 1.00 2.89 H new ATOM 0 HH12 ARG A 16 -13.841 16.195 4.556 1.00 2.89 H new ATOM 0 HH21 ARG A 16 -12.990 13.045 3.316 1.00 2.58 H new ATOM 0 HH22 ARG A 16 -14.170 14.360 3.315 1.00 2.58 H new ATOM 293 N PHE A 17 -10.401 9.986 9.246 1.00 0.63 N ATOM 294 CA PHE A 17 -10.383 8.526 9.359 1.00 0.64 C ATOM 295 C PHE A 17 -11.334 7.997 10.441 1.00 0.74 C ATOM 296 O PHE A 17 -11.966 6.962 10.237 1.00 0.82 O ATOM 297 CB PHE A 17 -8.938 8.026 9.449 1.00 0.54 C ATOM 298 CG PHE A 17 -8.246 8.182 8.108 1.00 0.59 C ATOM 299 CD1 PHE A 17 -8.733 7.463 6.997 1.00 2.07 C ATOM 300 CD2 PHE A 17 -7.150 9.048 7.945 1.00 2.03 C ATOM 301 CE1 PHE A 17 -8.150 7.634 5.734 1.00 2.26 C ATOM 302 CE2 PHE A 17 -6.611 9.278 6.666 1.00 2.09 C ATOM 303 CZ PHE A 17 -7.124 8.583 5.557 1.00 1.20 C ATOM 0 H PHE A 17 -9.533 10.428 9.548 1.00 0.63 H new ATOM 0 HA PHE A 17 -10.796 8.094 8.448 1.00 0.64 H new ATOM 0 HB2 PHE A 17 -8.398 8.586 10.212 1.00 0.54 H new ATOM 0 HB3 PHE A 17 -8.926 6.979 9.753 1.00 0.54 H new ATOM 0 HD1 PHE A 17 -9.559 6.778 7.120 1.00 2.07 H new ATOM 0 HD2 PHE A 17 -6.720 9.539 8.806 1.00 2.03 H new ATOM 0 HE1 PHE A 17 -8.487 7.039 4.898 1.00 2.26 H new ATOM 0 HE2 PHE A 17 -5.806 9.986 6.537 1.00 2.09 H new ATOM 0 HZ PHE A 17 -6.732 8.777 4.570 1.00 1.20 H new ATOM 313 N GLN A 18 -11.514 8.733 11.541 1.00 0.76 N ATOM 314 CA GLN A 18 -12.576 8.471 12.521 1.00 0.88 C ATOM 315 C GLN A 18 -13.994 8.682 11.932 1.00 0.92 C ATOM 316 O GLN A 18 -14.952 8.099 12.439 1.00 1.09 O ATOM 317 CB GLN A 18 -12.317 9.342 13.769 1.00 0.93 C ATOM 318 CG GLN A 18 -12.639 8.647 15.105 1.00 1.16 C ATOM 319 CD GLN A 18 -14.135 8.527 15.413 1.00 1.92 C ATOM 320 OE1 GLN A 18 -14.834 9.510 15.630 1.00 2.54 O ATOM 321 NE2 GLN A 18 -14.681 7.327 15.467 1.00 3.04 N ATOM 0 H GLN A 18 -10.926 9.531 11.780 1.00 0.76 H new ATOM 0 HA GLN A 18 -12.547 7.420 12.807 1.00 0.88 H new ATOM 0 HB2 GLN A 18 -11.270 9.646 13.774 1.00 0.93 H new ATOM 0 HB3 GLN A 18 -12.913 10.251 13.693 1.00 0.93 H new ATOM 0 HG2 GLN A 18 -12.201 7.649 15.096 1.00 1.16 H new ATOM 0 HG3 GLN A 18 -12.158 9.199 15.913 1.00 1.16 H new ATOM 0 HE21 GLN A 18 -14.112 6.499 15.289 1.00 3.04 H new ATOM 0 HE22 GLN A 18 -15.672 7.227 15.687 1.00 3.04 H new ATOM 330 N ARG A 19 -14.150 9.467 10.850 1.00 0.82 N ATOM 331 CA ARG A 19 -15.441 9.706 10.174 1.00 0.85 C ATOM 332 C ARG A 19 -15.889 8.587 9.216 1.00 0.86 C ATOM 333 O ARG A 19 -17.079 8.535 8.892 1.00 0.96 O ATOM 334 CB ARG A 19 -15.425 11.054 9.415 1.00 0.87 C ATOM 335 CG ARG A 19 -16.215 12.145 10.145 1.00 1.15 C ATOM 336 CD ARG A 19 -15.456 12.646 11.374 1.00 1.47 C ATOM 337 NE ARG A 19 -16.282 13.564 12.176 1.00 2.11 N ATOM 338 CZ ARG A 19 -17.030 13.244 13.227 1.00 2.60 C ATOM 339 NH1 ARG A 19 -17.112 12.011 13.684 1.00 3.03 N ATOM 340 NH2 ARG A 19 -17.718 14.180 13.842 1.00 3.35 N ATOM 0 H ARG A 19 -13.372 9.961 10.413 1.00 0.82 H new ATOM 0 HA ARG A 19 -16.173 9.727 10.982 1.00 0.85 H new ATOM 0 HB2 ARG A 19 -14.394 11.382 9.284 1.00 0.87 H new ATOM 0 HB3 ARG A 19 -15.843 10.912 8.418 1.00 0.87 H new ATOM 0 HG2 ARG A 19 -16.404 12.977 9.467 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -17.186 11.754 10.448 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -15.152 11.798 11.987 1.00 1.47 H new ATOM 0 HD3 ARG A 19 -14.545 13.155 11.059 1.00 1.47 H new ATOM 0 HE ARG A 19 -16.280 14.545 11.897 1.00 2.11 H new ATOM 0 HH11 ARG A 19 -16.590 11.262 13.228 1.00 3.03 H new ATOM 0 HH12 ARG A 19 -17.697 11.805 14.494 1.00 3.03 H new ATOM 0 HH21 ARG A 19 -17.676 15.144 13.512 1.00 3.35 H new ATOM 0 HH22 ARG A 19 -18.294 13.942 14.649 1.00 3.35 H new ATOM 354 N MET A 20 -14.992 7.712 8.745 1.00 0.78 N ATOM 355 CA MET A 20 -15.329 6.647 7.783 1.00 0.81 C ATOM 356 C MET A 20 -16.418 5.717 8.329 1.00 1.03 C ATOM 357 O MET A 20 -16.300 5.207 9.445 1.00 2.18 O ATOM 358 CB MET A 20 -14.091 5.820 7.396 1.00 0.74 C ATOM 359 CG MET A 20 -12.928 6.669 6.879 1.00 0.72 C ATOM 360 SD MET A 20 -13.328 7.919 5.638 1.00 0.90 S ATOM 361 CE MET A 20 -11.653 8.524 5.368 1.00 0.59 C ATOM 0 H MET A 20 -14.009 7.720 9.019 1.00 0.78 H new ATOM 0 HA MET A 20 -15.709 7.144 6.891 1.00 0.81 H new ATOM 0 HB2 MET A 20 -13.758 5.251 8.264 1.00 0.74 H new ATOM 0 HB3 MET A 20 -14.372 5.097 6.630 1.00 0.74 H new ATOM 0 HG2 MET A 20 -12.467 7.170 7.730 1.00 0.72 H new ATOM 0 HG3 MET A 20 -12.178 5.999 6.458 1.00 0.72 H new ATOM 0 HE1 MET A 20 -11.677 9.365 4.675 1.00 0.59 H new ATOM 0 HE2 MET A 20 -11.226 8.848 6.317 1.00 0.59 H new ATOM 0 HE3 MET A 20 -11.041 7.726 4.948 1.00 0.59 H new ATOM 371 N GLU A 21 -17.465 5.483 7.538 1.00 0.89 N ATOM 372 CA GLU A 21 -18.587 4.609 7.907 1.00 0.96 C ATOM 373 C GLU A 21 -18.413 3.159 7.414 1.00 0.87 C ATOM 374 O GLU A 21 -19.161 2.277 7.846 1.00 0.97 O ATOM 375 CB GLU A 21 -19.915 5.213 7.405 1.00 1.12 C ATOM 376 CG GLU A 21 -20.974 5.192 8.516 1.00 1.67 C ATOM 377 CD GLU A 21 -22.307 5.787 8.038 1.00 2.23 C ATOM 378 OE1 GLU A 21 -22.479 7.027 8.103 1.00 2.40 O ATOM 379 OE2 GLU A 21 -23.203 5.018 7.614 1.00 3.37 O ATOM 0 H GLU A 21 -17.562 5.898 6.611 1.00 0.89 H new ATOM 0 HA GLU A 21 -18.606 4.554 8.995 1.00 0.96 H new ATOM 0 HB2 GLU A 21 -19.751 6.238 7.071 1.00 1.12 H new ATOM 0 HB3 GLU A 21 -20.274 4.650 6.543 1.00 1.12 H new ATOM 0 HG2 GLU A 21 -21.132 4.166 8.850 1.00 1.67 H new ATOM 0 HG3 GLU A 21 -20.611 5.755 9.376 1.00 1.67 H new ATOM 386 N THR A 22 -17.425 2.904 6.538 1.00 0.79 N ATOM 387 CA THR A 22 -17.103 1.586 5.968 1.00 0.84 C ATOM 388 C THR A 22 -15.599 1.392 5.819 1.00 0.84 C ATOM 389 O THR A 22 -14.853 2.345 5.584 1.00 0.76 O ATOM 390 CB THR A 22 -17.771 1.374 4.603 1.00 0.91 C ATOM 391 OG1 THR A 22 -17.319 2.343 3.689 1.00 0.89 O ATOM 392 CG2 THR A 22 -19.294 1.432 4.685 1.00 1.03 C ATOM 0 H THR A 22 -16.806 3.639 6.195 1.00 0.79 H new ATOM 0 HA THR A 22 -17.492 0.849 6.670 1.00 0.84 H new ATOM 0 HB THR A 22 -17.493 0.376 4.264 1.00 0.91 H new ATOM 0 HG1 THR A 22 -17.795 3.186 3.843 1.00 0.89 H new ATOM 0 HG21 THR A 22 -19.718 1.276 3.693 1.00 1.03 H new ATOM 0 HG22 THR A 22 -19.652 0.654 5.359 1.00 1.03 H new ATOM 0 HG23 THR A 22 -19.601 2.408 5.062 1.00 1.03 H new ATOM 400 N ALA A 23 -15.153 0.135 5.879 1.00 0.96 N ATOM 401 CA ALA A 23 -13.782 -0.266 5.537 1.00 0.98 C ATOM 402 C ALA A 23 -13.384 0.196 4.120 1.00 0.96 C ATOM 403 O ALA A 23 -12.222 0.515 3.868 1.00 0.98 O ATOM 404 CB ALA A 23 -13.708 -1.793 5.663 1.00 1.10 C ATOM 0 H ALA A 23 -15.741 -0.646 6.171 1.00 0.96 H new ATOM 0 HA ALA A 23 -13.076 0.210 6.217 1.00 0.98 H new ATOM 0 HB1 ALA A 23 -12.701 -2.130 5.416 1.00 1.10 H new ATOM 0 HB2 ALA A 23 -13.948 -2.086 6.685 1.00 1.10 H new ATOM 0 HB3 ALA A 23 -14.422 -2.250 4.978 1.00 1.10 H new ATOM 410 N GLU A 24 -14.365 0.276 3.216 1.00 0.97 N ATOM 411 CA GLU A 24 -14.208 0.774 1.851 1.00 0.99 C ATOM 412 C GLU A 24 -13.789 2.248 1.855 1.00 0.91 C ATOM 413 O GLU A 24 -12.810 2.603 1.206 1.00 0.96 O ATOM 414 CB GLU A 24 -15.492 0.574 1.024 1.00 1.07 C ATOM 415 CG GLU A 24 -16.086 -0.838 1.143 1.00 1.23 C ATOM 416 CD GLU A 24 -17.172 -1.101 0.086 1.00 1.30 C ATOM 417 OE1 GLU A 24 -18.151 -0.322 -0.003 1.00 2.27 O ATOM 418 OE2 GLU A 24 -17.068 -2.109 -0.652 1.00 2.21 O ATOM 0 H GLU A 24 -15.321 -0.014 3.424 1.00 0.97 H new ATOM 0 HA GLU A 24 -13.417 0.192 1.378 1.00 0.99 H new ATOM 0 HB2 GLU A 24 -16.238 1.301 1.345 1.00 1.07 H new ATOM 0 HB3 GLU A 24 -15.275 0.781 -0.024 1.00 1.07 H new ATOM 0 HG2 GLU A 24 -15.291 -1.575 1.036 1.00 1.23 H new ATOM 0 HG3 GLU A 24 -16.510 -0.969 2.138 1.00 1.23 H new ATOM 425 N GLU A 25 -14.467 3.101 2.634 1.00 0.81 N ATOM 426 CA GLU A 25 -14.162 4.534 2.743 1.00 0.75 C ATOM 427 C GLU A 25 -12.726 4.797 3.227 1.00 0.67 C ATOM 428 O GLU A 25 -12.089 5.738 2.750 1.00 0.63 O ATOM 429 CB GLU A 25 -15.162 5.223 3.677 1.00 0.85 C ATOM 430 CG GLU A 25 -16.506 5.516 3.005 1.00 1.59 C ATOM 431 CD GLU A 25 -17.591 5.674 4.076 1.00 2.43 C ATOM 432 OE1 GLU A 25 -17.501 6.603 4.913 1.00 2.48 O ATOM 433 OE2 GLU A 25 -18.505 4.823 4.123 1.00 4.02 O ATOM 0 H GLU A 25 -15.254 2.811 3.215 1.00 0.81 H new ATOM 0 HA GLU A 25 -14.248 4.952 1.740 1.00 0.75 H new ATOM 0 HB2 GLU A 25 -15.329 4.592 4.550 1.00 0.85 H new ATOM 0 HB3 GLU A 25 -14.731 6.157 4.036 1.00 0.85 H new ATOM 0 HG2 GLU A 25 -16.435 6.425 2.408 1.00 1.59 H new ATOM 0 HG3 GLU A 25 -16.768 4.706 2.324 1.00 1.59 H new ATOM 440 N VAL A 26 -12.195 3.952 4.120 1.00 0.67 N ATOM 441 CA VAL A 26 -10.810 4.084 4.620 1.00 0.65 C ATOM 442 C VAL A 26 -9.793 3.932 3.482 1.00 0.67 C ATOM 443 O VAL A 26 -8.893 4.764 3.358 1.00 0.64 O ATOM 444 CB VAL A 26 -10.491 3.067 5.747 1.00 0.71 C ATOM 445 CG1 VAL A 26 -9.045 3.201 6.251 1.00 0.74 C ATOM 446 CG2 VAL A 26 -11.435 3.216 6.954 1.00 0.70 C ATOM 0 H VAL A 26 -12.704 3.162 4.517 1.00 0.67 H new ATOM 0 HA VAL A 26 -10.729 5.087 5.040 1.00 0.65 H new ATOM 0 HB VAL A 26 -10.634 2.085 5.296 1.00 0.71 H new ATOM 0 HG11 VAL A 26 -8.865 2.470 7.039 1.00 0.74 H new ATOM 0 HG12 VAL A 26 -8.354 3.023 5.427 1.00 0.74 H new ATOM 0 HG13 VAL A 26 -8.889 4.205 6.645 1.00 0.74 H new ATOM 0 HG21 VAL A 26 -11.171 2.482 7.715 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -11.340 4.219 7.369 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -12.464 3.052 6.634 1.00 0.70 H new ATOM 456 N TYR A 27 -9.941 2.914 2.623 1.00 0.75 N ATOM 457 CA TYR A 27 -9.040 2.741 1.474 1.00 0.78 C ATOM 458 C TYR A 27 -9.380 3.727 0.337 1.00 0.72 C ATOM 459 O TYR A 27 -8.504 4.203 -0.383 1.00 0.70 O ATOM 460 CB TYR A 27 -8.996 1.269 1.013 1.00 0.91 C ATOM 461 CG TYR A 27 -9.801 0.924 -0.225 1.00 0.97 C ATOM 462 CD1 TYR A 27 -9.303 1.247 -1.502 1.00 1.76 C ATOM 463 CD2 TYR A 27 -11.049 0.292 -0.100 1.00 1.65 C ATOM 464 CE1 TYR A 27 -10.083 1.002 -2.647 1.00 1.86 C ATOM 465 CE2 TYR A 27 -11.837 0.043 -1.239 1.00 1.67 C ATOM 466 CZ TYR A 27 -11.360 0.412 -2.518 1.00 1.16 C ATOM 467 OH TYR A 27 -12.133 0.198 -3.619 1.00 1.27 O ATOM 0 H TYR A 27 -10.669 2.204 2.700 1.00 0.75 H new ATOM 0 HA TYR A 27 -8.028 2.989 1.794 1.00 0.78 H new ATOM 0 HB2 TYR A 27 -7.956 1.000 0.830 1.00 0.91 H new ATOM 0 HB3 TYR A 27 -9.347 0.644 1.834 1.00 0.91 H new ATOM 0 HD1 TYR A 27 -8.320 1.684 -1.603 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -11.406 -0.004 0.875 1.00 1.65 H new ATOM 0 HE1 TYR A 27 -9.706 1.265 -3.624 1.00 1.86 H new ATOM 0 HE2 TYR A 27 -12.803 -0.429 -1.137 1.00 1.67 H new ATOM 0 HH TYR A 27 -12.979 -0.216 -3.349 1.00 1.27 H new ATOM 477 N HIS A 28 -10.657 4.055 0.178 1.00 0.73 N ATOM 478 CA HIS A 28 -11.158 4.987 -0.819 1.00 0.74 C ATOM 479 C HIS A 28 -10.641 6.423 -0.618 1.00 0.63 C ATOM 480 O HIS A 28 -10.276 7.062 -1.600 1.00 0.67 O ATOM 481 CB HIS A 28 -12.686 4.909 -0.835 1.00 0.85 C ATOM 482 CG HIS A 28 -13.393 5.770 -1.848 1.00 0.96 C ATOM 483 ND1 HIS A 28 -14.486 6.564 -1.590 1.00 1.06 N ATOM 484 CD2 HIS A 28 -13.179 5.806 -3.201 1.00 1.10 C ATOM 485 CE1 HIS A 28 -14.923 7.062 -2.756 1.00 1.25 C ATOM 486 NE2 HIS A 28 -14.157 6.631 -3.775 1.00 1.28 N ATOM 0 H HIS A 28 -11.396 3.664 0.762 1.00 0.73 H new ATOM 0 HA HIS A 28 -10.772 4.695 -1.796 1.00 0.74 H new ATOM 0 HB2 HIS A 28 -12.973 3.872 -1.010 1.00 0.85 H new ATOM 0 HB3 HIS A 28 -13.052 5.178 0.156 1.00 0.85 H new ATOM 0 HD2 HIS A 28 -12.394 5.289 -3.733 1.00 1.10 H new ATOM 0 HE1 HIS A 28 -15.773 7.719 -2.863 1.00 1.25 H new ATOM 0 HE2 HIS A 28 -14.266 6.858 -4.763 1.00 1.28 H new ATOM 494 N GLU A 29 -10.582 6.968 0.606 1.00 0.56 N ATOM 495 CA GLU A 29 -10.028 8.322 0.763 1.00 0.55 C ATOM 496 C GLU A 29 -8.528 8.396 0.409 1.00 0.54 C ATOM 497 O GLU A 29 -8.076 9.364 -0.208 1.00 0.59 O ATOM 498 CB GLU A 29 -10.338 8.943 2.133 1.00 0.74 C ATOM 499 CG GLU A 29 -10.272 10.476 1.980 1.00 1.42 C ATOM 500 CD GLU A 29 -10.922 11.241 3.133 1.00 1.64 C ATOM 501 OE1 GLU A 29 -12.144 11.503 3.072 1.00 2.83 O ATOM 502 OE2 GLU A 29 -10.209 11.655 4.073 1.00 2.25 O ATOM 0 H GLU A 29 -10.895 6.518 1.466 1.00 0.56 H new ATOM 0 HA GLU A 29 -10.547 8.939 0.030 1.00 0.55 H new ATOM 0 HB2 GLU A 29 -11.325 8.635 2.477 1.00 0.74 H new ATOM 0 HB3 GLU A 29 -9.620 8.602 2.879 1.00 0.74 H new ATOM 0 HG2 GLU A 29 -9.228 10.779 1.899 1.00 1.42 H new ATOM 0 HG3 GLU A 29 -10.760 10.760 1.048 1.00 1.42 H new ATOM 509 N ILE A 30 -7.751 7.362 0.756 1.00 0.54 N ATOM 510 CA ILE A 30 -6.308 7.320 0.435 1.00 0.59 C ATOM 511 C ILE A 30 -6.040 7.067 -1.057 1.00 0.58 C ATOM 512 O ILE A 30 -5.129 7.677 -1.618 1.00 0.65 O ATOM 513 CB ILE A 30 -5.531 6.358 1.363 1.00 0.69 C ATOM 514 CG1 ILE A 30 -5.971 4.892 1.220 1.00 0.75 C ATOM 515 CG2 ILE A 30 -5.689 6.831 2.814 1.00 0.78 C ATOM 516 CD1 ILE A 30 -5.290 3.914 2.175 1.00 0.92 C ATOM 0 H ILE A 30 -8.091 6.542 1.258 1.00 0.54 H new ATOM 0 HA ILE A 30 -5.915 8.317 0.637 1.00 0.59 H new ATOM 0 HB ILE A 30 -4.483 6.385 1.066 1.00 0.69 H new ATOM 0 HG12 ILE A 30 -7.048 4.836 1.375 1.00 0.75 H new ATOM 0 HG13 ILE A 30 -5.779 4.570 0.197 1.00 0.75 H new ATOM 0 HG21 ILE A 30 -5.144 6.159 3.477 1.00 0.78 H new ATOM 0 HG22 ILE A 30 -5.290 7.841 2.913 1.00 0.78 H new ATOM 0 HG23 ILE A 30 -6.745 6.830 3.084 1.00 0.78 H new ATOM 0 HD11 ILE A 30 -5.668 2.907 1.995 1.00 0.92 H new ATOM 0 HD12 ILE A 30 -4.213 3.933 2.008 1.00 0.92 H new ATOM 0 HD13 ILE A 30 -5.503 4.203 3.204 1.00 0.92 H new ATOM 528 N GLU A 31 -6.851 6.239 -1.725 1.00 0.57 N ATOM 529 CA GLU A 31 -6.752 6.014 -3.173 1.00 0.63 C ATOM 530 C GLU A 31 -7.236 7.232 -3.980 1.00 0.62 C ATOM 531 O GLU A 31 -6.590 7.601 -4.963 1.00 0.64 O ATOM 532 CB GLU A 31 -7.418 4.685 -3.581 1.00 0.85 C ATOM 533 CG GLU A 31 -8.934 4.614 -3.495 1.00 1.76 C ATOM 534 CD GLU A 31 -9.679 4.706 -4.827 1.00 2.10 C ATOM 535 OE1 GLU A 31 -9.406 5.645 -5.604 1.00 2.67 O ATOM 536 OE2 GLU A 31 -10.589 3.875 -5.059 1.00 2.91 O ATOM 0 H GLU A 31 -7.596 5.705 -1.277 1.00 0.57 H new ATOM 0 HA GLU A 31 -5.698 5.907 -3.428 1.00 0.63 H new ATOM 0 HB2 GLU A 31 -7.127 4.462 -4.607 1.00 0.85 H new ATOM 0 HB3 GLU A 31 -7.006 3.894 -2.954 1.00 0.85 H new ATOM 0 HG2 GLU A 31 -9.208 3.677 -3.010 1.00 1.76 H new ATOM 0 HG3 GLU A 31 -9.281 5.421 -2.849 1.00 1.76 H new ATOM 543 N LEU A 32 -8.295 7.930 -3.535 1.00 0.67 N ATOM 544 CA LEU A 32 -8.740 9.198 -4.127 1.00 0.83 C ATOM 545 C LEU A 32 -7.632 10.255 -4.134 1.00 0.85 C ATOM 546 O LEU A 32 -7.553 11.037 -5.080 1.00 1.01 O ATOM 547 CB LEU A 32 -9.960 9.747 -3.357 1.00 0.89 C ATOM 548 CG LEU A 32 -11.331 9.167 -3.757 1.00 1.00 C ATOM 549 CD1 LEU A 32 -12.383 9.711 -2.777 1.00 1.04 C ATOM 550 CD2 LEU A 32 -11.722 9.555 -5.191 1.00 1.16 C ATOM 0 H LEU A 32 -8.869 7.626 -2.748 1.00 0.67 H new ATOM 0 HA LEU A 32 -9.012 8.988 -5.161 1.00 0.83 H new ATOM 0 HB2 LEU A 32 -9.806 9.562 -2.294 1.00 0.89 H new ATOM 0 HB3 LEU A 32 -9.992 10.828 -3.491 1.00 0.89 H new ATOM 0 HG LEU A 32 -11.276 8.079 -3.717 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -13.364 9.315 -3.039 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -12.127 9.405 -1.762 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -12.405 10.799 -2.834 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -12.694 9.126 -5.432 1.00 1.16 H new ATOM 0 HD22 LEU A 32 -11.774 10.641 -5.273 1.00 1.16 H new ATOM 0 HD23 LEU A 32 -10.975 9.174 -5.887 1.00 1.16 H new ATOM 562 N GLN A 33 -6.764 10.288 -3.119 1.00 0.77 N ATOM 563 CA GLN A 33 -5.620 11.197 -3.115 1.00 0.93 C ATOM 564 C GLN A 33 -4.609 10.847 -4.222 1.00 0.97 C ATOM 565 O GLN A 33 -4.145 11.742 -4.922 1.00 1.36 O ATOM 566 CB GLN A 33 -5.003 11.251 -1.709 1.00 0.99 C ATOM 567 CG GLN A 33 -4.018 12.425 -1.580 1.00 1.37 C ATOM 568 CD GLN A 33 -3.706 12.763 -0.122 1.00 1.61 C ATOM 569 OE1 GLN A 33 -2.613 12.531 0.376 1.00 1.84 O ATOM 570 NE2 GLN A 33 -4.646 13.322 0.617 1.00 3.34 N ATOM 0 H GLN A 33 -6.834 9.696 -2.292 1.00 0.77 H new ATOM 0 HA GLN A 33 -5.961 12.204 -3.354 1.00 0.93 H new ATOM 0 HB2 GLN A 33 -5.794 11.352 -0.965 1.00 0.99 H new ATOM 0 HB3 GLN A 33 -4.486 10.314 -1.499 1.00 0.99 H new ATOM 0 HG2 GLN A 33 -3.092 12.178 -2.100 1.00 1.37 H new ATOM 0 HG3 GLN A 33 -4.436 13.303 -2.073 1.00 1.37 H new ATOM 0 HE21 GLN A 33 -5.561 13.520 0.213 1.00 3.34 H new ATOM 0 HE22 GLN A 33 -4.457 13.556 1.592 1.00 3.34 H new ATOM 579 N ALA A 34 -4.330 9.566 -4.475 1.00 0.67 N ATOM 580 CA ALA A 34 -3.506 9.133 -5.611 1.00 0.66 C ATOM 581 C ALA A 34 -4.171 9.444 -6.964 1.00 0.74 C ATOM 582 O ALA A 34 -3.480 9.850 -7.902 1.00 0.87 O ATOM 583 CB ALA A 34 -3.228 7.631 -5.477 1.00 0.56 C ATOM 0 H ALA A 34 -4.669 8.796 -3.898 1.00 0.67 H new ATOM 0 HA ALA A 34 -2.569 9.690 -5.590 1.00 0.66 H new ATOM 0 HB1 ALA A 34 -2.617 7.298 -6.316 1.00 0.56 H new ATOM 0 HB2 ALA A 34 -2.698 7.441 -4.544 1.00 0.56 H new ATOM 0 HB3 ALA A 34 -4.171 7.085 -5.476 1.00 0.56 H new ATOM 589 N GLN A 35 -5.495 9.265 -7.080 1.00 0.74 N ATOM 590 CA GLN A 35 -6.253 9.731 -8.251 1.00 0.85 C ATOM 591 C GLN A 35 -6.098 11.248 -8.446 1.00 0.88 C ATOM 592 O GLN A 35 -5.907 11.702 -9.575 1.00 0.91 O ATOM 593 CB GLN A 35 -7.752 9.396 -8.149 1.00 0.92 C ATOM 594 CG GLN A 35 -8.089 7.898 -8.065 1.00 0.98 C ATOM 595 CD GLN A 35 -9.486 7.576 -8.621 1.00 1.78 C ATOM 596 OE1 GLN A 35 -9.909 8.056 -9.669 1.00 2.20 O ATOM 597 NE2 GLN A 35 -10.270 6.758 -7.957 1.00 2.51 N ATOM 0 H GLN A 35 -6.065 8.799 -6.374 1.00 0.74 H new ATOM 0 HA GLN A 35 -5.836 9.204 -9.109 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -8.159 9.892 -7.268 1.00 0.92 H new ATOM 0 HB3 GLN A 35 -8.261 9.817 -9.016 1.00 0.92 H new ATOM 0 HG2 GLN A 35 -7.342 7.329 -8.618 1.00 0.98 H new ATOM 0 HG3 GLN A 35 -8.032 7.574 -7.026 1.00 0.98 H new ATOM 0 HE21 GLN A 35 -9.949 6.342 -7.083 1.00 2.51 H new ATOM 0 HE22 GLN A 35 -11.199 6.539 -8.316 1.00 2.51 H new ATOM 606 N GLN A 36 -6.126 12.031 -7.361 1.00 0.89 N ATOM 607 CA GLN A 36 -5.917 13.484 -7.405 1.00 0.96 C ATOM 608 C GLN A 36 -4.498 13.863 -7.850 1.00 0.88 C ATOM 609 O GLN A 36 -4.318 14.927 -8.445 1.00 0.98 O ATOM 610 CB GLN A 36 -6.213 14.113 -6.027 1.00 1.08 C ATOM 611 CG GLN A 36 -7.656 14.618 -5.880 1.00 1.44 C ATOM 612 CD GLN A 36 -7.999 15.884 -6.688 1.00 1.75 C ATOM 613 OE1 GLN A 36 -9.114 16.389 -6.626 1.00 2.28 O ATOM 614 NE2 GLN A 36 -7.100 16.466 -7.464 1.00 2.29 N ATOM 0 H GLN A 36 -6.295 11.672 -6.421 1.00 0.89 H new ATOM 0 HA