USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 LYS NZ :NH3+ -146:sc= 0.653 (180deg=-0.214) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0.639 USER MOD Set 2.1: A 32 CYS SG : rot -24:sc= -0.2 USER MOD Set 2.2: A 39 MET CE :methyl -176:sc= 0 (180deg=-0.0226) USER MOD Single : A 4 ASN : amide:sc= -1.12 K(o=-1.1,f=-7.3!) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= -0.0266 (180deg=-0.25) USER MOD Single : A 6 ASN : amide:sc= -1.22 K(o=-1.2,f=-1.9!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -0.169 (180deg=-0.269) USER MOD Single : A 13 MET CE :methyl 155:sc= -0.0573 (180deg=-0.218) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.82 K(o=-0.82,f=-1.9!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 19 CYS SG : rot 180:sc= 0.51 USER MOD Single : A 20 THR OG1 : rot 51:sc= 0.0214 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 89:sc= 1.65 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.403 K(o=-0.4,f=-3.5!) USER MOD Single : A 35 SER OG : rot 82:sc= 1.1 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -20:sc= -2.17! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= 1.13 (180deg=-0.193) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0121 F(o=-1.4,f=-0.012) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 170:sc=-0.00351 (180deg=-0.0941) USER MOD Single : A 66 THR OG1 : rot 35:sc= 0.0545 USER MOD Single : A 70 THR OG1 : rot -130:sc= 1.24 USER MOD Single : A 72 ASN : amide:sc= 0.0382 K(o=0.038,f=-1.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 21.705 24.678 27.659 1.00 0.00 N ATOM 47 CA ASN A 4 21.948 23.277 27.311 1.00 0.00 C ATOM 48 C ASN A 4 23.265 22.813 27.925 1.00 0.00 C ATOM 49 O ASN A 4 24.275 23.511 27.836 1.00 0.00 O ATOM 50 CB ASN A 4 21.989 23.102 25.792 1.00 0.00 C ATOM 51 CG ASN A 4 22.235 21.665 25.377 1.00 0.00 C ATOM 52 OD1 ASN A 4 22.331 20.772 26.219 1.00 0.00 O ATOM 53 ND2 ASN A 4 22.337 21.435 24.074 1.00 0.00 N ATOM 0 HA ASN A 4 21.133 22.671 27.708 1.00 0.00 H new ATOM 0 HB2 ASN A 4 21.046 23.443 25.365 1.00 0.00 H new ATOM 0 HB3 ASN A 4 22.774 23.735 25.378 1.00 0.00 H new ATOM 0 HD21 ASN A 4 22.502 20.487 23.735 1.00 0.00 H new ATOM 0 HD22 ASN A 4 22.251 22.206 23.412 1.00 0.00 H new ATOM 60 N LYS A 5 23.258 21.637 28.550 1.00 0.00 N ATOM 61 CA LYS A 5 24.469 21.129 29.197 1.00 0.00 C ATOM 62 C LYS A 5 25.640 20.723 28.317 1.00 0.00 C ATOM 63 O LYS A 5 26.794 20.955 28.679 1.00 0.00 O ATOM 64 CB LYS A 5 24.102 19.943 30.094 1.00 0.00 C ATOM 65 CG LYS A 5 23.216 20.309 31.273 1.00 0.00 C ATOM 66 CD LYS A 5 22.923 19.099 32.144 1.00 0.00 C ATOM 67 CE LYS A 5 22.209 18.011 31.358 1.00 0.00 C ATOM 68 NZ LYS A 5 20.930 18.496 30.770 1.00 0.00 N1+ ATOM 0 H LYS A 5 22.444 21.027 28.623 1.00 0.00 H new ATOM 0 HA LYS A 5 24.840 21.998 29.741 1.00 0.00 H new ATOM 0 HB2 LYS A 5 23.595 19.189 29.492 1.00 0.00 H new ATOM 0 HB3 LYS A 5 25.018 19.488 30.469 1.00 0.00 H new ATOM 0 HG2 LYS A 5 23.703 21.080 31.870 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.280 20.732 30.909 1.00 0.00 H new ATOM 0 HD2 LYS A 5 23.855 18.706 32.549 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.309 19.400 32.993 1.00 0.00 H new ATOM 0 HE2 LYS A 5 22.861 17.652 30.562 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.008 17.163 32.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.387 17.688 30.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.375 18.984 31.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 21.134 19.156 29.992 1.00 0.00 H new ATOM 82 N ASN A 6 25.365 20.124 27.175 1.00 0.00 N ATOM 83 CA ASN A 6 26.442 19.641 26.308 1.00 0.00 C ATOM 84 C ASN A 6 27.412 20.679 25.732 1.00 0.00 C ATOM 85 O ASN A 6 28.624 20.472 25.792 1.00 0.00 O ATOM 86 CB ASN A 6 25.835 18.840 25.151 1.00 0.00 C ATOM 87 CG ASN A 6 26.889 18.225 24.251 1.00 0.00 C ATOM 88 OD1 ASN A 6 28.086 18.327 24.516 1.00 0.00 O ATOM 89 ND2 ASN A 6 26.446 17.581 23.178 1.00 0.00 N ATOM 0 H ASN A 6 24.422 19.958 26.822 1.00 0.00 H new ATOM 0 HA ASN A 6 27.060 19.041 26.976 1.00 0.00 H new ATOM 0 HB2 ASN A 6 25.201 18.050 25.554 1.00 0.00 H new ATOM 0 HB3 ASN A 6 25.193 19.493 24.559 1.00 0.00 H new ATOM 0 HD21 ASN A 6 27.108 17.146 22.535 1.00 0.00 H new ATOM 0 HD22 ASN A 6 25.444 17.521 22.997 1.00 0.00 H new ATOM 96 N GLU A 7 26.917 21.785 25.185 1.00 0.00 N ATOM 97 CA GLU A 7 27.861 22.785 24.655 1.00 0.00 C ATOM 98 C GLU A 7 28.231 23.836 25.702 1.00 0.00 C ATOM 99 O GLU A 7 29.411 24.125 25.902 1.00 0.00 O ATOM 100 CB GLU A 7 27.310 23.429 23.366 1.00 0.00 C ATOM 101 CG GLU A 7 27.300 22.359 22.266 1.00 0.00 C ATOM 102 CD GLU A 7 26.810 22.806 20.884 1.00 0.00 C ATOM 103 OE1 GLU A 7 26.331 21.945 20.110 1.00 0.00 O ATOM 104 OE2 GLU A 7 26.970 23.991 20.521 1.00 0.00 O ATOM 0 H GLU A 7 25.927 22.013 25.095 1.00 0.00 H new ATOM 0 HA GLU A 7 28.784 22.264 24.400 1.00 0.00 H new ATOM 0 HB2 GLU A 7 26.304 23.813 23.532 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.929 24.275 23.068 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.312 21.969 22.160 1.00 0.00 H new ATOM 0 HG3 GLU A 7 26.673 21.532 22.600 1.00 0.00 H new ATOM 111 N TYR A 8 27.251 24.350 26.453 1.00 0.00 N ATOM 112 CA TYR A 8 27.479 25.295 27.553 1.00 0.00 C ATOM 113 C TYR A 8 28.330 24.695 28.679 1.00 0.00 C ATOM 114 O TYR A 8 28.814 25.449 29.510 1.00 0.00 O ATOM 115 CB TYR A 8 26.143 25.876 28.057 1.00 0.00 C ATOM 116 CG TYR A 8 26.236 27.314 28.549 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.586 27.600 29.882 1.00 0.00 C ATOM 118 CD2 TYR A 8 25.979 28.375 27.658 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.703 28.931 30.325 1.00 0.00 C ATOM 120 CE2 TYR A 8 26.086 29.710 28.096 1.00 0.00 C ATOM 121 CZ TYR A 8 26.460 29.991 29.425 1.00 0.00 C ATOM 122 OH TYR A 8 26.609 31.279 29.825 1.00 0.00 O ATOM 0 H TYR A 8 26.267 24.120 26.313 1.00 0.00 H new ATOM 0 HA TYR A 8 28.067 26.124 27.160 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.410 25.826 27.251 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.769 25.250 28.867 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.767 26.789 30.572 1.00 0.00 H new ATOM 0 HD2 TYR A 8 25.699 28.164 26.636 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.977 29.140 31.348 1.00 0.00 H new ATOM 0 HE2 TYR A 8 25.881 30.520 27.411 1.00 0.00 H new ATOM 0 HH TYR A 8 26.402 31.879 29.079 1.00 0.00 H new ATOM 132 N LYS A 9 28.605 23.378 28.675 1.00 0.00 N ATOM 133 CA LYS A 9 29.479 22.692 29.644 1.00 0.00 C ATOM 134 C LYS A 9 30.790 23.448 29.904 1.00 0.00 C ATOM 135 O LYS A 9 31.165 23.635 31.055 1.00 0.00 O ATOM 136 CB LYS A 9 29.781 21.273 29.129 1.00 0.00 C ATOM 137 CG LYS A 9 30.940 20.601 29.884 1.00 0.00 C ATOM 138 CD LYS A 9 31.134 19.117 29.515 1.00 0.00 C ATOM 139 CE LYS A 9 31.497 18.277 30.750 1.00 0.00 C ATOM 140 NZ LYS A 9 31.693 16.843 30.437 1.00 0.00 N1+ ATOM 0 H LYS A 9 28.214 22.744 27.978 1.00 0.00 H new ATOM 0 HA LYS A 9 28.950 22.650 30.596 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.886 20.658 29.224 1.00 0.00 H new ATOM 0 HB3 LYS A 9 30.023 21.320 28.067 1.00 0.00 H new ATOM 0 HG2 LYS A 9 31.862 21.143 29.675 1.00 0.00 H new ATOM 0 HG3 LYS A 9 30.760 20.680 30.956 1.00 0.00 H new ATOM 0 HD2 LYS A 9 30.220 18.730 29.065 1.00 0.00 H new ATOM 0 HD3 LYS A 9 31.921 19.026 28.767 1.00 0.00 H new ATOM 0 HE2 LYS A 9 32.409 18.674 31.197 1.00 0.00 H new ATOM 0 HE3 LYS A 9 30.707 18.376 31.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 31.750 16.299 31.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 30.892 16.499 29.