USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 692 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 72 CYS SG : rot 144:sc= 1.11 USER MOD Set 1.2: A 75 CYS SG : rot -63:sc= -1.93 USER MOD Set 1.3: A 98 CYS SG : rot -138:sc= 0.309 USER MOD Set 1.4: A 101 CYS SG : rot 148:sc= -1.63 USER MOD Set 2.1: A 57 CYS SG : rot 172:sc= 0.678 USER MOD Set 2.2: A 60 CYS SG : rot -53:sc= -0.932 USER MOD Set 2.3: A 80 HIS : no HE2:sc= -7.09! C(o=-6.4!,f=-4.3!) USER MOD Set 2.4: A 83 CYS SG : rot 58:sc= 0.969 USER MOD Set 3.1: A 25 CYS SG : rot 148:sc= 1.21 USER MOD Set 3.2: A 28 CYS SG : rot -60:sc= -0.373 USER MOD Set 3.3: A 51 CYS SG : rot -140:sc= -0.206 USER MOD Set 3.4: A 54 CYS SG : rot 118:sc= -2.63 USER MOD Set 4.1: A 10 CYS SG : rot -171:sc= 0.481 USER MOD Set 4.2: A 13 CYS SG : rot 180:sc= -1.82 USER MOD Set 4.3: A 22 GLN : amide:sc= -6.54! C(o=-12!,f=-12!) USER MOD Set 4.4: A 33 HIS : no HD1:sc= -2.84! K(o=-12!,f=-11) USER MOD Set 4.5: A 36 CYS SG : rot 126:sc= -1.06 USER MOD Single : A 9 ASN : amide:sc= -0.0803 K(o=-0.08,f=-1.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 31 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-3.9!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 13:sc= -1.52 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 1.77 (180deg=1.31) USER MOD Single : A 50 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -147:sc= -0.446 (180deg=-1.17) USER MOD Single : A 58 GLN : amide:sc= 0.34 X(o=0.34,f=-0.005) USER MOD Single : A 59 ASN : amide:sc= -2.16 K(o=-2.2,f=-0.62) USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00568) USER MOD Single : A 62 GLN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 63 SER OG : rot 9:sc= 0.268! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -0.123 (180deg=-0.624) USER MOD Single : A 69 MET CE :methyl -139:sc= -0.327 (180deg=-3.21!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 88 MET CE :methyl -111:sc= -0.729 (180deg=-3.98!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -3.44 K(o=-3.4,f=-1.8) USER MOD Single : A 97 LYS NZ :NH3+ 139:sc= -0.24 (180deg=-1.86!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -2.17! C(o=-2.2!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -18.620 3.652 0.384 1.00 0.00 N ATOM 67 CA ALA A 8 -17.210 3.663 0.751 1.00 0.00 C ATOM 68 C ALA A 8 -16.968 2.867 2.029 1.00 0.00 C ATOM 69 O ALA A 8 -17.187 3.365 3.132 1.00 0.00 O ATOM 70 CB ALA A 8 -16.719 5.094 0.917 1.00 0.00 C ATOM 0 HA ALA A 8 -16.648 3.188 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.664 5.087 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.847 5.634 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.294 5.587 1.700 1.00 0.00 H new ATOM 76 N ASN A 9 -16.515 1.627 1.871 1.00 0.00 N ATOM 77 CA ASN A 9 -16.245 0.762 3.013 1.00 0.00 C ATOM 78 C ASN A 9 -14.880 0.093 2.879 1.00 0.00 C ATOM 79 O ASN A 9 -14.189 0.266 1.874 1.00 0.00 O ATOM 80 CB ASN A 9 -17.336 -0.303 3.142 1.00 0.00 C ATOM 81 CG ASN A 9 -18.589 0.231 3.810 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.549 1.242 4.511 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.709 -0.449 3.594 1.00 0.00 N ATOM 0 H ASN A 9 -16.328 1.200 0.964 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.241 1.380 3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.589 -0.682 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.952 -1.145 3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.584 -0.138 4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.694 -1.282 3.005 1.00 0.00 H new ATOM 90 N CYS A 10 -14.499 -0.671 3.897 1.00 0.00 N ATOM 91 CA CYS A 10 -13.217 -1.366 3.893 1.00 0.00 C ATOM 92 C CYS A 10 -13.220 -2.508 2.881 1.00 0.00 C ATOM 93 O CYS A 10 -14.192 -3.256 2.778 