GLN A 36 -6.611 13.877 -8.148 1.00 0.96 H new ATOM 0 HB2 GLN A 36 -6.014 13.375 -5.250 1.00 1.08 H new ATOM 0 HB3 GLN A 36 -5.527 14.944 -5.861 1.00 1.08 H new ATOM 0 HG2 GLN A 36 -8.335 13.820 -6.182 1.00 1.44 H new ATOM 0 HG3 GLN A 36 -7.847 14.818 -4.826 1.00 1.44 H new ATOM 0 HE21 GLN A 36 -6.162 16.074 -7.540 1.00 2.29 H new ATOM 0 HE22 GLN A 36 -7.345 17.307 -7.986 1.00 2.29 H new ATOM 623 N LEU A 37 -3.508 13.003 -7.584 1.00 0.78 N ATOM 624 CA LEU A 37 -2.128 13.146 -8.052 1.00 0.80 C ATOM 625 C LEU A 37 -1.906 12.550 -9.464 1.00 0.82 C ATOM 626 O LEU A 37 -0.799 12.658 -9.996 1.00 0.88 O ATOM 627 CB LEU A 37 -1.190 12.509 -6.999 1.00 0.87 C ATOM 628 CG LEU A 37 -0.768 13.465 -5.864 1.00 0.70 C ATOM 629 CD1 LEU A 37 -1.857 13.847 -4.853 1.00 2.32 C ATOM 630 CD2 LEU A 37 0.425 12.894 -5.090 1.00 2.43 C ATOM 0 H LEU A 37 -3.651 12.165 -7.021 1.00 0.78 H new ATOM 0 HA LEU A 37 -1.899 14.207 -8.157 1.00 0.80 H new ATOM 0 HB2 LEU A 37 -1.688 11.643 -6.563 1.00 0.87 H new ATOM 0 HB3 LEU A 37 -0.295 12.143 -7.501 1.00 0.87 H new ATOM 0 HG LEU A 37 -0.515 14.384 -6.393 1.00 0.70 H new ATOM 0 HD11 LEU A 37 -1.439 14.521 -4.106 1.00 2.32 H new ATOM 0 HD12 LEU A 37 -2.677 14.344 -5.372 1.00 2.32 H new ATOM 0 HD13 LEU A 37 -2.230 12.948 -4.362 1.00 2.32 H new ATOM 0 HD21 LEU A 37 0.706 13.584 -4.294 1.00 2.43 H new ATOM 0 HD22 LEU A 37 0.151 11.932 -4.656 1.00 2.43 H new ATOM 0 HD23 LEU A 37 1.268 12.759 -5.768 1.00 2.43 H new ATOM 642 N GLU A 38 -2.942 11.974 -10.087 1.00 0.81 N ATOM 643 CA GLU A 38 -2.935 11.385 -11.437 1.00 0.85 C ATOM 644 C GLU A 38 -1.834 10.313 -11.628 1.00 0.82 C ATOM 645 O GLU A 38 -1.199 10.236 -12.683 1.00 1.00 O ATOM 646 CB GLU A 38 -2.904 12.474 -12.532 1.00 0.99 C ATOM 647 CG GLU A 38 -4.123 13.409 -12.480 1.00 1.82 C ATOM 648 CD GLU A 38 -4.217 14.330 -13.711 1.00 2.02 C ATOM 649 OE1 GLU A 38 -3.175 14.770 -14.253 1.00 2.22 O ATOM 650 OE2 GLU A 38 -5.354 14.640 -14.142 1.00 2.72 O ATOM 0 H GLU A 38 -3.857 11.901 -9.642 1.00 0.81 H new ATOM 0 HA GLU A 38 -3.878 10.849 -11.546 1.00 0.85 H new ATOM 0 HB2 GLU A 38 -1.994 13.065 -12.424 1.00 0.99 H new ATOM 0 HB3 GLU A 38 -2.860 11.997 -13.511 1.00 0.99 H new ATOM 0 HG2 GLU A 38 -5.032 12.811 -12.408 1.00 1.82 H new ATOM 0 HG3 GLU A 38 -4.070 14.019 -11.578 1.00 1.82 H new ATOM 657 N TYR A 39 -1.581 9.489 -10.603 1.00 0.68 N ATOM 658 CA TYR A 39 -0.504 8.488 -10.615 1.00 0.70 C ATOM 659 C TYR A 39 -0.675 7.407 -11.698 1.00 0.71 C ATOM 660 O TYR A 39 0.136 7.374 -12.622 1.00 0.79 O ATOM 661 CB TYR A 39 -0.430 7.834 -9.224 1.00 0.70 C ATOM 662 CG TYR A 39 0.307 8.562 -8.111 1.00 0.84 C ATOM 663 CD1 TYR A 39 0.945 9.805 -8.310 1.00 1.89 C ATOM 664 CD2 TYR A 39 0.440 7.908 -6.867 1.00 1.93 C ATOM 665 CE1 TYR A 39 1.714 10.379 -7.282 1.00 2.02 C ATOM 666 CE2 TYR A 39 1.196 8.485 -5.829 1.00 2.07 C ATOM 667 CZ TYR A 39 1.831 9.728 -6.036 1.00 1.33 C ATOM 668 OH TYR A 39 2.568 10.289 -5.039 1.00 1.64 O ATOM 0 H TYR A 39 -2.120 9.497 -9.737 1.00 0.68 H new ATOM 0 HA TYR A 39 0.423 9.008 -10.858 1.00 0.70 H new ATOM 0 HB2 TYR A 39 -1.452 7.661 -8.886 1.00 0.70 H new ATOM 0 HB3 TYR A 39 0.036 6.856 -9.343 1.00 0.70 H new ATOM 0 HD1 TYR A 39 0.842 10.317 -9.255 1.00 1.89 H new ATOM 0 HD2 TYR A 39 -0.043 6.955 -6.710 1.00 1.93 H new ATOM 0 HE1 TYR A 39 2.216 11.321 -7.447 1.00 2.02 H new ATOM 0 HE2 TYR A 39 1.289 7.979 -4.879 1.00 2.07 H new ATOM 0 HH TYR A 39 2.365 9.842 -4.191 1.00 1.64 H new ATOM 678 N ASP A 40 -1.707 6.557 -11.596 1.00 0.67 N ATOM 679 CA ASP A 40 -1.926 5.280 -12.316 1.00 0.64 C ATOM 680 C ASP A 40 -2.884 4.401 -11.492 1.00 0.60 C ATOM 681 O ASP A 40 -4.083 4.388 -11.768 1.00 0.75 O ATOM 682 CB ASP A 40 -0.608 4.546 -12.655 1.00 0.64 C ATOM 683 CG ASP A 40 -0.768 3.098 -13.127 1.00 0.99 C ATOM 684 OD1 ASP A 40 -1.356 2.889 -14.213 1.00 2.13 O ATOM 685 OD2 ASP A 40 -0.250 2.202 -12.417 1.00 2.31 O ATOM 0 H ASP A 40 -2.477 6.755 -10.957 1.00 0.67 H new ATOM 0 HA ASP A 40 -2.381 5.502 -13.281 1.00 0.64 H new ATOM 0 HB2 ASP A 40 -0.087 5.108 -13.430 1.00 0.64 H new ATOM 0 HB3 ASP A 40 0.031 4.554 -11.772 1.00 0.64 H new ATOM 690 N TYR A 41 -2.374 3.718 -10.458 1.00 0.49 N ATOM 691 CA TYR A 41 -3.105 2.728 -9.655 1.00 0.52 C ATOM 692 C TYR A 41 -2.547 2.545 -8.225 1.00 0.51 C ATOM 693 O TYR A 41 -1.478 3.030 -7.849 1.00 0.38 O ATOM 694 CB TYR A 41 -3.179 1.367 -10.375 1.00 0.52 C ATOM 695 CG TYR A 41 -4.079 1.280 -11.596 1.00 0.65 C ATOM 696 CD1 TYR A 41 -5.465 1.498 -11.470 1.00 1.64 C ATOM 697 CD2 TYR A 41 -3.543 0.903 -12.843 1.00 1.52 C ATOM 698 CE1 TYR A 41 -6.304 1.386 -12.595 1.00 1.83 C ATOM 699 CE2 TYR A 41 -4.375 0.793 -13.972 1.00 1.56 C ATOM 700 CZ TYR A 41 -5.761 1.040 -13.852 1.00 1.11 C ATOM 701 OH TYR A 41 -6.579 0.916 -14.935 1.00 1.36 O ATOM 0 H TYR A 41 -1.411 3.843 -10.147 1.00 0.49 H new ATOM 0 HA TYR A 41 -4.110 3.134 -9.545 1.00 0.52 H new ATOM 0 HB2 TYR A 41 -2.170 1.089 -10.678 1.00 0.52 H new ATOM 0 HB3 TYR A 41 -3.513 0.620 -9.654 1.00 0.52 H new ATOM 0 HD1 TYR A 41 -5.885 1.752 -10.508 1.00 1.64 H new ATOM 0 HD2 TYR A 41 -2.487 0.697 -12.933 1.00 1.52 H new ATOM 0 HE1 TYR A 41 -7.365 1.565 -12.497 1.00 1.83 H new ATOM 0 HE2 TYR A 41 -3.955 0.520 -14.929 1.00 1.56 H new ATOM 0 HH TYR A 41 -6.046 0.675 -15.721 1.00 1.36 H new ATOM 711 N TYR A 42 -3.342 1.859 -7.407 1.00 0.68 N ATOM 712 CA TYR A 42 -3.208 1.704 -5.959 1.00 0.55 C ATOM 713 C TYR A 42 -3.554 0.268 -5.538 1.00 0.49 C ATOM 714 O TYR A 42 -4.397 -0.388 -6.152 1.00 0.55 O ATOM 715 CB TYR A 42 -4.152 2.712 -5.279 1.00 0.57 C ATOM 716 CG TYR A 42 -5.539 2.769 -5.902 1.00 1.66 C ATOM 717 CD1 TYR A 42 -6.562 1.900 -5.470 1.00 2.36 C ATOM 718 CD2 TYR A 42 -5.790 3.673 -6.956 1.00 3.19 C ATOM 719 CE1 TYR A 42 -7.832 1.946 -6.077 1.00 3.49 C ATOM 720 CE2 TYR A 42 -7.048 3.711 -7.579 1.00 4.49 C ATOM 721 CZ TYR A 42 -8.080 2.857 -7.132 1.00 4.39 C ATOM 722 OH TYR A 42 -9.308 2.929 -7.715 1.00 5.75 O ATOM 0 H TYR A 42 -4.157 1.360 -7.764 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.179 1.897 -5.656 1.00 0.55 H new ATOM 0 HB2 TYR A 42 -4.248 2.452 -4.225 1.00 0.57 H new ATOM 0 HB3 TYR A 42 -3.703 3.704 -5.323 1.00 0.57 H new ATOM 0 HD1 TYR A 42 -6.371 1.198 -4.672 1.00 2.36 H new ATOM 0 HD2 TYR A 42 -5.008 4.341 -7.286 1.00 3.19 H new ATOM 0 HE1 TYR A 42 -8.617 1.286 -5.738 1.00 3.49 H new ATOM 0 HE2 TYR A 42 -7.226 4.392 -8.398 1.00 4.49 H new ATOM 0 HH TYR A 42 -9.964 3.242 -7.058 1.00 5.75 H new ATOM 732 N SER A 43 -2.918 -0.226 -4.483 1.00 0.47 N ATOM 733 CA SER A 43 -3.040 -1.608 -4.021 1.00 0.56 C ATOM 734 C SER A 43 -2.909 -1.694 -2.492 1.00 0.64 C ATOM 735 O SER A 43 -2.181 -0.921 -1.862 1.00 0.52 O ATOM 736 CB SER A 43 -1.957 -2.444 -4.709 1.00 0.59 C ATOM 737 OG SER A 43 -1.921 -3.781 -4.248 1.00 1.55 O ATOM 0 H SER A 43 -2.288 0.334 -3.910 1.00 0.47 H new ATOM 0 HA SER A 43 -4.026 -1.994 -4.279 1.00 0.56 H new ATOM 0 HB2 SER A 43 -2.130 -2.440 -5.785 1.00 0.59 H new ATOM 0 HB3 SER A 43 -0.985 -1.980 -4.541 1.00 0.59 H new ATOM 0 HG SER A 43 -1.001 -4.117 -4.291 1.00 1.55 H new ATOM 743 N LEU A 44 -3.633 -2.643 -1.894 1.00 0.88 N ATOM 744 CA LEU A 44 -3.785 -2.855 -0.457 1.00 0.83 C ATOM 745 C LEU A 44 -3.867 -4.361 -0.182 1.00 0.79 C ATOM 746 O LEU A 44 -4.550 -5.092 -0.896 1.00 0.82 O ATOM 747 CB LEU A 44 -5.056 -2.108 -0.011 1.00 0.85 C ATOM 748 CG LEU A 44 -5.522 -2.367 1.436 1.00 0.90 C ATOM 749 CD1 LEU A 44 -4.495 -1.941 2.494 1.00 1.85 C ATOM 750 CD2 LEU A 44 -6.814 -1.585 1.676 1.00 1.26 C ATOM 0 H LEU A 44 -4.161 -3.326 -2.437 1.00 0.88 H new ATOM 0 HA LEU A 44 -2.936 -2.469 0.107 1.00 0.83 H new ATOM 0 HB2 LEU A 44 -4.885 -1.038 -0.130 1.00 0.85 H new ATOM 0 HB3 LEU A 44 -5.868 -2.378 -0.686 1.00 0.85 H new ATOM 0 HG LEU A 44 -5.664 -3.443 1.539 1.00 0.90 H new ATOM 0 HD11 LEU A 44 -4.888 -2.152 3.488 1.00 1.85 H new ATOM 0 HD12 LEU A 44 -3.568 -2.495 2.345 1.00 1.85 H new ATOM 0 HD13 LEU A 44 -4.298 -0.873 2.401 1.00 1.85 H new ATOM 0 HD21 LEU A 44 -7.159 -1.756 2.696 1.00 1.26 H new ATOM 0 HD22 LEU A 44 -6.628 -0.521 1.530 1.00 1.26 H new ATOM 0 HD23 LEU A 44 -7.578 -1.919 0.974 1.00 1.26 H new ATOM 762 N CYS A 45 -3.204 -4.822 0.877 1.00 0.75 N ATOM 763 CA CYS A 45 -3.278 -6.181 1.403 1.00 0.71 C ATOM 764 C CYS A 45 -3.683 -6.130 2.886 1.00 0.54 C ATOM 765 O CYS A 45 -3.132 -5.329 3.644 1.00 0.58 O ATOM 766 CB CYS A 45 -1.907 -6.835 1.187 1.00 0.91 C ATOM 767 SG CYS A 45 -1.953 -8.580 1.678 1.00 1.58 S ATOM 0 H CYS A 45 -2.572 -4.230 1.415 1.00 0.75 H new ATOM 0 HA CYS A 45 -4.033 -6.777 0.890 1.00 0.71 H new ATOM 0 HB2 CYS A 45 -1.619 -6.753 0.139 1.00 0.91 H new ATOM 0 HB3 CYS A 45 -1.150 -6.307 1.767 1.00 0.91 H new ATOM 0 HG CYS A 45 -0.784 -9.116 1.485 1.00 1.58 H new ATOM 773 N VAL A 46 -4.624 -6.981 3.293 1.00 0.49 N ATOM 774 CA VAL A 46 -5.180 -7.069 4.656 1.00 0.57 C ATOM 775 C VAL A 46 -5.093 -8.523 5.130 1.00 0.71 C ATOM 776 O VAL A 46 -5.454 -9.437 4.389 1.00 0.82 O ATOM 777 CB VAL A 46 -6.650 -6.579 4.694 1.00 0.62 C ATOM 778 CG1 VAL A 46 -7.247 -6.668 6.111 1.00 1.33 C ATOM 779 CG2 VAL A 46 -6.775 -5.125 4.201 1.00 1.53 C ATOM 0 H VAL A 46 -5.043 -7.661 2.659 1.00 0.49 H new ATOM 0 HA VAL A 46 -4.602 -6.425 5.319 1.00 0.57 H new ATOM 0 HB VAL A 46 -7.205 -7.239 4.028 1.00 0.62 H new ATOM 0 HG11 VAL A 46 -8.278 -6.315 6.094 1.00 1.33 H new ATOM 0 HG12 VAL A 46 -7.223 -7.703 6.452 1.00 1.33 H new ATOM 0 HG13 VAL A 46 -6.663 -6.049 6.792 1.00 1.33 H new ATOM 0 HG21 VAL A 46 -7.819 -4.816 4.242 1.00 1.53 H new ATOM 0 HG22 VAL A 46 -6.178 -4.472 4.838 1.00 1.53 H new ATOM 0 HG23 VAL A 46 -6.416 -5.057 3.174 1.00 1.53 H new ATOM 789 N ARG A 47 -4.582 -8.730 6.350 1.00 0.72 N ATOM 790 CA ARG A 47 -4.190 -10.045 6.877 1.00 0.74 C ATOM 791 C ARG A 47 -4.517 -10.135 8.370 1.00 0.81 C ATOM 792 O ARG A 47 -4.161 -9.247 9.149 1.00 0.93 O ATOM 793 CB ARG A 47 -2.675 -10.267 6.664 1.00 0.85 C ATOM 794 CG ARG A 47 -2.226 -10.080 5.204 1.00 1.73 C ATOM 795 CD ARG A 47 -0.709 -10.109 5.030 1.00 1.81 C ATOM 796 NE ARG A 47 -0.131 -11.463 5.086 1.00 2.10 N ATOM 797 CZ ARG A 47 1.072 -11.784 4.620 1.00 2.46 C ATOM 798 NH1 ARG A 47 1.852 -10.873 4.082 1.00 2.81 N ATOM 799 NH2 ARG A 47 1.509 -13.022 4.685 1.00 3.21 N ATOM 0 H ARG A 47 -4.426 -7.971 7.014 1.00 0.72 H new ATOM 0 HA ARG A 47 -4.746 -10.816 6.344 1.00 0.74 H new ATOM 0 HB2 ARG A 47 -2.122 -9.574 7.297 1.00 0.85 H new ATOM 0 HB3 ARG A 47 -2.414 -11.274 6.990 1.00 0.85 H new ATOM 0 HG2 ARG A 47 -2.670 -10.865 4.591 1.00 1.73 H new ATOM 0 HG3 ARG A 47 -2.609 -9.130 4.832 1.00 1.73 H new ATOM 0 HD2 ARG A 47 -0.453 -9.654 4.073 1.00 1.81 H new ATOM 0 HD3 ARG A 47 -0.252 -9.496 5.807 1.00 1.81 H new ATOM 0 HE ARG A 47 -0.691 -12.203 5.510 1.00 2.10 H new ATOM 0 HH11 ARG A 47 1.537 -9.905 4.018 1.00 2.81 H new ATOM 0 HH12 ARG A 47 2.773 -11.134 3.729 1.00 2.81 H new ATOM 0 HH21 ARG A 47 0.923 -13.749 5.096 1.00 3.21 H new ATOM 0 HH22 ARG A 47 2.434 -13.256 4.324 1.00 3.21 H new ATOM 813 N HIS A 48 -5.180 -11.209 8.793 1.00 0.84 N ATOM 814 CA HIS A 48 -5.468 -11.451 10.211 1.00 0.92 C ATOM 815 C HIS A 48 -5.430 -12.959 10.563 1.00 1.01 C ATOM 816 O HIS A 48 -6.217 -13.734 9.998 1.00 1.14 O ATOM 817 CB HIS A 48 -6.809 -10.789 10.564 1.00 1.17 C ATOM 818 CG HIS A 48 -7.144 -10.859 12.033 1.00 2.73 C ATOM 819 ND1 HIS A 48 -8.317 -11.334 12.563 1.00 3.24 N ATOM 820 CD2 HIS A 48 -6.364 -10.456 13.085 1.00 4.67 C ATOM 821 CE1 HIS A 48 -8.246 -11.239 13.899 1.00 4.94 C ATOM 822 NE2 HIS A 48 -7.063 -10.713 14.270 1.00 5.90 N ATOM 0 H HIS A 48 -5.533 -11.935 8.169 1.00 0.84 H new ATOM 0 HA HIS A 48 -4.687 -10.998 10.822 1.00 0.92 H new ATOM 0 HB2 HIS A 48 -6.782 -9.744 10.255 1.00 1.17 H new ATOM 0 HB3 HIS A 48 -7.604 -11.270 9.994 1.00 1.17 H new ATOM 0 HD1 HIS A 48 -9.108 -11.697 12.032 1.00 3.24 H new ATOM 0 HD2 HIS A 48 -5.380 -10.016 13.012 1.00 4.67 H new ATOM 0 HE1 HIS A 48 -9.027 -11.542 14.581 1.00 4.94 H new ATOM 830 N PRO A 49 -4.550 -13.405 11.487 1.00 1.11 N ATOM 831 CA PRO A 49 -4.439 -14.809 11.869 1.00 1.33 C ATOM 832 C PRO A 49 -5.552 -15.186 12.861 1.00 1.38 C ATOM 833 O PRO A 49 -5.327 -15.299 14.066 1.00 1.57 O ATOM 834 CB PRO A 49 -3.018 -14.959 12.426 1.00 1.53 C ATOM 835 CG PRO A 49 -2.750 -13.597 13.062 1.00 1.44 C ATOM 836 CD PRO A 49 -3.489 -12.634 12.132 1.00 1.18 C ATOM 0 HA PRO A 49 -4.580 -15.499 11.037 1.00 1.33 H new ATOM 0 HB2 PRO A 49 -2.955 -15.765 13.157 1.00 1.53 H new ATOM 0 HB3 PRO A 49 -2.298 -15.185 11.639 1.00 1.53 H new ATOM 0 HG2 PRO A 49 -3.131 -13.546 14.082 1.00 1.44 H new ATOM 0 HG3 PRO A 49 -1.684 -13.376 13.108 1.00 1.44 H new ATOM 0 HD2 PRO A 49 -3.905 -11.797 12.693 1.00 1.18 H new ATOM 0 HD3 PRO A 49 -2.810 -12.214 11.390 1.00 1.18 H new ATOM 844 N VAL A 50 -6.764 -15.406 12.342 1.00 1.42 N ATOM 845 CA VAL A 50 -7.918 -15.875 13.135 1.00 1.50 C ATOM 846 C VAL A 50 -7.653 -17.311 13.632 1.00 1.64 C ATOM 847 O VAL A 50 -7.250 -18.151 12.824 1.00 1.74 O ATOM 848 CB VAL A 50 -9.226 -15.882 12.310 1.00 1.51 C ATOM 849 CG1 VAL A 50 -10.446 -16.359 13.117 1.00 1.60 C ATOM 850 CG2 VAL A 50 -9.581 -14.511 11.732 1.00 1.50 C ATOM 0 H VAL A 50 -6.979 -15.265 11.355 1.00 1.42 H new ATOM 0 HA VAL A 50 -8.038 -15.185 13.970 1.00 1.50 H new ATOM 0 HB VAL A 50 -9.013 -16.583 11.503 1.00 1.51 H new ATOM 0 HG11 VAL A 50 -11.332 -16.341 12.482 1.00 1.60 H new ATOM 0 HG12 VAL A 50 -10.274 -17.376 13.471 1.00 1.60 H new ATOM 0 HG13 VAL A 50 -10.598 -15.699 13.971 1.00 1.60 H new ATOM 0 HG21 VAL A 50 -10.509 -14.585 11.165 1.00 1.50 H new ATOM 0 HG22 VAL A 50 -9.708 -13.796 12.544 1.00 1.50 H new ATOM 0 HG23 VAL A 50 -8.779 -14.175 11.075 1.00 1.50 H new ATOM 860 N PRO A 51 -7.887 -17.625 14.924 1.00 1.69 N ATOM 861 CA PRO A 51 -7.664 -18.961 15.476 1.00 1.81 C ATOM 862 C PRO A 51 -8.861 -19.913 15.286 1.00 1.88 C ATOM 863 O PRO A 51 -8.685 -21.130 15.289 1.00 1.99 O ATOM 864 CB PRO A 51 -7.358 -18.713 16.956 1.00 1.87 C ATOM 865 CG PRO A 51 -8.155 -17.458 17.300 1.00 1.82 C ATOM 866 CD PRO A 51 -8.212 -16.678 15.983 1.00 1.67 C ATOM 0 HA PRO A 51 -6.852 -19.471 14.957 1.00 1.81 H new ATOM 0 HB2 PRO A 51 -7.662 -19.559 17.572 1.00 1.87 H new ATOM 0 HB3 PRO A 51 -6.291 -18.565 17.122 1.00 1.87 H new ATOM 0 HG2 PRO A 51 -9.154 -17.706 17.660 1.00 1.82 H new ATOM 0 HG3 PRO A 51 -7.668 -16.879 18.085 1.00 1.82 H new ATOM 0 HD2 PRO A 51 -9.202 -16.249 15.829 1.00 1.67 H new ATOM 0 HD3 PRO A 51 -7.504 -15.849 15.992 1.00 1.67 H new ATOM 874 N PHE A 52 -10.068 -19.367 15.095 1.00 1.85 N ATOM 875 CA PHE A 52 -11.326 -20.101 14.887 1.00 1.95 C ATOM 876 C PHE A 52 -11.564 -20.554 13.429 1.00 1.97 C ATOM 877 O PHE A 52 -12.538 -21.265 13.164 1.00 2.24 O ATOM 878 CB PHE A 52 -12.487 -19.208 15.363 1.00 1.96 C ATOM 879 CG PHE A 52 -12.525 -18.972 16.861 1.00 1.99 C ATOM 880 CD1 PHE A 52 -11.839 -17.882 17.430 1.00 2.20 C ATOM 881 CD2 PHE A 52 -13.253 -19.847 17.690 1.00 2.96 C ATOM 882 CE1 PHE A 52 -11.884 -17.667 18.819 1.00 2.30 C ATOM 883 CE2 PHE A 52 -13.301 -19.629 19.078 1.00 3.01 C ATOM 884 CZ PHE A 52 -12.617 -18.539 19.644 1.00 2.18 C ATOM 0 H PHE A 52 -10.202 -18.356 15.080 1.00 1.85 H new ATOM 0 HA PHE A 52 -11.264 -21.023 15.466 1.00 1.95 H new ATOM 0 HB2 PHE A 52 -12.419 -18.245 14.858 1.00 1.96 H new ATOM 0 HB3 PHE A 52 -13.429 -19.663 15.056 1.00 1.96 H new ATOM 0 HD1 PHE A 52 -11.277 -17.210 16.798 1.00 2.20 H new ATOM 0 HD2 PHE A 52 -13.776 -20.688 17.258 1.00 2.96 H new ATOM 0 HE1 PHE A 52 -11.355 -16.831 19.253 1.00 2.30 H new ATOM 0 HE2 PHE A 52 -13.864 -20.300 19.710 1.00 3.01 H new ATOM 0 HZ PHE A 52 -12.654 -18.372 20.710 1.00 2.18 H new ATOM 894 N THR A 53 -10.701 -20.147 12.486 1.00 1.73 N ATOM 895 CA THR A 53 -10.808 -20.430 11.042 1.00 1.70 C ATOM 896 C THR A 53 -9.417 -20.529 10.413 1.00 1.59 C ATOM 897 O THR A 53 -8.422 -20.249 11.083 1.00 1.55 O ATOM 898 CB THR A 53 -11.735 -19.392 10.371 1.00 1.68 C ATOM 899 OG1 THR A 53 -12.478 -20.082 9.392 1.00 2.07 O ATOM 900 CG2 THR A 53 -11.053 -18.204 9.692 1.00 1.43 C ATOM 0 H THR A 53 -9.877 -19.590 12.714 1.00 1.73 H new ATOM 0 HA THR A 53 -11.273 -21.403 10.880 1.00 1.70 H new ATOM 0 HB THR A 53 -12.327 -18.954 11.174 1.00 1.68 H new ATOM 0 HG1 THR A 53 -13.084 -19.458 8.941 1.00 2.07 H new ATOM 0 HG21 THR A 53 -11.809 -17.549 9.260 1.00 1.43 H new ATOM 0 HG22 THR A 53 -10.470 -17.650 10.428 1.00 1.43 H new ATOM 0 HG23 THR A 53 -10.393 -18.565 8.904 1.00 1.43 H new ATOM 908 N ARG A 54 -9.316 -20.903 9.133 1.00 1.65 N ATOM 909 CA ARG A 54 -8.030 -20.875 8.416 1.00 1.57 C ATOM 910 C ARG A 54 -7.515 -19.423 8.277 1.00 1.24 C ATOM 911 O ARG A 54 -8.311 -18.534 7.954 1.00 1.20 O ATOM 912 CB ARG A 54 -8.150 -21.546 7.038 1.00 1.80 C ATOM 913 CG ARG A 54 -8.315 -23.075 7.087 1.00 2.24 C ATOM 914 CD ARG A 54 -7.069 -23.769 7.660 1.00 2.41 C ATOM 915 NE ARG A 54 -7.111 -25.228 7.455 1.00 2.86 N ATOM 916 CZ ARG A 54 -6.065 -26.047 7.429 1.00 3.30 C ATOM 917 NH1 ARG A 54 -4.831 -25.615 7.605 1.00 3.65 N ATOM 918 NH2 ARG A 54 -6.245 -27.333 7.222 1.00 3.71 N ATOM 0 H ARG A 54 -10.103 -21.228 8.572 1.00 1.65 H new ATOM 0 HA ARG A 54 -7.305 -21.441 9.001 1.00 1.57 H new ATOM 0 HB2 ARG A 54 -9.003 -21.118 6.512 1.00 1.80 H new ATOM 0 HB3 ARG A 54 -7.262 -21.307 6.453 1.00 1.80 H new ATOM 0 HG2 ARG A 54 -9.183 -23.327 7.696 1.00 2.24 H new ATOM 0 HG3 ARG A 54 -8.510 -23.451 6.083 1.00 2.24 H new ATOM 0 HD2 ARG A 54 -6.176 -23.361 7.186 1.00 2.41 H new ATOM 0 HD3 ARG A 54 -6.991 -23.554 8.726 1.00 2.41 H new ATOM 0 HE ARG A 54 -8.030 -25.649 7.320 1.00 2.86 H new ATOM 0 HH11 ARG A 54 -4.656 -24.623 7.767 1.00 3.65 H new ATOM 0 HH12 ARG A 54 -4.052 -26.273 7.579 1.00 3.65 H new ATOM 0 HH21 ARG A 54 -7.186 -27.700 7.082 1.00 3.71 H new ATOM 0 HH22 ARG A 54 -5.443 -27.963 7.202 1.00 3.71 H new ATOM 932 N PRO A 55 -6.211 -19.163 8.503 1.00 1.21 N ATOM 933 CA PRO A 55 -5.655 -17.814 8.511 1.00 1.07 C ATOM 934 C PRO A 55 -5.653 -17.253 7.087 1.00 0.99 C ATOM 935 O PRO A 55 -5.217 -17.918 6.147 1.00 1.07 O ATOM 936 CB PRO A 55 -4.253 -17.947 9.111 1.00 1.37 C ATOM 937 CG PRO A 55 -3.846 -19.379 8.760 1.00 1.60 C ATOM 938 CD PRO A 55 -5.171 -20.145 8.769 1.00 1.51 C ATOM 0 HA PRO A 55 -6.240 -17.111 9.104 1.00 1.07 H new ATOM 0 HB2 PRO A 55 -3.564 -17.218 8.685 1.00 1.37 H new ATOM 0 HB3 PRO A 55 -4.261 -17.785 10.189 1.00 1.37 H new ATOM 0 HG2 PRO A 55 -3.361 -19.430 7.785 1.00 1.60 H new ATOM 0 HG3 PRO A 55 -3.143 -19.785 9.488 1.00 1.60 H new ATOM 0 HD2 PRO A 55 -5.173 -20.928 8.011 1.00 1.51 H new ATOM 0 HD3 PRO A 55 -5.332 -20.632 9.731 1.00 1.51 H new ATOM 946 N LYS A 56 -6.191 -16.041 6.927 1.00 0.98 N ATOM 947 CA LYS A 56 -6.559 -15.484 5.619 1.00 0.96 C ATOM 948 C LYS A 56 -5.669 -14.311 5.165 1.00 0.80 C ATOM 949 O LYS A 56 -5.156 -13.537 5.981 1.00 0.77 O ATOM 950 CB LYS A 56 -8.056 -15.107 5.636 1.00 1.12 C ATOM 951 CG LYS A 56 -8.399 -13.963 6.607 1.00 2.79 C ATOM 952 CD LYS A 56 -9.886 -13.603 6.545 1.00 4.39 C ATOM 953 CE LYS A 56 -10.131 -12.397 7.458 1.00 6.42 C ATOM 954 NZ LYS A 56 -11.515 -11.883 7.349 1.00 7.57 N ATOM 0 H LYS A 56 -6.386 -15.413 7.706 1.00 0.98 H new ATOM 0 HA LYS A 56 -6.384 -16.257 4.870 1.00 0.96 H new ATOM 0 HB2 LYS A 56 -8.360 -14.820 4.629 1.00 1.12 H new ATOM 0 HB3 LYS A 56 -8.639 -15.987 5.906 1.00 1.12 H new ATOM 0 HG2 LYS A 56 -8.136 -14.256 7.624 1.00 2.79 H new ATOM 0 HG3 LYS A 56 -7.800 -13.085 6.363 1.00 2.79 H new ATOM 0 HD2 LYS A 56 -10.177 -13.369 5.521 1.00 4.39 H new ATOM 0 HD3 LYS A 56 -10.495 -14.449 6.863 1.00 4.39 H new ATOM 0 HE2 LYS A 56 -9.931 -12.680 8.492 1.00 6.42 H new ATOM 0 HE3 LYS A 56 -9.429 -11.603 7.203 1.00 6.42 H new ATOM 0 HZ1 LYS A 56 -11.572 -10.943 7.790 1.00 7.57 H new ATOM 0 HZ2 LYS A 56 -11.781 -11.812 6.346 1.00 7.57 H new ATOM 0 HZ3 LYS A 56 -12.166 -12.533 7.834 1.00 7.57 H new ATOM 968 N VAL A 57 -5.555 -14.152 3.845 1.00 0.80 N ATOM 969 CA VAL A 57 -4.979 -12.984 3.160 1.00 0.76 C ATOM 970 C VAL A 57 -6.008 -12.490 2.140 1.00 0.75 C ATOM 971 O VAL A 57 -6.490 -13.270 1.319 1.00 0.82 O ATOM 972 CB VAL A 57 -3.650 -13.334 2.444 1.00 0.93 C ATOM 973 CG1 VAL A 57 -3.083 -12.129 1.671 1.00 1.37 C ATOM 974 CG2 VAL A 57 -2.594 -13.833 3.447 1.00 2.31 C ATOM 0 H VAL A 57 -5.876 -14.865 3.190 1.00 0.80 H new ATOM 0 HA VAL A 57 -4.751 -12.212 3.895 1.00 0.76 H new ATOM 0 HB VAL A 57 -3.878 -14.129 1.734 1.00 0.93 H new ATOM 0 HG11 VAL A 57 -2.151 -12.415 1.183 1.00 1.37 H new ATOM 0 HG12 VAL A 57 -3.803 -11.808 0.918 1.00 1.37 H new ATOM 0 HG13 VAL A 57 -2.893 -11.309 2.364 1.00 1.37 H new ATOM 0 HG21 VAL A 57 -1.672 -14.071 2.916 1.00 2.31 H new ATOM 0 HG22 VAL A 57 -2.397 -13.056 4.185 1.00 2.31 H new ATOM 0 HG23 VAL A 57 -2.964 -14.726 3.950 1.00 2.31 H new ATOM 984 N ALA A 58 -6.328 -11.198 2.194 1.00 0.70 N ATOM 985 CA ALA A 58 -7.173 -10.504 1.224 1.00 0.71 C ATOM 986 C ALA A 58 -6.396 -9.343 0.590 1.00 0.71 C ATOM 987 O ALA A 58 -5.707 -8.595 1.293 1.00 0.59 O ATOM 988 CB ALA A 58 -8.439 -10.009 1.937 1.00 0.71 C ATOM 0 H ALA A 58 -5.995 -10.586 2.939 1.00 0.70 H new ATOM 0 HA ALA A 58 -7.464 -11.182 0.422 1.00 0.71 H new ATOM 0 HB1 ALA A 58 -9.079 -9.489 1.224 1.00 0.71 H new ATOM 0 HB2 ALA A 58 -8.978 -10.860 2.354 1.00 0.71 H new ATOM 0 HB3 ALA A 58 -8.161 -9.326 2.740 1.00 0.71 H new ATOM 994 N PHE A 59 -6.537 -9.175 -0.725 1.00 0.92 N ATOM 995 CA PHE A 59 -5.963 -8.065 -1.484 1.00 0.84 C ATOM 996 C PHE A 59 -7.065 -7.276 -2.205 1.00 0.80 C ATOM 997 O PHE A 59 -8.064 -7.834 -2.663 1.00 0.79 O ATOM 998 CB PHE A 59 -4.855 -8.567 -2.436 1.00 0.77 C ATOM 999 CG PHE A 59 -5.186 -9.773 -3.308 1.00 0.71 C ATOM 1000 CD1 PHE A 59 -6.098 -9.655 -4.376 1.00 1.74 C ATOM 1001 CD2 PHE A 59 -4.557 -11.013 -3.073 1.00 2.06 C ATOM 1002 CE1 PHE A 59 -6.414 -10.774 -5.168 1.00 1.91 C ATOM 1003 CE2 PHE A 59 -4.869 -12.130 -3.869 1.00 1.97 C ATOM 1004 CZ PHE A 59 -5.807 -12.015 -4.910 1.00 0.89 C ATOM 0 H PHE A 59 -7.067 -9.824 -1.306 1.00 0.92 H new ATOM 0 HA PHE A 59 -5.484 -7.371 -0.794 1.00 0.84 H new ATOM 0 HB2 PHE A 59 -4.572 -7.743 -3.091 1.00 0.77 H new ATOM 0 HB3 PHE A 59 -3.979 -8.813 -1.836 1.00 0.77 H new ATOM 0 HD1 PHE A 59 -6.557 -8.700 -4.588 1.00 1.74 H new ATOM 0 HD2 PHE A 59 -3.832 -11.106 -2.278 1.00 2.06 H new ATOM 0 HE1 PHE A 59 -7.124 -10.679 -5.976 1.00 1.91 H new ATOM 0 HE2 PHE A 59 -4.387 -13.078 -3.680 1.00 1.97 H new ATOM 0 HZ PHE A 59 -6.060 -12.877 -5.509 1.00 0.89 H new ATOM 1014 N TYR A 60 -6.866 -5.961 -2.296 1.00 0.80 N ATOM 1015 CA TYR A 60 -7.779 -4.990 -2.901 1.00 0.81 C ATOM 1016 C TYR A 60 -6.992 -4.025 -3.803 1.00 0.79 C ATOM 1017 O TYR A 60 -5.944 -3.502 -3.412 1.00 0.76 O ATOM 1018 CB TYR A 60 -8.520 -4.204 -1.804 1.00 0.91 C ATOM 1019 CG TYR A 60 -9.273 -5.048 -0.789 1.00 0.93 C ATOM 1020 CD1 TYR A 60 -10.226 -5.991 -1.221 1.00 1.61 C ATOM 1021 CD2 TYR A 60 -9.023 -4.891 0.590 1.00 2.02 C ATOM 1022 CE1 TYR A 60 -10.906 -6.793 -0.286 1.00 1.57 C ATOM 1023 CE2 TYR A 60 -9.713 -5.677 1.533 1.00 2.07 C ATOM 1024 CZ TYR A 60 -10.656 -6.637 1.095 1.00 0.94 C ATOM 1025 OH TYR A 60 -11.325 -7.408 1.999 1.00 0.96 O ATOM 0 H TYR A 60 -6.021 -5.522 -1.931 1.00 0.80 H new ATOM 0 HA TYR A 60 -8.513 -5.523 -3.506 1.00 0.81 H new ATOM 0 HB2 TYR A 60 -7.796 -3.587 -1.272 1.00 0.91 H new ATOM 0 HB3 TYR A 60 -9.227 -3.526 -2.282 1.00 0.91 H new ATOM 0 HD1 TYR A 60 -10.436 -6.099 -2.275 1.00 1.61 H new ATOM 0 HD2 TYR A 60 -8.298 -4.164 0.925 1.00 2.02 H new ATOM 0 HE1 TYR A 60 -11.620 -7.529 -0.625 1.00 1.57 H new ATOM 0 HE2 TYR A 60 -9.523 -5.547 2.588 1.00 2.07 H new ATOM 0 HH TYR A 60 -11.035 -7.175 2.906 1.00 0.96 H new ATOM 1035 N THR A 61 -7.504 -3.785 -5.013 1.00 0.81 N ATOM 1036 CA THR A 61 -6.890 -2.956 -6.060 1.00 0.76 C ATOM 1037 C THR A 61 -7.890 -2.733 -7.187 1.00 0.93 C ATOM 1038 O THR A 61 -8.810 -3.531 -7.371 1.00 1.07 O ATOM 1039 CB THR A 61 -5.563 -3.562 -6.558 1.00 0.65 C ATOM 1040 OG1 THR A 61 -5.014 -2.686 -7.508 1.00 0.80 O ATOM 1041 CG2 THR A 61 -5.698 -4.937 -7.216 1.00 0.77 C ATOM 0 H THR A 61 -8.398 -4.180 -5.305 1.00 0.81 H new ATOM 0 HA THR A 61 -6.634 -1.984 -5.639 1.00 0.76 H new ATOM 0 HB THR A 61 -4.935 -3.695 -5.677 1.00 0.65 H new ATOM 0 HG1 THR A 61 -4.502 -3.198 -8.168 1.00 0.80 H new ATOM 0 HG21 THR A 61 -4.716 -5.286 -7.535 1.00 0.77 H new ATOM 0 HG22 THR A 61 -6.119 -5.643 -6.500 1.00 0.77 H new ATOM 0 HG23 THR A 61 -6.356 -4.863 -8.082 1.00 0.77 H new ATOM 1049 N ASN A 62 -7.698 -1.651 -7.938 1.00 0.96 N ATOM 1050 CA ASN A 62 -8.460 -1.349 -9.157 1.00 1.18 C ATOM 1051 C ASN A 62 -7.621 -1.568 -10.435 1.00 0.95 C ATOM 1052 O ASN A 62 -7.924 -1.026 -11.500 1.00 0.93 O ATOM 1053 CB ASN A 62 -9.049 0.063 -9.046 1.00 1.49 C ATOM 1054 CG ASN A 62 -10.187 0.342 -10.030 1.00 2.08 C ATOM 1055 OD1 ASN A 62 -10.829 -0.552 -10.573 1.00 2.79 O ATOM 1056 ND2 ASN A 62 -10.496 1.605 -10.261 1.00 2.39 N ATOM 0 H ASN A 62 -6.997 -0.944 -7.716 1.00 0.96 H new ATOM 0 HA ASN A 62 -9.290 -2.050 -9.248 1.00 1.18 H new ATOM 0 HB2 ASN A 62 -9.415 0.214 -8.031 1.00 1.49 H new ATOM 0 HB3 ASN A 62 -8.254 0.791 -9.210 1.00 1.49 H new ATOM 0 HD21 ASN A 62 -11.266 1.835 -10.889 1.00 2.39 H new ATOM 0 HD22 ASN A 62 -9.965 2.351 -9.811 1.00 2.39 H new ATOM 1063 N TYR A 63 -6.559 -2.377 -10.340 1.00 0.81 N ATOM 1064 CA TYR A 63 -5.730 -2.805 -11.470 1.00 0.68 C ATOM 1065 C TYR A 63 -6.561 -3.420 -12.625 1.00 0.69 C ATOM 1066 O TYR A 63 -7.618 -4.013 -12.369 1.00 0.77 O ATOM 1067 CB TYR A 63 -4.751 -3.880 -10.965 1.00 0.61 C ATOM 1068 CG TYR A 63 -3.552 -3.474 -10.129 1.00 0.57 C ATOM 1069 CD1 TYR A 63 -3.043 -2.160 -10.132 1.00 1.53 C ATOM 1070 CD2 TYR A 63 -2.927 -4.460 -9.343 1.00 1.97 C ATOM 1071 CE1 TYR A 63 -1.954 -1.818 -9.309 1.00 1.56 C ATOM 1072 CE2 TYR A 63 -1.836 -4.125 -8.521 1.00 1.95 C ATOM 1073 CZ TYR A 63 -1.344 -2.800 -8.499 1.00 0.57 C ATOM 1074 OH TYR A 63 -0.281 -2.467 -7.713 1.00 0.65 O ATOM 0 H TYR A 63 -6.245 -2.762 -9.449 1.00 0.81 H new ATOM 0 HA TYR A 63 -5.219 -1.924 -11.858 1.00 0.68 H new ATOM 0 HB2 TYR A 63 -5.328 -4.596 -10.380 1.00 0.61 H new ATOM 0 HB3 TYR A 63 -4.374 -4.412 -11.838 1.00 0.61 H new ATOM 0 HD1 TYR A 63 -3.491 -1.412 -10.769 1.00 1.53 H new ATOM 0 HD2 TYR A 63 -3.287 -5.478 -9.371 1.00 1.97 H new ATOM 0 HE1 TYR A 63 -1.585 -0.803 -9.297 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -1.373 -4.882 -7.905 1.00 1.95 H new ATOM 0 HH TYR A 63 0.364 -3.205 -7.705 1.00 0.65 H new ATOM 1084 N PRO A 64 -6.080 -3.325 -13.883 1.00 0.63 N ATOM 1085 CA PRO A 64 -6.754 -3.900 -15.038 1.00 0.64 C ATOM 1086 C PRO A 64 -6.812 -5.424 -14.912 1.00 0.60 C ATOM 1087 O PRO A 64 -5.877 -6.054 -14.416 1.00 0.55 O ATOM 1088 CB PRO A 64 -5.976 -3.448 -16.280 1.00 0.63 C ATOM 1089 CG PRO A 64 -4.612 -3.008 -15.750 1.00 0.56 C ATOM 1090 CD PRO A 64 -4.875 -2.626 -14.298 1.00 0.59 C ATOM 0 HA PRO A 64 -7.787 -3.561 -15.111 1.00 0.64 H new ATOM 0 HB2 PRO A 64 -5.877 -4.259 -17.001 1.00 0.63 H new ATOM 0 HB3 PRO A 64 -6.485 -2.630 -16.789 1.00 0.63 H new ATOM 0 HG2 PRO A 64 -3.879 -3.812 -15.823 1.00 0.56 H new ATOM 0 HG3 PRO A 64 -4.218 -2.165 -16.318 1.00 0.56 H new ATOM 0 HD2 PRO A 64 -4.031 -2.906 -13.667 1.00 0.59 H new ATOM 0 HD3 PRO A 64 -5.002 -1.548 -14.200 1.00 0.59 H new ATOM 1098 N GLU A 65 -7.902 -6.029 -15.382 1.00 0.65 N ATOM 1099 CA GLU A 65 -8.142 -7.466 -15.251 1.00 0.67 C ATOM 1100 C GLU A 65 -7.051 -8.317 -15.923 1.00 0.62 C ATOM 1101 O GLU A 65 -6.747 -9.404 -15.444 1.00 0.63 O ATOM 1102 CB GLU A 65 -9.526 -7.812 -15.826 1.00 0.77 C ATOM 1103 CG GLU A 65 -9.592 -7.795 -17.362 1.00 0.73 C ATOM 1104 CD GLU A 65 -9.382 -6.395 -17.963 1.00 2.18 C ATOM 1105 OE1 GLU A 65 -10.080 -5.441 -17.548 1.00 2.83 O ATOM 1106 OE2 GLU A 65 -8.488 -6.235 -18.827 1.00 3.88 O ATOM 0 H GLU A 65 -8.649 -5.532 -15.868 1.00 0.65 H new ATOM 0 HA GLU A 65 -8.111 -7.707 -14.188 1.00 0.67 H new ATOM 0 HB2 GLU A 65 -9.817 -8.801 -15.472 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.257 -7.105 -15.434 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -8.835 -8.471 -17.759 1.00 0.73 H new ATOM 0 HG3 GLU A 65 -10.561 -8.179 -17.682 1.00 0.73 H new ATOM 1113 N ALA A 66 -6.431 -7.825 -17.001 1.00 0.59 N ATOM 1114 CA ALA A 66 -5.348 -8.507 -17.709 1.00 0.58 C ATOM 1115 C ALA A 66 -4.100 -8.627 -16.826 1.00 0.53 C ATOM 1116 O ALA A 66 -3.434 -9.661 -16.818 1.00 0.55 O ATOM 1117 CB ALA A 66 -5.054 -7.715 -18.989 1.00 0.58 C ATOM 0 H ALA A 66 -6.675 -6.924 -17.412 1.00 0.59 H new ATOM 0 HA ALA A 66 -5.646 -9.524 -17.962 1.00 0.58 H new ATOM 0 HB1 ALA A 66 -4.248 -8.200 -19.540 1.00 0.58 H new ATOM 0 HB2 ALA A 66 -5.949 -7.681 -19.610 1.00 0.58 H new ATOM 0 HB3 ALA A 66 -4.755 -6.700 -18.728 1.00 0.58 H new ATOM 1123 N TRP A 67 -3.841 -7.591 -16.027 1.00 0.48 N ATOM 1124 CA TRP A 67 -2.745 -7.547 -15.057 1.00 0.43 C ATOM 1125 C TRP A 67 -3.076 -8.376 -13.814 1.00 0.43 C ATOM 1126 O TRP A 67 -2.231 -9.131 -13.338 1.00 0.48 O ATOM 1127 CB TRP A 67 -2.465 -6.081 -14.700 1.00 0.47 C ATOM 1128 CG TRP A 67 -1.413 -5.796 -13.671 1.00 0.53 C ATOM 1129 CD1 TRP A 67 -1.549 -4.863 -12.705 1.00 0.68 C ATOM 1130 CD2 TRP A 67 -0.073 -6.363 -13.480 1.00 0.61 C ATOM 1131 NE1 TRP A 67 -0.443 -4.854 -11.892 1.00 0.81 N ATOM 1132 CE2 TRP A 67 0.519 -5.722 -12.346 1.00 0.81 C ATOM 1133 CE3 TRP A 67 0.720 -7.334 -14.138 1.00 0.65 C ATOM 1134 CZ2 TRP A 67 1.817 -6.000 -11.903 1.00 1.04 C ATOM 1135 CZ3 TRP A 67 2.006 -7.653 -13.666 1.00 0.89 C ATOM 1136 CH2 TRP A 67 2.566 -6.973 -12.575 1.00 1.08 C ATOM 0 H TRP A 67 -4.401 -6.738 -16.036 1.00 0.48 H new ATOM 0 HA TRP A 67 -1.849 -7.986 -15.495 1.00 0.43 H new ATOM 0 HB2 TRP A 67 -2.185 -5.562 -15.617 1.00 0.47 H new ATOM 0 HB3 TRP A 67 -3.399 -5.637 -14.355 1.00 0.47 H new ATOM 0 HD1 TRP A 67 -2.406 -4.216 -12.588 1.00 0.68 H new ATOM 0 HE1 TRP A 67 -0.348 -4.276 -11.057 1.00 0.81 H new ATOM 0 HE3 TRP A 67 0.333 -7.836 -15.013 1.00 0.65 H new ATOM 0 HZ2 TRP A 67 2.234 -5.473 -11.057 1.00 1.04 H new ATOM 0 HZ3 TRP A 67 2.571 -8.434 -14.152 1.00 0.89 H new ATOM 0 HH2 TRP A 67 3.572 -7.199 -12.254 1.00 1.08 H new ATOM 1147 N VAL A 68 -4.319 -8.285 -13.334 1.00 0.48 N ATOM 1148 CA VAL A 68 -4.808 -9.024 -12.155 1.00 0.57 C ATOM 1149 C VAL A 68 -4.872 -10.533 -12.435 1.00 0.69 C ATOM 1150 O VAL A 68 -4.433 -11.329 -11.605 1.00 0.77 O ATOM 1151 CB VAL A 68 -6.183 -8.479 -11.706 1.00 0.66 C ATOM 1152 CG1 VAL A 68 -6.861 -9.296 -10.599 1.00 0.79 C ATOM 1153 CG2 VAL A 68 -6.035 -7.048 -11.172 1.00 0.63 C ATOM 0 H VAL A 68 -5.029 -7.688 -13.757 1.00 0.48 H new ATOM 0 HA VAL A 68 -4.101 -8.872 -11.340 1.00 0.57 H new ATOM 0 HB VAL A 68 -6.806 -8.533 -12.599 1.00 0.66 H new ATOM 0 HG11 VAL A 68 -7.819 -8.842 -10.347 1.00 0.79 H new ATOM 0 HG12 VAL A 68 -7.023 -10.316 -10.947 1.00 0.79 H new ATOM 0 HG13 VAL A 68 -6.223 -9.311 -9.715 1.00 0.79 H new ATOM 0 HG21 VAL A 68 -7.010 -6.674 -10.859 1.00 0.63 H new ATOM 0 HG22 VAL A 68 -5.355 -7.046 -10.320 1.00 0.63 H new ATOM 0 HG23 VAL A 68 -5.635 -6.406 -11.957 1.00 0.63 H new ATOM 1163 N SER A 69 -5.362 -10.938 -13.612 1.00 0.71 N ATOM 1164 CA SER A 69 -5.380 -12.351 -14.012 1.00 0.81 C ATOM 1165 C SER A 69 -3.962 -12.889 -14.221 1.00 0.82 C ATOM 1166 O SER A 69 -3.643 -13.949 -13.698 1.00 0.93 O ATOM 1167 CB SER A 69 -6.214 -12.537 -15.286 1.00 0.84 C ATOM 1168 OG SER A 69 -6.471 -13.912 -15.538 1.00 0.96 O ATOM 0 H SER A 69 -5.754 -10.304 -14.308 1.00 0.71 H new ATOM 0 HA SER A 69 -5.839 -12.920 -13.204 1.00 0.81 H new ATOM 0 HB2 SER A 69 -7.158 -12.000 -15.187 1.00 0.84 H new ATOM 0 HB3 SER A 69 -5.687 -12.102 -16.135 1.00 0.84 H new ATOM 0 HG SER A 69 -7.005 -14.001 -16.355 1.00 0.96 H new ATOM 1174 N TYR A 70 -3.064 -12.148 -14.885 1.00 0.73 N ATOM 1175 CA TYR A 70 -1.651 -12.517 -15.040 1.00 0.76 C ATOM 1176 C TYR A 70 -0.968 -12.750 -13.684 1.00 0.68 C ATOM 1177 O TYR A 70 -0.264 -13.748 -13.514 1.00 0.79 O ATOM 1178 CB TYR A 70 -0.970 -11.406 -15.841 1.00 0.71 C ATOM 1179 CG TYR A 70 0.497 -11.630 -16.110 1.00 0.82 C ATOM 1180 CD1 TYR A 70 0.886 -12.523 -17.122 1.00 1.61 C ATOM 1181 CD2 TYR A 70 1.466 -10.935 -15.367 1.00 2.07 C ATOM 1182 CE1 TYR A 70 2.251 -12.704 -17.416 1.00 1.60 C ATOM 1183 CE2 TYR A 70 2.829 -11.099 -15.666 1.00 2.22 C ATOM 1184 CZ TYR A 70 3.229 -11.974 -16.703 1.00 1.12 C ATOM 1185 OH TYR A 70 4.549 -12.123 -17.006 1.00 1.29 O ATOM 0 H TYR A 70 -3.302 -11.264 -15.335 1.00 0.73 H new ATOM 0 HA TYR A 70 -1.568 -13.464 -15.573 1.00 0.76 H new ATOM 0 HB2 TYR A 70 -1.487 -11.295 -16.794 1.00 0.71 H new ATOM 0 HB3 TYR A 70 -1.087 -10.465 -15.303 1.00 0.71 H new ATOM 0 HD1 TYR A 70 0.138 -13.071 -17.675 1.00 1.61 H new ATOM 0 HD2 TYR A 70 1.164 -10.276 -14.567 1.00 2.07 H new ATOM 0 HE1 TYR A 70 2.550 -13.400 -18.186 1.00 1.60 H new ATOM 0 HE2 TYR A 70 3.573 -10.556 -15.103 1.00 2.22 H new ATOM 0 HH TYR A 70 5.086 -11.548 -16.421 1.00 1.29 H new ATOM 1195 N TYR A 71 -1.245 -11.891 -12.699 1.00 0.52 N ATOM 1196 CA TYR A 71 -0.758 -12.024 -11.325 1.00 0.46 C ATOM 1197 C TYR A 71 -1.167 -13.354 -10.678 1.00 0.65 C ATOM 1198 O TYR A 71 -0.339 -14.048 -10.087 1.00 0.71 O ATOM 1199 CB TYR A 71 -1.279 -10.846 -10.481 1.00 0.50 C ATOM 1200 CG TYR A 71 -0.221 -10.221 -9.607 1.00 0.99 C ATOM 1201 CD1 TYR A 71 0.235 -10.890 -8.455 1.00 1.55 C ATOM 1202 CD2 TYR A 71 0.323 -8.975 -9.965 1.00 2.61 C ATOM 1203 CE1 TYR A 71 1.244 -10.316 -7.661 1.00 2.22 C ATOM 1204 CE2 TYR A 71 1.329 -8.399 -9.177 1.00 3.56 C ATOM 1205 CZ TYR A 71 1.803 -9.071 -8.029 1.00 3.06 C ATOM 1206 OH TYR A 71 2.812 -8.526 -7.300 1.00 4.12 O ATOM 0 H TYR A 71 -1.827 -11.065 -12.839 1.00 0.52 H new ATOM 0 HA TYR A 71 0.331 -12.011 -11.361 1.00 0.46 H new ATOM 0 HB2 TYR A 71 -1.687 -10.085 -11.146 1.00 0.50 H new ATOM 0 HB3 TYR A 71 -2.100 -11.193 -9.853 1.00 0.50 H new ATOM 0 HD1 TYR A 71 -0.190 -11.844 -8.181 1.00 1.55 H new ATOM 0 HD2 TYR A 71 -0.034 -8.462 -10.846 1.00 2.61 H new ATOM 0 HE1 TYR A 71 1.590 -10.825 -6.773 1.00 2.22 H new ATOM 0 HE2 TYR A 71 1.743 -7.439 -9.448 1.00 3.56 H new ATOM 0 HH TYR A 71 2.615 -8.623 -6.345 1.00 4.12 H new ATOM 1216 N GLN A 72 -2.448 -13.705 -10.794 1.00 0.78 N ATOM 1217 CA GLN A 72 -3.016 -14.939 -10.252 1.00 0.96 C ATOM 1218 C GLN A 72 -2.601 -16.189 -11.043 1.00 1.07 C ATOM 1219 O GLN A 72 -2.334 -17.230 -10.447 1.00 1.18 O ATOM 1220 CB GLN A 72 -4.547 -14.788 -10.197 1.00 1.06 C ATOM 1221 CG GLN A 72 -4.977 -13.885 -9.027 1.00 1.05 C ATOM 1222 CD GLN A 72 -6.479 -13.972 -8.761 1.00 1.36 C ATOM 1223 OE1 GLN A 72 -7.297 -13.335 -9.414 1.00 2.32 O ATOM 1224 NE2 GLN A 72 -6.908 -14.777 -7.807 1.00 2.52 N ATOM 0 H GLN A 72 -3.134 -13.126 -11.278 1.00 0.78 H new ATOM 0 HA GLN A 72 -2.619 -15.090 -9.248 1.00 0.96 H new ATOM 0 HB2 GLN A 72 -4.907 -14.367 -11.136 1.00 1.06 H new ATOM 0 HB3 GLN A 72 -5.008 -15.770 -10.090 1.00 1.06 H new ATOM 0 HG2 GLN A 72 -4.432 -14.172 -8.128 1.00 1.05 H new ATOM 0 HG3 GLN A 72 -4.707 -12.852 -9.247 1.00 1.05 H new ATOM 0 HE21 GLN A 72 -6.240 -15.314 -7.254 1.00 2.52 H new ATOM 0 HE22 GLN A 72 -7.908 -14.862 -7.622 1.00 2.52 H new ATOM 1233 N ALA A 73 -2.529 -16.093 -12.373 1.00 1.08 N ATOM 1234 CA ALA A 73 -2.342 -17.217 -13.294 1.00 1.26 C ATOM 1235 C ALA A 73 -0.912 -17.778 -13.259 1.00 1.32 C ATOM 1236 O ALA A 73 -0.711 -18.992 -13.289 1.00 1.49 O ATOM 1237 CB ALA A 73 -2.722 -16.727 -14.703 1.00 1.25 C ATOM 0 H ALA A 73 -2.602 -15.197 -12.856 1.00 1.08 H new ATOM 0 HA ALA A 73 -2.982 -18.046 -12.990 1.00 1.26 H new ATOM 0 HB1 ALA A 73 -2.595 -17.540 -15.418 1.00 1.25 H new ATOM 0 HB2 ALA A 73 -3.762 -16.400 -14.706 1.00 1.25 H new ATOM 0 HB3 ALA A 73 -2.079 -15.893 -14.984 1.00 1.25 H new ATOM 1243 N LYS A 74 0.081 -16.887 -13.175 1.00 1.21 N ATOM 1244 CA LYS A 74 1.504 -17.216 -13.008 1.00 1.32 C ATOM 1245 C LYS A 74 1.943 -17.262 -11.525 1.00 1.29 C ATOM 1246 O LYS A 74 3.099 -17.565 -11.228 1.00 1.37 O ATOM 1247 CB LYS A 74 2.302 -16.178 -13.816 1.00 1.31 C ATOM 1248 CG LYS A 74 2.583 -16.562 -15.276 1.00 1.43 C ATOM 1249 CD LYS A 74 1.397 -16.962 -16.166 1.00 1.50 C ATOM 1250 CE LYS A 74 0.558 -15.741 -16.555 1.00 1.63 C ATOM 1251 NZ LYS A 74 -0.553 -16.110 -17.473 1.00 1.97 N ATOM 0 H LYS A 74 -0.087 -15.882 -13.223 1.00 1.21 H new ATOM 0 HA LYS A 74 1.696 -18.223 -13.379 1.00 1.32 H new ATOM 0 HB2 LYS A 74 1.757 -15.234 -13.804 1.00 1.31 H new ATOM 0 HB3 LYS A 74 3.253 -16.003 -13.313 1.00 1.31 H new ATOM 0 HG2 LYS A 74 3.085 -15.719 -15.751 1.00 1.43 H new ATOM 0 HG3 LYS A 74 3.290 -17.392 -15.271 1.00 1.43 H new ATOM 0 HD2 LYS A 74 1.765 -17.455 -17.066 1.00 1.50 H new ATOM 0 HD3 LYS A 74 0.772 -17.683 -15.640 1.00 1.50 H new ATOM 0 HE2 LYS A 74 0.150 -15.278 -15.657 1.00 1.63 H new ATOM 0 HE3 LYS A 74 1.196 -14.998 -17.035 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 -1.100 -15.259 -17.716 1.00 1.97 H new ATOM 0 HZ2 LYS A 74 -0.162 -16.529 -18.341 1.00 1.97 H new ATOM 0 HZ3 LYS A 74 -1.175 -16.800 -17.005 1.00 1.97 H new ATOM 1265 N ASN A 75 1.026 -16.963 -10.595 1.00 1.18 N ATOM 1266 CA ASN A 75 1.187 -17.077 -9.136 1.00 1.15 C ATOM 1267 C ASN A 75 2.224 -16.076 -8.569 1.00 0.92 C ATOM 1268 O ASN A 75 3.006 -16.410 -7.674 1.00 0.86 O ATOM 1269 CB ASN A 75 1.483 -18.532 -8.711 1.00 1.49 C ATOM 1270 CG ASN A 75 0.663 -19.597 -9.439 1.00 2.12 C ATOM 1271 OD1 ASN A 75 1.203 -20.448 -10.137 1.00 3.20 O ATOM 1272 ND2 ASN A 75 -0.652 -19.589 -9.314 1.00 2.01 N ATOM 0 H ASN A 75 0.102 -16.616 -10.852 1.00 1.18 H new ATOM 0 HA ASN A 75 0.231 -16.799 -8.691 1.00 1.15 H new ATOM 0 HB2 ASN A 75 2.541 -18.734 -8.875 1.00 1.49 H new ATOM 0 HB3 ASN A 75 1.303 -18.626 -7.640 1.00 1.49 H new ATOM 0 HD21 ASN A 75 -1.215 -20.289 -9.797 1.00 2.01 H new ATOM 0 HD22 ASN A 75 -1.105 -18.883 -8.734 1.00 2.01 H new ATOM 1279 N PHE A 76 2.258 -14.841 -9.090 1.00 0.86 N ATOM 1280 CA PHE A 76 3.304 -13.848 -8.811 1.00 0.80 C ATOM 1281 C PHE A 76 3.394 -13.407 -7.342 1.00 0.79 C ATOM 1282 O PHE A 76 4.436 -12.902 -6.933 1.00 0.78 O ATOM 1283 CB PHE A 76 3.092 -12.631 -9.722 1.00 0.71 C ATOM 1284 CG PHE A 76 3.751 -12.748 -11.081 1.00 0.79 C ATOM 1285 CD1 PHE A 76 5.120 -12.454 -11.217 1.00 1.86 C ATOM 1286 CD2 PHE A 76 3.006 -13.126 -12.210 1.00 1.50 C ATOM 1287 CE1 PHE A 76 5.743 -12.522 -12.476 1.00 1.92 C ATOM 1288 CE2 PHE A 76 3.632 -13.200 -13.466 1.00 1.51 C ATOM 1289 CZ PHE A 76 4.997 -12.904 -13.601 1.00 0.95 C ATOM 0 H PHE A 76 1.543 -14.498 -9.731 1.00 0.86 H new ATOM 0 HA PHE A 76 4.257 -14.334 -9.019 1.00 0.80 H new ATOM 0 HB2 PHE A 76 2.022 -12.478 -9.862 1.00 0.71 H new ATOM 0 HB3 PHE A 76 3.477 -11.744 -9.219 1.00 0.71 H new ATOM 0 HD1 PHE A 76 5.697 -12.174 -10.348 1.00 1.86 H new ATOM 0 HD2 PHE A 76 1.956 -13.359 -12.113 1.00 1.50 H new ATOM 0 HE1 PHE A 76 6.791 -12.281 -12.576 1.00 1.92 H new ATOM 0 HE2 PHE A 76 3.058 -13.487 -14.334 1.00 1.51 H new ATOM 0 HZ PHE A 76 5.472 -12.970 -14.569 1.00 0.95 H new ATOM 1299 N LEU A 77 2.380 -13.676 -6.512 1.00 0.79 N ATOM 1300 CA LEU A 77 2.456 -13.444 -5.062 1.00 0.83 C ATOM 1301 C LEU A 77 3.567 -14.271 -4.381 1.00 0.76 C ATOM 1302 O LEU A 77 4.049 -13.885 -3.318 1.00 0.83 O ATOM 1303 CB LEU A 77 1.085 -13.708 -4.417 1.00 0.92 C ATOM 1304 CG LEU A 77 -0.009 -12.736 -4.919 1.00 1.37 C ATOM 1305 CD1 LEU A 77 -1.041 -13.467 -5.766 1.00 1.64 C ATOM 1306 CD2 LEU A 77 -0.707 -11.962 -3.804 1.00 1.92 C ATOM 0 H LEU A 77 1.487 -14.059 -6.823 1.00 0.79 H new ATOM 0 HA LEU A 77 2.726 -12.399 -4.910 1.00 0.83 H new ATOM 0 HB2 LEU A 77 0.780 -14.733 -4.629 1.00 0.92 H new ATOM 0 HB3 LEU A 77 1.175 -13.620 -3.334 1.00 0.92 H new ATOM 0 HG LEU A 77 0.515 -12.000 -5.529 1.00 1.37 H new ATOM 0 HD11 LEU A 77 -1.799 -12.761 -6.106 1.00 1.64 H new ATOM 0 HD12 LEU A 77 -0.551 -13.917 -6.629 1.00 1.64 H new ATOM 0 HD13 LEU A 77 -1.514 -14.247 -5.170 1.00 1.64 H new ATOM 0 HD21 LEU A 77 -1.460 -11.302 -4.235 1.00 1.92 H new ATOM 0 HD22 LEU A 77 -1.187 -12.662 -3.120 1.00 1.92 H new ATOM 0 HD23 LEU A 77 0.027 -11.368 -3.259 1.00 1.92 H new ATOM 1318 N ALA A 78 4.022 -15.363 -5.007 1.00 0.68 N ATOM 1319 CA ALA A 78 5.168 -16.155 -4.554 1.00 0.67 C ATOM 1320 C ALA A 78 6.522 -15.440 -4.735 1.00 0.65 C ATOM 1321 O ALA A 78 7.482 -15.770 -4.034 1.00 0.67 O ATOM 1322 CB ALA A 78 5.154 -17.482 -5.323 1.00 0.70 C ATOM 0 H ALA A 78 3.595 -15.726 -5.859 1.00 0.68 H new ATOM 0 HA ALA A 78 5.068 -16.316 -3.481 1.00 0.67 H new ATOM 0 HB1 ALA A 78 5.998 -18.095 -5.006 1.00 0.70 H new ATOM 0 HB2 ALA A 78 4.224 -18.012 -5.118 1.00 0.70 H new ATOM 0 HB3 ALA A 78 5.230 -17.284 -6.392 1.00 0.70 H new ATOM 1328 N ILE A 79 6.616 -14.482 -5.668 1.00 0.65 N ATOM 1329 CA ILE A 79 7.866 -13.778 -6.023 1.00 0.64 C ATOM 1330 C ILE A 79 7.820 -12.268 -5.728 1.00 0.57 C ATOM 1331 O ILE A 79 8.848 -11.597 -5.782 1.00 0.60 O ATOM 1332 CB ILE A 79 8.302 -14.108 -7.475 1.00 0.69 C ATOM 1333 CG1 ILE A 79 7.519 -13.382 -8.596 1.00 0.73 C ATOM 1334 CG2 ILE A 79 8.240 -15.627 -7.728 1.00 0.73 C ATOM 1335 CD1 ILE A 79 8.374 -12.308 -9.276 1.00 0.91 C ATOM 0 H ILE A 79 5.812 -14.165 -6.210 1.00 0.65 H new ATOM 0 HA ILE A 79 8.645 -14.160 -5.363 1.00 0.64 H new ATOM 0 HB ILE A 79 9.324 -13.732 -7.534 1.00 0.69 H new ATOM 0 HG12 ILE A 79 7.188 -14.108 -9.338 1.00 0.73 H new ATOM 0 HG13 ILE A 79 6.623 -12.924 -8.177 1.00 0.73 H new ATOM 0 HG21 ILE A 79 8.549 -15.838 -8.752 1.00 0.73 H new ATOM 0 HG22 ILE A 79 8.907 -16.139 -7.034 1.00 0.73 H new ATOM 0 HG23 ILE A 79 7.220 -15.980 -7.577 1.00 0.73 H new ATOM 0 HD11 ILE A 79 7.791 -11.820 -10.057 1.00 0.91 H new ATOM 0 HD12 ILE A 79 8.683 -11.568 -8.538 1.00 0.91 H new ATOM 0 HD13 ILE A 79 9.257 -12.771 -9.717 1.00 0.91 H new ATOM 1347 N ASP A 80 6.648 -11.741 -5.366 1.00 0.52 N ATOM 1348 CA ASP A 80 6.417 -10.362 -4.939 1.00 0.47 C ATOM 1349 C ASP A 80 6.966 -10.108 -3.515 1.00 0.47 C ATOM 1350 O ASP A 80 6.505 -10.749 -2.563 1.00 0.52 O ATOM 1351 CB ASP A 80 4.905 -10.084 -4.993 1.00 0.54 C ATOM 1352 CG ASP A 80 4.509 -8.692 -4.472 1.00 1.07 C ATOM 1353 OD1 ASP A 80 5.404 -7.839 -4.265 1.00 2.15 O ATOM 1354 OD2 ASP A 80 3.299 -8.473 -4.245 1.00 2.22 O ATOM 0 H ASP A 80 5.791 -12.295 -5.363 1.00 0.52 H new ATOM 0 HA ASP A 80 6.948 -9.686 -5.609 1.00 0.47 H new ATOM 0 HB2 ASP A 80 4.563 -10.187 -6.023 1.00 0.54 H new ATOM 0 HB3 ASP A 80 4.385 -10.842 -4.407 1.00 0.54 H new ATOM 1359 N PRO A 81 7.898 -9.150 -3.332 1.00 0.49 N ATOM 1360 CA PRO A 81 8.420 -8.789 -2.023 1.00 0.54 C ATOM 1361 C PRO A 81 7.546 -7.784 -1.255 1.00 0.56 C ATOM 1362 O PRO A 81 7.750 -7.662 -0.050 1.00 0.61 O ATOM 1363 CB PRO A 81 9.802 -8.201 -2.311 1.00 0.61 C ATOM 1364 CG PRO A 81 9.611 -7.520 -3.664 1.00 0.62 C ATOM 1365 CD PRO A 81 8.620 -8.432 -4.377 1.00 0.58 C ATOM 0 HA PRO A 81 8.446 -9.663 -1.372 1.00 0.54 H new ATOM 0 HB2 PRO A 81 10.107 -7.492 -1.542 1.00 0.61 H new ATOM 0 HB3 PRO A 81 10.569 -8.975 -2.353 1.00 0.61 H new ATOM 0 HG2 PRO A 81 9.220 -6.509 -3.554 1.00 0.62 H new ATOM 0 HG3 PRO A 81 10.551 -7.441 -4.211 1.00 0.62 H new ATOM 0 HD2 PRO A 81 7.934 -7.853 -4.995 1.00 0.58 H new ATOM 0 HD3 PRO A 81 9.138 -9.126 -5.039 1.00 0.58 H new ATOM 1373 N VAL A 82 6.586 -7.075 -1.877 1.00 0.57 N ATOM 1374 CA VAL A 82 5.840 -5.991 -1.191 1.00 0.66 C ATOM 1375 C VAL A 82 4.762 -6.513 -0.226 1.00 0.65 C ATOM 1376 O VAL A 82 4.194 -5.741 0.545 1.00 0.76 O ATOM 1377 CB VAL A 82 5.270 -4.907 -2.141 1.00 0.92 C ATOM 1378 CG1 VAL A 82 6.231 -4.553 -3.293 1.00 2.35 C ATOM 1379 CG2 VAL A 82 3.863 -5.181 -2.685 1.00 1.49 C ATOM 0 H VAL A 82 6.306 -7.228 -2.846 1.00 0.57 H new ATOM 0 HA VAL A 82 6.600 -5.493 -0.589 1.00 0.66 H new ATOM 0 HB VAL A 82 5.172 -4.040 -1.487 1.00 0.92 H new ATOM 0 HG11 VAL A 82 5.777 -3.789 -3.924 1.00 2.35 H new ATOM 0 HG12 VAL A 82 7.167 -4.175 -2.883 1.00 2.35 H new ATOM 0 HG13 VAL A 82 6.429 -5.444 -3.888 1.00 2.35 H new ATOM 0 HG21 VAL A 82 3.560 -4.363 -3.338 1.00 1.49 H new ATOM 0 HG22 VAL A 82 3.866 -6.113 -3.249 1.00 1.49 H new ATOM 0 HG23 VAL A 82 3.161 -5.262 -1.855 1.00 1.49 H new ATOM 1389 N LEU A 83 4.506 -7.825 -0.251 1.00 0.64 N ATOM 1390 CA LEU A 83 3.703 -8.558 0.733 1.00 0.70 C ATOM 1391 C LEU A 83 4.562 -9.372 1.717 1.00 0.72 C ATOM 1392 O LEU A 83 4.018 -10.016 2.610 1.00 0.78 O ATOM 1393 CB LEU A 83 2.661 -9.412 -0.026 1.00 0.74 C ATOM 1394 CG LEU A 83 3.194 -10.491 -1.005 1.00 0.72 C ATOM 1395 CD1 LEU A 83 3.713 -11.753 -0.295 1.00 0.77 C ATOM 1396 CD2 LEU A 83 2.062 -10.908 -1.953 1.00 0.83 C ATOM 0 H LEU A 83 4.868 -8.430 -0.988 1.00 0.64 H new ATOM 0 HA LEU A 83 3.176 -7.848 1.371 1.00 0.70 H new ATOM 0 HB2 LEU A 83 2.032 -9.909 0.712 1.00 0.74 H new ATOM 0 HB3 LEU A 83 2.018 -8.736 -0.589 1.00 0.74 H new ATOM 0 HG LEU A 83 4.032 -10.044 -1.540 1.00 0.72 H new ATOM 0 HD11 LEU A 83 4.071 -12.467 -1.037 1.00 0.77 H new ATOM 0 HD12 LEU A 83 4.531 -11.484 0.374 1.00 0.77 H new ATOM 0 HD13 LEU A 83 2.906 -12.204 0.282 1.00 0.77 H new ATOM 0 HD21 LEU A 83 2.428 -11.667 -2.645 1.00 0.83 H new ATOM 0 HD22 LEU A 83 1.233 -11.315 -1.373 1.00 0.83 H new ATOM 0 HD23 LEU A 83 1.719 -10.039 -2.515 1.00 0.83 H new ATOM 1408 N ASN A 84 5.891 -9.394 1.558 1.00 0.70 N ATOM 1409 CA ASN A 84 6.775 -10.273 2.326 1.00 0.71 C ATOM 1410 C ASN A 84 7.538 -9.510 3.428 1.00 0.63 C ATOM 1411 O ASN A 84 8.489 -8.800 3.090 1.00 0.61 O ATOM 1412 CB ASN A 84 7.762 -10.968 1.374 1.00 0.75 C ATOM 1413 CG ASN A 84 8.558 -12.062 2.093 1.00 1.21 C ATOM 1414 OD1 ASN A 84 8.500 -12.200 3.310 1.00 2.07 O ATOM 1415 ND2 ASN A 84 9.335 -12.861 1.389 1.00 1.43 N ATOM 0 H ASN A 84 6.383 -8.800 0.890 1.00 0.70 H new ATOM 0 HA ASN A 84 6.156 -11.019 2.824 1.00 0.71 H new ATOM 0 HB2 ASN A 84 7.216 -11.404 0.537 1.00 0.75 H new ATOM 0 HB3 ASN A 84 8.448 -10.231 0.958 1.00 0.75 H new ATOM 0 HD21 ASN A 84 9.880 -13.585 1.857 1.00 1.43 H new ATOM 0 HD22 ASN A 84 9.391 -12.755 0.376 1.00 1.43 H new ATOM 1422 N PRO A 85 7.219 -9.698 4.729 1.00 0.65 N ATOM 1423 CA PRO A 85 7.862 -8.974 5.828 1.00 0.66 C ATOM 1424 C PRO A 85 9.372 -9.250 5.963 1.00 0.78 C ATOM 1425 O PRO A 85 10.063 -8.463 6.607 1.00 0.93 O ATOM 1426 CB PRO A 85 7.092 -9.375 7.092 1.00 0.71 C ATOM 1427 CG PRO A 85 6.537 -10.755 6.751 1.00 0.76 C ATOM 1428 CD PRO A 85 6.235 -10.635 5.260 1.00 0.77 C ATOM 0 HA PRO A 85 7.817 -7.901 5.643 1.00 0.66 H new ATOM 0 HB2 PRO A 85 7.744 -9.410 7.965 1.00 0.71 H new ATOM 0 HB3 PRO A 85 6.295 -8.667 7.318 1.00 0.71 H new ATOM 0 HG2 PRO A 85 7.260 -11.544 6.956 1.00 0.76 H new ATOM 0 HG3 PRO A 85 5.642 -10.986 7.328 1.00 0.76 H new ATOM 0 HD2 PRO A 85 6.312 -11.604 4.766 1.00 0.77 H new ATOM 0 HD3 PRO A 85 5.221 -10.272 5.095 1.00 0.77 H new ATOM 1436 N GLU A 86 9.903 -10.313 5.339 1.00 0.86 N ATOM 1437 CA GLU A 86 11.340 -10.625 5.327 1.00 1.09 C ATOM 1438 C GLU A 86 12.196 -9.541 4.638 1.00 0.95 C ATOM 1439 O GLU A 86 13.372 -9.385 4.976 1.00 1.16 O ATOM 1440 CB GLU A 86 11.581 -11.964 4.610 1.00 1.35 C ATOM 1441 CG GLU A 86 10.925 -13.171 5.300 1.00 1.69 C ATOM 1442 CD GLU A 86 11.180 -14.475 4.524 1.00 2.49 C ATOM 1443 OE1 GLU A 86 10.873 -14.548 3.309 1.00 3.66 O ATOM 1444 OE2 GLU A 86 11.683 -15.450 5.134 1.00 2.84 O ATOM 0 H GLU A 86 9.339 -10.988 4.822 1.00 0.86 H new ATOM 0 HA GLU A 86 11.647 -10.676 6.372 1.00 1.09 H new ATOM 0 HB2 GLU A 86 11.202 -11.892 3.590 1.00 1.35 H new ATOM 0 HB3 GLU A 86 12.655 -12.138 4.540 1.00 1.35 H new ATOM 0 HG2 GLU A 86 11.315 -13.268 6.313 1.00 1.69 H new ATOM 0 HG3 GLU A 86 9.852 -13.002 5.386 1.00 1.69 H new ATOM 1451 N ASN A 87 11.636 -8.791 3.675 1.00 0.70 N ATOM 1452 CA ASN A 87 12.379 -7.801 2.878 1.00 0.69 C ATOM 1453 C ASN A 87 12.412 -6.394 3.524 1.00 0.74 C ATOM 1454 O ASN A 87 13.300 -5.587 3.233 1.00 0.86 O ATOM 1455 CB ASN A 87 11.779 -7.770 1.457 1.00 0.70 C ATOM 1456 CG ASN A 87 12.819 -7.448 0.379 1.00 1.22 C ATOM 1457 OD1 ASN A 87 12.839 -8.199 -0.709 1.00 2.63 O flip ATOM 1458 ND2 ASN A 87 13.638 -6.548 0.497 1.00 1.54 N flip ATOM 0 H ASN A 87 10.649 -8.855 3.426 1.00 0.70 H new ATOM 0 HA ASN A 87 13.424 -8.108 2.833 1.00 0.69 H new ATOM 0 HB2 ASN A 87 11.324 -8.736 1.239 1.00 0.70 H new ATOM 0 HB3 ASN A 87 10.983 -7.027 1.420 1.00 0.70 H new ATOM 0 HD21 ASN A 87 13.634 -5.961 1.331 1.00 1.54 H new ATOM 0 HD22 ASN A 87 14.325 -6.384 -0.239 1.00 1.54 H new ATOM 1465 N PHE A 88 11.470 -6.089 4.426 1.00 0.70 N ATOM 1466 CA PHE A 88 11.283 -4.772 5.055 1.00 0.74 C ATOM 1467 C PHE A 88 12.308 -4.534 6.182 1.00 0.82 C ATOM 1468 O PHE A 88 11.974 -4.491 7.365 1.00 0.89 O ATOM 1469 CB PHE A 88 9.831 -4.639 5.543 1.00 0.71 C ATOM 1470 CG PHE A 88 8.806 -4.595 4.428 1.00 0.64 C ATOM 1471 CD1 PHE A 88 8.384 -5.782 3.812 1.00 2.02 C ATOM 1472 CD2 PHE A 88 8.277 -3.368 3.999 1.00 1.87 C ATOM 1473 CE1 PHE A 88 7.440 -5.761 2.770 1.00 1.96 C ATOM 1474 CE2 PHE A 88 7.303 -3.339 2.991 1.00 1.93 C ATOM 1475 CZ PHE A 88 6.892 -4.530 2.367 1.00 0.58 C ATOM 0 H PHE A 88 10.791 -6.777 4.751 1.00 0.70 H new ATOM 0 HA PHE A 88 11.465 -3.992 4.315 1.00 0.74 H new ATOM 0 HB2 PHE A 88 9.602 -5.478 6.200 1.00 0.71 H new ATOM 0 HB3 PHE A 88 9.741 -3.732 6.141 1.00 0.71 H new ATOM 0 HD1 PHE A 88 8.790 -6.726 4.143 1.00 2.02 H new ATOM 0 HD2 PHE A 88 8.620 -2.446 4.445 1.00 1.87 H new ATOM 0 HE1 PHE A 88 7.140 -6.678 2.285 1.00 1.96 H new ATOM 0 HE2 PHE A 88 6.866 -2.397 2.692 1.00 1.93 H new ATOM 0 HZ PHE A 88 6.155 -4.500 1.578 1.00 0.58 H new ATOM 1485 N SER A 89 13.580 -4.378 5.815 1.00 0.82 N ATOM 1486 CA SER A 89 14.718 -4.381 6.758 1.00 0.88 C ATOM 1487 C SER A 89 14.800 -3.116 7.634 1.00 0.91 C ATOM 1488 O SER A 89 15.409 -3.140 8.706 1.00 0.99 O ATOM 1489 CB SER A 89 16.036 -4.572 5.990 1.00 0.90 C ATOM 1490 OG SER A 89 16.100 -5.848 5.359 1.00 0.97 O ATOM 0 H SER A 89 13.861 -4.244 4.844 1.00 0.82 H new ATOM 0 HA SER A 89 14.550 -5.216 7.438 1.00 0.88 H new ATOM 0 HB2 SER A 89 16.135 -3.789 5.238 1.00 0.90 H new ATOM 0 HB3 SER A 89 16.876 -4.463 6.676 1.00 0.90 H new ATOM 0 HG SER A 89 16.950 -5.933 4.879 1.00 0.97 H new ATOM 1496 N GLN A 90 14.158 -2.022 7.209 1.00 0.88 N ATOM 1497 CA GLN A 90 13.942 -0.800 7.999 1.00 0.92 C ATOM 1498 C GLN A 90 12.436 -0.472 8.119 1.00 0.89 C ATOM 1499 O GLN A 90 12.056 0.686 8.306 1.00 0.91 O ATOM 1500 CB GLN A 90 14.753 0.360 7.384 1.00 0.95 C ATOM 1501 CG GLN A 90 16.271 0.122 7.473 1.00 1.01 C ATOM 1502 CD GLN A 90 17.071 1.345 7.021 1.00 1.64 C ATOM 1503 OE1 GLN A 90 17.587 2.118 7.821 1.00 2.25 O ATOM 1504 NE2 GLN A 90 17.201 1.584 5.731 1.00 2.90 N ATOM 0 H GLN A 90 13.759 -1.959 6.272 1.00 0.88 H new ATOM 0 HA GLN A 90 14.300 -0.958 9.016 1.00 0.92 H new ATOM 0 HB2 GLN A 90 14.468 0.486 6.340 1.00 0.95 H new ATOM 0 HB3 GLN A 90 14.502 1.288 7.897 1.00 0.95 H new ATOM 0 HG2 GLN A 90 16.539 -0.127 8.500 1.00 1.01 H new ATOM 0 HG3 GLN A 90 16.540 -0.735 6.856 1.00 1.01 H new ATOM 0 HE21 GLN A 90 16.779 0.952 5.050 1.00 2.90 H new ATOM 0 HE22 GLN A 90 17.724 2.400 5.414 1.00 2.90 H new ATOM 1513 N GLY A 91 11.560 -1.480 7.971 1.00 0.87 N ATOM 1514 CA GLY A 91 10.100 -1.312 8.012 1.00 0.86 C ATOM 1515 C GLY A 91 9.507 -0.694 6.740 1.00 0.79 C ATOM 1516 O GLY A 91 8.354 -0.274 6.754 1.00 0.83 O ATOM 0 H GLY A 91 11.851 -2.446 7.818 1.00 0.87 H new ATOM 0 HA2 GLY A 91 9.637 -2.284 8.181 1.00 0.86 H new ATOM 0 HA3 GLY A 91 9.841 -0.683 8.864 1.00 0.86 H new ATOM 1520 N HIS A 92 10.279 -0.621 5.653 1.00 0.72 N ATOM 1521 CA HIS A 92 9.927 0.071 4.409 1.00 0.68 C ATOM 1522 C HIS A 92 10.535 -0.634 3.177 1.00 0.66 C ATOM 1523 O HIS A 92 11.488 -1.409 3.312 1.00 0.70 O ATOM 1524 CB HIS A 92 10.404 1.529 4.519 1.00 0.70 C ATOM 1525 CG HIS A 92 10.074 2.360 3.305 1.00 0.65 C ATOM 1526 ND1 HIS A 92 8.815 2.595 2.812 1.00 0.71 N ATOM 1527 CD2 HIS A 92 10.960 2.907 2.417 1.00 0.66 C ATOM 1528 CE1 HIS A 92 8.932 3.272 1.661 1.00 0.72 C ATOM 1529 NE2 HIS A 92 10.226 3.503 1.385 1.00 0.69 N ATOM 0 H HIS A 92 11.200 -1.058 5.613 1.00 0.72 H new ATOM 0 HA HIS A 92 8.846 0.049 4.269 1.00 0.68 H new ATOM 0 HB2 HIS A 92 9.950 1.987 5.398 1.00 0.70 H new ATOM 0 HB3 HIS A 92 11.483 1.540 4.675 1.00 0.70 H new ATOM 0 HD1 HIS A 92 7.940 2.304 3.247 1.00 0.71 H new ATOM 0 HD2 HIS A 92 12.037 2.883 2.498 1.00 0.66 H new ATOM 0 HE1 HIS A 92 8.104 3.587 1.044 1.00 0.72 H new ATOM 1537 N LEU A 93 9.984 -0.369 1.981 1.00 0.64 N ATOM 1538 CA LEU A 93 10.406 -0.972 0.716 1.00 0.63 C ATOM 1539 C LEU A 93 10.226 0.005 -0.465 1.00 0.57 C ATOM 1540 O LEU A 93 9.242 0.745 -0.512 1.00 0.56 O ATOM 1541 CB LEU A 93 9.590 -2.265 0.526 1.00 0.70 C ATOM 1542 CG LEU A 93 10.199 -3.315 -0.414 1.00 0.68 C ATOM 1543 CD1 LEU A 93 11.458 -3.925 0.202 1.00 1.13 C ATOM 1544 CD2 LEU A 93 9.190 -4.448 -0.617 1.00 1.41 C ATOM 0 H LEU A 93 9.212 0.289 1.870 1.00 0.64 H new ATOM 0 HA LEU A 93 11.470 -1.206 0.744 1.00 0.63 H new ATOM 0 HB2 LEU A 93 9.442 -2.724 1.503 1.00 0.70 H new ATOM 0 HB3 LEU A 93 8.604 -1.996 0.147 1.00 0.70 H new ATOM 0 HG LEU A 93 10.447 -2.828 -1.357 1.00 0.68 H new ATOM 0 HD11 LEU A 93 11.874 -4.667 -0.480 1.00 1.13 H new ATOM 0 HD12 LEU A 93 12.194 -3.140 0.378 1.00 1.13 H new ATOM 0 HD13 LEU A 93 11.205 -4.404 1.148 1.00 1.13 H new ATOM 0 HD21 LEU A 93 9.615 -5.198 -1.284 1.00 1.41 H new ATOM 0 HD22 LEU A 93 8.959 -4.906 0.345 1.00 1.41 H new ATOM 0 HD23 LEU A 93 8.277 -4.047 -1.057 1.00 1.41 H new ATOM 1556 N MET A 94 11.155 -0.003 -1.428 1.00 0.54 N ATOM 1557 CA MET A 94 11.206 0.948 -2.557 1.00 0.54 C ATOM 1558 C MET A 94 11.399 0.238 -3.897 1.00 0.59 C ATOM 1559 O MET A 94 12.248 -0.646 -4.010 1.00 0.79 O ATOM 1560 CB MET A 94 12.388 1.906 -2.367 1.00 0.63 C ATOM 1561 CG MET A 94 12.201 2.817 -1.159 1.00 1.04 C ATOM 1562 SD MET A 94 13.620 3.896 -0.883 1.00 1.15 S ATOM 1563 CE MET A 94 12.717 5.341 -0.294 1.00 0.97 C ATOM 0 H MET A 94 11.913 -0.685 -1.449 1.00 0.54 H new ATOM 0 HA MET A 94 10.255 1.481 -2.570 1.00 0.54 H new ATOM 0 HB2 MET A 94 13.305 1.330 -2.247 1.00 0.63 H new ATOM 0 HB3 MET A 94 12.509 2.514 -3.264 1.00 0.63 H new ATOM 0 HG2 MET A 94 11.308 3.426 -1.301 1.00 1.04 H new ATOM 0 HG3 MET A 94 12.033 2.208 -0.271 1.00 1.04 H new ATOM 0 HE1 MET A 94 12.898 6.181 -0.964 1.00 0.97 H new ATOM 0 HE2 MET A 94 11.650 5.119 -0.271 1.00 0.97 H new ATOM 0 HE3 MET A 94 13.056 5.598 0.710 1.00 0.97 H new ATOM 1573 N TRP A 95 10.657 0.649 -4.928 1.00 0.55 N ATOM 1574 CA TRP A 95 10.722 0.024 -6.251 1.00 0.59 C ATOM 1575 C TRP A 95 11.909 0.582 -7.059 1.00 0.70 C ATOM 1576 O TRP A 95 11.907 1.748 -7.462 1.00 0.76 O ATOM 1577 CB TRP A 95 9.406 0.244 -7.024 1.00 0.58 C ATOM 1578 CG TRP A 95 8.096 -0.269 -6.482 1.00 0.52 C ATOM 1579 CD1 TRP A 95 7.730 -0.396 -5.184 1.00 0.58 C ATOM 1580 CD2 TRP A 95 6.905 -0.642 -7.252 1.00 0.48 C ATOM 1581 NE1 TRP A 95 6.410 -0.787 -5.099 1.00 0.56 N ATOM 1582 CE2 TRP A 95 5.844 -0.939 -6.344 1.00 0.52 C ATOM 1583 CE3 TRP A 95 6.603 -0.714 -8.631 1.00 0.48 C ATOM 1584 CZ2 TRP A 95 