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 32.575 16.722 29.899 1.00 0.00 H new ATOM 154 N ILE A 10 31.429 23.966 28.848 1.00 0.00 N ATOM 155 CA ILE A 10 32.641 24.803 28.928 1.00 0.00 C ATOM 156 C ILE A 10 32.395 26.032 29.814 1.00 0.00 C ATOM 157 O ILE A 10 33.129 26.289 30.765 1.00 0.00 O ATOM 158 CB ILE A 10 33.078 25.260 27.512 1.00 0.00 C ATOM 159 CG1 ILE A 10 33.521 24.097 26.598 1.00 0.00 C ATOM 160 CG2 ILE A 10 34.242 26.265 27.605 1.00 0.00 C ATOM 161 CD1 ILE A 10 32.481 23.606 25.585 1.00 0.00 C ATOM 0 H ILE A 10 31.113 23.814 27.890 1.00 0.00 H new ATOM 0 HA ILE A 10 33.436 24.203 29.371 1.00 0.00 H new ATOM 0 HB ILE A 10 32.194 25.719 27.069 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.412 24.409 26.052 1.00 0.00 H new ATOM 0 HG13 ILE A 10 33.811 23.256 27.228 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.536 26.575 26.602 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.925 27.137 28.176 1.00 0.00 H new ATOM 0 HG23 ILE A 10 35.090 25.794 28.102 1.00 0.00 H new ATOM 0 HD11 ILE A 10 32.902 22.789 24.999 1.00 0.00 H new ATOM 0 HD12 ILE A 10 31.595 23.254 26.114 1.00 0.00 H new ATOM 0 HD13 ILE A 10 32.205 24.425 24.921 1.00 0.00 H new ATOM 173 N LEU A 11 31.339 26.780 29.493 1.00 0.00 N ATOM 174 CA LEU A 11 30.914 27.982 30.203 1.00 0.00 C ATOM 175 C LEU A 11 30.331 27.683 31.607 1.00 0.00 C ATOM 176 O LEU A 11 30.150 28.608 32.394 1.00 0.00 O ATOM 177 CB LEU A 11 29.954 28.783 29.293 1.00 0.00 C ATOM 178 CG LEU A 11 30.565 29.355 27.994 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.491 30.076 27.181 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.698 30.349 28.262 1.00 0.00 C ATOM 0 H LEU A 11 30.735 26.555 28.702 1.00 0.00 H new ATOM 0 HA LEU A 11 31.788 28.599 30.412 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.119 28.137 29.023 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.543 29.610 29.872 1.00 0.00 H new ATOM 0 HG LEU A 11 30.971 28.504 27.446 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.933 30.475 26.268 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.697 29.375 26.924 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.076 30.893 27.771 1.00 0.00 H new ATOM 0 HD21 LEU A 11 32.090 30.718 27.314 1.00 0.00 H new ATOM 0 HD22 LEU A 11 31.317 31.185 28.848 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.495 29.852 28.815 1.00 0.00 H new ATOM 192 N ILE A 12 30.102 26.408 31.955 1.00 0.00 N ATOM 193 CA ILE A 12 29.826 25.953 33.331 1.00 0.00 C ATOM 194 C ILE A 12 31.124 25.695 34.114 1.00 0.00 C ATOM 195 O ILE A 12 31.195 26.052 35.286 1.00 0.00 O ATOM 196 CB ILE A 12 28.902 24.711 33.367 1.00 0.00 C ATOM 197 CG1 ILE A 12 27.550 24.937 32.655 1.00 0.00 C ATOM 198 CG2 ILE A 12 28.647 24.245 34.815 1.00 0.00 C ATOM 199 CD1 ILE A 12 26.666 26.054 33.231 1.00 0.00 C ATOM 0 H ILE A 12 30.103 25.647 31.276 1.00 0.00 H new ATOM 0 HA ILE A 12 29.292 26.766 33.823 1.00 0.00 H new ATOM 0 HB ILE A 12 29.436 23.934 32.820 1.00 0.00 H new ATOM 0 HG12 ILE A 12 27.747 25.160 31.606 1.00 0.00 H new ATOM 0 HG13 ILE A 12 26.987 24.004 32.682 1.00 0.00 H new ATOM 0 HG21 ILE A 12 27.995 23.372 34.807 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.595 23.986 35.286 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.170 25.048 35.377 1.00 0.00 H new ATOM 0 HD11 ILE A 12 25.744 26.123 32.654 1.00 0.00 H new ATOM 0 HD12 ILE A 12 26.427 25.829 34.271 1.00 0.00 H new ATOM 0 HD13 ILE A 12 27.199 27.003 33.178 1.00 0.00 H new ATOM 211 N MET A 13 32.173 25.134 33.499 1.00 0.00 N ATOM 212 CA MET A 13 33.434 24.842 34.203 1.00 0.00 C ATOM 213 C MET A 13 33.966 26.117 34.871 1.00 0.00 C ATOM 214 O MET A 13 34.084 26.186 36.093 1.00 0.00 O ATOM 215 CB MET A 13 34.465 24.205 33.257 1.00 0.00 C ATOM 216 CG MET A 13 34.081 22.836 32.688 1.00 0.00 C ATOM 217 SD MET A 13 33.765 21.505 33.883 1.00 0.00 S ATOM 218 CE MET A 13 31.968 21.635 34.106 1.00 0.00 C ATOM 0 H MET A 13 32.176 24.872 32.513 1.00 0.00 H new ATOM 0 HA MET A 13 33.242 24.109 34.987 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.640 24.888 32.426 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.409 24.105 33.792 1.00 0.00 H new ATOM 0 HG2 MET A 13 33.187 22.962 32.077 1.00 0.00 H new ATOM 0 HG3 MET A 13 34.880 22.510 32.021 1.00 0.00 H new ATOM 0 HE1 MET A 13 31.570 20.672 34.426 1.00 0.00 H new ATOM 0 HE2 MET A 13 31.749 22.387 34.864 1.00 0.00 H new ATOM 0 HE3 MET A 13 31.504 21.924 33.163 1.00 0.00 H new ATOM 228 N LEU A 14 34.221 27.171 34.089 1.00 0.00 N ATOM 229 CA LEU A 14 34.680 28.457 34.631 1.00 0.00 C ATOM 230 C LEU A 14 33.717 29.171 35.592 1.00 0.00 C ATOM 231 O LEU A 14 34.183 29.928 36.435 1.00 0.00 O ATOM 232 CB LEU A 14 35.183 29.412 33.534 1.00 0.00 C ATOM 233 CG LEU A 14 34.381 29.561 32.228 1.00 0.00 C ATOM 234 CD1 LEU A 14 33.250 30.571 32.420 1.00 0.00 C ATOM 235 CD2 LEU A 14 35.301 30.028 31.107 1.00 0.00 C ATOM 0 H LEU A 14 34.117 27.160 33.074 1.00 0.00 H new ATOM 0 HA LEU A 14 35.523 28.168 35.259 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.268 30.403 33.979 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.191 29.096 33.264 1.00 0.00 H new ATOM 0 HG LEU A 14 33.954 28.594 31.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.689 30.670 31.491 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.585 30.226 33.211 1.00 0.00 H new ATOM 0 HD13 LEU A 14 33.669 31.539 32.695 1.00 0.00 H new ATOM 0 HD21 LEU A 14 34.728 30.132 30.186 1.00 0.00 H new ATOM 0 HD22 LEU A 14 35.738 30.990 31.372 1.00 0.00 H new ATOM 0 HD23 LEU A 14 36.096 29.296 30.960 1.00 0.00 H new ATOM 247 N LYS A 15 32.409 28.911 35.511 1.00 0.00 N ATOM 248 CA LYS A 15 31.396 29.441 36.449 1.00 0.00 C ATOM 249 C LYS A 15 31.696 29.080 37.907 1.00 0.00 C ATOM 250 O LYS A 15 31.479 29.913 38.782 1.00 0.00 O ATOM 251 CB LYS A 15 29.994 28.965 36.006 1.00 0.00 C ATOM 252 CG LYS A 15 28.801 29.585 36.756 1.00 0.00 C ATOM 253 CD LYS A 15 28.333 28.733 37.934 1.00 0.00 C ATOM 254 CE LYS A 15 27.052 29.299 38.562 1.00 0.00 C ATOM 255 NZ LYS A 15 26.539 28.399 39.619 1.00 0.00 N1+ ATOM 0 H LYS A 15 32.011 28.318 34.783 1.00 0.00 H new ATOM 0 HA LYS A 15 31.428 30.530 36.412 1.00 0.00 H new ATOM 0 HB2 LYS A 15 29.879 29.178 34.943 1.00 0.00 H new ATOM 0 HB3 LYS A 15 29.947 27.882 36.121 1.00 0.00 H new ATOM 0 HG2 LYS A 15 29.080 30.575 37.118 1.00 0.00 H new ATOM 0 HG3 LYS A 15 27.973 29.722 36.061 1.00 0.00 H new ATOM 0 HD2 LYS A 15 28.154 27.712 37.598 1.00 0.00 H new ATOM 0 HD3 LYS A 15 29.120 28.688 38.687 1.00 0.00 H new ATOM 0 HE2 LYS A 15 27.253 30.284 38.984 1.00 0.00 H new ATOM 0 HE3 LYS A 15 26.292 29.431 37.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 25.673 28.803 40.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 26.326 27.467 39.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 27.257 28.293 40.364 1.00 0.00 H new ATOM 269 N GLU A 16 32.043 27.818 38.146 1.00 0.00 N ATOM 270 CA GLU A 16 32.427 27.357 39.475 1.00 0.00 C ATOM 271 C GLU A 16 33.954 27.264 39.636 1.00 0.00 C ATOM 272 O GLU A 16 34.452 27.100 40.750 1.00 0.00 O ATOM 273 CB GLU A 16 31.775 26.006 39.780 1.00 0.00 C ATOM 274 CG GLU A 16 32.207 24.877 38.857 1.00 0.00 C ATOM 275 CD GLU A 16 31.451 23.589 39.114 1.00 0.00 C ATOM 276 OE1 GLU A 16 30.850 23.458 40.201 1.00 0.00 O ATOM 277 OE2 GLU A 16 31.459 22.706 38.231 1.00 0.00 O ATOM 0 H GLU A 16 32.066 27.092 37.430 1.00 0.00 H new ATOM 0 HA GLU A 16 32.069 28.096 40.192 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.008 25.728 40.808 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.692 26.116 39.717 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.056 25.182 37.822 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.275 24.698 38.984 1.00 0.00 H new ATOM 284 N ASN A 17 34.691 27.368 38.529 1.00 0.00 N ATOM 285 CA ASN A 17 36.153 27.301 38.556 1.00 0.00 C ATOM 286 C ASN A 17 36.838 28.666 38.710 1.00 0.00 C ATOM 287 O ASN A 17 38.068 28.723 38.762 1.00 0.00 O ATOM 288 CB ASN A 17 36.669 26.617 37.288 1.00 0.00 C ATOM 289 CG ASN A 17 36.666 25.105 37.397 1.00 0.00 C ATOM 290 OD1 ASN A 17 36.692 24.550 38.496 1.00 0.00 O ATOM 291 ND2 ASN A 17 36.634 24.430 36.255 1.00 0.00 N ATOM 0 H ASN A 17 34.297 27.500 37.598 1.00 0.00 H new ATOM 0 HA ASN A 17 36.409 26.721 39.443 1.00 0.00 H new ATOM 0 HB2 ASN A 17 36.052 26.917 36.441 1.00 0.00 H new ATOM 0 HB3 ASN A 17 37.683 26.960 37.082 1.00 0.00 H new ATOM 0 HD21 ASN A 17 36.630 23.410 36.265 1.00 0.00 H new ATOM 0 HD22 ASN A 17 36.613 24.931 35.367 1.00 0.00 H new ATOM 298 N GLN A 18 36.039 29.738 38.705 1.00 0.00 N ATOM 299 CA GLN A 18 36.472 31.135 38.868 1.00 0.00 C ATOM 300 C GLN A 18 37.342 31.673 37.724 1.00 0.00 C ATOM 301 O GLN A 18 38.031 32.680 37.891 1.00 0.00 O ATOM 302 CB GLN A 18 37.113 31.401 40.248 1.00 0.00 C ATOM 303 CG GLN A 18 38.622 31.213 40.315 1.00 0.00 C ATOM 304 CD GLN A 18 39.185 31.490 41.695 1.00 0.00 C ATOM 305 OE1 GLN A 18 38.461 31.466 42.690 1.00 0.00 O ATOM 306 NE2 GLN A 18 40.485 31.754 41.761 1.00 0.00 N ATOM 0 H GLN A 18 35.030 29.655 38.582 1.00 0.00 H new ATOM 0 HA GLN A 18 35.547 31.709 38.818 1.00 0.00 H new ATOM 0 HB2 GLN A 18 36.878 32.422 40.548 1.00 0.00 H new ATOM 0 HB3 GLN A 18 36.649 30.739 40.979 1.00 0.00 H new ATOM 0 HG2 GLN A 18 38.870 30.192 40.024 1.00 0.00 H new ATOM 0 HG3 GLN A 18 39.099 31.875 39.593 1.00 0.00 H new ATOM 0 HE21 GLN A 18 41.047 31.763 40.910 1.00 0.00 H new ATOM 0 HE22 GLN A 18 40.921 31.947 42.663 1.00 0.00 H new ATOM 315 N CYS A 19 37.300 31.027 36.561 1.00 0.00 N ATOM 316 CA CYS A 19 38.076 31.550 35.424 1.00 0.00 C ATOM 317 C CYS A 19 37.242 32.550 34.595 1.00 0.00 C ATOM 318 O CYS A 19 36.958 32.337 