1.00 0.00 O ATOM 94 CB CYS A 10 -12.903 -1.907 5.289 1.00 0.00 C ATOM 95 SG CYS A 10 -11.214 -2.564 5.470 1.00 0.00 S ATOM 0 H CYS A 10 -15.060 -0.825 4.735 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.445 -0.652 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.051 -1.110 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.616 -2.696 5.530 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.103 -3.167 6.616 1.00 0.00 H new ATOM 100 N ALA A 11 -12.126 -2.636 2.138 1.00 0.00 N ATOM 101 CA ALA A 11 -12.002 -3.687 1.136 1.00 0.00 C ATOM 102 C ALA A 11 -11.466 -4.974 1.755 1.00 0.00 C ATOM 103 O ALA A 11 -11.197 -5.948 1.051 1.00 0.00 O ATOM 104 CB ALA A 11 -11.099 -3.230 0.000 1.00 0.00 C ATOM 0 H ALA A 11 -11.313 -2.025 2.211 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.995 -3.892 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.016 -4.025 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.524 -2.342 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.110 -2.995 0.393 1.00 0.00 H new ATOM 110 N VAL A 12 -11.313 -4.971 3.075 1.00 0.00 N ATOM 111 CA VAL A 12 -10.810 -6.139 3.789 1.00 0.00 C ATOM 112 C VAL A 12 -11.880 -6.730 4.699 1.00 0.00 C ATOM 113 O VAL A 12 -12.213 -7.912 4.599 1.00 0.00 O ATOM 114 CB VAL A 12 -9.570 -5.789 4.633 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.129 -6.989 5.457 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.439 -5.301 3.741 1.00 0.00 C ATOM 0 H VAL A 12 -11.530 -4.173 3.672 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.532 -6.875 3.035 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.835 -4.984 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.252 -6.723 6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.937 -7.289 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.882 -7.816 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.571 -5.058 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.174 -6.083 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.761 -4.412 3.199 1.00 0.00 H new ATOM 126 N CYS A 13 -12.418 -5.901 5.587 1.00 0.00 N ATOM 127 CA CYS A 13 -13.452 -6.341 6.517 1.00 0.00 C ATOM 128 C CYS A 13 -14.840 -5.978 5.997 1.00 0.00 C ATOM 129 O CYS A 13 -15.831 -6.624 6.340 1.00 0.00 O ATOM 130 CB CYS A 13 -13.230 -5.712 7.894 1.00 0.00 C ATOM 131 SG CYS A 13 -13.574 -3.924 7.958 1.00 0.00 S ATOM 0 H CYS A 13 -12.155 -4.920 5.683 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.389 -7.425 6.606 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.865 -6.220 8.620 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.197 -5.884 8.198 1.00 0.00 H new ATOM 0 HG CYS A 13 -13.360 -3.484 9.162 1.00 0.00 H new ATOM 136 N ASP A 14 -14.903 -4.941 5.169 1.00 0.00 N ATOM 137 CA ASP A 14 -16.169 -4.493 4.600 1.00 0.00 C ATOM 138 C ASP A 14 -17.044 -3.843 5.668 1.00 0.00 C ATOM 139 O ASP A 14 -18.231 -4.148 5.782 1.00 0.00 O ATOM 140 CB ASP A 14 -16.911 -5.668 3.962 1.00 0.00 C ATOM 141 CG ASP A 14 -16.034 -6.458 3.010 1.00 0.00 C ATOM 142 OD1 ASP A 14 -15.258 -5.831 2.258 1.00 0.00 O ATOM 143 OD2 ASP A 14 -16.122 -7.703 3.018 1.00 0.00 O ATOM 0 H ASP A 14 -14.093 -4.395 4.877 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.951 -3.751 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.280 -6.330 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.782 -5.295 3.424 1.00 0.00 H new ATOM 148 N SER A 15 -16.449 -2.945 6.448 1.00 0.00 N ATOM 149 CA SER A 15 -17.173 -2.256 7.509 1.00 0.00 C ATOM 150 C SER A 15 -16.804 -0.776 7.545 1.00 0.00 C ATOM 151 O SER A 15 -15.691 -0.379 7.200 1.00 0.00 O ATOM 152 CB SER A 15 -16.873 -2.901 8.863 1.00 0.00 C ATOM 153 OG SER A 15 -17.425 -4.204 8.940 1.00 0.00 O ATOM 0 H SER A 15 -15.468 -2.678 6.365 1.00 0.00 