4.552 -1.274 -6.777 1.00 0.60 C ATOM 1585 CZ3 TRP A 95 5.309 -1.048 -9.077 1.00 0.58 C ATOM 1586 CH2 TRP A 95 4.283 -1.323 -8.156 1.00 0.66 C ATOM 0 H TRP A 95 9.995 1.423 -4.869 1.00 0.55 H new ATOM 0 HA TRP A 95 10.868 -1.047 -6.110 1.00 0.59 H new ATOM 0 HB2 TRP A 95 9.294 1.319 -7.166 1.00 0.58 H new ATOM 0 HB3 TRP A 95 9.538 -0.196 -8.012 1.00 0.58 H new ATOM 0 HD1 TRP A 95 8.378 -0.217 -4.338 1.00 0.58 H new ATOM 0 HE1 TRP A 95 5.914 -0.944 -4.221 1.00 0.56 H new ATOM 0 HE3 TRP A 95 7.378 -0.509 -9.355 1.00 0.48 H new ATOM 0 HZ2 TRP A 95 3.774 -1.491 -6.060 1.00 0.60 H new ATOM 0 HZ3 TRP A 95 5.103 -1.093 -10.136 1.00 0.58 H new ATOM 0 HH2 TRP A 95 3.292 -1.571 -8.507 1.00 0.66 H new ATOM 1597 N ASN A 96 12.895 -0.271 -7.341 1.00 0.78 N ATOM 1598 CA ASN A 96 13.998 -0.024 -8.276 1.00 0.87 C ATOM 1599 C ASN A 96 14.344 -1.305 -9.052 1.00 0.82 C ATOM 1600 O ASN A 96 13.988 -2.406 -8.635 1.00 0.82 O ATOM 1601 CB ASN A 96 15.224 0.549 -7.534 1.00 1.22 C ATOM 1602 CG ASN A 96 15.089 2.042 -7.231 1.00 1.71 C ATOM 1603 OD1 ASN A 96 14.834 2.855 -8.114 1.00 2.37 O ATOM 1604 ND2 ASN A 96 15.278 2.451 -5.989 1.00 2.44 N ATOM 0 H ASN A 96 12.951 -1.192 -6.907 1.00 0.78 H new ATOM 0 HA ASN A 96 13.681 0.723 -9.003 1.00 0.87 H new ATOM 0 HB2 ASN A 96 15.365 0.005 -6.600 1.00 1.22 H new ATOM 0 HB3 ASN A 96 16.117 0.385 -8.137 1.00 1.22 H new ATOM 0 HD21 ASN A 96 15.212 3.444 -5.763 1.00 2.44 H new ATOM 0 HD22 ASN A 96 15.490 1.774 -5.256 1.00 2.44 H new ATOM 1611 N ASP A 97 15.064 -1.172 -10.171 1.00 0.82 N ATOM 1612 CA ASP A 97 15.497 -2.290 -11.027 1.00 0.80 C ATOM 1613 C ASP A 97 16.306 -3.343 -10.248 1.00 0.84 C ATOM 1614 O ASP A 97 16.245 -4.529 -10.555 1.00 0.85 O ATOM 1615 CB ASP A 97 16.346 -1.745 -12.186 1.00 0.80 C ATOM 1616 CG ASP A 97 15.621 -0.659 -12.989 1.00 1.33 C ATOM 1617 OD1 ASP A 97 15.583 0.501 -12.512 1.00 2.38 O ATOM 1618 OD2 ASP A 97 15.070 -0.968 -14.070 1.00 1.96 O ATOM 0 H ASP A 97 15.371 -0.263 -10.518 1.00 0.82 H new ATOM 0 HA ASP A 97 14.601 -2.781 -11.407 1.00 0.80 H new ATOM 0 HB2 ASP A 97 17.276 -1.338 -11.790 1.00 0.80 H new ATOM 0 HB3 ASP A 97 16.615 -2.565 -12.852 1.00 0.80 H new ATOM 1623 N ASP A 98 17.035 -2.897 -9.221 1.00 0.89 N ATOM 1624 CA ASP A 98 17.777 -3.711 -8.255 1.00 0.98 C ATOM 1625 C ASP A 98 16.860 -4.587 -7.380 1.00 0.88 C ATOM 1626 O ASP A 98 17.116 -5.779 -7.206 1.00 0.93 O ATOM 1627 CB ASP A 98 18.554 -2.752 -7.345 1.00 1.12 C ATOM 1628 CG ASP A 98 19.594 -1.916 -8.106 1.00 1.96 C ATOM 1629 OD1 ASP A 98 20.739 -2.396 -8.286 1.00 2.52 O ATOM 1630 OD2 ASP A 98 19.262 -0.775 -8.507 1.00 3.33 O ATOM 0 H ASP A 98 17.128 -1.899 -9.031 1.00 0.89 H new ATOM 0 HA ASP A 98 18.432 -4.385 -8.807 1.00 0.98 H new ATOM 0 HB2 ASP A 98 17.852 -2.083 -6.847 1.00 1.12 H new ATOM 0 HB3 ASP A 98 19.056 -3.325 -6.566 1.00 1.12 H new ATOM 1635 N LEU A 99 15.774 -4.003 -6.855 1.00 0.78 N ATOM 1636 CA LEU A 99 14.758 -4.682 -6.040 1.00 0.73 C ATOM 1637 C LEU A 99 14.069 -5.775 -6.873 1.00 0.69 C ATOM 1638 O LEU A 99 13.899 -6.910 -6.424 1.00 0.78 O ATOM 1639 CB LEU A 99 13.779 -3.602 -5.515 1.00 0.76 C ATOM 1640 CG LEU A 99 12.943 -3.924 -4.260 1.00 0.82 C ATOM 1641 CD1 LEU A 99 12.104 -5.200 -4.350 1.00 1.76 C ATOM 1642 CD2 LEU A 99 13.824 -3.951 -3.007 1.00 1.48 C ATOM 0 H LEU A 99 15.572 -3.012 -6.991 1.00 0.78 H new ATOM 0 HA LEU A 99 15.198 -5.190 -5.182 1.00 0.73 H new ATOM 0 HB2 LEU A 99 14.357 -2.701 -5.308 1.00 0.76 H new ATOM 0 HB3 LEU A 99 13.088 -3.359 -6.322 1.00 0.76 H new ATOM 0 HG LEU A 99 12.222 -3.109 -4.191 1.00 0.82 H new ATOM 0 HD11 LEU A 99 11.553 -5.340 -3.420 1.00 1.76 H new ATOM 0 HD12 LEU A 99 11.401 -5.116 -5.179 1.00 1.76 H new ATOM 0 HD13 LEU A 99 12.759 -6.055 -4.515 1.00 1.76 H new ATOM 0 HD21 LEU A 99 13.210 -4.180 -2.136 1.00 1.48 H new ATOM 0 HD22 LEU A 99 14.594 -4.714 -3.120 1.00 1.48 H new ATOM 0 HD23 LEU A 99 14.296 -2.977 -2.873 1.00 1.48 H new ATOM 1654 N PHE A 100 13.760 -5.446 -8.126 1.00 0.69 N ATOM 1655 CA PHE A 100 13.128 -6.330 -9.099 1.00 0.72 C ATOM 1656 C PHE A 100 14.141 -7.134 -9.945 1.00 0.80 C ATOM 1657 O PHE A 100 13.773 -7.717 -10.964 1.00 0.82 O ATOM 1658 CB PHE A 100 12.170 -5.496 -9.954 1.00 0.70 C ATOM 1659 CG PHE A 100 10.894 -5.076 -9.238 1.00 0.61 C ATOM 1660 CD1 PHE A 100 10.920 -4.049 -8.276 1.00 1.57 C ATOM 1661 CD2 PHE A 100 9.675 -5.719 -9.523 1.00 1.32 C ATOM 1662 CE1 PHE A 100 9.741 -3.660 -7.616 1.00 1.47 C ATOM 1663 CE2 PHE A 100 8.492 -5.311 -8.885 1.00 1.43 C ATOM 1664 CZ PHE A 100 8.521 -4.282 -7.928 1.00 0.62 C ATOM 0 H PHE A 100 13.952 -4.518 -8.505 1.00 0.69 H new ATOM 0 HA PHE A 100 12.565 -7.096 -8.566 1.00 0.72 H new ATOM 0 HB2 PHE A 100 12.692 -4.602 -10.296 1.00 0.70 H new ATOM 0 HB3 PHE A 100 11.903 -6.068 -10.842 1.00 0.70 H new ATOM 0 HD1 PHE A 100 11.852 -3.556 -8.043 1.00 1.57 H new ATOM 0 HD2 PHE A 100 9.649 -6.530 -10.236 1.00 1.32 H new ATOM 0 HE1 PHE A 100 9.774 -2.882 -6.868 1.00 1.47 H new ATOM 0 HE2 PHE A 100 7.556 -5.790 -9.131 1.00 1.43 H new ATOM 0 HZ PHE A 100 7.611 -3.972 -7.436 1.00 0.62 H new ATOM 1674 N SER A 101 15.417 -7.202 -9.548 1.00 0.89 N ATOM 1675 CA SER A 101 16.463 -7.879 -10.337 1.00 1.04 C ATOM 1676 C SER A 101 16.289 -9.413 -10.374 1.00 1.11 C ATOM 1677 O SER A 101 16.770 -10.064 -11.305 1.00 1.27 O ATOM 1678 CB SER A 101 17.854 -7.468 -9.824 1.00 1.15 C ATOM 1679 OG SER A 101 18.903 -7.919 -10.674 1.00 1.38 O ATOM 0 H SER A 101 15.756 -6.793 -8.677 1.00 0.89 H new ATOM 0 HA SER A 101 16.362 -7.552 -11.372 1.00 1.04 H new ATOM 0 HB2 SER A 101 17.900 -6.382 -9.739 1.00 1.15 H new ATOM 0 HB3 SER A 101 18.003 -7.872 -8.823 1.00 1.15 H new ATOM 0 HG SER A 101 19.766 -7.633 -10.308 1.00 1.38 H new ATOM 1685 N GLU A 102 15.553 -9.992 -9.417 1.00 1.03 N ATOM 1686 CA GLU A 102 15.006 -11.355 -9.511 1.00 1.08 C ATOM 1687 C GLU A 102 13.572 -11.337 -10.080 1.00 0.99 C ATOM 1688 O GLU A 102 13.249 -12.115 -10.978 1.00 1.09 O ATOM 1689 CB GLU A 102 15.059 -12.024 -8.127 1.00 1.15 C ATOM 1690 CG GLU A 102 14.795 -13.534 -8.211 1.00 1.64 C ATOM 1691 CD GLU A 102 14.922 -14.222 -6.841 1.00 1.82 C ATOM 1692 OE1 GLU A 102 15.995 -14.123 -6.198 1.00 2.45 O ATOM 1693 OE2 GLU A 102 13.956 -14.893 -6.405 1.00 2.49 O ATOM 0 H GLU A 102 15.316 -9.522 -8.543 1.00 1.03 H new ATOM 0 HA GLU A 102 15.614 -11.939 -10.202 1.00 1.08 H new ATOM 0 HB2 GLU A 102 16.037 -11.851 -7.677 1.00 1.15 H new ATOM 0 HB3 GLU A 102 14.320 -11.562 -7.472 1.00 1.15 H new ATOM 0 HG2 GLU A 102 13.795 -13.705 -8.610 1.00 1.64 H new ATOM 0 HG3 GLU A 102 15.499 -13.986 -8.910 1.00 1.64 H new ATOM 1700 N ALA A 103 12.722 -10.409 -9.618 1.00 0.83 N ATOM 1701 CA ALA A 103 11.333 -10.222 -10.059 1.00 0.76 C ATOM 1702 C ALA A 103 11.203 -9.536 -11.441 1.00 0.73 C ATOM 1703 O ALA A 103 10.330 -8.698 -11.657 1.00 0.70 O ATOM 1704 CB ALA A 103 10.571 -9.504 -8.934 1.00 0.68 C ATOM 0 H ALA A 103 12.995 -9.741 -8.897 1.00 0.83 H new ATOM 0 HA ALA A 103 10.878 -11.197 -10.233 1.00 0.76 H new ATOM 0 HB1 ALA A 103 9.535 -9.352 -9.236 1.00 0.68 H new ATOM 0 HB2 ALA A 103 10.600 -10.111 -8.029 1.00 0.68 H new ATOM 0 HB3 ALA A 103 11.037 -8.538 -8.738 1.00 0.68 H new ATOM 1710 N GLN A 104 12.059 -9.894 -12.400 1.00 0.79 N ATOM 1711 CA GLN A 104 12.065 -9.329 -13.754 1.00 0.83 C ATOM 1712 C GLN A 104 10.753 -9.552 -14.544 1.00 0.83 C ATOM 1713 O GLN A 104 10.305 -8.591 -15.177 1.00 0.82 O ATOM 1714 CB GLN A 104 13.274 -9.852 -14.546 1.00 0.96 C ATOM 1715 CG GLN A 104 14.612 -9.371 -13.961 1.00 0.94 C ATOM 1716 CD GLN A 104 15.817 -9.835 -14.785 1.00 1.11 C ATOM 1717 OE1 GLN A 104 15.832 -9.802 -16.010 1.00 1.30 O ATOM 1718 NE2 GLN A 104 16.881 -10.291 -14.154 1.00 1.34 N ATOM 0 H GLN A 104 12.782 -10.599 -12.256 1.00 0.79 H new ATOM 0 HA GLN A 104 12.146 -8.250 -13.626 1.00 0.83 H new ATOM 0 HB2 GLN A 104 13.255 -10.942 -14.554 1.00 0.96 H new ATOM 0 HB3 GLN A 104 13.195 -9.524 -15.582 1.00 0.96 H new ATOM 0 HG2 GLN A 104 14.611 -8.282 -13.908 1.00 0.94 H new ATOM 0 HG3 GLN A 104 14.711 -9.740 -12.940 1.00 0.94 H new ATOM 0 HE21 GLN A 104 16.893 -10.328 -13.135 1.00 1.34 H new ATOM 0 HE22 GLN A 104 17.693 -10.606 -14.685 1.00 1.34 H new ATOM 1727 N PRO A 105 10.095 -10.736 -14.516 1.00 0.87 N ATOM 1728 CA PRO A 105 8.831 -10.929 -15.229 1.00 0.87 C ATOM 1729 C PRO A 105 7.635 -10.274 -14.522 1.00 0.72 C ATOM 1730 O PRO A 105 6.585 -10.121 -15.144 1.00 0.64 O ATOM 1731 CB PRO A 105 8.681 -12.443 -15.396 1.00 1.00 C ATOM 1732 CG PRO A 105 9.414 -13.016 -14.186 1.00 1.02 C ATOM 1733 CD PRO A 105 10.518 -11.997 -13.909 1.00 0.96 C ATOM 0 HA PRO A 105 8.846 -10.431 -16.198 1.00 0.87 H new ATOM 0 HB2 PRO A 105 7.633 -12.742 -15.408 1.00 1.00 H new ATOM 0 HB3 PRO A 105 9.122 -12.788 -16.331 1.00 1.00 H new ATOM 0 HG2 PRO A 105 8.748 -13.126 -13.330 1.00 1.02 H new ATOM 0 HG3 PRO A 105 9.825 -14.003 -14.398 1.00 1.02 H new ATOM 0 HD2 PRO A 105 10.672 -11.877 -12.837 1.00 0.96 H new ATOM 0 HD3 PRO A 105 11.466 -12.330 -14.332 1.00 0.96 H new ATOM 1741 N LEU A 106 7.794 -9.835 -13.264 1.00 0.70 N ATOM 1742 CA LEU A 106 6.847 -8.948 -12.589 1.00 0.60 C ATOM 1743 C LEU A 106 7.068 -7.505 -13.039 1.00 0.53 C ATOM 1744 O LEU A 106 6.119 -6.834 -13.430 1.00 0.49 O ATOM 1745 CB LEU A 106 7.004 -9.126 -11.067 1.00 0.60 C ATOM 1746 CG LEU A 106 6.008 -8.352 -10.189 1.00 0.49 C ATOM 1747 CD1 LEU A 106 4.583 -8.892 -10.335 1.00 1.52 C ATOM 1748 CD2 LEU A 106 6.420 -8.474 -8.713 1.00 1.19 C ATOM 0 H LEU A 106 8.594 -10.091 -12.685 1.00 0.70 H new ATOM 0 HA LEU A 106 5.821 -9.203 -12.855 1.00 0.60 H new ATOM 0 HB2 LEU A 106 6.913 -10.187 -10.835 1.00 0.60 H new ATOM 0 HB3 LEU A 106 8.014 -8.824 -10.789 1.00 0.60 H new ATOM 0 HG LEU A 106 6.024 -7.312 -10.515 1.00 0.49 H new ATOM 0 HD11 LEU A 106 3.909 -8.318 -9.698 1.00 1.52 H new ATOM 0 HD12 LEU A 106 4.265 -8.803 -11.374 1.00 1.52 H new ATOM 0 HD13 LEU A 106 4.559 -9.940 -10.037 1.00 1.52 H new ATOM 0 HD21 LEU A 106 5.713 -7.925 -8.091 1.00 1.19 H new ATOM 0 HD22 LEU A 106 6.420 -9.524 -8.421 1.00 1.19 H new ATOM 0 HD23 LEU A 106 7.419 -8.060 -8.579 1.00 1.19 H new ATOM 1760 N TRP A 107 8.321 -7.050 -13.049 1.00 0.58 N ATOM 1761 CA TRP A 107 8.731 -5.707 -13.456 1.00 0.60 C ATOM 1762 C TRP A 107 8.344 -5.398 -14.902 1.00 0.65 C ATOM 1763 O TRP A 107 7.755 -4.350 -15.154 1.00 0.65 O ATOM 1764 CB TRP A 107 10.243 -5.595 -13.229 1.00 0.67 C ATOM 1765 CG TRP A 107 10.983 -4.388 -13.728 1.00 0.75 C ATOM 1766 CD1 TRP A 107 12.267 -4.410 -14.155 1.00 0.90 C ATOM 1767 CD2 TRP A 107 10.558 -2.990 -13.837 1.00 1.08 C ATOM 1768 NE1 TRP A 107 12.658 -3.145 -14.540 1.00 1.21 N ATOM 1769 CE2 TRP A 107 11.633 -2.238 -14.403 1.00 1.29 C ATOM 1770 CE3 TRP A 107 9.380 -2.273 -13.531 1.00 1.45 C ATOM 1771 CZ2 TRP A 107 11.529 -0.872 -14.703 1.00 1.69 C ATOM 1772 CZ3 TRP A 107 9.261 -0.905 -13.830 1.00 1.84 C ATOM 1773 CH2 TRP A 107 10.325 -0.206 -14.429 1.00 1.92 C ATOM 0 H TRP A 107 9.109 -7.631 -12.762 1.00 0.58 H new ATOM 0 HA TRP A 107 8.208 -4.963 -12.855 1.00 0.60 H new ATOM 0 HB2 TRP A 107 10.417 -5.662 -12.155 1.00 0.67 H new ATOM 0 HB3 TRP A 107 10.706 -6.471 -13.683 1.00 0.67 H new ATOM 0 HD1 TRP A 107 12.893 -5.289 -14.189 1.00 0.90 H new ATOM 0 HE1 TRP A 107 13.590 -2.911 -14.883 1.00 1.21 H new ATOM 0 HE3 TRP A 107 8.555 -2.786 -13.058 1.00 1.45 H new ATOM 0 HZ2 TRP A 107 12.363 -0.341 -15.138 1.00 1.69 H new ATOM 0 HZ3 TRP A 107 8.343 -0.385 -13.598 1.00 1.84 H new ATOM 0 HH2 TRP A 107 10.215 0.839 -14.677 1.00 1.92 H new ATOM 1784 N GLU A 108 8.609 -6.309 -15.843 1.00 0.74 N ATOM 1785 CA GLU A 108 8.296 -6.067 -17.255 1.00 0.84 C ATOM 1786 C GLU A 108 6.781 -6.007 -17.486 1.00 0.76 C ATOM 1787 O GLU A 108 6.289 -5.100 -18.158 1.00 0.78 O ATOM 1788 CB GLU A 108 8.959 -7.131 -18.147 1.00 1.01 C ATOM 1789 CG GLU A 108 8.834 -6.739 -19.628 1.00 1.29 C ATOM 1790 CD GLU A 108 9.799 -7.534 -20.520 1.00 1.63 C ATOM 1791 OE1 GLU A 108 9.601 -8.760 -20.696 1.00 2.53 O ATOM 1792 OE2 GLU A 108 10.752 -6.933 -21.069 1.00 2.35 O ATOM 0 H GLU A 108 9.037 -7.216 -15.655 1.00 0.74 H new ATOM 0 HA GLU A 108 8.704 -5.095 -17.532 1.00 0.84 H new ATOM 0 HB2 GLU A 108 10.010 -7.236 -17.879 1.00 1.01 H new ATOM 0 HB3 GLU A 108 8.489 -8.100 -17.979 1.00 1.01 H new ATOM 0 HG2 GLU A 108 7.810 -6.908 -19.962 1.00 1.29 H new ATOM 0 HG3 GLU A 108 9.034 -5.673 -19.738 1.00 1.29 H new ATOM 1799 N ALA A 109 6.031 -6.937 -16.890 1.00 0.70 N ATOM 1800 CA ALA A 109 4.571 -6.969 -16.950 1.00 0.62 C ATOM 1801 C ALA A 109 3.922 -5.742 -16.299 1.00 0.51 C ATOM 1802 O ALA A 109 3.005 -5.151 -16.869 1.00 0.49 O ATOM 1803 CB ALA A 109 4.123 -8.280 -16.330 1.00 0.65 C ATOM 0 H ALA A 109 6.429 -7.701 -16.344 1.00 0.70 H new ATOM 0 HA ALA A 109 4.238 -6.920 -17.987 1.00 0.62 H new ATOM 0 HB1 ALA A 109 3.035 -8.342 -16.356 1.00 0.65 H new ATOM 0 HB2 ALA A 109 4.547 -9.112 -16.892 1.00 0.65 H new ATOM 0 HB3 ALA A 109 4.464 -8.329 -15.296 1.00 0.65 H new ATOM 1809 N ALA A 110 4.417 -5.313 -15.140 1.00 0.48 N ATOM 1810 CA ALA A 110 3.963 -4.106 -14.460 1.00 0.44 C ATOM 1811 C ALA A 110 4.230 -2.859 -15.319 1.00 0.49 C ATOM 1812 O ALA A 110 3.314 -2.080 -15.587 1.00 0.48 O ATOM 1813 CB ALA A 110 4.683 -4.063 -13.101 1.00 0.45 C ATOM 0 H ALA A 110 5.158 -5.804 -14.640 1.00 0.48 H new ATOM 0 HA ALA A 110 2.885 -4.118 -14.300 1.00 0.44 H new ATOM 0 HB1 ALA A 110 4.374 -3.173 -12.553 1.00 0.45 H new ATOM 0 HB2 ALA A 110 4.425 -4.951 -12.525 1.00 0.45 H new ATOM 0 HB3 ALA A 110 5.761 -4.034 -13.261 1.00 0.45 H new ATOM 1819 N ARG A 111 5.454 -2.732 -15.845 1.00 0.58 N ATOM 1820 CA ARG A 111 5.865 -1.668 -16.768 1.00 0.66 C ATOM 1821 C ARG A 111 4.969 -1.634 -18.010 1.00 0.66 C ATOM 1822 O ARG A 111 4.542 -0.554 -18.412 1.00 0.73 O ATOM 1823 CB ARG A 111 7.363 -1.850 -17.095 1.00 0.82 C ATOM 1824 CG ARG A 111 7.906 -1.020 -18.273 1.00 1.11 C ATOM 1825 CD ARG A 111 8.034 -1.878 -19.544 1.00 1.81 C ATOM 1826 NE ARG A 111 8.282 -1.069 -20.751 1.00 2.93 N ATOM 1827 CZ ARG A 111 9.428 -0.513 -21.131 1.00 3.45 C ATOM 1828 NH1 ARG A 111 10.520 -0.571 -20.396 1.00 3.50 N ATOM 1829 NH2 ARG A 111 9.491 0.117 -22.284 1.00 4.70 N ATOM 0 H ARG A 111 6.208 -3.386 -15.634 1.00 0.58 H new ATOM 0 HA ARG A 111 5.740 -0.692 -16.300 1.00 0.66 H new ATOM 0 HB2 ARG A 111 7.941 -1.601 -16.205 1.00 0.82 H new ATOM 0 HB3 ARG A 111 7.542 -2.904 -17.307 1.00 0.82 H new ATOM 0 HG2 ARG A 111 7.242 -0.178 -18.465 1.00 1.11 H new ATOM 0 HG3 ARG A 111 8.879 -0.605 -18.011 1.00 1.11 H new ATOM 0 HD2 ARG A 111 8.848 -2.592 -19.416 1.00 1.81 H new ATOM 0 HD3 ARG A 111 7.121 -2.457 -19.681 1.00 1.81 H new ATOM 0 HE ARG A 111 7.482 -0.918 -21.365 1.00 2.93 H new ATOM 0 HH11 ARG A 111 10.506 -1.056 -19.499 1.00 3.50 H new ATOM 0 HH12 ARG A 111 11.380 -0.131 -20.724 1.00 3.50 H new ATOM 0 HH21 ARG A 111 8.664 0.176 -22.879 1.00 4.70 H new ATOM 0 HH22 ARG A 111 10.366 0.547 -22.583 1.00 4.70 H new ATOM 1843 N ALA A 112 4.627 -2.788 -18.580 1.00 0.63 N ATOM 1844 CA ALA A 112 3.749 -2.913 -19.748 1.00 0.64 C ATOM 1845 C ALA A 112 2.309 -2.464 -19.445 1.00 0.56 C ATOM 1846 O ALA A 112 1.703 -1.736 -20.230 1.00 0.60 O ATOM 1847 CB ALA A 112 3.786 -4.378 -20.199 1.00 0.67 C ATOM 0 H ALA A 112 4.961 -3.688 -18.235 1.00 0.63 H new ATOM 0 HA ALA A 112 4.105 -2.256 -20.542 1.00 0.64 H new ATOM 0 HB1 ALA A 112 3.142 -4.507 -21.069 1.00 0.67 H new ATOM 0 HB2 ALA A 112 4.808 -4.653 -20.460 1.00 0.67 H new ATOM 0 HB3 ALA A 112 3.435 -5.017 -19.389 1.00 0.67 H new ATOM 1853 N HIS A 113 1.777 -2.865 -18.290 1.00 0.48 N ATOM 1854 CA HIS A 113 0.427 -2.515 -17.834 1.00 0.44 C ATOM 1855 C HIS A 113 0.261 -1.049 -17.369 1.00 0.48 C ATOM 1856 O HIS A 113 -0.873 -0.597 -17.193 1.00 0.51 O ATOM 1857 CB HIS A 113 -0.009 -3.538 -16.777 1.00 0.40 C ATOM 1858 CG HIS A 113 -0.375 -4.865 -17.401 1.00 0.42 C ATOM 1859 ND1 HIS A 113 0.372 -6.018 -17.358 1.00 0.45 N ATOM 1860 CD2 HIS A 113 -1.495 -5.147 -18.139 1.00 0.49 C ATOM 1861 CE1 HIS A 113 -0.280 -6.972 -18.042 1.00 0.49 C ATOM 1862 NE2 HIS A 113 -1.432 -6.488 -18.542 1.00 0.53 N ATOM 0 H HIS A 113 2.282 -3.455 -17.629 1.00 0.48 H new ATOM 0 HA HIS A 113 -0.242 -2.569 -18.693 1.00 0.44 H new ATOM 0 HB2 HIS A 113 0.797 -3.684 -16.058 1.00 0.40 H new ATOM 0 HB3 HIS A 113 -0.863 -3.148 -16.224 1.00 0.40 H new ATOM 0 HD1 HIS A 113 1.269 -6.130 -16.886 1.00 0.45 H new ATOM 0 HD2 HIS A 113 -2.290 -4.454 -18.371 1.00 0.49 H new ATOM 0 HE1 HIS A 113 0.071 -7.985 -18.173 1.00 0.49 H new ATOM 1870 N GLY A 114 1.361 -0.297 -17.199 1.00 0.54 N ATOM 1871 CA GLY A 114 1.351 1.143 -16.868 1.00 0.64 C ATOM 1872 C GLY A 114 1.957 1.506 -15.510 1.00 0.62 C ATOM 1873 O GLY A 114 2.075 2.688 -15.187 1.00 0.72 O ATOM 0 H GLY A 114 2.303 -0.678 -17.289 1.00 0.54 H new ATOM 0 HA2 GLY A 114 1.894 1.681 -17.645 1.00 0.64 H new ATOM 0 HA3 GLY A 114 0.321 1.498 -16.894 1.00 0.64 H new ATOM 1877 N LEU A 115 2.391 0.506 -14.739 1.00 0.53 N ATOM 1878 CA LEU A 115 2.975 0.639 -13.407 1.00 0.51 C ATOM 1879 C LEU A 115 4.488 0.924 -13.536 1.00 0.58 C ATOM 1880 O LEU A 115 5.326 0.108 -13.146 1.00 0.95 O ATOM 1881 CB LEU A 115 2.687 -0.643 -12.591 1.00 0.49 C ATOM 1882 CG LEU A 115 1.215 -1.040 -12.330 1.00 0.48 C ATOM 1883 CD1 LEU A 115 0.467 -1.625 -13.541 1.00 0.85 C ATOM 1884 CD2 LEU A 115 1.204 -2.097 -11.217 1.00 1.04 C ATOM 0 H LEU A 115 2.341 -0.466 -15.044 1.00 0.53 H new ATOM 0 HA LEU A 115 2.527 1.477 -12.874 1.00 0.51 H new ATOM 0 HB2 LEU A 115 3.169 -1.476 -13.103 1.00 0.49 H new ATOM 0 HB3 LEU A 115 3.178 -0.537 -11.623 1.00 0.49 H new ATOM 0 HG LEU A 115 0.695 -0.119 -12.068 1.00 0.48 H new ATOM 0 HD11 LEU A 115 -0.555 -1.870 -13.253 1.00 0.85 H new ATOM 0 HD12 LEU A 115 0.451 -0.892 -14.348 1.00 0.85 H new ATOM 0 HD13 LEU A 115 0.975 -2.528 -13.881 1.00 0.85 H new ATOM 0 HD21 LEU A 115 0.177 -2.397 -11.010 1.00 1.04 H new ATOM 0 HD22 LEU A 115 1.779 -2.967 -11.535 1.00 1.04 H new ATOM 0 HD23 LEU A 115 1.648 -1.679 -10.314 1.00 1.04 H new ATOM 1896 N ARG A 116 4.848 2.059 -14.149 1.00 0.62 N ATOM 1897 CA ARG A 116 6.226 2.362 -14.568 1.00 0.63 C ATOM 1898 C ARG A 116 7.221 2.472 -13.400 1.00 0.59 C ATOM 1899 O ARG A 116 8.374 2.116 -13.600 1.00 0.67 O ATOM 1900 CB ARG A 116 6.293 3.653 -15.396 1.00 0.73 C ATOM 1901 CG ARG A 