33.418 1.00 0.00 O ATOM 319 CB CYS A 19 38.727 30.413 34.619 1.00 0.00 C ATOM 320 SG CYS A 19 39.995 29.595 35.627 1.00 0.00 S ATOM 0 H CYS A 19 36.765 30.178 36.377 1.00 0.00 H new ATOM 0 HA CYS A 19 38.916 32.133 35.800 1.00 0.00 H new ATOM 0 HB2 CYS A 19 37.970 29.691 34.314 1.00 0.00 H new ATOM 0 HB3 CYS A 19 39.174 30.810 33.708 1.00 0.00 H new ATOM 0 HG CYS A 19 40.536 28.630 34.945 1.00 0.00 H new ATOM 326 N THR A 20 36.802 33.629 35.249 1.00 0.00 N ATOM 327 CA THR A 20 35.760 34.559 34.773 1.00 0.00 C ATOM 328 C THR A 20 36.196 36.020 34.871 1.00 0.00 C ATOM 329 O THR A 20 35.751 36.761 35.753 1.00 0.00 O ATOM 330 CB THR A 20 34.439 34.318 35.533 1.00 0.00 C ATOM 331 OG1 THR A 20 34.659 34.263 36.926 1.00 0.00 O ATOM 332 CG2 THR A 20 33.759 33.021 35.110 1.00 0.00 C ATOM 0 H THR A 20 37.173 33.894 36.161 1.00 0.00 H new ATOM 0 HA THR A 20 35.597 34.355 33.715 1.00 0.00 H new ATOM 0 HB THR A 20 33.791 35.158 35.285 1.00 0.00 H new ATOM 0 HG1 THR A 20 35.175 35.047 37.207 1.00 0.00 H new ATOM 0 HG21 THR A 20 32.834 32.895 35.672 1.00 0.00 H new ATOM 0 HG22 THR A 20 33.534 33.059 34.044 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.423 32.180 35.311 1.00 0.00 H new ATOM 340 N THR A 21 37.105 36.424 33.977 1.00 0.00 N ATOM 341 CA THR A 21 37.616 37.799 33.859 1.00 0.00 C ATOM 342 C THR A 21 38.450 38.013 32.601 1.00 0.00 C ATOM 343 O THR A 21 39.138 37.115 32.116 1.00 0.00 O ATOM 344 CB THR A 21 38.439 38.193 35.107 1.00 0.00 C ATOM 345 OG1 THR A 21 38.763 39.563 35.106 1.00 0.00 O ATOM 346 CG2 THR A 21 39.764 37.435 35.214 1.00 0.00 C ATOM 0 H THR A 21 37.519 35.788 33.295 1.00 0.00 H new ATOM 0 HA THR A 21 36.740 38.444 33.785 1.00 0.00 H new ATOM 0 HB THR A 21 37.796 37.939 35.949 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.281 39.777 35.910 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.295 37.756 36.110 1.00 0.00 H new ATOM 0 HG22 THR A 21 39.567 36.365 35.272 1.00 0.00 H new ATOM 0 HG23 THR A 21 40.375 37.644 34.336 1.00 0.00 H new ATOM 354 N GLU A 22 38.387 39.239 32.091 1.00 0.00 N ATOM 355 CA GLU A 22 39.078 39.638 30.865 1.00 0.00 C ATOM 356 C GLU A 22 40.598 39.530 30.948 1.00 0.00 C ATOM 357 O GLU A 22 41.252 39.153 29.976 1.00 0.00 O ATOM 358 CB GLU A 22 38.695 41.073 30.497 1.00 0.00 C ATOM 359 CG GLU A 22 37.203 41.282 30.293 1.00 0.00 C ATOM 360 CD GLU A 22 36.859 42.716 29.944 1.00 0.00 C ATOM 361 OE1 GLU A 22 35.659 43.015 29.768 1.00 0.00 O ATOM 362 OE2 GLU A 22 37.788 43.545 29.848 1.00 0.00 O ATOM 0 H GLU A 22 37.850 39.993 32.520 1.00 0.00 H new ATOM 0 HA GLU A 22 38.755 38.937 30.096 1.00 0.00 H new ATOM 0 HB2 GLU A 22 39.041 41.744 31.284 1.00 0.00 H new ATOM 0 HB3 GLU A 22 39.219 41.355 29.584 1.00 0.00 H new ATOM 0 HG2 GLU A 22 36.853 40.624 29.498 1.00 0.00 H new ATOM 0 HG3 GLU A 22 36.672 40.995 31.201 1.00 0.00 H new ATOM 369 N LEU A 23 41.157 39.861 32.106 1.00 0.00 N ATOM 370 CA LEU A 23 42.603 39.827 32.292 1.00 0.00 C ATOM 371 C LEU A 23 43.178 38.427 32.087 1.00 0.00 C ATOM 372 O LEU A 23 44.258 38.276 31.516 1.00 0.00 O ATOM 373 CB LEU A 23 42.973 40.340 33.686 1.00 0.00 C ATOM 374 CG LEU A 23 42.874 41.856 33.875 1.00 0.00 C ATOM 375 CD1 LEU A 23 41.486 42.357 33.505 1.00 0.00 C ATOM 376 CD2 LEU A 23 43.226 42.243 35.303 1.00 0.00 C ATOM 0 H LEU A 23 40.632 40.156 32.929 1.00 0.00 H new ATOM 0 HA LEU A 23 43.039 40.479 31.535 1.00 0.00 H new ATOM 0 HB2 LEU A 23 42.324 39.857 34.417 1.00 0.00 H new ATOM 0 HB3 LEU A 23 43.993 40.029 33.910 1.00 0.00 H new ATOM 0 HG LEU A 23 43.593 42.330 33.207 1.00 0.00 H new ATOM 0 HD11 LEU A 23 41.439 43.437 33.647 1.00 0.00 H new ATOM 0 HD12 LEU A 23 41.279 42.119 32.462 1.00 0.00 H new ATOM 0 HD13 LEU A 23 40.744 41.875 34.141 1.00 0.00 H new ATOM 0 HD21 LEU A 23 43.150 43.324 35.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 42.536 41.756 35.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 44.245 41.926 35.525 1.00 0.00 H new ATOM 388 N LYS A 24 42.463 37.407 32.549 1.00 0.00 N ATOM 389 CA LYS A 24 42.932 36.035 32.408 1.00 0.00 C ATOM 390 C LYS A 24 42.298 35.350 31.185 1.00 0.00 C ATOM 391 O LYS A 24 41.077 35.380 31.027 1.00 0.00 O ATOM 392 CB LYS A 24 42.597 35.237 33.669 1.00 0.00 C ATOM 393 CG LYS A 24 43.374 35.669 34.902 1.00 0.00 C ATOM 394 CD LYS A 24 43.163 34.706 36.058 1.00 0.00 C ATOM 395 CE LYS A 24 41.736 34.767 36.578 1.00 0.00 C ATOM 396 NZ LYS A 24 41.545 33.917 37.785 1.00 0.00 N1+ ATOM 0 H LYS A 24 41.564 37.503 33.021 1.00 0.00 H new ATOM 0 HA LYS A 24 44.012 36.064 32.265 1.00 0.00 H new ATOM 0 HB2 LYS A 24 41.531 35.332 33.873 1.00 0.00 H new ATOM 0 HB3 LYS A 24 42.793 34.181 33.481 1.00 0.00 H new ATOM 0 HG2 LYS A 24 44.436 35.725 34.663 1.00 0.00 H new ATOM 0 HG3 LYS A 24 43.061 36.670 35.199 1.00 0.00 H new ATOM 0 HD2 LYS A 24 43.390 33.691 35.734 1.00 0.00 H new ATOM 0 HD3 LYS A 24 43.856 34.946 36.864 1.00 0.00 H new ATOM 0 HE2 LYS A 24 41.481 35.799 36.818 1.00 0.00 H new ATOM 0 HE3 LYS A 24 41.051 34.443 35.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.559 33.988 38.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 41.763 32.927 37.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 42.180 34.241 38.542 1.00 0.00 H new ATOM 410 N SER A 25 43.113 34.735 30.325 1.00 0.00 N ATOM 411 CA SER A 25 42.610 34.042 29.143 1.00 0.00 C ATOM 412 C SER A 25 42.877 32.555 29.333 1.00 0.00 C ATOM 413 O SER A 25 43.994 32.160 29.666 1.00 0.00 O ATOM 414 CB SER A 25 43.305 34.550 27.880 1.00 0.00 C ATOM 415 OG SER A 25 43.075 35.936 27.695 1.00 0.00 O ATOM 0 H SER A 25 44.127 34.704 30.428 1.00 0.00 H new ATOM 0 HA SER A 25 41.542 34.228 29.024 1.00 0.00 H new ATOM 0 HB2 SER A 25 44.376 34.362 27.950 1.00 0.00 H new ATOM 0 HB3 SER A 25 42.940 33.999 27.013 1.00 0.00 H new ATOM 0 HG SER A 25 43.531 36.238 26.882 1.00 0.00 H new ATOM 421 N PHE A 26 41.860 31.725 29.120 1.00 0.00 N ATOM 422 CA PHE A 26 42.002 30.275 29.275 1.00 0.00 C ATOM 423 C PHE A 26 42.528 29.555 28.027 1.00 0.00 C ATOM 424 O PHE A 26 42.190 29.918 26.901 1.00 0.00 O ATOM 425 CB PHE A 26 40.662 29.659 29.685 1.00 0.00 C ATOM 426 CG PHE A 26 40.748 28.775 30.896 1.00 0.00 C ATOM 427 CD1 PHE A 26 41.964 28.546 31.518 1.00 0.00 C ATOM 428 CD2 PHE A 26 39.613 28.169 31.410 1.00 0.00 C ATOM 429 CE1 PHE A 26 42.047 27.732 32.632 1.00 0.00 C ATOM 430 CE2 PHE A 26 39.689 27.354 32.523 1.00 0.00 C ATOM 431 CZ PHE A 26 40.908 27.135 33.135 1.00 0.00 C ATOM 0 H PHE A 26 40.927 32.029 28.840 1.00 0.00 H new ATOM 0 HA PHE A 26 42.753 30.134 30.052 1.00 0.00 H new ATOM 0 HB2 PHE A 26 39.949 30.460 29.881 1.00 0.00 H new ATOM 0 HB3 PHE A 26 40.268 29.079 28.850 1.00 0.00 H new ATOM 0 HD1 PHE A 26 42.858 29.009 31.128 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.658 28.336 30.935 1.00 0.00 H new ATOM 0 HE1 PHE A 26 43.001 27.563 33.108 1.00 0.00 H new ATOM 0 HE2 PHE A 26 38.796 26.889 32.914 1.00 0.00 H new ATOM 0 HZ PHE A 26 40.970 26.498 34.005 1.00 0.00 H new ATOM 441 N THR A 27 43.357 28.533 28.241 1.00 0.00 N ATOM 442 CA THR A 27 43.899 27.732 27.127 1.00 0.00 C ATOM 443 C THR A 27 43.080 26.465 26.853 1.00 0.00 C ATOM 444 O THR A 27 42.505 25.850 27.756 1.00 0.00 O ATOM 445 CB THR A 27 45.375 27.360 27.345 1.00 0.00 C ATOM 446 OG1 THR A 27 45.527 26.512 28.459 1.00 0.00 O ATOM 447 CG2 THR A 27 46.261 28.585 27.550 1.00 0.00 C ATOM 0 H THR A 27 43.670 28.237 29.165 1.00 0.00 H new ATOM 0 HA THR A 27 43.828 28.374 26.249 1.00 0.00 H new ATOM 0 HB THR A 27 45.689 26.847 26.436 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.474 26.290 28.574 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.293 28.267 27.699 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.203 29.227 26.671 1.00 0.00 H new ATOM 0 HG23 THR A 27 45.921 29.137 28.426 1.00 0.00 H new ATOM 455 N TYR A 28 43.063 26.030 25.586 1.00 0.00 N ATOM 456 CA TYR A 28 42.324 24.840 25.151 1.00 0.00 C ATOM 457 C TYR A 28 42.746 23.554 25.878 1.00 0.00 C ATOM 458 O TYR A 28 41.891 22.741 26.210 1.00 0.00 O ATOM 459 CB TYR A 28 42.502 24.638 23.637 1.00 0.00 C ATOM 460 CG TYR A 28 41.885 25.695 22.739 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.520 26.020 22.880 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.637 26.278 21.697 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.908 26.906 21.977 1.00 0.00 C ATOM 464 CE2 TYR A 28 42.019 27.154 20.781 1.00 0.00 C ATOM 465 CZ TYR A 28 40.648 27.458 20.911 1.00 0.00 C ATOM 466 OH TYR A 28 40.024 28.236 19.988 1.00 0.00 O ATOM 0 H TYR A 28 43.565 26.497 24.831 1.00 0.00 H new ATOM 0 HA TYR A 28 41.279 25.024 25.402 1.00 0.00 H new ATOM 0 HB2 TYR A 28 43.569 24.587 23.422 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.077 23.671 23.369 1.00 0.00 H new ATOM 0 HD1 TYR A 28 39.943 25.587 23.684 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.689 26.053 21.601 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.867 27.165 22.100 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.596 27.592 19.980 1.00 0.00 H new ATOM 0 HH TYR A 28 40.034 29.169 20.286 1.00 0.00 H new ATOM 476 N THR A 29 44.041 23.355 26.138 1.00 0.00 N ATOM 477 CA THR A 29 44.558 22.126 26.765 1.00 0.00 C ATOM 478 C THR A 29 44.267 22.054 28.265 1.00 0.00 C ATOM 479 O THR A 29 43.957 20.971 28.766 1.00 0.00 O ATOM 480 CB THR A 29 46.060 21.971 26.505 1.00 0.00 C ATOM 481 OG1 THR A 29 46.754 23.113 26.945 1.00 0.00 O ATOM 482 CG2 THR A 29 46.353 21.784 25.014 1.00 0.00 C ATOM 0 H THR A 29 44.765 24.040 25.921 1.00 0.00 H new ATOM 0 HA THR A 29 44.027 21.296 26.299 1.00 0.00 H new ATOM 0 HB THR A 29 46.390 21.089 27.053 1.00 0.00 H new ATOM 0 HG1 THR A 29 47.712 22.999 26.774 1.00 0.00 H new ATOM 0 HG21 THR A 29 47.427 21.677 24.865 1.00 0.00 H new ATOM 0 HG22 THR A 29 45.846 20.889 24.653 1.00 0.00 H new ATOM 0 HG23 THR A 29 45.995 22.652 24.461 1.00 0.00 H new ATOM 490 N LYS A 30 44.254 23.188 28.983 1.00 0.00 N ATOM 491 CA LYS A 30 43.768 23.250 30.374 1.00 0.00 C ATOM 492 C LYS A 30 42.269 22.948 30.450 1.00 0.00 C ATOM 493 O LYS A 30 41.847 22.118 31.255 1.00 0.00 O ATOM 494 CB LYS A 30 44.116 24.624 30.976 1.00 0.00 C ATOM 495 CG LYS A 30 43.677 24.805 32.440 1.00 0.00 C ATOM 496 CD LYS A 30 44.378 23.865 33.431 1.00 0.00 C ATOM 497 CE LYS A 30 43.849 24.121 34.846 1.00 0.00 C ATOM 498 NZ LYS A 30 44.815 23.696 35.883 1.00 0.00 N1+ ATOM 0 H LYS A 30 44.578 24.084 28.620 1.00 0.00 H new ATOM 0 HA LYS A 30 44.266 22.482 30.965 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.194 24.773 30.911 1.00 0.00 H new ATOM 0 HB3 LYS A 30 43.650 25.401 30.371 1.00 0.00 H new ATOM 0 HG2 LYS A 30 43.867 25.836 32.739 1.00 0.00 H new ATOM 0 HG3 LYS A 30 42.601 24.647 32.506 1.00 0.00 H new ATOM 0 HD2 LYS A 30 44.203 22.827 33.149 1.00 0.00 H new ATOM 0 HD3 LYS A 30 45.456 24.026 33.400 1.00 0.00 H new ATOM 0 HE2 LYS A 30 43.632 25.182 34.966 1.00 0.00 H new ATOM 0 HE3 LYS A 30 42.909 23.586 34.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 44.419 23.886 36.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 45.003 22.678 35.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 45.703 24.225 35.768 1.00 0.00 H new ATOM 512 N LEU A 31 41.475 23.556 29.559 1.00 0.00 N ATOM 513 CA LEU A 31 40.045 23.261 29.429 1.00 0.00 C ATOM 514 C LEU A 31 39.774 21.787 29.062 1.00 0.00 C ATOM 515 O LEU A 31 38.811 21.220 29.573 1.00 0.00 O ATOM 516 CB LEU A 31 39.410 24.199 28.387 1.00 0.00 C ATOM 517 CG LEU A 31 39.025 25.600 28.902 1.00 0.00 C ATOM 518 CD1 LEU A 31 38.785 26.537 27.715 1.00 0.00 C ATOM 519 CD2 LEU A 31 37.726 25.524 29.711 1.00 0.00 C ATOM 0 H LEU A 31 41.808 24.267 28.908 1.00 0.00 H new ATOM 0 HA LEU A 31 39.588 23.432 30.404 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.106 24.315 27.556 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.516 23.719 27.989 1.00 0.00 H new ATOM 0 HG LEU A 31 39.837 25.973 29.527 1.00 0.00 H new ATOM 0 HD11 LEU A 31 38.513 27.527 28.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 39.694 26.609 27.118 1.00 0.00 H new ATOM 0 HD13 LEU A 31 37.977 26.144 27.099 1.00 0.00 H new ATOM 0 HD21 LEU A 31 37.462 26.519 30.070 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.925 25.143 29.078 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.865 24.856 30.561 1.00 0.00 H new ATOM 531 N CYS A 32 40.608 21.164 28.220 1.00 0.00 N ATOM 532 CA CYS A 32 40.466 19.778 27.748 1.00 0.00 C ATOM 533 C CYS A 32 40.501 18.731 28.878 1.00 0.00 C ATOM 534 O CYS A 32 39.882 17.673 28.750 1.00 0.00 O ATOM 535 CB CYS A 32 41.584 19.514 26.727 1.00 0.00 C ATOM 536 SG CYS A 32 41.398 17.892 25.935 1.00 0.00 S ATOM 0 H CYS A 32 41.431 21.627 27.834 1.00 0.00 H new ATOM 0 HA CYS A 32 39.481 19.672 27.294 1.00 0.00 H new ATOM 0 HB2 CYS A 32 41.574 20.294 25.966 1.00 0.00 H new ATOM 0 HB3 CYS A 32 42.552 19.567 27.225 1.00 0.00 H new ATOM 0 HG CYS A 32 40.717 17.105 26.713 1.00 0.00 H new ATOM 542 N ASN A 33 41.198 19.004 29.987 1.00 0.00 N ATOM 543 CA ASN A 33 41.111 18.174 31.191 1.00 0.00 C ATOM 544 C ASN A 33 39.779 18.430 31.920 1.00 0.00 C ATOM 545 O ASN A 33 38.884 17.585 31.909 1.00 0.00 O ATOM 546 CB ASN A 33 42.355 18.408 32.077 1.00 0.00 C ATOM 547 CG ASN A 33 42.403 17.503 33.304 1.00 0.00 C ATOM 548 OD1 ASN A 33 41.414 16.931 33.745 1.00 0.00 O ATOM 549 ND2 ASN A 33 43.556 17.333 33.895 1.00 0.00 N ATOM 0 H ASN A 33 41.832 19.798 30.074 1.00 0.00 H new ATOM 0 HA ASN A 33 41.112 17.118 30.922 1.00 0.00 H new ATOM 0 HB2 ASN A 33 43.253 18.247 31.480 1.00 0.00 H new ATOM 0 HB3 ASN A 33 42.371 19.449 32.401 1.00 0.00 H new ATOM 0 HD21 ASN A 33 43.625 16.729 34.714 1.00 0.00 H new ATOM 0 HD22 ASN A 33 44.387 17.804 33.537 1.00 0.00 H new ATOM 556 N ILE A 34 39.625 19.622 32.510 1.00 0.00 N ATOM 557 CA ILE A 34 38.523 19.931 33.438 1.00 0.00 C ATOM 558 C ILE A 34 37.137 19.737 32.800 1.00 0.00 C ATOM 559 O ILE A 34 36.215 19.264 33.460 1.00 0.00 O ATOM 560 CB ILE A 34 38.694 21.346 34.046 1.00 0.00 C ATOM 561 CG1 ILE A 34 38.417 22.460 33.012 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.084 21.502 34.694 1.00 0.00 C ATOM 563 CD1 ILE A 34 38.767 23.870 33.490 1.00 0.00 C ATOM 0 H ILE A 34 40.262 20.404 32.358 1.00 0.00 H new ATOM 0 HA ILE A 34 38.577 19.209 34.253 1.00 0.00 H new ATOM 0 HB ILE A 34 37.945 21.457 34.830 1.00 0.00 H new ATOM 0 HG12 ILE A 34 38.984 22.246 32.106 1.00 0.00 H new ATOM 0 HG13 ILE A 34 37.361 22.433 32.742 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.180 22.503 35.113 1.00 0.00 H new ATOM 0 HG22 ILE A 34 40.201 20.764 35.487 1.00 0.00 H new ATOM 0 HG23 ILE A 34 40.856 21.349 33.940 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.541 24.588 32.702 1.00 0.00 H new ATOM 0 HD12 ILE A 34 38.181 24.109 34.378 1.00 0.00 H new ATOM 0 HD13 ILE A 34 39.829 23.919 33.732 1.00 0.00 H new ATOM 575 N SER A 35 36.991 20.017 31.501 1.00 0.00 N ATOM 576 CA SER A 35 35.709 19.947 30.783 1.00 0.00 C ATOM 577 C SER A 35 35.274 18.527 30.390 1.00 0.00 C ATOM 578 O SER A 35 34.180 18.379 29.852 1.00 0.00 O ATOM 579 CB SER A 35 35.732 20.822 29.521 1.00 0.00 C ATOM 580 OG SER A 35 36.242 22.114 29.778 1.00 0.00 O ATOM 0 H SER A 35 37.770 20.303 30.908 1.00 0.00 H new ATOM 0 HA SER A 35 34.976 20.320 31.499 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.340 20.338 28.756 1.00 0.00 H new ATOM 0 HB3 SER A 35 34.722 20.905 29.120 1.00 0.00 H new ATOM 0 HG SER A 35 37.222 22.088 29.765 1.00 0.00 H new ATOM 586 N LYS A 36 36.096 17.486 30.626 1.00 0.00 N ATOM 587 CA LYS A 36 35.785 16.076 30.311 1.00 0.00 C ATOM 588 C LYS A 36 35.390 15.821 28.839 1.00 0.00 C ATOM 589 O LYS A 36 34.587 14.940 28.515 1.00 0.00 O ATOM 590 CB LYS A 36 34.772 15.550 31.348 1.00 0.00 C ATOM 591 CG LYS A 36 35.391 15.230 32.716 1.00 0.00 C ATOM 592 CD LYS A 36 36.311 14.005 32.759 1.00 0.00 C ATOM 593 CE LYS A 36 36.860 13.663 34.153 1.00 0.00 C ATOM 594 NZ LYS A 36 37.764 12.489 34.156 1.00 0.00 N1+ ATOM 0 H LYS A 36 37.016 17.604 31.051 1.00 0.00 H new ATOM 0 HA LYS A 36 36.701 15.492 30.398 1.00 0.00 H new ATOM 0 HB2 LYS A 36 33.985 16.292 31.481 1.00 0.00 H new ATOM 0 HB3 LYS A 36 34.299 14.650 30.955 1.00 0.00 H new ATOM 0 HG2 LYS A 36 35.958 16.099 33.050 1.00 0.00 H new ATOM 0 HG3 LYS A 36 34.584 15.081 33.433 1.00 0.00 H new ATOM 0 HD2 LYS A 36 35.764 13.143 32.377 1.00 0.00 H new ATOM 0 HD3 LYS A 36 37.150 14.174 32.084 1.00 0.00 H new ATOM 0 HE2 LYS A 36 37.396 14.527 34.546 1.00 0.00 H new ATOM 0 HE3 LYS A 36 36.025 13.472 34.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 38.099 12.311 35.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 37.250 11.654 33.