116 5.387 3.745 -16.630 1.00 1.10 C ATOM 1902 CD ARG A 116 5.518 2.656 -17.701 1.00 1.06 C ATOM 1903 NE ARG A 116 5.102 3.220 -19.004 1.00 1.56 N ATOM 1904 CZ ARG A 116 4.131 2.828 -19.821 1.00 2.34 C ATOM 1905 NH1 ARG A 116 3.515 1.675 -19.703 1.00 3.40 N ATOM 1906 NH2 ARG A 116 3.758 3.621 -20.801 1.00 2.78 N ATOM 0 H ARG A 116 4.185 2.802 -14.371 1.00 0.62 H new ATOM 0 HA ARG A 116 6.523 1.509 -15.178 1.00 0.63 H new ATOM 0 HB2 ARG A 116 6.053 4.488 -14.738 1.00 0.73 H new ATOM 0 HB3 ARG A 116 7.324 3.791 -15.723 1.00 0.73 H new ATOM 0 HG2 ARG A 116 4.353 3.752 -16.285 1.00 1.10 H new ATOM 0 HG3 ARG A 116 5.570 4.707 -17.108 1.00 1.10 H new ATOM 0 HD2 ARG A 116 6.547 2.300 -17.754 1.00 1.06 H new ATOM 0 HD3 ARG A 116 4.897 1.798 -17.445 1.00 1.06 H new ATOM 0 HE ARG A 116 5.639 4.027 -19.321 1.00 1.56 H new ATOM 0 HH11 ARG A 116 3.776 1.031 -18.956 1.00 3.40 H new ATOM 0 HH12 ARG A 116 2.775 1.423 -20.358 1.00 3.40 H new ATOM 0 HH21 ARG A 116 4.213 4.525 -20.927 1.00 2.78 H new ATOM 0 HH22 ARG A 116 3.014 3.332 -21.436 1.00 2.78 H new ATOM 1920 N ARG A 117 6.803 2.931 -12.211 1.00 0.56 N ATOM 1921 CA ARG A 117 7.499 2.828 -10.902 1.00 0.45 C ATOM 1922 C ARG A 117 6.451 2.842 -9.777 1.00 0.48 C ATOM 1923 O ARG A 117 5.263 3.049 -10.039 1.00 0.64 O ATOM 1924 CB ARG A 117 8.538 3.957 -10.655 1.00 0.50 C ATOM 1925 CG ARG A 117 9.684 4.112 -11.667 1.00 0.68 C ATOM 1926 CD ARG A 117 10.566 2.882 -11.918 1.00 0.58 C ATOM 1927 NE ARG A 117 11.830 2.878 -11.158 1.00 0.91 N ATOM 1928 CZ ARG A 117 12.928 2.242 -11.556 1.00 1.29 C ATOM 1929 NH1 ARG A 117 12.926 1.406 -12.570 1.00 2.00 N ATOM 1930 NH2 ARG A 117 14.085 2.417 -10.958 1.00 1.70 N ATOM 0 H ARG A 117 5.911 3.418 -12.123 1.00 0.56 H new ATOM 0 HA ARG A 117 8.058 1.893 -10.913 1.00 0.45 H new ATOM 0 HB2 ARG A 117 8.000 4.904 -10.612 1.00 0.50 H new ATOM 0 HB3 ARG A 117 8.980 3.796 -9.671 1.00 0.50 H new ATOM 0 HG2 ARG A 117 9.254 4.420 -12.620 1.00 0.68 H new ATOM 0 HG3 ARG A 117 10.326 4.925 -11.329 1.00 0.68 H new ATOM 0 HD2 ARG A 117 10.000 1.986 -11.665 1.00 0.58 H new ATOM 0 HD3 ARG A 117 10.795 2.824 -12.982 1.00 0.58 H new ATOM 0 HE ARG A 117 11.864 3.392 -10.278 1.00 0.91 H new ATOM 0 HH11 ARG A 117 12.062 1.226 -13.081 1.00 2.00 H new ATOM 0 HH12 ARG A 117 13.789 0.937 -12.846 1.00 2.00 H new ATOM 0 HH21 ARG A 117 14.158 3.055 -10.166 1.00 1.70 H new ATOM 0 HH22 ARG A 117 14.910 1.915 -11.286 1.00 1.70 H new ATOM 1944 N GLY A 118 6.870 2.654 -8.522 1.00 0.42 N ATOM 1945 CA GLY A 118 5.969 2.690 -7.363 1.00 0.42 C ATOM 1946 C GLY A 118 6.618 2.933 -6.000 1.00 0.41 C ATOM 1947 O GLY A 118 7.826 3.133 -5.885 1.00 0.49 O ATOM 0 H GLY A 118 7.844 2.472 -8.279 1.00 0.42 H new ATOM 0 HA2 GLY A 118 5.228 3.471 -7.532 1.00 0.42 H new ATOM 0 HA3 GLY A 118 5.431 1.743 -7.320 1.00 0.42 H new ATOM 1951 N VAL A 119 5.764 2.934 -4.978 1.00 0.36 N ATOM 1952 CA VAL A 119 6.079 3.117 -3.546 1.00 0.37 C ATOM 1953 C VAL A 119 5.326 2.052 -2.743 1.00 0.43 C ATOM 1954 O VAL A 119 4.247 1.637 -3.164 1.00 0.66 O ATOM 1955 CB VAL A 119 5.691 4.531 -3.030 1.00 0.57 C ATOM 1956 CG1 VAL A 119 6.382 5.619 -3.862 1.00 0.82 C ATOM 1957 CG2 VAL A 119 4.178 4.800 -3.047 1.00 0.83 C ATOM 0 H VAL A 119 4.764 2.799 -5.129 1.00 0.36 H new ATOM 0 HA VAL A 119 7.157 3.015 -3.419 1.00 0.37 H new ATOM 0 HB VAL A 119 6.024 4.561 -1.993 1.00 0.57 H new ATOM 0 HG11 VAL A 119 6.097 6.601 -3.485 1.00 0.82 H new ATOM 0 HG12 VAL A 119 7.463 5.501 -3.789 1.00 0.82 H new ATOM 0 HG13 VAL A 119 6.077 5.528 -4.905 1.00 0.82 H new ATOM 0 HG21 VAL A 119 3.983 5.805 -2.674 1.00 0.83 H new ATOM 0 HG22 VAL A 119 3.804 4.713 -4.067 1.00 0.83 H new ATOM 0 HG23 VAL A 119 3.672 4.073 -2.412 1.00 0.83 H new ATOM 1967 N THR A 120 5.865 1.638 -1.592 1.00 0.35 N ATOM 1968 CA THR A 120 5.310 0.576 -0.737 1.00 0.32 C ATOM 1969 C THR A 120 5.443 0.970 0.728 1.00 0.38 C ATOM 1970 O THR A 120 6.437 1.581 1.113 1.00 0.51 O ATOM 1971 CB THR A 120 6.054 -0.734 -1.031 1.00 0.39 C ATOM 1972 OG1 THR A 120 5.616 -1.214 -2.282 1.00 0.52 O ATOM 1973 CG2 THR A 120 5.828 -1.854 -0.018 1.00 0.64 C ATOM 0 H THR A 120 6.723 2.041 -1.216 1.00 0.35 H new ATOM 0 HA THR A 120 4.250 0.434 -0.949 1.00 0.32 H new ATOM 0 HB THR A 120 7.115 -0.486 -0.994 1.00 0.39 H new ATOM 0 HG1 THR A 120 4.951 -1.921 -2.147 1.00 0.52 H new ATOM 0 HG21 THR A 120 6.397 -2.735 -0.316 1.00 0.64 H new ATOM 0 HG22 THR A 120 6.158 -1.525 0.967 1.00 0.64 H new ATOM 0 HG23 THR A 120 4.767 -2.103 0.019 1.00 0.64 H new ATOM 1981 N GLN A 121 4.482 0.581 1.569 1.00 0.37 N ATOM 1982 CA GLN A 121 4.644 0.627 3.023 1.00 0.36 C ATOM 1983 C GLN A 121 4.008 -0.569 3.744 1.00 0.38 C ATOM 1984 O GLN A 121 3.085 -1.218 3.254 1.00 0.43 O ATOM 1985 CB GLN A 121 4.134 1.965 3.612 1.00 0.42 C ATOM 1986 CG GLN A 121 5.209 3.034 3.883 1.00 1.20 C ATOM 1987 CD GLN A 121 6.233 2.617 4.938 1.00 2.08 C ATOM 1988 OE1 GLN A 121 6.974 1.666 4.759 1.00 2.91 O ATOM 1989 NE2 GLN A 121 6.351 3.306 6.051 1.00 2.86 N ATOM 0 H GLN A 121 3.575 0.227 1.263 1.00 0.37 H new ATOM 0 HA GLN A 121 5.717 0.560 3.203 1.00 0.36 H new ATOM 0 HB2 GLN A 121 3.397 2.384 2.927 1.00 0.42 H new ATOM 0 HB3 GLN A 121 3.615 1.754 4.547 1.00 0.42 H new ATOM 0 HG2 GLN A 121 5.730 3.258 2.952 1.00 1.20 H new ATOM 0 HG3 GLN A 121 4.722 3.954 4.205 1.00 1.20 H new ATOM 0 HE21 GLN A 121 5.742 4.106 6.223 1.00 2.86 H new ATOM 0 HE22 GLN A 121 7.052 3.041 6.743 1.00 2.86 H new ATOM 1998 N TYR A 122 4.535 -0.821 4.944 1.00 0.47 N ATOM 1999 CA TYR A 122 4.185 -1.895 5.880 1.00 0.48 C ATOM 2000 C TYR A 122 4.018 -1.334 7.305 1.00 0.49 C ATOM 2001 O TYR A 122 4.681 -0.364 7.685 1.00 0.60 O ATOM 2002 CB TYR A 122 5.318 -2.940 5.836 1.00 0.58 C ATOM 2003 CG TYR A 122 5.616 -3.706 7.116 1.00 0.60 C ATOM 2004 CD1 TYR A 122 4.939 -4.901 7.425 1.00 1.56 C ATOM 2005 CD2 TYR A 122 6.606 -3.221 7.994 1.00 1.87 C ATOM 2006 CE1 TYR A 122 5.286 -5.632 8.579 1.00 1.64 C ATOM 2007 CE2 TYR A 122 6.947 -3.937 9.156 1.00 1.93 C ATOM 2008 CZ TYR A 122 6.297 -5.157 9.443 1.00 0.90 C ATOM 2009 OH TYR A 122 6.644 -5.877 10.547 1.00 1.09 O ATOM 0 H TYR A 122 5.279 -0.232 5.318 1.00 0.47 H new ATOM 0 HA TYR A 122 3.238 -2.354 5.597 1.00 0.48 H new ATOM 0 HB2 TYR A 122 5.077 -3.665 5.058 1.00 0.58 H new ATOM 0 HB3 TYR A 122 6.232 -2.433 5.527 1.00 0.58 H new ATOM 0 HD1 TYR A 122 4.152 -5.258 6.777 1.00 1.56 H new ATOM 0 HD2 TYR A 122 7.108 -2.291 7.773 1.00 1.87 H new ATOM 0 HE1 TYR A 122 4.777 -6.558 8.803 1.00 1.64 H new ATOM 0 HE2 TYR A 122 7.703 -3.555 9.826 1.00 1.93 H new ATOM 0 HH TYR A 122 7.356 -5.410 11.032 1.00 1.09 H new ATOM 2019 N LEU A 123 3.167 -1.979 8.110 1.00 0.49 N ATOM 2020 CA LEU A 123 3.042 -1.751 9.554 1.00 0.55 C ATOM 2021 C LEU A 123 2.477 -3.030 10.197 1.00 0.67 C ATOM 2022 O LEU A 123 1.657 -3.717 9.592 1.00 0.78 O ATOM 2023 CB LEU A 123 2.167 -0.492 9.798 1.00 0.61 C ATOM 2024 CG LEU A 123 2.502 0.434 10.986 1.00 0.74 C ATOM 2025 CD1 LEU A 123 2.435 -0.260 12.350 1.00 2.20 C ATOM 2026 CD2 LEU A 123 3.867 1.116 10.809 1.00 2.16 C ATOM 0 H LEU A 123 2.528 -2.695 7.765 1.00 0.49 H new ATOM 0 HA LEU A 123 4.006 -1.551 10.021 1.00 0.55 H new ATOM 0 HB2 LEU A 123 2.199 0.112 8.891 1.00 0.61 H new ATOM 0 HB3 LEU A 123 1.137 -0.826 9.922 1.00 0.61 H new ATOM 0 HG LEU A 123 1.720 1.193 10.979 1.00 0.74 H new ATOM 0 HD11 LEU A 123 2.683 0.455 13.135 1.00 2.20 H new ATOM 0 HD12 LEU A 123 1.428 -0.644 12.514 1.00 2.20 H new ATOM 0 HD13 LEU A 123 3.146 -1.086 12.374 1.00 2.20 H new ATOM 0 HD21 LEU A 123 4.066 1.759 11.666 1.00 2.16 H new ATOM 0 HD22 LEU A 123 4.646 0.357 10.736 1.00 2.16 H new ATOM 0 HD23 LEU A 123 3.859 1.716 9.899 1.00 2.16 H new ATOM 2038 N MET A 124 2.907 -3.353 11.417 1.00 0.81 N ATOM 2039 CA MET A 124 2.441 -4.502 12.205 1.00 0.95 C ATOM 2040 C MET A 124 1.685 -3.982 13.433 1.00 1.08 C ATOM 2041 O MET A 124 2.216 -3.137 14.159 1.00 1.12 O ATOM 2042 CB MET A 124 3.671 -5.335 12.607 1.00 1.01 C ATOM 2043 CG MET A 124 3.335 -6.626 13.363 1.00 1.24 C ATOM 2044 SD MET A 124 2.529 -7.899 12.367 1.00 2.23 S ATOM 2045 CE MET A 124 1.189 -8.360 13.481 1.00 1.40 C ATOM 0 H MET A 124 3.615 -2.804 11.904 1.00 0.81 H new ATOM 0 HA MET A 124 1.762 -5.134 11.632 1.00 0.95 H new ATOM 0 HB2 MET A 124 4.233 -5.589 11.709 1.00 1.01 H new ATOM 0 HB3 MET A 124 4.324 -4.722 13.229 1.00 1.01 H new ATOM 0 HG2 MET A 124 4.255 -7.038 13.778 1.00 1.24 H new ATOM 0 HG3 MET A 124 2.688 -6.380 14.205 1.00 1.24 H new ATOM 0 HE1 MET A 124 0.535 -9.077 12.986 1.00 1.40 H new ATOM 0 HE2 MET A 124 1.604 -8.810 14.383 1.00 1.40 H new ATOM 0 HE3 MET A 124 0.617 -7.472 13.749 1.00 1.40 H new ATOM 2055 N LEU A 125 0.466 -4.474 13.691 1.00 1.24 N ATOM 2056 CA LEU A 125 -0.391 -3.947 14.760 1.00 1.38 C ATOM 2057 C LEU A 125 -0.363 -4.923 15.957 1.00 1.23 C ATOM 2058 O LEU A 125 -0.800 -6.069 15.805 1.00 1.36 O ATOM 2059 CB LEU A 125 -1.820 -3.735 14.204 1.00 1.69 C ATOM 2060 CG LEU A 125 -2.711 -2.836 15.087 1.00 1.64 C ATOM 2061 CD1 LEU A 125 -2.303 -1.357 14.990 1.00 1.94 C ATOM 2062 CD2 LEU A 125 -4.179 -2.977 14.663 1.00 3.01 C ATOM 0 H LEU A 125 0.049 -5.244 13.168 1.00 1.24 H new ATOM 0 HA LEU A 125 -0.028 -2.982 15.113 1.00 1.38 H new ATOM 0 HB2 LEU A 125 -1.750 -3.295 13.209 1.00 1.69 H new ATOM 0 HB3 LEU A 125 -2.302 -4.706 14.089 1.00 1.69 H new ATOM 0 HG LEU A 125 -2.582 -3.162 16.119 1.00 1.64 H new ATOM 0 HD11 LEU A 125 -2.954 -0.757 15.626 1.00 1.94 H new ATOM 0 HD12 LEU A 125 -1.270 -1.242 15.318 1.00 1.94 H new ATOM 0 HD13 LEU A 125 -2.395 -1.021 13.957 1.00 1.94 H new ATOM 0 HD21 LEU A 125 -4.802 -2.340 15.291 1.00 3.01 H new ATOM 0 HD22 LEU A 125 -4.287 -2.677 13.621 1.00 3.01 H new ATOM 0 HD23 LEU A 125 -4.492 -4.015 14.776 1.00 3.01 H new ATOM 2074 N PRO A 126 0.135 -4.502 17.141 1.00 1.16 N ATOM 2075 CA PRO A 126 0.350 -5.397 18.280 1.00 1.17 C ATOM 2076 C PRO A 126 -0.955 -5.793 18.986 1.00 1.17 C ATOM 2077 O PRO A 126 -0.984 -6.814 19.671 1.00 1.34 O ATOM 2078 CB PRO A 126 1.294 -4.633 19.215 1.00 1.48 C ATOM 2079 CG PRO A 126 0.940 -3.172 18.954 1.00 1.51 C ATOM 2080 CD PRO A 126 0.630 -3.165 17.458 1.00 1.34 C ATOM 0 HA PRO A 126 0.774 -6.347 17.954 1.00 1.17 H new ATOM 0 HB2 PRO A 126 1.134 -4.905 20.258 1.00 1.48 H new ATOM 0 HB3 PRO A 126 2.340 -4.840 18.988 1.00 1.48 H new ATOM 0 HG2 PRO A 126 0.084 -2.851 19.547 1.00 1.51 H new ATOM 0 HG3 PRO A 126 1.766 -2.505 19.200 1.00 1.51 H new ATOM 0 HD2 PRO A 126 -0.115 -2.406 17.218 1.00 1.34 H new ATOM 0 HD3 PRO A 126 1.522 -2.931 16.876 1.00 1.34 H new ATOM 2088 N GLU A 127 -2.038 -5.024 18.801 1.00 1.27 N ATOM 2089 CA GLU A 127 -3.384 -5.357 19.282 1.00 1.64 C ATOM 2090 C GLU A 127 -3.895 -6.668 18.654 1.00 1.82 C ATOM 2091 O GLU A 127 -4.290 -7.570 19.393 1.00 2.70 O ATOM 2092 CB GLU A 127 -4.316 -4.171 18.972 1.00 1.99 C ATOM 2093 CG GLU A 127 -5.758 -4.396 19.453 1.00 2.12 C ATOM 2094 CD GLU A 127 -6.665 -3.163 19.271 1.00 2.89 C ATOM 2095 OE1 GLU A 127 -6.321 -2.230 18.507 1.00 3.31 O ATOM 2096 OE2 GLU A 127 -7.749 -3.128 19.900 1.00 3.93 O ATOM 0 H GLU A 127 -2.000 -4.135 18.302 1.00 1.27 H new ATOM 0 HA GLU A 127 -3.361 -5.525 20.359 1.00 1.64 H new ATOM 0 HB2 GLU A 127 -3.919 -3.272 19.442 1.00 1.99 H new ATOM 0 HB3 GLU A 127 -4.322 -3.992 17.897 1.00 1.99 H new ATOM 0 HG2 GLU A 127 -6.187 -5.237 18.908 1.00 2.12 H new ATOM 0 HG3 GLU A 127 -5.742 -4.673 20.507 1.00 2.12 H new ATOM 2103 N ARG A 128 -3.839 -6.749 17.312 1.00 1.70 N ATOM 2104 CA ARG A 128 -4.168 -7.848 16.375 1.00 1.98 C ATOM 2105 C ARG A 128 -4.481 -7.239 14.996 1.00 1.97 C ATOM 2106 O ARG A 128 -5.476 -6.523 14.886 1.00 3.50 O ATOM 2107 CB ARG A 128 -5.350 -8.757 16.815 1.00 2.91 C ATOM 2108 CG ARG A 128 -4.964 -10.221 17.105 1.00 3.53 C ATOM 2109 CD ARG A 128 -4.224 -10.385 18.434 1.00 4.27 C ATOM 2110 NE ARG A 128 -3.994 -11.799 18.779 1.00 5.16 N ATOM 2111 CZ ARG A 128 -3.533 -12.231 19.948 1.00 5.90 C ATOM 2112 NH1 ARG A 128 -3.163 -11.396 20.899 1.00 6.05 N ATOM 2113 NH2 ARG A 128 -3.442 -13.523 20.185 1.00 7.06 N ATOM 0 H ARG A 128 -3.519 -5.936 16.786 1.00 1.70 H new ATOM 0 HA ARG A 128 -3.294 -8.499 16.352 1.00 1.98 H new ATOM 0 HB2 ARG A 128 -5.804 -8.331 17.710 1.00 2.91 H new ATOM 0 HB3 ARG A 128 -6.111 -8.744 16.034 1.00 2.91 H new ATOM 0 HG2 ARG A 128 -5.865 -10.834 17.118 1.00 3.53 H new ATOM 0 HG3 ARG A 128 -4.336 -10.594 16.296 1.00 3.53 H new ATOM 0 HD2 ARG A 128 -3.267 -9.867 18.380 1.00 4.27 H new ATOM 0 HD3 ARG A 128 -4.799 -9.909 19.228 1.00 4.27 H new ATOM 0 HE ARG A 128 -4.204 -12.499 18.067 1.00 5.16 H new ATOM 0 HH11 ARG A 128 -3.227 -10.389 20.747 1.00 6.05 H new ATOM 0 HH12 ARG A 128 -2.813 -11.757 21.787 1.00 6.05 H new ATOM 0 HH21 ARG A 128 -3.726 -14.194 19.471 1.00 7.06 H new ATOM 0 HH22 ARG A 128 -3.088 -13.853 21.083 1.00 7.06 H new ATOM 2127 N ALA A 129 -3.647 -7.542 13.987 1.00 1.30 N ATOM 2128 CA ALA A 129 -3.766 -7.302 12.527 1.00 1.10 C ATOM 2129 C ALA A 129 -2.417 -6.984 11.853 1.00 0.85 C ATOM 2130 O ALA A 129 -1.440 -6.604 12.501 1.00 1.17 O ATOM 2131 CB ALA A 129 -4.820 -6.247 12.144 1.00 1.65 C ATOM 0 H ALA A 129 -2.768 -8.017 14.193 1.00 1.30 H new ATOM 0 HA ALA A 129 -4.120 -8.257 12.138 1.00 1.10 H new ATOM 0 HB1 ALA A 129 -4.843 -6.132 11.060 1.00 1.65 H new ATOM 0 HB2 ALA A 129 -5.801 -6.568 12.496 1.00 1.65 H new ATOM 0 HB3 ALA A 129 -4.564 -5.293 12.604 1.00 1.65 H new ATOM 2137 N LEU A 130 -2.397 -7.110 10.526 1.00 0.70 N ATOM 2138 CA LEU A 130 -1.245 -6.851 9.658 1.00 0.70 C ATOM 2139 C LEU A 130 -1.737 -6.419 8.269 1.00 0.58 C ATOM 2140 O LEU A 130 -2.732 -6.936 7.761 1.00 0.54 O ATOM 2141 CB LEU A 130 -0.372 -8.124 9.638 1.00 1.16 C ATOM 2142 CG LEU A 130 0.837 -8.131 8.680 1.00 1.12 C ATOM 2143 CD1 LEU A 130 1.776 -6.934 8.864 1.00 1.58 C ATOM 2144 CD2 LEU A 130 1.647 -9.417 8.904 1.00 2.03 C ATOM 0 H LEU A 130 -3.220 -7.409 10.002 1.00 0.70 H new ATOM 0 HA LEU A 130 -0.629 -6.031 10.028 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -0.004 -8.298 10.649 1.00 1.16 H new ATOM 0 HB3 LEU A 130 -1.011 -8.969 9.382 1.00 1.16 H new ATOM 0 HG LEU A 130 0.431 -8.072 7.670 1.00 1.12 H new ATOM 0 HD11 LEU A 130 2.602 -7.007 8.157 1.00 1.58 H new ATOM 0 HD12 LEU A 130 1.226 -6.010 8.686 1.00 1.58 H new ATOM 0 HD13 LEU A 130 2.168 -6.932 9.881 1.00 1.58 H new ATOM 0 HD21 LEU A 130 2.504 -9.429 8.230 1.00 2.03 H new ATOM 0 HD22 LEU A 130 1.996 -9.452 9.936 1.00 2.03 H new ATOM 0 HD23 LEU A 130 1.016 -10.284 8.705 1.00 2.03 H new ATOM 2156 N GLY A 131 -1.046 -5.458 7.657 1.00 0.69 N ATOM 2157 CA GLY A 131 -1.371 -4.925 6.337 1.00 0.65 C ATOM 2158 C GLY A 131 -0.182 -4.277 5.633 1.00 0.73 C ATOM 2159 O GLY A 131 0.803 -3.877 6.259 1.00 0.82 O ATOM 0 H GLY A 131 -0.226 -5.019 8.076 1.00 0.69 H new ATOM 0 HA2 GLY A 131 -1.757 -5.731 5.713 1.00 0.65 H new ATOM 0 HA3 GLY A 131 -2.169 -4.189 6.437 1.00 0.65 H new ATOM 2163 N PHE A 132 -0.311 -4.175 4.314 1.00 0.76 N ATOM 2164 CA PHE A 132 0.671 -3.599 3.394 1.00 0.79 C ATOM 2165 C PHE A 132 -0.084 -2.777 2.340 1.00 0.79 C ATOM 2166 O PHE A 132 -1.164 -3.189 1.916 1.00 0.92 O ATOM 2167 CB PHE A 132 1.473 -4.721 2.698 1.00 0.89 C ATOM 2168 CG PHE A 132 2.231 -5.698 3.589 1.00 1.34 C ATOM 2169 CD1 PHE A 132 1.550 -6.720 4.283 1.00 2.25 C ATOM 2170 CD2 PHE A 132 3.634 -5.626 3.676 1.00 2.76 C ATOM 2171 CE1 PHE A 132 2.263 -7.625 5.090 1.00 3.06 C ATOM 2172 CE2 PHE A 132 4.349 -6.557 4.451 1.00 3.60 C ATOM 2173 CZ PHE A 132 3.663 -7.548 5.170 1.00 3.38 C ATOM 0 H PHE A 132 -1.145 -4.508 3.831 1.00 0.76 H new ATOM 0 HA PHE A 132 1.368 -2.967 3.944 1.00 0.79 H new ATOM 0 HB2 PHE A 132 0.782 -5.295 2.080 1.00 0.89 H new ATOM 0 HB3 PHE A 132 2.191 -4.253 2.024 1.00 0.89 H new ATOM 0 HD1 PHE A 132 0.477 -6.808 4.194 1.00 2.25 H new ATOM 0 HD2 PHE A 132 4.165 -4.851 3.144 1.00 2.76 H new ATOM 0 HE1 PHE A 132 1.732 -8.381 5.650 1.00 3.06 H new ATOM 0 HE2 PHE A 132 5.427 -6.509 4.493 1.00 3.60 H new ATOM 0 HZ PHE A 132 4.210 -8.249 5.783 1.00 3.38 H new ATOM 2183 N LEU A 133 0.472 -1.658 1.872 1.00 0.68 N ATOM 2184 CA LEU A 133 -0.091 -0.909 0.738 1.00 0.63 C ATOM 2185 C LEU A 133 0.991 -0.464 -0.244 1.00 0.56 C ATOM 2186 O LEU A 133 2.155 -0.301 0.123 1.00 0.57 O ATOM 2187 CB LEU A 133 -1.017 0.242 1.211 1.00 0.67 C ATOM 2188 CG LEU A 133 -0.376 1.622 1.489 1.00 0.68 C ATOM 2189 CD1 LEU A 133 -1.473 2.646 1.820 1.00 1.74 C ATOM 2190 CD2 LEU A 133 0.611 1.595 2.657 1.00 2.08 C ATOM 0 H LEU A 133 1.319 -1.245 2.262 1.00 0.68 H new ATOM 0 HA LEU A 133 -0.732 -1.589 0.177 1.00 0.63 H new ATOM 0 HB2 LEU A 133 -1.791 0.379 0.456 1.00 0.67 H new ATOM 0 HB3 LEU A 133 -1.516 -0.084 2.123 1.00 0.67 H new ATOM 0 HG LEU A 133 0.169 1.897 0.586 1.00 0.68 H new ATOM 0 HD11 LEU A 133 -1.018 3.617 2.015 1.00 1.74 H new ATOM 0 HD12 LEU A 133 -2.159 2.730 0.977 1.00 1.74 H new ATOM 0 HD13 LEU A 133 -2.022 2.319 2.703 1.00 1.74 H new ATOM 0 HD21 LEU A 133 1.028 2.591 2.804 1.00 2.08 H new ATOM 0 HD22 LEU A 133 0.094 1.281 3.563 1.00 2.08 H new ATOM 0 HD23 LEU A 133 1.416 0.894 2.437 1.00 2.08 H new ATOM 2202 N SER A 134 0.602 -0.241 -1.493 1.00 0.52 N ATOM 2203 CA SER A 134 1.489 0.278 -2.535 1.00 0.46 C ATOM 2204 C SER A 134 0.733 1.190 -3.517 1.00 0.45 C ATOM 2205 O SER A 134 -0.465 1.007 -3.768 1.00 0.47 O ATOM 2206 CB SER A 134 2.233 -0.872 -3.251 1.00 0.52 C ATOM 2207 OG SER A 134 1.453 -1.493 -4.260 1.00 2.12 O ATOM 0 H SER A 134 -0.349 -0.416 -1.818 1.00 0.52 H new ATOM 0 HA SER A 134 2.246 0.900 -2.057 1.00 0.46 H new ATOM 0 HB2 SER A 134 3.149 -0.483 -3.695 1.00 0.52 H new ATOM 0 HB3 SER A 134 2.528 -1.620 -2.515 1.00 0.52 H new ATOM 0 HG SER A 134 1.411 -2.458 -4.094 1.00 2.12 H new ATOM 2213 N PHE A 135 1.433 2.185 -4.073 1.00 0.52 N ATOM 2214 CA PHE A 135 0.961 2.974 -5.211 1.00 0.50 C ATOM 2215 C PHE A 135 1.943 2.802 -6.370 1.00 0.39 C ATOM 2216 O PHE A 135 3.156 2.907 -6.179 1.00 0.36 O ATOM 2217 CB PHE A 135 0.814 4.472 -4.867 1.00 0.58 C ATOM 2218 CG PHE A 135 0.124 4.838 -3.562 1.00 0.69 C ATOM 2219 CD1 PHE A 135 -1.066 4.185 -3.183 1.00 2.07 C ATOM 2220 CD2 PHE A 135 0.647 5.864 -2.742 1.00 1.46 C ATOM 2221 CE1 PHE A 135 -1.709 4.519 -1.979 1.00 2.23 C ATOM 2222 CE2 PHE A 135 -0.010 6.207 -1.547 1.00 1.51 C ATOM 2223 CZ PHE A 135 -1.178 5.529 -1.160 1.00 