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 38.578 12.676 33.537 1.00 0.00 H new ATOM 608 N LEU A 37 35.960 16.614 27.930 1.00 0.00 N ATOM 609 CA LEU A 37 35.738 16.576 26.493 1.00 0.00 C ATOM 610 C LEU A 37 37.021 16.977 25.757 1.00 0.00 C ATOM 611 O LEU A 37 37.728 17.896 26.174 1.00 0.00 O ATOM 612 CB LEU A 37 34.530 17.466 26.163 1.00 0.00 C ATOM 613 CG LEU A 37 34.696 18.976 26.445 1.00 0.00 C ATOM 614 CD1 LEU A 37 35.153 19.780 25.231 1.00 0.00 C ATOM 615 CD2 LEU A 37 33.371 19.619 26.842 1.00 0.00 C ATOM 0 H LEU A 37 36.626 17.339 28.197 1.00 0.00 H new ATOM 0 HA LEU A 37 35.501 15.568 26.153 1.00 0.00 H new ATOM 0 HB2 LEU A 37 34.290 17.339 25.107 1.00 0.00 H new ATOM 0 HB3 LEU A 37 33.673 17.104 26.731 1.00 0.00 H new ATOM 0 HG LEU A 37 35.443 19.008 27.238 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.247 20.831 25.505 1.00 0.00 H new ATOM 0 HD12 LEU A 37 36.118 19.406 24.889 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.420 19.678 24.430 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.525 20.681 27.033 1.00 0.00 H new ATOM 0 HD22 LEU A 37 32.650 19.496 26.033 1.00 0.00 H new ATOM 0 HD23 LEU A 37 32.990 19.140 27.744 1.00 0.00 H new ATOM 627 N SER A 38 37.320 16.266 24.673 1.00 0.00 N ATOM 628 CA SER A 38 38.612 16.335 23.983 1.00 0.00 C ATOM 629 C SER A 38 38.840 17.657 23.228 1.00 0.00 C ATOM 630 O SER A 38 37.911 18.403 22.906 1.00 0.00 O ATOM 631 CB SER A 38 38.768 15.124 23.051 1.00 0.00 C ATOM 632 OG SER A 38 38.453 13.921 23.734 1.00 0.00 O ATOM 0 H SER A 38 36.664 15.615 24.240 1.00 0.00 H new ATOM 0 HA SER A 38 39.385 16.306 24.751 1.00 0.00 H new ATOM 0 HB2 SER A 38 38.115 15.238 22.186 1.00 0.00 H new ATOM 0 HB3 SER A 38 39.790 15.078 22.675 1.00 0.00 H new ATOM 0 HG SER A 38 38.557 13.161 23.123 1.00 0.00 H new ATOM 638 N MET A 39 40.106 17.928 22.900 1.00 0.00 N ATOM 639 CA MET A 39 40.623 19.204 22.389 1.00 0.00 C ATOM 640 C MET A 39 39.956 19.723 21.101 1.00 0.00 C ATOM 641 O MET A 39 39.875 20.934 20.919 1.00 0.00 O ATOM 642 CB MET A 39 42.152 19.113 22.225 1.00 0.00 C ATOM 643 CG MET A 39 42.645 17.979 21.311 1.00 0.00 C ATOM 644 SD MET A 39 42.531 16.297 21.998 1.00 0.00 S ATOM 645 CE MET A 39 43.889 16.330 23.202 1.00 0.00 C ATOM 0 H MET A 39 40.840 17.225 22.988 1.00 0.00 H new ATOM 0 HA MET A 39 40.361 19.950 23.139 1.00 0.00 H new ATOM 0 HB2 MET A 39 42.516 20.061 21.830 1.00 0.00 H new ATOM 0 HB3 MET A 39 42.600 18.985 23.210 1.00 0.00 H new ATOM 0 HG2 MET A 39 42.073 18.011 20.384 1.00 0.00 H new ATOM 0 HG3 MET A 39 43.685 18.175 21.051 1.00 0.00 H new ATOM 0 HE1 MET A 39 43.995 15.345 23.657 1.00 0.00 H new ATOM 0 HE2 MET A 39 44.817 16.598 22.697 1.00 0.00 H new ATOM 0 HE3 MET A 39 43.671 17.066 23.976 1.00 0.00 H new ATOM 655 N SER A 40 39.429 18.857 20.231 1.00 0.00 N ATOM 656 CA SER A 40 38.616 19.295 19.084 1.00 0.00 C ATOM 657 C SER A 40 37.293 19.944 19.531 1.00 0.00 C ATOM 658 O SER A 40 36.975 21.072 19.145 1.00 0.00 O ATOM 659 CB SER A 40 38.348 18.110 18.153 1.00 0.00 C ATOM 660 OG SER A 40 37.518 18.526 17.094 1.00 0.00 O ATOM 0 H SER A 40 39.549 17.846 20.296 1.00 0.00 H new ATOM 0 HA SER A 40 39.180 20.056 18.545 1.00 0.00 H new ATOM 0 HB2 SER A 40 39.288 17.721 17.762 1.00 0.00 H new ATOM 0 HB3 SER A 40 37.873 17.299 18.705 1.00 0.00 H new ATOM 0 HG SER A 40 37.347 17.769 16.496 1.00 0.00 H new ATOM 666 N THR A 41 36.548 19.277 20.420 1.00 0.00 N ATOM 667 CA THR A 41 35.215 19.705 20.872 1.00 0.00 C ATOM 668 C THR A 41 35.256 21.060 21.590 1.00 0.00 C ATOM 669 O THR A 41 34.375 21.893 21.383 1.00 0.00 O ATOM 670 CB THR A 41 34.587 18.628 21.781 1.00 0.00 C ATOM 671 OG1 THR A 41 34.682 17.360 21.168 1.00 0.00 O ATOM 672 CG2 THR A 41 33.098 18.869 22.032 1.00 0.00 C ATOM 0 H THR A 41 36.859 18.408 20.855 1.00 0.00 H new ATOM 0 HA THR A 41 34.593 19.830 19.985 1.00 0.00 H new ATOM 0 HB THR A 41 35.134 18.675 22.723 1.00 0.00 H new ATOM 0 HG1 THR A 41 34.282 16.683 21.753 1.00 0.00 H new ATOM 0 HG21 THR A 41 32.706 18.083 22.677 1.00 0.00 H new ATOM 0 HG22 THR A 41 32.962 19.836 22.516 1.00 0.00 H new ATOM 0 HG23 THR A 41 32.563 18.860 21.082 1.00 0.00 H new ATOM 680 N VAL A 42 36.301 21.327 22.385 1.00 0.00 N ATOM 681 CA VAL A 42 36.488 22.635 23.048 1.00 0.00 C ATOM 682 C VAL A 42 36.882 23.752 22.074 1.00 0.00 C ATOM 683 O VAL A 42 36.428 24.885 22.224 1.00 0.00 O ATOM 684 CB VAL A 42 37.469 22.522 24.226 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.916 22.277 23.805 1.00 0.00 C ATOM 686 CG2 VAL A 42 37.441 23.771 25.110 1.00 0.00 C ATOM 0 H VAL A 42 37.038 20.652 22.589 1.00 0.00 H new ATOM 0 HA VAL A 42 35.517 22.925 23.449 1.00 0.00 H new ATOM 0 HB VAL A 42 37.121 21.651 24.781 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.546 22.209 24.692 1.00 0.00 H new ATOM 0 HG12 VAL A 42 38.979 21.345 23.243 1.00 0.00 H new ATOM 0 HG13 VAL A 42 39.257 23.102 23.179 1.00 0.00 H new ATOM 0 HG21 VAL A 42 38.148 23.652 25.931 1.00 0.00 H new ATOM 0 HG22 VAL A 42 37.717 24.643 24.517 1.00 0.00 H new ATOM 0 HG23 VAL A 42 36.438 23.909 25.513 1.00 0.00 H new ATOM 696 N ARG A 43 37.680 23.447 21.042 1.00 0.00 N ATOM 697 CA ARG A 43 37.970 24.405 19.957 1.00 0.00 C ATOM 698 C ARG A 43 36.699 24.774 19.188 1.00 0.00 C ATOM 699 O ARG A 43 36.455 25.956 18.952 1.00 0.00 O ATOM 700 CB ARG A 43 39.085 23.881 19.026 1.00 0.00 C ATOM 701 CG ARG A 43 40.463 23.981 19.701 1.00 0.00 C ATOM 702 CD ARG A 43 41.651 23.774 18.751 1.00 0.00 C ATOM 703 NE ARG A 43 41.730 22.401 18.220 1.00 0.00 N ATOM 704 CZ ARG A 43 42.620 21.467 18.490 1.00 0.00 C ATOM 705 NH1 ARG A 43 43.587 21.703 19.327 1.00 0.00 N ATOM 706 NH2 ARG A 43 42.554 20.312 17.903 1.00 0.00 N ATOM 0 H ARG A 43 38.139 22.543 20.932 1.00 0.00 H new ATOM 0 HA ARG A 43 38.344 25.322 20.412 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.882 22.844 18.759 1.00 0.00 H new ATOM 0 HB3 ARG A 43 39.088 24.454 18.099 1.00 0.00 H new ATOM 0 HG2 ARG A 43 40.554 24.961 20.169 1.00 0.00 H new ATOM 0 HG3 ARG A 43 40.518 23.240 20.499 1.00 0.00 H new ATOM 0 HD2 ARG A 43 41.572 24.475 17.920 1.00 0.00 H new ATOM 0 HD3 ARG A 43 42.576 24.008 19.278 1.00 0.00 H new ATOM 0 HE ARG A 43 41.000 22.140 17.557 1.00 0.00 H new ATOM 0 HH11 ARG A 43 43.660 22.615 19.778 1.00 0.00 H new ATOM 0 HH12 ARG A 43 44.273 20.976 19.532 1.00 0.00 H new ATOM 0 HH21 ARG A 43 41.811 20.124 17.230 1.00 0.00 H new ATOM 0 HH22 ARG A 43 43.245 19.592 18.115 1.00 0.00 H new ATOM 720 N ARG A 44 35.851 23.790 18.868 1.00 0.00 N ATOM 721 CA ARG A 44 34.557 24.000 18.193 1.00 0.00 C ATOM 722 C ARG A 44 33.539 24.781 19.029 1.00 0.00 C ATOM 723 O ARG A 44 32.941 25.724 18.511 1.00 0.00 O ATOM 724 CB ARG A 44 33.983 22.641 17.761 1.00 0.00 C ATOM 725 CG ARG A 44 34.710 22.003 16.559 1.00 0.00 C ATOM 726 CD ARG A 44 34.750 22.893 15.305 1.00 0.00 C ATOM 727 NE ARG A 44 33.412 23.408 14.959 1.00 0.00 N ATOM 728 CZ ARG A 44 33.087 24.620 14.560 1.00 0.00 C ATOM 729 NH1 ARG A 44 34.001 25.534 14.431 1.00 0.00 N ATOM 730 NH2 ARG A 44 31.850 24.914 14.299 1.00 0.00 N ATOM 0 H ARG A 44 36.044 22.809 19.072 1.00 0.00 H new ATOM 0 HA ARG A 44 34.751 24.624 17.320 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.029 21.954 18.606 1.00 0.00 H new ATOM 0 HB3 ARG A 44 32.930 22.767 17.510 1.00 0.00 H new ATOM 0 HG2 ARG A 44 35.731 21.761 16.853 1.00 0.00 H new ATOM 0 HG3 ARG A 44 34.219 21.063 16.309 1.00 0.00 H new ATOM 0 HD2 ARG A 44 35.429 23.729 15.473 1.00 0.00 H new ATOM 0 HD3 ARG A 44 35.148 22.322 14.466 1.00 0.00 H new ATOM 0 HE ARG A 44 32.643 22.743 15.039 1.00 0.00 H new ATOM 0 HH11 ARG A 44 34.975 25.314 14.639 1.00 0.00 H new ATOM 0 HH12 ARG A 44 33.745 26.472 14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 44 31.124 24.205 14.403 1.00 0.00 H new ATOM 0 HH22 ARG A 44 31.604 25.854 13.990 1.00 0.00 H new ATOM 744 N SER A 45 33.367 24.460 20.312 1.00 0.00 N ATOM 745 CA SER A 45 32.449 25.205 21.187 1.00 0.00 C ATOM 746 C SER A 45 32.910 26.660 21.388 1.00 0.00 C ATOM 747 O SER A 45 32.107 27.577 21.243 1.00 0.00 O ATOM 748 CB SER A 45 32.273 24.475 22.516 1.00 0.00 C ATOM 749 OG SER A 45 33.492 24.423 23.219 1.00 0.00 O ATOM 0 H SER A 45 33.850 23.689 20.773 1.00 0.00 H new ATOM 0 HA SER A 45 31.476 25.253 20.698 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.521 24.983 23.119 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.908 23.464 22.336 1.00 0.00 H new ATOM 0 HG SER A 45 34.235 24.570 22.597 1.00 0.00 H new ATOM 755 N ILE A 46 34.209 26.918 21.591 1.00 0.00 N ATOM 756 CA ILE A 46 34.765 28.290 21.620 1.00 0.00 C ATOM 757 C ILE A 46 34.548 29.040 20.294 1.00 0.00 C ATOM 758 O ILE A 46 34.274 30.240 20.328 1.00 0.00 O ATOM 759 CB ILE A 46 36.257 28.254 22.035 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.406 28.028 23.561 1.00 0.00 C ATOM 761 CG2 ILE A 46 37.076 29.488 21.598 1.00 0.00 C ATOM 762 CD1 ILE A 46 36.074 29.221 24.459 1.00 0.00 C ATOM 0 H ILE A 46 34.907 26.189 21.740 1.00 0.00 H new ATOM 0 HA ILE A 46 34.217 28.857 22.372 1.00 0.00 H new ATOM 0 HB ILE A 46 36.678 27.408 21.492 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.764 27.195 23.848 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.433 27.723 23.763 1.00 0.00 H new ATOM 0 HG21 ILE A 46 38.108 29.376 21.931 1.00 0.00 H new ATOM 0 HG22 ILE A 46 37.053 29.574 20.512 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.646 30.386 22.042 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.216 28.941 25.503 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.732 30.055 24.214 1.00 0.00 H new ATOM 0 HD13 ILE A 46 35.037 29.518 24.300 1.00 0.00 H new ATOM 774 N LYS A 47 34.600 28.365 19.134 1.00 0.00 N ATOM 775 CA LYS A 47 34.324 29.000 17.830 1.00 0.00 C ATOM 776 C LYS A 47 32.877 29.487 17.751 1.00 0.00 C ATOM 777 O LYS A 47 32.646 30.618 17.335 1.00 0.00 O ATOM 778 CB LYS A 47 34.666 28.056 16.659 1.00 0.00 C ATOM 779 CG LYS A 47 36.155 28.039 16.269 1.00 0.00 C ATOM 780 CD LYS A 47 36.597 29.358 15.612 1.00 0.00 C ATOM 781 CE LYS A 47 37.971 29.275 14.934 1.00 0.00 C ATOM 782 NZ LYS A 47 39.070 28.974 15.880 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.832 27.374 19.071 1.00 0.00 H new ATOM 0 HA LYS A 47 34.972 29.872 17.743 1.00 0.00 H new ATOM 0 HB2 LYS A 47 34.361 27.044 16.924 1.00 0.00 H new ATOM 0 HB3 LYS A 47 34.078 28.349 15.789 1.00 0.00 H new ATOM 0 HG2 LYS A 47 36.760 27.857 17.157 1.00 0.00 H new ATOM 0 HG3 LYS A 47 36.340 27.213 15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.853 29.653 14.872 1.00 0.00 H new ATOM 0 HD3 LYS A 47 36.621 30.141 16.369 1.00 0.00 H new ATOM 0 HE2 LYS A 47 37.943 28.505 14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 47 38.180 30.220 14.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 39.971 28.931 15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 39.121 29.721 16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 38.891 28.059 16.340 1.00 0.00 H new ATOM 796 N LYS A 48 31.921 28.690 18.244 1.00 0.00 N ATOM 797 CA LYS A 48 30.531 29.121 18.446 1.00 0.00 C ATOM 798 C LYS A 48 30.417 30.268 19.459 1.00 0.00 C ATOM 799 O LYS A 48 29.741 31.254 19.182 1.00 0.00 O ATOM 800 CB LYS A 48 29.687 27.923 18.904 1.00 0.00 C ATOM 801 CG LYS A 48 29.380 26.909 17.791 1.00 0.00 C ATOM 802 CD LYS A 48 28.333 25.910 18.304 1.00 0.00 C ATOM 803 CE LYS A 48 28.122 24.741 17.335 1.00 0.00 C ATOM 804 NZ LYS A 48 26.997 23.880 17.767 1.00 0.00 N1+ ATOM 0 H LYS A 48 32.091 27.722 18.516 1.00 0.00 H new ATOM 0 HA LYS A 48 30.158 29.499 17.494 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.210 27.412 19.712 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.747 28.291 19.315 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.008 27.423 16.905 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.289 26.385 17.497 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.647 25.523 19.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.386 26.427 18.458 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.925 25.126 16.335 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.034 24.148 17.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 27.287 22.882 17.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.731 24.120 18.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.182 24.032 17.139 1.00 0.00 H new ATOM 818 N PHE A 49 31.076 30.189 20.618 1.00 0.00 N ATOM 819 CA PHE A 49 30.915 31.187 21.688 1.00 0.00 C ATOM 820 C PHE A 49 31.450 32.594 21.364 1.00 0.00 C ATOM 821 O PHE A 49 31.029 33.547 22.022 1.00 0.00 O ATOM 822 CB PHE A 49 31.461 30.655 23.025 1.00 0.00 C ATOM 823 CG PHE A 49 30.739 29.442 23.594 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.332 29.392 23.571 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.459 28.374 24.167 1.00 0.00 C ATOM 826 CE1 PHE A 49 28.654 28.251 24.023 1.00 0.00 C ATOM 827 CE2 PHE A 49 30.780 27.227 24.624 1.00 0.00 C ATOM 828 CZ PHE A 49 29.380 27.153 24.503 1.00 0.00 C ATOM 0 H PHE A 49 31.731 29.440 20.844 1.00 0.00 H new ATOM 0 HA PHE A 49 29.839 31.333 21.779 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.512 30.400 22.892 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.418 31.459 23.760 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.771 30.238 23.203 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.534 28.435 24.256 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.575 28.219 24.001 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.331 26.409 25.065 1.00 0.00 H new ATOM 0 HZ PHE A 49 28.863 26.246 24.781 1.00 0.00 H new ATOM 838 N LEU A 50 32.284 32.756 20.330 1.00 0.00 N ATOM 839 CA LEU A 50 32.596 34.071 19.747 1.00 0.00 C ATOM 840 C LEU A 50 31.336 34.757 19.194 1.00 0.00 C ATOM 841 O LEU A 50 31.142 35.958 19.379 1.00 0.00 O ATOM 842 CB LEU A 50 33.624 33.909 18.619 1.00 0.00 C ATOM 843 CG LEU A 50 35.028 33.533 19.127 1.00 0.00 C ATOM 844 CD1 LEU A 50 35.849 32.955 17.984 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.795 34.741 19.674 1.00 0.00 C ATOM 0 H LEU A 50 32.763 31.980 19.872 1.00 0.00 H new ATOM 0 HA LEU A 50 33.006 34.698 20.539 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.277 33.141 17.928 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.686 34.840 18.056 1.00 0.00 H new ATOM 0 HG LEU A 50 34.886 32.809 19.930 1.00 0.00 H new ATOM 0 HD11 LEU A 50 36.842 32.690 18.347 1.00 0.00 H new ATOM 0 HD12 LEU A 50 35.355 32.064 17.595 1.00 0.00 H new ATOM 0 HD13 LEU A 50 35.939 33.696 17.190 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.778 34.422 20.019 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.911 35.485 18.886 1.00 0.00 H new ATOM 0 HD23 LEU A 50 35.242 35.177 20.506 1.00 0.00 H new ATOM 857 N GLU A 51 30.445 33.994 18.555 1.00 0.00 N ATOM 858 CA GLU A 51 29.178 34.494 18.001 1.00 0.00 C ATOM 859 C GLU A 51 28.140 34.811 19.090 1.00 0.00 C ATOM 860 O GLU A 51 27.235 35.616 18.866 1.00 0.00 O ATOM 861 CB GLU A 51 28.574 33.479 17.016 1.00 0.00 C ATOM 862 CG GLU A 51 29.570 33.008 15.947 1.00 0.00 C ATOM 863 CD GLU A 51 28.909 32.230 14.802 1.00 0.00 C ATOM 864 OE1 GLU A 51 27.714 31.852 14.897 1.00 0.00 O ATOM 865 OE2 GLU A 51 29.605 32.022 13.780 1.00 0.00 O ATOM 0 H GLU A 51 30.583 32.995 18.404 1.00 0.00 H new ATOM 0 HA GLU A 51 29.419 35.421 17.482 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.212 32.614 17.572 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.710 33.928 16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.088 33.875 15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.325 32.378 16.417 1.00 0.00 H new ATOM 872 N LEU A 52 28.281 34.190 20.270 1.00 0.00 N ATOM 873 CA LEU A 52 27.526 34.493 21.492 1.00 0.00 C ATOM 874 C LEU A 52 28.138 35.654 22.303 1.00 0.00 C ATOM 875 O LEU A 52 27.567 36.050 23.313 1.00 0.00 O ATOM 876 CB LEU A 52 27.380 33.231 22.370 1.00 0.00 C ATOM 877 CG LEU A 52 26.385 32.174 21.849 1.00 0.00 C ATOM 878 CD1 LEU A 52 26.915 31.289 20.719 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.908 31.250 22.969 1.00 0.00 C ATOM 0 H LEU A 52 28.951 33.433 20.403 1.00 0.00 H new ATOM 0 HA LEU A 52 26.536 34.822 21.175 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.360 32.764 22.471 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.068 33.538 23.368 1.00 0.00 H new ATOM 0 HG LEU A 52 25.567 32.773 21.449 1.00 0.00 H new ATOM 0 HD11 LEU A 52 26.144 30.579 20.421 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.185 31.911 19.866 1.00 0.00 H new ATOM 0 HD13 LEU A 52 27.795 30.746 21.064 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.208 30.519 22.564 1.00 0.00 H new ATOM 0 HD22 LEU A 52 26.764 30.732 23.403 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.411 31.839 23.740 1.00 0.00 H new ATOM 891 N GLN A 53 29.371 36.035 21.988 1.00 0.00 N ATOM 892 CA GLN A 53 30.036 37.148 22.669 1.00 0.00 C ATOM 893 C GLN A 53 30.544 36.795 24.077 1.00 0.00 C ATOM 894 O GLN A 53 31.115 37.642 24.765 1.00 0.00 O ATOM 895 CB GLN A 53 29.090 38.346 22.760 1.00 0.00 C ATOM 896 CG GLN A 53 28.624 38.874 21.412 1.00 0.00 C ATOM 897 CD GLN A 53 27.713 40.080 21.538 1.00 0.00 C ATOM 898 OE1 GLN A 53 27.793 40.769 22.672 1.00 0.00 O flip ATOM 899 NE2 GLN A 53 26.945 40.389 20.627 1.00 0.00 N flip ATOM 0 H GLN A 53 29.935 35.590 21.264 1.00 0.00 H new ATOM 0 HA GLN A 53 30.912 37.391 22.067 1.00 0.00 H new ATOM 0 HB2 GLN A 53 28.217 38.062 23.348 1.00 0.00 H new ATOM 0 HB3 GLN A 53 29.590 39.150 23.300 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.493 39.142 20.811 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.099 38.082 20.878 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.916 39.832 19.773 1.00 0.00 H new ATOM 0 HE22 GLN A 53 26.337 41.202 20.726 1.00 0.00 H new ATOM 908 N TYR A 54 30.334 35.551 24.497 1.00 0.00 N ATOM 909 CA TYR A 54 30.756 35.067 25.811 1.00 0.00 C ATOM 910 C TYR A 54 32.271 34.986 25.968 1.00 0.00 C