1.15 C ATOM 0 H PHE A 135 2.355 2.467 -3.739 1.00 0.52 H new ATOM 0 HA PHE A 135 -0.029 2.612 -5.487 1.00 0.50 H new ATOM 0 HB2 PHE A 135 1.811 4.911 -4.853 1.00 0.58 H new ATOM 0 HB3 PHE A 135 0.267 4.950 -5.680 1.00 0.58 H new ATOM 0 HD1 PHE A 135 -1.487 3.423 -3.822 1.00 2.07 H new ATOM 0 HD2 PHE A 135 1.549 6.383 -3.033 1.00 1.46 H new ATOM 0 HE1 PHE A 135 -2.609 4.000 -1.684 1.00 2.23 H new ATOM 0 HE2 PHE A 135 0.385 6.995 -0.924 1.00 1.51 H new ATOM 0 HZ PHE A 135 -1.668 5.785 -0.232 1.00 1.15 H new ATOM 2233 N SER A 136 1.424 2.592 -7.572 1.00 0.43 N ATOM 2234 CA SER A 136 2.166 2.631 -8.834 1.00 0.40 C ATOM 2235 C SER A 136 1.864 3.938 -9.586 1.00 0.61 C ATOM 2236 O SER A 136 0.828 4.562 -9.348 1.00 0.98 O ATOM 2237 CB SER A 136 1.793 1.416 -9.693 1.00 0.65 C ATOM 2238 OG SER A 136 0.394 1.318 -9.908 1.00 1.74 O ATOM 0 H SER A 136 0.435 2.381 -7.705 1.00 0.43 H new ATOM 0 HA SER A 136 3.235 2.596 -8.623 1.00 0.40 H new ATOM 0 HB2 SER A 136 2.302 1.483 -10.654 1.00 0.65 H new ATOM 0 HB3 SER A 136 2.148 0.507 -9.207 1.00 0.65 H new ATOM 0 HG SER A 136 0.170 1.698 -10.783 1.00 1.74 H new ATOM 2244 N ARG A 137 2.764 4.368 -10.482 1.00 0.53 N ATOM 2245 CA ARG A 137 2.611 5.588 -11.289 1.00 0.66 C ATOM 2246 C ARG A 137 3.019 5.349 -12.747 1.00 0.80 C ATOM 2247 O ARG A 137 3.928 4.566 -13.022 1.00 0.87 O ATOM 2248 CB ARG A 137 3.383 6.798 -10.721 1.00 0.76 C ATOM 2249 CG ARG A 137 3.276 7.047 -9.209 1.00 2.18 C ATOM 2250 CD ARG A 137 4.279 6.252 -8.365 1.00 2.80 C ATOM 2251 NE ARG A 137 4.000 6.459 -6.938 1.00 4.31 N ATOM 2252 CZ ARG A 137 4.518 7.397 -6.156 1.00 4.76 C ATOM 2253 NH1 ARG A 137 5.484 8.201 -6.550 1.00 4.20 N ATOM 2254 NH2 ARG A 137 4.063 7.532 -4.935 1.00 6.39 N ATOM 0 H ARG A 137 3.634 3.869 -10.670 1.00 0.53 H new ATOM 0 HA ARG A 137 1.550 5.834 -11.247 1.00 0.66 H new ATOM 0 HB2 ARG A 137 4.437 6.674 -10.970 1.00 0.76 H new ATOM 0 HB3 ARG A 137 3.036 7.693 -11.237 1.00 0.76 H new ATOM 0 HG2 ARG A 137 3.420 8.110 -9.017 1.00 2.18 H new ATOM 0 HG3 ARG A 137 2.266 6.798 -8.882 1.00 2.18 H new ATOM 0 HD2 ARG A 137 4.213 5.191 -8.608 1.00 2.80 H new ATOM 0 HD3 ARG A 137 5.296 6.570 -8.596 1.00 2.80 H new ATOM 0 HE ARG A 137 3.339 5.815 -6.503 1.00 4.31 H new ATOM 0 HH11 ARG A 137 5.865 8.117 -7.492 1.00 4.20 H new ATOM 0 HH12 ARG A 137 5.851 8.908 -5.913 1.00 4.20 H new ATOM 0 HH21 ARG A 137 3.320 6.920 -4.597 1.00 6.39 H new ATOM 0 HH22 ARG A 137 4.452 8.249 -4.322 1.00 6.39 H new ATOM 2268 N CYS A 138 2.395 6.085 -13.669 1.00 0.86 N ATOM 2269 CA CYS A 138 2.731 6.143 -15.096 1.00 1.01 C ATOM 2270 C CYS A 138 4.003 6.963 -15.391 1.00 1.08 C ATOM 2271 O CYS A 138 4.555 6.886 -16.486 1.00 1.25 O ATOM 2272 CB CYS A 138 1.510 6.674 -15.866 1.00 1.13 C ATOM 2273 SG CYS A 138 1.178 8.421 -15.475 1.00 2.50 S ATOM 0 H CYS A 138 1.605 6.685 -13.432 1.00 0.86 H new ATOM 0 HA CYS A 138 2.969 5.134 -15.434 1.00 1.01 H new ATOM 0 HB2 CYS A 138 1.680 6.566 -16.937 1.00 1.13 H new ATOM 0 HB3 CYS A 138 0.635 6.073 -15.620 1.00 1.13 H new ATOM 0 HG CYS A 138 0.665 8.509 -14.284 1.00 2.50 H new ATOM 2279 N SER A 139 4.493 7.728 -14.416 1.00 1.00 N ATOM 2280 CA SER A 139 5.834 8.317 -14.452 1.00 1.04 C ATOM 2281 C SER A 139 6.905 7.256 -14.143 1.00 0.99 C ATOM 2282 O SER A 139 6.802 6.509 -13.167 1.00 1.20 O ATOM 2283 CB SER A 139 5.927 9.473 -13.453 1.00 1.12 C ATOM 2284 OG SER A 139 7.170 10.143 -13.573 1.00 2.39 O ATOM 0 H SER A 139 3.968 7.959 -13.572 1.00 1.00 H new ATOM 0 HA SER A 139 6.015 8.701 -15.456 1.00 1.04 H new ATOM 0 HB2 SER A 139 5.112 10.176 -13.626 1.00 1.12 H new ATOM 0 HB3 SER A 139 5.810 9.093 -12.438 1.00 1.12 H new ATOM 0 HG SER A 139 7.209 10.879 -12.927 1.00 2.39 H new ATOM 2290 N ALA A 140 7.967 7.214 -14.953 1.00 0.84 N ATOM 2291 CA ALA A 140 9.130 6.335 -14.769 1.00 0.84 C ATOM 2292 C ALA A 140 10.142 6.880 -13.732 1.00 0.99 C ATOM 2293 O ALA A 140 11.254 6.358 -13.613 1.00 1.09 O ATOM 2294 CB ALA A 140 9.772 6.131 -16.148 1.00 0.85 C ATOM 0 H ALA A 140 8.045 7.807 -15.779 1.00 0.84 H new ATOM 0 HA ALA A 140 8.803 5.381 -14.356 1.00 0.84 H new ATOM 0 HB1 ALA A 140 10.642 5.481 -16.052 1.00 0.85 H new ATOM 0 HB2 ALA A 140 9.049 5.672 -16.822 1.00 0.85 H new ATOM 0 HB3 ALA A 140 10.082 7.095 -16.551 1.00 0.85 H new ATOM 2300 N ARG A 141 9.784 7.954 -13.018 1.00 1.11 N ATOM 2301 CA ARG A 141 10.678 8.734 -12.158 1.00 1.29 C ATOM 2302 C ARG A 141 11.132 7.962 -10.915 1.00 1.39 C ATOM 2303 O ARG A 141 10.371 7.228 -10.282 1.00 1.49 O ATOM 2304 CB ARG A 141 10.009 10.068 -11.785 1.00 1.41 C ATOM 2305 CG ARG A 141 10.211 11.210 -12.804 1.00 1.37 C ATOM 2306 CD ARG A 141 10.342 10.795 -14.280 1.00 1.33 C ATOM 2307 NE ARG A 141 10.370 11.967 -15.172 1.00 2.14 N ATOM 2308 CZ ARG A 141 9.330 12.523 -15.782 1.00 2.83 C ATOM 2309 NH1 ARG A 141 8.099 12.083 -15.620 1.00 3.64 N ATOM 2310 NH2 ARG A 141 9.523 13.552 -16.580 1.00 3.49 N ATOM 0 H ARG A 141 8.830 8.315 -13.024 1.00 1.11 H new ATOM 0 HA ARG A 141 11.586 8.939 -12.725 1.00 1.29 H new ATOM 0 HB2 ARG A 141 8.940 9.898 -11.661 1.00 1.41 H new ATOM 0 HB3 ARG A 141 10.395 10.392 -10.818 1.00 1.41 H new ATOM 0 HG2 ARG A 141 9.371 11.899 -12.716 1.00 1.37 H new ATOM 0 HG3 ARG A 141 11.107 11.763 -12.524 1.00 1.37 H new ATOM 0 HD2 ARG A 141 11.253 10.212 -14.415 1.00 1.33 H new ATOM 0 HD3 ARG A 141 9.507 10.149 -14.553 1.00 1.33 H new ATOM 0 HE ARG A 141 11.281 12.395 -15.338 1.00 2.14 H new ATOM 0 HH11 ARG A 141 7.918 11.287 -15.008 1.00 3.64 H new ATOM 0 HH12 ARG A 141 7.327 12.538 -16.107 1.00 3.64 H new ATOM 0 HH21 ARG A 141 10.465 13.915 -16.725 1.00 3.49 H new ATOM 0 HH22 ARG A 141 8.731 13.986 -17.053 1.00 3.49 H new ATOM 2324 N GLU A 142 12.404 8.154 -10.594 1.00 1.38 N ATOM 2325 CA GLU A 142 13.188 7.413 -9.612 1.00 1.30 C ATOM 2326 C GLU A 142 12.789 7.764 -8.169 1.00 1.19 C ATOM 2327 O GLU A 142 12.295 8.861 -7.897 1.00 1.22 O ATOM 2328 CB GLU A 142 14.688 7.709 -9.829 1.00 1.29 C ATOM 2329 CG GLU A 142 15.225 7.420 -11.248 1.00 2.41 C ATOM 2330 CD GLU A 142 14.892 8.473 -12.329 1.00 4.21 C ATOM 2331 OE1 GLU A 142 14.333 9.550 -12.015 1.00 5.09 O ATOM 2332 OE2 GLU A 142 15.189 8.216 -13.519 1.00 5.28 O ATOM 0 H GLU A 142 12.956 8.884 -11.045 1.00 1.38 H new ATOM 0 HA GLU A 142 12.988 6.351 -9.755 1.00 1.30 H new ATOM 0 HB2 GLU A 142 14.870 8.758 -9.597 1.00 1.29 H new ATOM 0 HB3 GLU A 142 15.264 7.120 -9.115 1.00 1.29 H new ATOM 0 HG2 GLU A 142 16.309 7.318 -11.190 1.00 2.41 H new ATOM 0 HG3 GLU A 142 14.831 6.457 -11.574 1.00 2.41 H new ATOM 2339 N ILE A 143 13.042 6.849 -7.225 1.00 1.14 N ATOM 2340 CA ILE A 143 12.857 7.094 -5.784 1.00 1.04 C ATOM 2341 C ILE A 143 14.205 7.459 -5.119 1.00 0.93 C ATOM 2342 O ILE A 143 15.123 6.629 -5.138 1.00 0.93 O ATOM 2343 CB ILE A 143 12.161 5.879 -5.117 1.00 1.06 C ATOM 2344 CG1 ILE A 143 10.649 5.855 -5.445 1.00 1.29 C ATOM 2345 CG2 ILE A 143 12.367 5.833 -3.596 1.00 1.29 C ATOM 2346 CD1 ILE A 143 9.811 6.881 -4.662 1.00 1.77 C ATOM 0 H ILE A 143 13.383 5.912 -7.438 1.00 1.14 H new ATOM 0 HA ILE A 143 12.199 7.951 -5.642 1.00 1.04 H new ATOM 0 HB ILE A 143 12.635 4.992 -5.536 1.00 1.06 H new ATOM 0 HG12 ILE A 143 10.518 6.036 -6.512 1.00 1.29 H new ATOM 0 HG13 ILE A 143 10.262 4.857 -5.241 1.00 1.29 H new ATOM 0 HG21 ILE A 143 11.857 4.961 -3.186 1.00 1.29 H new ATOM 0 HG22 ILE A 143 13.432 5.767 -3.375 1.00 1.29 H new ATOM 0 HG23 ILE A 143 11.958 6.738 -3.146 1.00 1.29 H new ATOM 0 HD11 ILE A 143 8.764 6.795 -4.954 1.00 1.77 H new ATOM 0 HD12 ILE A 143 9.907 6.689 -3.593 1.00 1.77 H new ATOM 0 HD13 ILE A 143 10.168 7.887 -4.883 1.00 1.77 H new ATOM 2358 N PRO A 144 14.324 8.665 -4.518 1.00 0.94 N ATOM 2359 CA PRO A 144 15.378 9.028 -3.575 1.00 0.98 C ATOM 2360 C PRO A 144 14.972 8.527 -2.180 1.00 1.02 C ATOM 2361 O PRO A 144 14.892 7.323 -1.954 1.00 1.82 O ATOM 2362 CB PRO A 144 15.519 10.548 -3.739 1.00 1.12 C ATOM 2363 CG PRO A 144 14.088 11.010 -4.015 1.00 1.16 C ATOM 2364 CD PRO A 144 13.477 9.830 -4.771 1.00 1.05 C ATOM 0 HA PRO A 144 16.355 8.574 -3.744 1.00 0.98 H new ATOM 0 HB2 PRO A 144 15.925 11.013 -2.841 1.00 1.12 H new ATOM 0 HB3 PRO A 144 16.189 10.803 -4.560 1.00 1.12 H new ATOM 0 HG2 PRO A 144 13.548 11.219 -3.092 1.00 1.16 H new ATOM 0 HG3 PRO A 144 14.068 11.923 -4.610 1.00 1.16 H new ATOM 0 HD2 PRO A 144 12.457 9.644 -4.434 1.00 1.05 H new ATOM 0 HD3 PRO A 144 13.426 10.043 -5.839 1.00 1.05 H new ATOM 2372 N ILE A 145 14.693 9.432 -1.241 1.00 0.80 N ATOM 2373 CA ILE A 145 14.231 9.130 0.124 1.00 0.76 C ATOM 2374 C ILE A 145 12.769 8.660 0.206 1.00 0.94 C ATOM 2375 O ILE A 145 12.406 8.072 1.222 1.00 1.62 O ATOM 2376 CB ILE A 145 14.572 10.360 1.009 1.00 0.77 C ATOM 2377 CG1 ILE A 145 14.240 10.191 2.514 1.00 0.82 C ATOM 2378 CG2 ILE A 145 14.028 11.698 0.465 1.00 0.87 C ATOM 2379 CD1 ILE A 145 12.845 10.653 2.984 1.00 0.92 C ATOM 0 H ILE A 145 14.784 10.433 -1.411 1.00 0.80 H new ATOM 0 HA ILE A 145 14.758 8.257 0.508 1.00 0.76 H new ATOM 0 HB ILE A 145 15.659 10.407 0.942 1.00 0.77 H new ATOM 0 HG12 ILE A 145 14.350 9.137 2.768 1.00 0.82 H new ATOM 0 HG13 ILE A 145 14.988 10.737 3.088 1.00 0.82 H new ATOM 0 HG21 ILE A 145 14.309 12.506 1.140 1.00 0.87 H new ATOM 0 HG22 ILE A 145 14.449 11.887 -0.523 1.00 0.87 H new ATOM 0 HG23 ILE A 145 12.942 11.647 0.393 1.00 0.87 H new ATOM 0 HD11 ILE A 145 12.746 10.478 4.055 1.00 0.92 H new ATOM 0 HD12 ILE A 145 12.725 11.716 2.777 1.00 0.92 H new ATOM 0 HD13 ILE A 145 12.077 10.091 2.452 1.00 0.92 H new ATOM 2391 N LEU A 146 11.986 8.902 -0.864 1.00 0.85 N ATOM 2392 CA LEU A 146 10.518 8.781 -1.079 1.00 1.00 C ATOM 2393 C LEU A 146 9.903 10.181 -1.319 1.00 1.09 C ATOM 2394 O LEU A 146 8.841 10.295 -1.920 1.00 1.52 O ATOM 2395 CB LEU A 146 9.816 7.970 0.046 1.00 1.16 C ATOM 2396 CG LEU A 146 8.284 7.801 0.011 1.00 1.37 C ATOM 2397 CD1 LEU A 146 7.758 7.268 -1.317 1.00 1.82 C ATOM 2398 CD2 LEU A 146 7.842 6.788 1.083 1.00 2.34 C ATOM 0 H LEU A 146 12.426 9.234 -1.722 1.00 0.85 H new ATOM 0 HA LEU A 146 10.344 8.194 -1.981 1.00 1.00 H new ATOM 0 HB2 LEU A 146 10.255 6.973 0.054 1.00 1.16 H new ATOM 0 HB3 LEU A 146 10.072 8.439 0.996 1.00 1.16 H new ATOM 0 HG LEU A 146 7.882 8.800 0.180 1.00 1.37 H new ATOM 0 HD11 LEU A 146 6.673 7.175 -1.268 1.00 1.82 H new ATOM 0 HD12 LEU A 146 8.027 7.957 -2.118 1.00 1.82 H new ATOM 0 HD13 LEU A 146 8.197 6.291 -1.516 1.00 1.82 H new ATOM 0 HD21 LEU A 146 6.758 6.674 1.052 1.00 2.34 H new ATOM 0 HD22 LEU A 146 8.314 5.825 0.890 1.00 2.34 H new ATOM 0 HD23 LEU A 146 8.141 7.147 2.068 1.00 2.34 H new ATOM 2410 N SER A 147 10.620 11.228 -0.896 1.00 0.78 N ATOM 2411 CA SER A 147 10.267 12.664 -0.835 1.00 0.76 C ATOM 2412 C SER A 147 9.597 12.912 0.519 1.00 0.74 C ATOM 2413 O SER A 147 8.590 12.281 0.818 1.00 0.72 O ATOM 2414 CB SER A 147 9.362 13.169 -1.973 1.00 0.71 C ATOM 2415 OG SER A 147 9.900 12.867 -3.254 1.00 1.24 O ATOM 0 H SER A 147 11.568 11.081 -0.548 1.00 0.78 H new ATOM 0 HA SER A 147 11.192 13.228 -0.957 1.00 0.76 H new ATOM 0 HB2 SER A 147 8.374 12.717 -1.879 1.00 0.71 H new ATOM 0 HB3 SER A 147 9.230 14.247 -1.880 1.00 0.71 H new ATOM 0 HG SER A 147 9.296 13.202 -3.950 1.00 1.24 H new ATOM 2421 N ASP A 148 10.144 13.773 1.384 1.00 0.83 N ATOM 2422 CA ASP A 148 9.804 13.721 2.817 1.00 0.89 C ATOM 2423 C ASP A 148 8.335 14.074 3.127 1.00 0.83 C ATOM 2424 O ASP A 148 7.749 13.523 4.056 1.00 0.87 O ATOM 2425 CB ASP A 148 10.800 14.553 3.635 1.00 1.12 C ATOM 2426 CG ASP A 148 10.713 14.251 5.143 1.00 3.06 C ATOM 2427 OD1 ASP A 148 10.936 13.081 5.542 1.00 4.39 O ATOM 2428 OD2 ASP A 148 10.464 15.199 5.924 1.00 4.08 O ATOM 0 H ASP A 148 10.811 14.501 1.128 1.00 0.83 H new ATOM 0 HA ASP A 148 9.898 12.679 3.125 1.00 0.89 H new ATOM 0 HB2 ASP A 148 11.812 14.352 3.284 1.00 1.12 H new ATOM 0 HB3 ASP A 148 10.609 15.613 3.467 1.00 1.12 H new ATOM 2433 N GLU A 149 7.703 14.924 2.312 1.00 0.78 N ATOM 2434 CA GLU A 149 6.266 15.211 2.424 1.00 0.78 C ATOM 2435 C GLU A 149 5.393 14.012 2.013 1.00 0.76 C ATOM 2436 O GLU A 149 4.290 13.847 2.538 1.00 0.91 O ATOM 2437 CB GLU A 149 5.905 16.515 1.685 1.00 0.90 C ATOM 2438 CG GLU A 149 5.670 16.409 0.168 1.00 1.56 C ATOM 2439 CD GLU A 149 4.200 16.105 -0.173 1.00 2.15 C ATOM 2440 OE1 GLU A 149 3.323 16.958 0.093 1.00 2.49 O ATOM 2441 OE2 GLU A 149 3.893 15.005 -0.687 1.00 3.29 O ATOM 0 H GLU A 149 8.168 15.431 1.559 1.00 0.78 H new ATOM 0 HA GLU A 149 6.040 15.376 3.478 1.00 0.78 H new ATOM 0 HB2 GLU A 149 5.004 16.926 2.141 1.00 0.90 H new ATOM 0 HB3 GLU A 149 6.705 17.235 1.856 1.00 0.90 H new ATOM 0 HG2 GLU A 149 5.966 17.343 -0.310 1.00 1.56 H new ATOM 0 HG3 GLU A 149 6.306 15.625 -0.243 1.00 1.56 H new ATOM 2448 N LEU A 150 5.872 13.163 1.092 1.00 0.71 N ATOM 2449 CA LEU A 150 5.230 11.897 0.733 1.00 0.67 C ATOM 2450 C LEU A 150 5.554 10.821 1.773 1.00 0.68 C ATOM 2451 O LEU A 150 4.657 10.094 2.171 1.00 0.72 O ATOM 2452 CB LEU A 150 5.651 11.467 -0.695 1.00 0.66 C ATOM 2453 CG LEU A 150 4.578 10.703 -1.511 1.00 0.95 C ATOM 2454 CD1 LEU A 150 5.182 10.146 -2.804 1.00 1.63 C ATOM 2455 CD2 LEU A 150 3.933 9.510 -0.798 1.00 2.35 C ATOM 0 H LEU A 150 6.730 13.342 0.570 1.00 0.71 H new ATOM 0 HA LEU A 150 4.148 12.033 0.730 1.00 0.67 H new ATOM 0 HB2 LEU A 150 5.939 12.358 -1.253 1.00 0.66 H new ATOM 0 HB3 LEU A 150 6.538 10.839 -0.618 1.00 0.66 H new ATOM 0 HG LEU A 150 3.807 11.454 -1.682 1.00 0.95 H new ATOM 0 HD11 LEU A 150 4.414 9.613 -3.364 1.00 1.63 H new ATOM 0 HD12 LEU A 150 5.568 10.967 -3.409 1.00 1.63 H new ATOM 0 HD13 LEU A 150 5.995 9.462 -2.561 1.00 1.63 H new ATOM 0 HD21 LEU A 150 3.198 9.047 -1.456 1.00 2.35 H new ATOM 0 HD22 LEU A 150 4.701 8.780 -0.542 1.00 2.35 H new ATOM 0 HD23 LEU A 150 3.440 9.853 0.112 1.00 2.35 H new ATOM 2467 N GLN A 151 6.801 10.707 2.237 1.00 0.67 N ATOM 2468 CA GLN A 151 7.223 9.660 3.177 1.00 0.66 C ATOM 2469 C GLN A 151 6.496 9.759 4.521 1.00 0.66 C ATOM 2470 O GLN A 151 6.009 8.753 5.038 1.00 0.65 O ATOM 2471 CB GLN A 151 8.758 9.601 3.275 1.00 0.71 C ATOM 2472 CG GLN A 151 9.424 10.447 4.372 1.00 0.88 C ATOM 2473 CD GLN A 151 9.598 9.793 5.745 1.00 1.42 C ATOM 2474 OE1 GLN A 151 9.161 8.686 6.036 1.00 1.87 O ATOM 2475 NE2 GLN A 151 10.277 10.475 6.643 1.00 2.21 N ATOM 0 H GLN A 151 7.553 11.342 1.970 1.00 0.67 H new ATOM 0 HA GLN A 151 6.915 8.692 2.782 1.00 0.66 H new ATOM 0 HB2 GLN A 151 9.047 8.561 3.428 1.00 0.71 H new ATOM 0 HB3 GLN A 151 9.170 9.909 2.314 1.00 0.71 H new ATOM 0 HG2 GLN A 151 10.408 10.751 4.015 1.00 0.88 H new ATOM 0 HG3 GLN A 151 8.837 11.356 4.502 1.00 0.88 H new ATOM 0 HE21 GLN A 151 10.645 11.398 6.411 1.00 2.21 H new ATOM 0 HE22 GLN A 151 10.435 10.081 7.570 1.00 2.21 H new ATOM 2484 N LEU A 152 6.347 10.980 5.050 1.00 0.69 N ATOM 2485 CA LEU A 152 5.647 11.228 6.308 1.00 0.72 C ATOM 2486 C LEU A 152 4.147 11.003 6.134 1.00 0.71 C ATOM 2487 O LEU A 152 3.519 10.360 6.972 1.00 0.72 O ATOM 2488 CB LEU A 152 5.958 12.661 6.785 1.00 0.76 C ATOM 2489 CG LEU A 152 7.399 12.886 7.297 1.00 0.81 C ATOM 2490 CD1 LEU A 152 7.535 14.347 7.749 1.00 0.99 C ATOM 2491 CD2 LEU A 152 7.780 11.965 8.468 1.00 0.81 C ATOM 0 H LEU A 152 6.712 11.825 4.612 1.00 0.69 H new ATOM 0 HA LEU A 152 5.992 10.528 7.069 1.00 0.72 H new ATOM 0 HB2 LEU A 152 5.771 13.350 5.961 1.00 0.76 H new ATOM 0 HB3 LEU A 152 5.262 12.921 7.582 1.00 0.76 H new ATOM 0 HG LEU A 152 8.075 12.651 6.475 1.00 0.81 H new ATOM 0 HD11 LEU A 152 8.547 14.522 8.114 1.00 0.99 H new ATOM 0 HD12 LEU A 152 7.333 15.009 6.907 1.00 0.99 H new ATOM 0 HD13 LEU A 152 6.822 14.549 8.548 1.00 0.99 H new ATOM 0 HD21 LEU A 152 8.804 12.175 8.778 1.00 0.81 H new ATOM 0 HD22 LEU A 152 7.104 12.141 9.304 1.00 0.81 H new ATOM 0 HD23 LEU A 152 7.703 10.925 8.152 1.00 0.81 H new ATOM 2503 N LYS A 153 3.578 11.478 5.023 1.00 0.70 N ATOM 2504 CA LYS A 153 2.191 11.202 4.650 1.00 0.67 C ATOM 2505 C LYS A 153 1.916 9.704 4.415 1.00 0.58 C ATOM 2506 O LYS A 153 0.888 9.220 4.862 1.00 0.55 O ATOM 2507 CB LYS A 153 1.816 12.133 3.487 1.00 0.79 C ATOM 2508 CG LYS A 153 0.307 12.203 3.216 1.00 1.32 C ATOM 2509 CD LYS A 153 -0.101 13.489 2.475 1.00 1.73 C ATOM 2510 CE LYS A 153 0.557 13.668 1.094 1.00 2.16 C ATOM 2511 NZ LYS A 153 1.846 14.404 1.166 1.00 2.66 N ATOM 0 H LYS A 153 4.071 12.069 4.354 1.00 0.70 H new ATOM 0 HA LYS A 153 1.523 11.427 5.481 1.00 0.67 H new ATOM 0 HB2 LYS A 153 2.185 13.136 3.702 1.00 0.79 H new ATOM 0 HB3 LYS A 153 2.323 11.794 2.584 1.00 0.79 H new ATOM 0 HG2 LYS A 153 0.007 11.337 2.626 1.00 1.32 H new ATOM 0 HG3 LYS A 153 -0.232 12.146 4.162 1.00 1.32 H new ATOM 0 HD2 LYS A 153 -1.184 13.493 2.350 1.00 1.73 H new ATOM 0 HD3 LYS A 153 0.152 14.347 3.098 1.00 1.73 H new ATOM 0 HE2 LYS A 153 0.727 12.689 0.647 1.00 2.16 H new ATOM 0 HE3 LYS A 153 -0.127 14.204 0.436 1.00 2.16 H new ATOM 0 HZ1 LYS A 153 2.179 14.616 0.204 1.00 2.66 H new ATOM 0 HZ2 LYS A 153 1.710 15.293 1.689 1.00 2.66 H new ATOM 0 HZ3 LYS A 153 2.553 13.819 1.656 1.00 2.66 H new ATOM 2525 N MET A 154 2.834 8.934 3.820 1.00 0.56 N ATOM 2526 CA MET A 154 2.781 7.465 3.705 1.00 0.51 C ATOM 2527 C MET A 154 2.865 6.769 5.060 1.00 0.50 C ATOM 2528 O MET A 154 2.108 5.832 5.304 1.00 0.51 O ATOM 2529 CB MET A 154 3.908 6.958 2.789 1.00 0.52 C ATOM 2530 CG MET A 154 3.461 6.948 1.326 1.00 1.29 C ATOM 2531 SD MET A 154 2.432 5.534 0.852 1.00 2.36 S ATOM 2532 CE MET A 154 3.744 4.307 0.628 1.00 0.95 C ATOM 0 H MET A 154 3.669 9.329 3.387 1.00 0.56 H new ATOM 0 HA MET A 154 1.813 7.218 3.269 1.00 0.51 H new ATOM 0 HB2 MET A 154 4.786 7.594 2.901 1.00 0.52 H new ATOM 0 HB3 MET A 154 4.202 5.953 3.090 1.00 0.52 H new ATOM 0 HG2 MET A 154 2.908 7.865 1.124 1.00 1.29 H new ATOM 0 HG3 MET A 154 4.347 6.963 0.691 1.00 1.29 H new ATOM 0 HE1 MET A 154 3.300 3.321 0.488 1.00 0.95 H new ATOM 0 HE2 MET A 154 4.338 4.565 -0.249 1.00 0.95 H new ATOM 0 HE3 MET A 154 4.385 4.294 1.510 1.00 0.95 H new ATOM 2542 N GLN A 155 3.759 7.205 5.951 1.00 0.52 N ATOM 2543 CA GLN A 155 3.867 6.650 7.303 1.00 0.55 C ATOM 2544 C GLN A 155 2.599 6.918 8.132 1.00 0.57 C ATOM 2545 O GLN A 155 2.145 6.040 8.866 1.00 0.61 O ATOM 2546 CB GLN A 155 5.120 7.215 7.993 1.00 0.62 C ATOM 2547 CG GLN A 155 5.568 6.335 9.174 1.00 0.99 C ATOM 2548 CD GLN