ATOM 911 O TYR A 54 32.814 35.165 27.058 1.00 0.00 O ATOM 912 CB TYR A 54 30.140 33.694 26.086 1.00 0.00 C ATOM 913 CG TYR A 54 28.628 33.693 26.081 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.912 34.834 26.416 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.917 32.550 25.742 1.00 0.00 C ATOM 916 CE1 TYR A 54 26.531 34.838 26.412 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.535 32.543 25.736 1.00 0.00 C ATOM 918 CZ TYR A 54 25.847 33.690 26.072 1.00 0.00 C ATOM 919 OH TYR A 54 24.471 33.688 26.067 1.00 0.00 O ATOM 0 H TYR A 54 29.863 34.844 23.932 1.00 0.00 H new ATOM 0 HA TYR A 54 30.400 35.798 26.537 1.00 0.00 H new ATOM 0 HB2 TYR A 54 30.497 32.989 25.336 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.491 33.335 27.053 1.00 0.00 H new ATOM 0 HD1 TYR A 54 28.444 35.735 26.685 1.00 0.00 H new ATOM 0 HD2 TYR A 54 28.453 31.650 25.478 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.990 35.735 26.674 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.997 31.645 25.470 1.00 0.00 H new ATOM 0 HH TYR A 54 24.146 32.802 25.804 1.00 0.00 H new ATOM 929 N VAL A 55 32.935 34.710 24.855 1.00 0.00 N ATOM 930 CA VAL A 55 34.389 34.481 24.838 1.00 0.00 C ATOM 931 C VAL A 55 35.060 35.393 23.806 1.00 0.00 C ATOM 932 O VAL A 55 34.455 35.728 22.788 1.00 0.00 O ATOM 933 CB VAL A 55 34.754 32.990 24.637 1.00 0.00 C ATOM 934 CG1 VAL A 55 34.265 32.133 25.809 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.223 32.416 23.322 1.00 0.00 C ATOM 0 H VAL A 55 32.493 34.637 23.939 1.00 0.00 H new ATOM 0 HA VAL A 55 34.779 34.744 25.821 1.00 0.00 H new ATOM 0 HB VAL A 55 35.843 32.956 24.594 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.537 31.092 25.637 1.00 0.00 H new ATOM 0 HG12 VAL A 55 34.728 32.481 26.732 1.00 0.00 H new ATOM 0 HG13 VAL A 55 33.181 32.216 25.893 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.511 31.368 23.240 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.136 32.496 23.303 1.00 0.00 H new ATOM 0 HG23 VAL A 55 34.643 32.975 22.485 1.00 0.00 H new ATOM 945 N LYS A 56 36.305 35.804 24.067 1.00 0.00 N ATOM 946 CA LYS A 56 37.090 36.759 23.262 1.00 0.00 C ATOM 947 C LYS A 56 38.561 36.359 23.227 1.00 0.00 C ATOM 948 O LYS A 56 39.070 35.757 24.162 1.00 0.00 O ATOM 949 CB LYS A 56 36.964 38.161 23.871 1.00 0.00 C ATOM 950 CG LYS A 56 35.620 38.851 23.620 1.00 0.00 C ATOM 951 CD LYS A 56 35.489 39.590 22.280 1.00 0.00 C ATOM 952 CE LYS A 56 36.409 40.815 22.154 1.00 0.00 C ATOM 953 NZ LYS A 56 36.249 41.759 23.286 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.820 35.468 24.880 1.00 0.00 H new ATOM 0 HA LYS A 56 36.702 36.754 22.243 1.00 0.00 H new ATOM 0 HB2 LYS A 56 37.125 38.091 24.947 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.760 38.789 23.470 1.00 0.00 H new ATOM 0 HG2 LYS A 56 34.831 38.101 23.679 1.00 0.00 H new ATOM 0 HG3 LYS A 56 35.443 39.564 24.425 1.00 0.00 H new ATOM 0 HD2 LYS A 56 35.711 38.896 21.470 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.455 39.909 22.152 1.00 0.00 H new ATOM 0 HE2 LYS A 56 37.446 40.484 22.104 1.00 0.00 H new ATOM 0 HE3 LYS A 56 36.195 41.333 21.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 36.382 42.733 22.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.295 41.660 23.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 36.957 41.547 24.017 1.00 0.00 H new ATOM 967 N GLU A 57 39.233 36.694 22.136 1.00 0.00 N ATOM 968 CA GLU A 57 40.567 36.172 21.786 1.00 0.00 C ATOM 969 C GLU A 57 41.755 37.092 22.136 1.00 0.00 C ATOM 970 O GLU A 57 41.652 38.323 22.154 1.00 0.00 O ATOM 971 CB GLU A 57 40.599 35.767 20.302 1.00 0.00 C ATOM 972 CG GLU A 57 40.105 36.853 19.336 1.00 0.00 C ATOM 973 CD GLU A 57 40.208 36.453 17.855 1.00 0.00 C ATOM 974 OE1 GLU A 57 39.601 37.166 17.023 1.00 0.00 O ATOM 975 OE2 GLU A 57 40.899 35.462 17.522 1.00 0.00 O ATOM 0 H GLU A 57 38.867 37.351 21.447 1.00 0.00 H new ATOM 0 HA GLU A 57 40.712 35.299 22.422 1.00 0.00 H new ATOM 0 HB2 GLU A 57 41.620 35.497 20.034 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.988 34.874 20.169 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.067 37.089 19.568 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.683 37.763 19.499 1.00 0.00 H new ATOM 1076 N LYS A 65 47.591 31.410 20.664 1.00 0.00 N ATOM 1077 CA LYS A 65 46.484 32.238 21.177 1.00 0.00 C ATOM 1078 C LYS A 65 45.841 31.665 22.446 1.00 0.00 C ATOM 1079 O LYS A 65 46.079 30.530 22.851 1.00 0.00 O ATOM 1080 CB LYS A 65 45.435 32.410 20.061 1.00 0.00 C ATOM 1081 CG LYS A 65 44.644 31.116 19.784 1.00 0.00 C ATOM 1082 CD LYS A 65 43.628 31.281 18.644 1.00 0.00 C ATOM 1083 CE LYS A 65 44.277 31.539 17.283 1.00 0.00 C ATOM 1084 NZ LYS A 65 45.122 30.404 16.848 1.00 0.00 N1+ ATOM 0 HA LYS A 65 46.894 33.206 21.464 1.00 0.00 H new ATOM 0 HB2 LYS A 65 44.741 33.203 20.340 1.00 0.00 H new ATOM 0 HB3 LYS A 65 45.933 32.730 19.146 1.00 0.00 H new ATOM 0 HG2 LYS A 65 45.340 30.315 19.533 1.00 0.00 H new ATOM 0 HG3 LYS A 65 44.121 30.812 20.691 1.00 0.00 H new ATOM 0 HD2 LYS A 65 43.015 30.382 18.581 1.00 0.00 H new ATOM 0 HD3 LYS A 65 42.958 32.108 18.881 1.00 0.00 H new ATOM 0 HE2 LYS A 65 43.501 31.719 16.539 1.00 0.00 H new ATOM 0 HE3 LYS A 65 44.883 32.443 17.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 45.405 30.542 15.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 45.971 30.354 17.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 44.584 29.518 16.934 1.00 0.00 H new ATOM 1098 N THR A 66 44.935 32.447 23.024 1.00 0.00 N ATOM 1099 CA THR A 66 44.165 32.115 24.232 1.00 0.00 C ATOM 1100 C THR A 66 42.850 32.910 24.261 1.00 0.00 C ATOM 1101 O THR A 66 42.727 33.873 23.500 1.00 0.00 O ATOM 1102 CB THR A 66 45.052 32.355 25.460 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.338 32.022 26.618 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.585 33.785 25.585 1.00 0.00 C ATOM 0 H THR A 66 44.703 33.369 22.653 1.00 0.00 H new ATOM 0 HA THR A 66 43.877 31.064 24.234 1.00 0.00 H new ATOM 0 HB THR A 66 45.927 31.717 25.333 1.00 0.00 H new ATOM 0 HG1 THR A 66 43.749 31.261 26.432 1.00 0.00 H new ATOM 0 HG21 THR A 66 46.202 33.866 26.480 1.00 0.00 H new ATOM 0 HG22 THR A 66 46.184 34.028 24.708 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.748 34.480 25.657 1.00 0.00 H new ATOM 1112 N PHE A 67 41.860 32.518 25.077 1.00 0.00 N ATOM 1113 CA PHE A 67 40.527 33.152 25.086 1.00 0.00 C ATOM 1114 C PHE A 67 40.003 33.463 26.499 1.00 0.00 C ATOM 1115 O PHE A 67 39.879 32.564 27.329 1.00 0.00 O ATOM 1116 CB PHE A 67 39.497 32.304 24.310 1.00 0.00 C ATOM 1117 CG PHE A 67 39.817 32.033 22.849 1.00 0.00 C ATOM 1118 CD1 PHE A 67 40.771 31.049 22.517 1.00 0.00 C ATOM 1119 CD2 PHE A 67 39.152 32.728 21.816 1.00 0.00 C ATOM 1120 CE1 PHE A 67 41.090 30.798 21.175 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.421 32.415 20.471 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.402 31.464 20.149 1.00 0.00 C ATOM 0 H PHE A 67 41.957 31.756 25.748 1.00 0.00 H new ATOM 0 HA PHE A 67 40.656 34.109 24.581 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.387 31.347 24.820 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.531 32.806 24.362 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.258 30.486 23.300 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.437 33.500 22.058 1.00 0.00 H new ATOM 0 HE1 PHE A 67 41.868 30.090 20.930 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.871 32.908 19.683 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.627 31.246 19.115 1.00 0.00 H new ATOM 1132 N TYR A 68 39.667 34.726 26.779 1.00 0.00 N ATOM 1133 CA TYR A 68 39.011 35.144 28.029 1.00 0.00 C ATOM 1134 C TYR A 68 37.488 35.162 27.894 1.00 0.00 C ATOM 1135 O TYR A 68 36.944 35.221 26.790 1.00 0.00 O ATOM 1136 CB TYR A 68 39.534 36.507 28.512 1.00 0.00 C ATOM 1137 CG TYR A 68 39.210 37.692 27.622 1.00 0.00 C ATOM 1138 CD1 TYR A 68 38.001 38.400 27.795 1.00 0.00 C ATOM 1139 CD2 TYR A 68 40.143 38.105 26.651 1.00 0.00 C ATOM 1140 CE1 TYR A 68 37.730 39.523 26.988 1.00 0.00 C ATOM 1141 CE2 TYR A 68 39.876 39.236 25.851 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.666 39.946 26.021 1.00 0.00 C ATOM 1143 OH TYR A 68 38.370 41.008 25.222 1.00 0.00 O ATOM 0 H TYR A 68 39.844 35.499 26.138 1.00 0.00 H new ATOM 0 HA TYR A 68 39.266 34.400 28.784 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.127 36.700 29.504 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.617 36.442 28.619 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.288 38.083 28.542 1.00 0.00 H new ATOM 0 HD2 TYR A 68 41.063 37.556 