A 155 6.222 7.151 10.285 1.00 1.57 C ATOM 2549 OE1 GLN A 155 5.649 7.343 11.351 1.00 2.19 O ATOM 2550 NE2 GLN A 155 7.410 7.683 10.084 1.00 2.65 N ATOM 0 H GLN A 155 4.427 7.951 5.756 1.00 0.52 H new ATOM 0 HA GLN A 155 3.965 5.567 7.227 1.00 0.55 H new ATOM 0 HB2 GLN A 155 5.931 7.291 7.268 1.00 0.62 H new ATOM 0 HB3 GLN A 155 4.915 8.225 8.349 1.00 0.62 H new ATOM 0 HG2 GLN A 155 4.706 5.803 9.576 1.00 0.99 H new ATOM 0 HG3 GLN A 155 6.270 5.581 8.818 1.00 0.99 H new ATOM 0 HE21 GLN A 155 7.895 7.529 9.200 1.00 2.65 H new ATOM 0 HE22 GLN A 155 7.845 8.249 10.812 1.00 2.65 H new ATOM 2559 N LEU A 156 1.985 8.097 7.971 1.00 0.58 N ATOM 2560 CA LEU A 156 0.630 8.381 8.446 1.00 0.60 C ATOM 2561 C LEU A 156 -0.351 7.399 7.809 1.00 0.57 C ATOM 2562 O LEU A 156 -0.996 6.654 8.537 1.00 0.63 O ATOM 2563 CB LEU A 156 0.291 9.865 8.167 1.00 0.70 C ATOM 2564 CG LEU A 156 -1.211 10.227 8.137 1.00 0.95 C ATOM 2565 CD1 LEU A 156 -1.917 9.984 9.475 1.00 2.23 C ATOM 2566 CD2 LEU A 156 -1.388 11.685 7.700 1.00 2.26 C ATOM 0 H LEU A 156 2.423 8.889 7.501 1.00 0.58 H new ATOM 0 HA LEU A 156 0.555 8.238 9.524 1.00 0.60 H new ATOM 0 HB2 LEU A 156 0.776 10.476 8.928 1.00 0.70 H new ATOM 0 HB3 LEU A 156 0.730 10.142 7.209 1.00 0.70 H new ATOM 0 HG LEU A 156 -1.682 9.562 7.414 1.00 0.95 H new ATOM 0 HD11 LEU A 156 -2.968 10.258 9.387 1.00 2.23 H new ATOM 0 HD12 LEU A 156 -1.838 8.930 9.742 1.00 2.23 H new ATOM 0 HD13 LEU A 156 -1.448 10.591 10.249 1.00 2.23 H new ATOM 0 HD21 LEU A 156 -2.449 11.933 7.681 1.00 2.26 H new ATOM 0 HD22 LEU A 156 -0.875 12.341 8.403 1.00 2.26 H new ATOM 0 HD23 LEU A 156 -0.966 11.820 6.704 1.00 2.26 H new ATOM 2578 N LEU A 157 -0.438 7.368 6.477 1.00 0.54 N ATOM 2579 CA LEU A 157 -1.404 6.574 5.719 1.00 0.56 C ATOM 2580 C LEU A 157 -1.332 5.089 6.070 1.00 0.56 C ATOM 2581 O LEU A 157 -2.363 4.504 6.369 1.00 0.62 O ATOM 2582 CB LEU A 157 -1.243 6.832 4.205 1.00 0.54 C ATOM 2583 CG LEU A 157 -2.267 7.830 3.624 1.00 0.70 C ATOM 2584 CD1 LEU A 157 -2.339 9.211 4.291 1.00 1.75 C ATOM 2585 CD2 LEU A 157 -2.014 8.008 2.121 1.00 1.57 C ATOM 0 H LEU A 157 0.183 7.913 5.878 1.00 0.54 H new ATOM 0 HA LEU A 157 -2.405 6.897 6.005 1.00 0.56 H new ATOM 0 HB2 LEU A 157 -0.238 7.208 4.016 1.00 0.54 H new ATOM 0 HB3 LEU A 157 -1.334 5.884 3.674 1.00 0.54 H new ATOM 0 HG LEU A 157 -3.234 7.373 3.833 1.00 0.70 H new ATOM 0 HD11 LEU A 157 -3.095 9.817 3.792 1.00 1.75 H new ATOM 0 HD12 LEU A 157 -2.604 9.094 5.342 1.00 1.75 H new ATOM 0 HD13 LEU A 157 -1.370 9.703 4.214 1.00 1.75 H new ATOM 0 HD21 LEU A 157 -2.737 8.713 1.711 1.00 1.57 H new ATOM 0 HD22 LEU A 157 -1.006 8.391 1.965 1.00 1.57 H new ATOM 0 HD23 LEU A 157 -2.119 7.047 1.618 1.00 1.57 H new ATOM 2597 N VAL A 158 -0.150 4.474 6.113 1.00 0.55 N ATOM 2598 CA VAL A 158 -0.037 3.055 6.500 1.00 0.57 C ATOM 2599 C VAL A 158 -0.502 2.811 7.942 1.00 0.59 C ATOM 2600 O VAL A 158 -1.252 1.870 8.194 1.00 0.62 O ATOM 2601 CB VAL A 158 1.363 2.462 6.231 1.00 0.58 C ATOM 2602 CG1 VAL A 158 2.450 2.917 7.213 1.00 0.56 C ATOM 2603 CG2 VAL A 158 1.291 0.925 6.231 1.00 0.68 C ATOM 0 H VAL A 158 0.737 4.924 5.889 1.00 0.55 H new ATOM 0 HA VAL A 158 -0.721 2.512 5.848 1.00 0.57 H new ATOM 0 HB VAL A 158 1.657 2.844 5.253 1.00 0.58 H new ATOM 0 HG11 VAL A 158 3.399 2.451 6.947 1.00 0.56 H new ATOM 0 HG12 VAL A 158 2.552 4.001 7.166 1.00 0.56 H new ATOM 0 HG13 VAL A 158 2.172 2.623 8.225 1.00 0.56 H new ATOM 0 HG21 VAL A 158 2.283 0.514 6.041 1.00 0.68 H new ATOM 0 HG22 VAL A 158 0.934 0.577 7.201 1.00 0.68 H new ATOM 0 HG23 VAL A 158 0.605 0.593 5.452 1.00 0.68 H new ATOM 2613 N ARG A 159 -0.109 3.688 8.875 1.00 0.57 N ATOM 2614 CA ARG A 159 -0.518 3.598 10.281 1.00 0.61 C ATOM 2615 C ARG A 159 -2.035 3.739 10.423 1.00 0.62 C ATOM 2616 O ARG A 159 -2.674 2.905 11.070 1.00 0.67 O ATOM 2617 CB ARG A 159 0.239 4.652 11.109 1.00 0.63 C ATOM 2618 CG ARG A 159 -0.166 4.672 12.594 1.00 1.18 C ATOM 2619 CD ARG A 159 0.465 5.841 13.365 1.00 1.65 C ATOM 2620 NE ARG A 159 1.901 5.636 13.639 1.00 2.50 N ATOM 2621 CZ ARG A 159 2.934 6.154 12.982 1.00 3.99 C ATOM 2622 NH1 ARG A 159 2.814 6.820 11.855 1.00 5.31 N ATOM 2623 NH2 ARG A 159 4.153 6.014 13.450 1.00 4.83 N ATOM 0 H ARG A 159 0.502 4.480 8.675 1.00 0.57 H new ATOM 0 HA ARG A 159 -0.258 2.612 10.666 1.00 0.61 H new ATOM 0 HB2 ARG A 159 1.310 4.461 11.035 1.00 0.63 H new ATOM 0 HB3 ARG A 159 0.061 5.637 10.679 1.00 0.63 H new ATOM 0 HG2 ARG A 159 -1.251 4.736 12.669 1.00 1.18 H new ATOM 0 HG3 ARG A 159 0.131 3.732 13.060 1.00 1.18 H new ATOM 0 HD2 ARG A 159 0.336 6.760 12.792 1.00 1.65 H new ATOM 0 HD3 ARG A 159 -0.065 5.976 14.308 1.00 1.65 H new ATOM 0 HE ARG A 159 2.127 5.026 14.424 1.00 2.50 H new ATOM 0 HH11 ARG A 159 1.892 6.961 11.442 1.00 5.31 H new ATOM 0 HH12 ARG A 159 3.643 7.196 11.394 1.00 5.31 H new ATOM 0 HH21 ARG A 159 4.310 5.506 14.321 1.00 4.83 H new ATOM 0 HH22 ARG A 159 4.943 6.413 12.943 1.00 4.83 H new ATOM 2637 N GLU A 160 -2.608 4.778 9.814 1.00 0.59 N ATOM 2638 CA GLU A 160 -4.035 5.053 9.930 1.00 0.60 C ATOM 2639 C GLU A 160 -4.841 3.986 9.186 1.00 0.78 C ATOM 2640 O GLU A 160 -5.803 3.473 9.744 1.00 0.94 O ATOM 2641 CB GLU A 160 -4.406 6.511 9.592 1.00 0.64 C ATOM 2642 CG GLU A 160 -4.309 6.967 8.138 1.00 2.48 C ATOM 2643 CD GLU A 160 -5.288 6.294 7.166 1.00 4.74 C ATOM 2644 OE1 GLU A 160 -6.361 5.816 7.597 1.00 5.73 O ATOM 2645 OE2 GLU A 160 -4.935 6.213 5.971 1.00 6.08 O ATOM 0 H GLU A 160 -2.100 5.445 9.233 1.00 0.59 H new ATOM 0 HA GLU A 160 -4.318 4.973 10.980 1.00 0.60 H new ATOM 0 HB2 GLU A 160 -5.430 6.678 9.925 1.00 0.64 H new ATOM 0 HB3 GLU A 160 -3.767 7.163 10.188 1.00 0.64 H new ATOM 0 HG2 GLU A 160 -4.472 8.044 8.102 1.00 2.48 H new ATOM 0 HG3 GLU A 160 -3.293 6.786 7.786 1.00 2.48 H new ATOM 2652 N SER A 161 -4.417 3.571 7.988 1.00 0.81 N ATOM 2653 CA SER A 161 -5.177 2.638 7.159 1.00 0.78 C ATOM 2654 C SER A 161 -5.312 1.288 7.856 1.00 0.76 C ATOM 2655 O SER A 161 -6.409 0.732 7.881 1.00 0.74 O ATOM 2656 CB SER A 161 -4.535 2.486 5.771 1.00 0.81 C ATOM 2657 OG SER A 161 -5.279 1.619 4.925 1.00 1.04 O ATOM 0 H SER A 161 -3.538 3.874 7.569 1.00 0.81 H new ATOM 0 HA SER A 161 -6.178 3.045 7.016 1.00 0.78 H new ATOM 0 HB2 SER A 161 -4.453 3.466 5.301 1.00 0.81 H new ATOM 0 HB3 SER A 161 -3.522 2.100 5.882 1.00 0.81 H new ATOM 0 HG SER A 161 -4.836 1.553 4.053 1.00 1.04 H new ATOM 2663 N LEU A 162 -4.245 0.785 8.500 1.00 0.82 N ATOM 2664 CA LEU A 162 -4.377 -0.400 9.339 1.00 0.92 C ATOM 2665 C LEU A 162 -5.356 -0.152 10.485 1.00 0.81 C ATOM 2666 O LEU A 162 -6.322 -0.897 10.592 1.00 0.88 O ATOM 2667 CB LEU A 162 -3.019 -0.863 9.900 1.00 1.19 C ATOM 2668 CG LEU A 162 -2.335 -1.935 9.033 1.00 1.22 C ATOM 2669 CD1 LEU A 162 -1.588 -1.325 7.840 1.00 2.14 C ATOM 2670 CD2 LEU A 162 -1.375 -2.737 9.917 1.00 2.61 C ATOM 0 H LEU A 162 -3.304 1.176 8.453 1.00 0.82 H new ATOM 0 HA LEU A 162 -4.767 -1.195 8.704 1.00 0.92 H new ATOM 0 HB2 LEU A 162 -2.358 -0.001 9.989 1.00 1.19 H new ATOM 0 HB3 LEU A 162 -3.165 -1.258 10.906 1.00 1.19 H new ATOM 0 HG LEU A 162 -3.102 -2.589 8.617 1.00 1.22 H new ATOM 0 HD11 LEU A 162 -1.122 -2.120 7.258 1.00 2.14 H new ATOM 0 HD12 LEU A 162 -2.291 -0.779 7.211 1.00 2.14 H new ATOM 0 HD13 LEU A 162 -0.820 -0.642 8.202 1.00 2.14 H new ATOM 0 HD21 LEU A 162 -0.881 -3.502 9.317 1.00 2.61 H new ATOM 0 HD22 LEU A 162 -0.626 -2.068 10.340 1.00 2.61 H new ATOM 0 HD23 LEU A 162 -1.934 -3.212 10.723 1.00 2.61 H new ATOM 2682 N MET A 163 -5.176 0.885 11.310 1.00 0.74 N ATOM 2683 CA MET A 163 -5.988 1.015 12.532 1.00 0.79 C ATOM 2684 C MET A 163 -7.461 1.330 12.237 1.00 0.78 C ATOM 2685 O MET A 163 -8.345 0.743 12.860 1.00 0.85 O ATOM 2686 CB MET A 163 -5.346 1.970 13.553 1.00 0.93 C ATOM 2687 CG MET A 163 -5.429 3.446 13.164 1.00 0.92 C ATOM 2688 SD MET A 163 -4.598 4.574 14.311 1.00 1.76 S ATOM 2689 CE MET A 163 -5.146 6.152 13.608 1.00 1.21 C ATOM 0 H MET A 163 -4.495 1.630 11.164 1.00 0.74 H new ATOM 0 HA MET A 163 -6.000 0.034 13.008 1.00 0.79 H new ATOM 0 HB2 MET A 163 -5.832 1.832 14.519 1.00 0.93 H new ATOM 0 HB3 MET A 163 -4.298 1.697 13.681 1.00 0.93 H new ATOM 0 HG2 MET A 163 -4.995 3.572 12.172 1.00 0.92 H new ATOM 0 HG3 MET A 163 -6.479 3.731 13.091 1.00 0.92 H new ATOM 0 HE1 MET A 163 -5.127 6.921 14.381 1.00 1.21 H new ATOM 0 HE2 MET A 163 -4.480 6.439 12.794 1.00 1.21 H new ATOM 0 HE3 MET A 163 -6.161 6.047 13.226 1.00 1.21 H new ATOM 2699 N ALA A 164 -7.733 2.212 11.271 1.00 0.71 N ATOM 2700 CA ALA A 164 -9.074 2.641 10.878 1.00 0.73 C ATOM 2701 C ALA A 164 -9.846 1.508 10.201 1.00 0.79 C ATOM 2702 O ALA A 164 -11.013 1.290 10.531 1.00 0.91 O ATOM 2703 CB ALA A 164 -8.965 3.900 9.986 1.00 0.74 C ATOM 0 H ALA A 164 -6.999 2.661 10.724 1.00 0.71 H new ATOM 0 HA ALA A 164 -9.647 2.902 11.768 1.00 0.73 H new ATOM 0 HB1 ALA A 164 -9.963 4.224 9.690 1.00 0.74 H new ATOM 0 HB2 ALA A 164 -8.474 4.699 10.542 1.00 0.74 H new ATOM 0 HB3 ALA A 164 -8.381 3.666 9.096 1.00 0.74 H new ATOM 2709 N LEU A 165 -9.198 0.750 9.311 1.00 0.77 N ATOM 2710 CA LEU A 165 -9.819 -0.390 8.634 1.00 0.89 C ATOM 2711 C LEU A 165 -10.001 -1.552 9.619 1.00 0.95 C ATOM 2712 O LEU A 165 -11.073 -2.146 9.640 1.00 1.06 O ATOM 2713 CB LEU A 165 -9.018 -0.714 7.354 1.00 0.88 C ATOM 2714 CG LEU A 165 -9.804 -1.338 6.185 1.00 1.19 C ATOM 2715 CD1 LEU A 165 -8.950 -1.283 4.909 1.00 2.06 C ATOM 2716 CD2 LEU A 165 -10.228 -2.783 6.458 1.00 2.35 C ATOM 0 H LEU A 165 -8.228 0.911 9.040 1.00 0.77 H new ATOM 0 HA LEU A 165 -10.829 -0.159 8.296 1.00 0.89 H new ATOM 0 HB2 LEU A 165 -8.556 0.207 7.000 1.00 0.88 H new ATOM 0 HB3 LEU A 165 -8.209 -1.394 7.622 1.00 0.88 H new ATOM 0 HG LEU A 165 -10.717 -0.756 6.062 1.00 1.19 H new ATOM 0 HD11 LEU A 165 -9.505 -1.724 4.081 1.00 2.06 H new ATOM 0 HD12 LEU A 165 -8.712 -0.245 4.675 1.00 2.06 H new ATOM 0 HD13 LEU A 165 -8.026 -1.840 5.065 1.00 2.06 H new ATOM 0 HD21 LEU A 165 -10.778 -3.169 5.600 1.00 2.35 H new ATOM 0 HD22 LEU A 165 -9.343 -3.396 6.628 1.00 2.35 H new ATOM 0 HD23 LEU A 165 -10.866 -2.814 7.341 1.00 2.35 H new ATOM 2728 N MET A 166 -9.027 -1.836 10.498 1.00 0.90 N ATOM 2729 CA MET A 166 -9.159 -2.873 11.543 1.00 0.99 C ATOM 2730 C MET A 166 -10.381 -2.598 12.430 1.00 0.99 C ATOM 2731 O MET A 166 -11.243 -3.468 12.579 1.00 1.10 O ATOM 2732 CB MET A 166 -7.871 -2.962 12.387 1.00 1.05 C ATOM 2733 CG MET A 166 -7.586 -4.329 13.010 1.00 1.74 C ATOM 2734 SD MET A 166 -8.868 -5.149 13.988 1.00 3.22 S ATOM 2735 CE MET A 166 -9.269 -6.455 12.799 1.00 2.07 C ATOM 0 H MET A 166 -8.127 -1.357 10.508 1.00 0.90 H new ATOM 0 HA MET A 166 -9.309 -3.836 11.054 1.00 0.99 H new ATOM 0 HB2 MET A 166 -7.025 -2.685 11.758 1.00 1.05 H new ATOM 0 HB3 MET A 166 -7.929 -2.223 13.186 1.00 1.05 H new ATOM 0 HG2 MET A 166 -7.310 -5.005 12.201 1.00 1.74 H new ATOM 0 HG3 MET A 166 -6.709 -4.220 13.648 1.00 1.74 H new ATOM 0 HE1 MET A 166 -9.876 -7.218 13.287 1.00 2.07 H new ATOM 0 HE2 MET A 166 -9.825 -6.029 11.964 1.00 2.07 H new ATOM 0 HE3 MET A 166 -8.348 -6.906 12.430 1.00 2.07 H new ATOM 2745 N ARG A 167 -10.522 -1.356 12.923 1.00 0.93 N ATOM 2746 CA ARG A 167 -11.661 -0.926 13.751 1.00 0.97 C ATOM 2747 C ARG A 167 -13.017 -0.992 13.035 1.00 1.06 C ATOM 2748 O ARG A 167 -14.054 -0.992 13.703 1.00 1.20 O ATOM 2749 CB ARG A 167 -11.442 0.506 14.279 1.00 0.98 C ATOM 2750 CG ARG A 167 -11.048 0.556 15.761 1.00 1.17 C ATOM 2751 CD ARG A 167 -12.196 0.183 16.722 1.00 1.77 C ATOM 2752 NE ARG A 167 -12.013 -1.153 17.323 1.00 2.29 N ATOM 2753 CZ ARG A 167 -12.666 -2.276 17.038 1.00 3.64 C ATOM 2754 NH1 ARG A 167 -13.643 -2.344 16.162 1.00 4.32 N ATOM 2755 NH2 ARG A 167 -12.329 -3.400 17.622 1.00 4.86 N ATOM 0 H ARG A 167 -9.841 -0.615 12.756 1.00 0.93 H new ATOM 0 HA ARG A 167 -11.700 -1.639 14.575 1.00 0.97 H new ATOM 0 HB2 ARG A 167 -10.664 0.988 13.687 1.00 0.98 H new ATOM 0 HB3 ARG A 167 -12.356 1.082 14.134 1.00 0.98 H new ATOM 0 HG2 ARG A 167 -10.211 -0.122 15.928 1.00 1.17 H new ATOM 0 HG3 ARG A 167 -10.697 1.560 16.001 1.00 1.17 H new ATOM 0 HD2 ARG A 167 -12.261 0.929 17.514 1.00 1.77 H new ATOM 0 HD3 ARG A 167 -13.142 0.209 16.181 1.00 1.77 H new ATOM 0 HE ARG A 167 -11.297 -1.223 18.046 1.00 2.29 H new ATOM 0 HH11 ARG A 167 -13.937 -1.506 15.659 1.00 4.32 H new ATOM 0 HH12 ARG A 167 -14.108 -3.234 15.985 1.00 4.32 H new ATOM 0 HH21 ARG A 167 -11.564 -3.415 18.297 1.00 4.86 H new ATOM 0 HH22 ARG A 167 -12.831 -4.260 17.402 1.00 4.86 H new ATOM 2769 N LEU A 168 -13.015 -1.019 11.703 1.00 1.05 N ATOM 2770 CA LEU A 168 -14.209 -1.172 10.865 1.00 1.19 C ATOM 2771 C LEU A 168 -14.477 -2.618 10.403 1.00 1.30 C ATOM 2772 O LEU A 168 -15.602 -2.920 10.006 1.00 1.54 O ATOM 2773 CB LEU A 168 -14.085 -0.196 9.681 1.00 1.26 C ATOM 2774 CG LEU A 168 -15.102 0.952 9.814 1.00 1.55 C ATOM 2775 CD1 LEU A 168 -14.671 2.123 8.932 1.00 2.56 C ATOM 2776 CD2 LEU A 168 -16.503 0.452 9.439 1.00 1.50 C ATOM 0 H LEU A 168 -12.157 -0.933 11.158 1.00 1.05 H new ATOM 0 HA LEU A 168 -15.084 -0.930 11.469 1.00 1.19 H new ATOM 0 HB2 LEU A 168 -13.074 0.210 9.642 1.00 1.26 H new ATOM 0 HB3 LEU A 168 -14.251 -0.729 8.745 1.00 1.26 H new ATOM 0 HG LEU A 168 -15.135 1.299 10.847 1.00 1.55 H new ATOM 0 HD11 LEU A 168 -15.392 2.935 9.027 1.00 2.56 H new ATOM 0 HD12 LEU A 168 -13.687 2.472 9.246 1.00 2.56 H new ATOM 0 HD13 LEU A 168 -14.626 1.798 7.893 1.00 2.56 H new ATOM 0 HD21 LEU A 168 -17.219 1.269 9.535 1.00 1.50 H new ATOM 0 HD22 LEU A 168 -16.498 0.093 8.410 1.00 1.50 H new ATOM 0 HD23 LEU A 168 -16.789 -0.362 10.105 1.00 1.50 H new ATOM 2788 N ASN A 169 -13.475 -3.504 10.447 1.00 1.23 N ATOM 2789 CA ASN A 169 -13.564 -4.875 9.931 1.00 1.37 C ATOM 2790 C ASN A 169 -13.709 -5.928 11.047 1.00 1.33 C ATOM 2791 O ASN A 169 -14.528 -6.835 10.899 1.00 1.54 O ATOM 2792 CB ASN A 169 -12.320 -5.153 9.064 1.00 1.48 C ATOM 2793 CG ASN A 169 -12.477 -6.283 8.040 1.00 1.60 C ATOM 2794 OD1 ASN A 169 -11.876 -6.243 6.974 1.00 1.88 O ATOM 2795 ND2 ASN A 169 -13.278 -7.305 8.289 1.00 2.57 N ATOM 0 H ASN A 169 -12.564 -3.284 10.849 1.00 1.23 H new ATOM 0 HA ASN A 169 -14.470 -4.958 9.330 1.00 1.37 H new ATOM 0 HB2 ASN A 169 -12.055 -4.238 8.534 1.00 1.48 H new ATOM 0 HB3 ASN A 169 -11.485 -5.394 9.722 1.00 1.48 H new ATOM 0 HD21 ASN A 169 -13.389 -8.047 7.597 1.00 2.57 H new ATOM 0 HD22 ASN A 169 -13.785 -7.352 9.173 1.00 2.57 H new ATOM 2802 N ASP A 170 -12.895 -5.858 12.111 1.00 1.18 N ATOM 2803 CA ASP A 170 -12.847 -6.778 13.273 1.00 1.35 C ATOM 2804 C ASP A 170 -12.492 -8.256 12.961 1.00 1.92 C ATOM 2805 O ASP A 170 -12.325 -9.050 13.890 1.00 2.32 O ATOM 2806 CB ASP A 170 -14.146 -6.674 14.100 1.00 1.97 C ATOM 2807 CG ASP A 170 -14.226 -5.366 14.895 1.00 2.52 C ATOM 2808 OD1 ASP A 170 -13.652 -5.302 16.008 1.00 2.68 O ATOM 2809 OD2 ASP A 170 -14.876 -4.399 14.435 1.00 3.71 O ATOM 0 H ASP A 170 -12.205 -5.111 12.195 1.00 1.18 H new ATOM 0 HA ASP A 170 -11.999 -6.430 13.863 1.00 1.35 H new ATOM 0 HB2 ASP A 170 -15.005 -6.744 13.433 1.00 1.97 H new ATOM 0 HB3 ASP A 170 -14.205 -7.518 14.787 1.00 1.97 H new ATOM 2814 N GLU A 171 -12.366 -8.642 11.684 1.00 2.41 N ATOM 2815 CA GLU A 171 -12.298 -10.029 11.203 1.00 3.53 C ATOM 2816 C GLU A 171 -10.984 -10.408 10.498 1.00 4.41 C ATOM 2817 O GLU A 171 -10.451 -11.492 10.814 1.00 5.22 O ATOM 2818 CB GLU A 171 -13.478 -10.258 10.238 1.00 4.02 C ATOM 2819 CG GLU A 171 -13.999 -11.694 10.324 1.00 4.27 C ATOM 2820 CD GLU A 171 -14.484 -12.218 8.956 1.00 5.06 C ATOM 2821 OE1 GLU A 171 -15.517 -11.735 8.433 1.00 5.81 O ATOM 2822 OE2 GLU A 171 -13.800 -13.095 8.372 1.00 5.51 O ATOM 2823 OXT GLU A 171 -10.538 -9.670 9.591 1.00 4.79 O ATOM 0 H GLU A 171 -12.306 -7.965 10.923 1.00 2.41 H new ATOM 0 HA GLU A 171 -12.347 -10.668 12.085 1.00 3.53 H new ATOM 0 HB2 GLU A 171 -14.283 -9.562 10.474 1.00 4.02 H new ATOM 0 HB3 GLU A 171 -13.162 -10.045 9.217 1.00 4.02 H new ATOM 0 HG2 GLU A 171 -13.209 -12.344 10.701 1.00 4.27 H new ATOM 0 HG3 GLU A 171 -14.819 -11.739 11.041 1.00 4.27 H new TER 2830 GLU A 171 HETATM 2831 C8 HTF A 172 -4.072 -9.643 -8.042 1.00 1.54 C HETATM 2832 C7 HTF A 172 -3.156 -10.158 -6.929 1.00 2.19 C HETATM 2833 C6 HTF A 172 -2.720 -9.067 -5.941 1.00 1.65 C HETATM 2834 C5 HTF A 172 -1.838 -7.990 -6.589 1.00 1.87 C HETATM 2835 C4 HTF A 172 -1.248 -7.007 -5.568 1.00 1.70 C HETATM 2836 C3 HTF A 172 -0.169 -7.637 -4.668 1.00 1.90 C HETATM 2837 C2 HTF A 172 0.536 -6.586 -3.795 1.00 1.95 C HETATM 2838 C1 HTF A 172 1.213 -5.494 -4.615 1.00 1.92 C HETATM 2839 O1 HTF A 172 0.815 -4.332 -4.528 1.00 2.94 O HETATM 2840 N HTF A 172 2.208 -5.853 -5.425 1.00 1.47 N HETATM 2841 CA HTF A 172 2.864 -4.950 -6.386 1.00 1.44 C HETATM 2842 C HTF A 172 2.426 -5.115 -7.843 1.00 1.86 C HETATM 2843 O HTF A 172 1.252 -5.222 -8.198 1.00 3.04 O HETATM 2844 OD HTF A 172 3.480 -5.189 -8.639 1.00 1.97 O HETATM 2845 CG HTF A 172 4.683 -4.956 -7.929 1.00 2.09 C HETATM 2846 CB HTF A 172 4.359 -5.250 -6.463 1.00 2.28 C HETATM 0 HN HTF A 172 2.537 -6.817 -5.376 1.00 1.47 H new HETATM 0 HG3 HTF A 172 5.483 -5.602 -8.291 1.00 2.09 H new HETATM 0 HG2 HTF A 172 5.021 -3.928 -8.057 1.00 2.09 H new HETATM 0 HB3 HTF A 172 4.935 -4.619 -5.786 1.00 2.28 H new HETATM 0 HB2 HTF A 172 4.579 -6.284 -6.199 1.00 2.28 H new HETATM 0 HA HTF A 172 2.597 -3.963 -6.009 1.00 1.44 H new HETATM 0 H83 HTF A 172 -4.976 -9.221 -7.603 1.00 1.54 H new HETATM 0 H82 HTF A 172 -3.553 -8.874 -8.614 1.00 1.54 H new HETATM 0 H81 HTF A 172 -4.341 -10.467 -8.703 1.00 1.54 H new HETATM 0 H73 HTF A 172 -3.671 -10.948 -6.382 1.00 2.19 H new HETATM 0 H72 HTF A 172 -2.269 -10.606 -7.377 1.00 2.19 H new HETATM 0 H63 HTF A 172 -3.605 -8.596 -5.514 1.00 1.65 H new HETATM 0 H62 HTF A 172 -2.175 -9.527 -5.117 1.00 1.65 H new HETATM 0 H53 HTF A 172 -1.026 -8.472 -7.133 1.00 1.87 H new HETATM 0 H52 HTF A 172 -2.427 -7.437 -7.320 1.00 1.87 H new HETATM 0 H43 HTF A 172 -0.818 -6.158 -6.099 1.00 1.70 H new HETATM 0 H42 HTF A 172 -2.051 -6.618 -4.942 1.00 1.70 H new HETATM 0 H33 HTF A 172 -0.626 -8.393 -4.029 1.00 1.90 H new HETATM 0 H32 HTF A 172 0.568 -8.147 -5.288 1.00 1.90 H new HETATM 0 H23 HTF A 172 -0.192 -6.131 -3.123 1.00 1.95 H new HETATM 0 H22 HTF A 172 1.281 -7.080 -3.171 1.00 1.95 H new