26.519 1.00 0.00 H new ATOM 0 HE1 TYR A 68 36.802 40.062 27.110 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.594 39.558 25.111 1.00 0.00 H new ATOM 0 HH TYR A 68 39.117 41.175 24.610 1.00 0.00 H new ATOM 1153 N ILE A 69 36.798 35.124 29.035 1.00 0.00 N ATOM 1154 CA ILE A 69 35.337 35.233 29.125 1.00 0.00 C ATOM 1155 C ILE A 69 34.951 36.671 29.494 1.00 0.00 C ATOM 1156 O ILE A 69 35.565 37.289 30.366 1.00 0.00 O ATOM 1157 CB ILE A 69 34.783 34.155 30.086 1.00 0.00 C ATOM 1158 CG1 ILE A 69 34.659 32.778 29.403 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.389 34.494 30.633 1.00 0.00 C ATOM 1160 CD1 ILE A 69 35.972 32.140 28.920 1.00 0.00 C ATOM 0 H ILE A 69 37.248 35.014 29.944 1.00 0.00 H new ATOM 0 HA ILE A 69 34.872 35.033 28.160 1.00 0.00 H new ATOM 0 HB ILE A 69 35.507 34.127 30.900 1.00 0.00 H new ATOM 0 HG12 ILE A 69 34.181 32.091 30.101 1.00 0.00 H new ATOM 0 HG13 ILE A 69 33.992 32.879 28.547 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.057 33.699 31.300 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.433 35.434 31.182 1.00 0.00 H new ATOM 0 HG23 ILE A 69 32.687 34.590 29.805 1.00 0.00 H new ATOM 0 HD11 ILE A 69 35.760 31.176 28.457 1.00 0.00 H new ATOM 0 HD12 ILE A 69 36.448 32.795 28.191 1.00 0.00 H new ATOM 0 HD13 ILE A 69 36.640 31.995 29.769 1.00 0.00 H new ATOM 1172 N THR A 70 33.941 37.205 28.812 1.00 0.00 N ATOM 1173 CA THR A 70 33.453 38.580 28.945 1.00 0.00 C ATOM 1174 C THR A 70 32.425 38.722 30.083 1.00 0.00 C ATOM 1175 O THR A 70 31.766 37.736 30.436 1.00 0.00 O ATOM 1176 CB THR A 70 32.773 38.986 27.623 1.00 0.00 C ATOM 1177 OG1 THR A 70 31.680 38.149 27.335 1.00 0.00 O ATOM 1178 CG2 THR A 70 33.726 38.933 26.435 1.00 0.00 C ATOM 0 H THR A 70 33.416 36.670 28.121 1.00 0.00 H new ATOM 0 HA THR A 70 34.305 39.220 29.175 1.00 0.00 H new ATOM 0 HB THR A 70 32.440 40.014 27.769 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.754 37.820 26.415 1.00 0.00 H new ATOM 0 HG21 THR A 70 33.196 39.228 25.530 1.00 0.00 H new ATOM 0 HG22 THR A 70 34.559 39.615 26.606 1.00 0.00 H new ATOM 0 HG23 THR A 70 34.106 37.918 26.318 1.00 0.00 H new ATOM 1186 N PRO A 71 32.188 39.939 30.627 1.00 0.00 N ATOM 1187 CA PRO A 71 31.129 40.169 31.623 1.00 0.00 C ATOM 1188 C PRO A 71 29.739 39.756 31.113 1.00 0.00 C ATOM 1189 O PRO A 71 28.941 39.222 31.881 1.00 0.00 O ATOM 1190 CB PRO A 71 31.184 41.666 31.949 1.00 0.00 C ATOM 1191 CG PRO A 71 31.774 42.271 30.675 1.00 0.00 C ATOM 1192 CD PRO A 71 32.803 41.214 30.278 1.00 0.00 C ATOM 0 HA PRO A 71 31.295 39.555 32.508 1.00 0.00 H new ATOM 0 HB2 PRO A 71 30.195 42.069 32.167 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.809 41.867 32.819 1.00 0.00 H new ATOM 0 HG2 PRO A 71 31.018 42.417 29.903 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.234 43.242 30.858 1.00 0.00 H new ATOM 0 HD2 PRO A 71 33.030 41.264 29.213 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.743 41.358 30.811 1.00 0.00 H new ATOM 1200 N ASN A 72 29.477 39.898 29.806 1.00 0.00 N ATOM 1201 CA ASN A 72 28.225 39.472 29.175 1.00 0.00 C ATOM 1202 C ASN A 72 27.911 37.987 29.407 1.00 0.00 C ATOM 1203 O ASN A 72 26.740 37.625 29.498 1.00 0.00 O ATOM 1204 CB ASN A 72 28.287 39.731 27.660 1.00 0.00 C ATOM 1205 CG ASN A 72 28.449 41.191 27.310 1.00 0.00 C ATOM 1206 OD1 ASN A 72 29.502 41.778 27.512 1.00 0.00 O ATOM 1207 ND2 ASN A 72 27.421 41.812 26.780 1.00 0.00 N ATOM 0 H ASN A 72 30.138 40.317 29.152 1.00 0.00 H new ATOM 0 HA ASN A 72 27.431 40.057 29.639 1.00 0.00 H new ATOM 0 HB2 ASN A 72 29.119 39.168 27.236 1.00 0.00 H new ATOM 0 HB3 ASN A 72 27.376 39.352 27.196 1.00 0.00 H new ATOM 0 HD21 ASN A 72 27.494 42.798 26.530 1.00 0.00 H new ATOM 0 HD22 ASN A 72 26.549 41.308 26.618 1.00 0.00 H new ATOM 1214 N GLY A 73 28.934 37.127 29.505 1.00 0.00 N ATOM 1215 CA GLY A 73 28.749 35.716 29.834 1.00 0.00 C ATOM 1216 C GLY A 73 28.459 35.497 31.319 1.00 0.00 C ATOM 1217 O GLY A 73 27.533 34.751 31.636 1.00 0.00 O ATOM 0 H GLY A 73 29.908 37.393 29.358 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.927 35.313 29.243 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.644 35.160 29.556 1.00 0.00 H new ATOM 1221 N ILE A 74 29.169 36.174 32.237 1.00 0.00 N ATOM 1222 CA ILE A 74 28.911 36.119 33.684 1.00 0.00 C ATOM 1223 C ILE A 74 27.453 36.451 34.002 1.00 0.00 C ATOM 1224 O ILE A 74 26.856 35.757 34.819 1.00 0.00 O ATOM 1225 CB ILE A 74 29.874 37.063 34.457 1.00 0.00 C ATOM 1226 CG1 ILE A 74 31.331 36.556 34.435 1.00 0.00 C ATOM 1227 CG2 ILE A 74 29.496 37.274 35.934 1.00 0.00 C ATOM 1228 CD1 ILE A 74 32.238 37.235 33.415 1.00 0.00 C ATOM 0 H ILE A 74 29.949 36.783 31.990 1.00 0.00 H new ATOM 0 HA ILE A 74 29.099 35.097 34.014 1.00 0.00 H new ATOM 0 HB ILE A 74 29.780 38.010 33.926 1.00 0.00 H new ATOM 0 HG12 ILE A 74 31.761 36.692 35.427 1.00 0.00 H new ATOM 0 HG13 ILE A 74 31.323 35.485 34.235 1.00 0.00 H new ATOM 0 HG21 ILE A 74 30.217 37.944 36.402 1.00 0.00 H new ATOM 0 HG22 ILE A 74 28.500 37.712 35.996 1.00 0.00 H new ATOM 0 HG23 ILE A 74 29.503 36.315 36.452 1.00 0.00 H new ATOM 0 HD11 ILE A 74 33.239 36.809 33.478 1.00 0.00 H new ATOM 0 HD12 ILE A 74 31.840 37.078 32.413 1.00 0.00 H new ATOM 0 HD13 ILE A 74 32.284 38.304 33.624 1.00 0.00 H new ATOM 1240 N GLU A 75 26.841 37.439 33.346 1.00 0.00 N ATOM 1241 CA GLU A 75 25.425 37.791 33.559 1.00 0.00 C ATOM 1242 C GLU A 75 24.475 36.609 33.339 1.00 0.00 C ATOM 1243 O GLU A 75 23.552 36.386 34.125 1.00 0.00 O ATOM 1244 CB GLU A 75 25.054 38.965 32.641 1.00 0.00 C ATOM 1245 CG GLU A 75 25.774 40.222 33.147 1.00 0.00 C ATOM 1246 CD GLU A 75 25.330 41.526 32.484 1.00 0.00 C ATOM 1247 OE1 GLU A 75 25.226 42.535 33.227 1.00 0.00 O ATOM 1248 OE2 GLU A 75 25.175 41.595 31.242 1.00 0.00 O ATOM 0 H GLU A 75 27.308 38.021 32.651 1.00 0.00 H new ATOM 0 HA GLU A 75 25.309 38.081 34.603 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.345 38.749 31.613 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.975 39.120 32.641 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.617 40.306 34.222 1.00 0.00 H new ATOM 0 HG3 GLU A 75 26.846 40.098 32.990 1.00 0.00 H new ATOM 1255 N LYS A 76 24.760 35.768 32.341 1.00 0.00 N ATOM 1256 CA LYS A 76 24.044 34.506 32.112 1.00 0.00 C ATOM 1257 C LYS A 76 24.250 33.538 33.278 1.00 0.00 C ATOM 1258 O LYS A 76 23.301 32.879 33.685 1.00 0.00 O ATOM 1259 CB LYS A 76 24.510 33.858 30.796 1.00 0.00 C ATOM 1260 CG LYS A 76 24.666 34.830 29.615 1.00 0.00 C ATOM 1261 CD LYS A 76 23.402 35.596 29.213 1.00 0.00 C ATOM 1262 CE LYS A 76 22.290 34.656 28.728 1.00 0.00 C ATOM 1263 NZ LYS A 76 21.011 35.363 28.486 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.501 35.944 31.662 1.00 0.00 H new ATOM 0 HA LYS A 76 22.980 34.730 32.039 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.466 33.364 30.970 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.797 33.082 30.517 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.443 35.553 29.864 1.00 0.00 H new ATOM 0 HG3 LYS A 76 25.018 34.268 28.750 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.042 36.174 30.064 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.645 36.308 28.424 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.609 34.166 27.808 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.133 33.872 29.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.295 34.683 28.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.689 35.809 29.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.150 36.094 27.759 1.00 0.00 H new ATOM 1277 N LEU A 77 25.463 33.495 33.844 1.00 0.00 N ATOM 1278 CA LEU A 77 25.807 32.685 35.019 1.00 0.00 C ATOM 1279 C LEU A 77 25.072 33.139 36.292 1.00 0.00 C ATOM 1280 O LEU A 77 24.704 32.298 37.104 1.00 0.00 O ATOM 1281 CB LEU A 77 27.323 32.665 35.288 1.00 0.00 C ATOM 1282 CG LEU A 77 28.251 32.467 34.079 1.00 0.00 C ATOM 1283 CD1 LEU A 77 29.701 32.398 34.552 1.00 0.00 C ATOM 1284 CD2 LEU A 77 27.943 31.253 33.210 1.00 0.00 C ATOM 0 H LEU A 77 26.251 34.036 33.489 1.00 0.00 H new ATOM 0 HA LEU A 77 25.477 31.675 34.775 1.00 0.00 H new ATOM 0 HB2 LEU A 77 27.592 33.605 35.770 1.00 0.00 H new ATOM 0 HB3 LEU A 77 27.528 31.869 36.004 1.00 0.00 H new ATOM 0 HG LEU A 77 28.076 33.332 33.440 1.00 0.00 H new ATOM 0 HD11 LEU A 77 30.358 32.258 33.693 1.00 0.00 H new ATOM 0 HD12 LEU A 77 29.962 33.326 35.061 1.00 0.00 H new ATOM 0 HD13 LEU A 77 29.820 31.561 35.240 1.00 0.00 H new ATOM 0 HD21 LEU A 77 28.655 31.205 32.386 1.00 0.00 H new ATOM 0 HD22 LEU A 77 28.022 30.347 33.810 1.00 0.00 H new ATOM 0 HD23 LEU A 77 26.932 31.338 32.812 1.00 0.00 H new