H new ATOM 0 HA SER A 15 -18.240 -2.342 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.795 -2.950 9.015 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.280 -2.282 9.663 1.00 0.00 H new ATOM 0 HG SER A 15 -17.218 -4.596 9.814 1.00 0.00 H new ATOM 159 N PRO A 16 -17.760 0.061 7.975 1.00 0.00 N ATOM 160 CA PRO A 16 -17.560 1.510 8.068 1.00 0.00 C ATOM 161 C PRO A 16 -16.589 1.891 9.181 1.00 0.00 C ATOM 162 O PRO A 16 -15.630 2.629 8.956 1.00 0.00 O ATOM 163 CB PRO A 16 -18.961 2.043 8.375 1.00 0.00 C ATOM 164 CG PRO A 16 -19.663 0.906 9.033 1.00 0.00 C ATOM 165 CD PRO A 16 -19.110 -0.343 8.403 1.00 0.00 C ATOM 0 HA PRO A 16 -17.123 1.920 7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.919 2.914 9.029 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.475 2.352 7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.489 0.910 10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.741 0.974 8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.076 -1.170 9.112 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.718 -0.671 7.560 1.00 0.00 H new ATOM 173 N GLY A 17 -16.845 1.383 10.382 1.00 0.00 N ATOM 174 CA GLY A 17 -15.985 1.682 11.512 1.00 0.00 C ATOM 175 C GLY A 17 -15.358 3.058 11.416 1.00 0.00 C ATOM 176 O GLY A 17 -16.056 4.071 11.467 1.00 0.00 O ATOM 0 H GLY A 17 -17.632 0.770 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.564 1.614 12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.197 0.931 11.574 1.00 0.00 H new ATOM 180 N ASP A 18 -14.037 3.097 11.278 1.00 0.00 N ATOM 181 CA ASP A 18 -13.315 4.360 11.175 1.00 0.00 C ATOM 182 C ASP A 18 -13.112 4.752 9.715 1.00 0.00 C ATOM 183 O ASP A 18 -12.703 3.931 8.892 1.00 0.00 O ATOM 184 CB ASP A 18 -11.963 4.258 11.883 1.00 0.00 C ATOM 185 CG ASP A 18 -12.059 4.574 13.362 1.00 0.00 C ATOM 186 OD1 ASP A 18 -12.448 5.711 13.702 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.743 3.685 14.181 1.00 0.00 O ATOM 0 H ASP A 18 -13.444 2.268 11.235 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.912 5.133 11.660 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.564 3.252 11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.257 4.943 11.413 1.00 0.00 H new ATOM 192 N LEU A 19 -13.399 6.010 9.400 1.00 0.00 N ATOM 193 CA LEU A 19 -13.248 6.511 8.038 1.00 0.00 C ATOM 194 C LEU A 19 -11.899 7.198 7.858 1.00 0.00 C ATOM 195 O LEU A 19 -11.194 6.958 6.876 1.00 0.00 O ATOM 196 CB LEU A 19 -14.379 7.486 7.705 1.00 0.00 C ATOM 197 CG LEU A 19 -15.710 6.856 7.296 1.00 0.00 C ATOM 198 CD1 LEU A 19 -15.572 6.134 5.964 1.00 0.00 C ATOM 199 CD2 LEU A 19 -16.202 5.901 8.374 1.00 0.00 C ATOM 0 H LEU A 19 -13.737 6.702 10.069 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.296 5.662 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.552 8.120 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.045 8.137 6.897 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.446 7.652 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.530 5.692 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.266 6.844 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.821 5.348 6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.151 5.462 8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.467 5.110 8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.341 6.446 9.307 1.00 0.00 H new ATOM 211 N LEU A 20 -11.543 8.052 8.811 1.00 0.00 N ATOM 212 CA LEU A 20 -10.276 8.773 8.759 1.00 0.00 C ATOM 213 C LEU A 20 -9.106 7.839 9.052 1.00 0.00 C ATOM 214 O LEU A 20 -8.161 7.747 8.268 1.00 0.00 O ATOM 215 CB LEU A 20 -10.283 9.930 9.759 1.00 0.00 C ATOM 216 CG LEU A 20 -10.957 11.219 9.290 1.00 0.00 C ATOM 217 CD1 LEU A 20 -12.459 11.018 9.155 1.00 0.00 C ATOM 218 CD2 LEU A 20 -10.655 12.360 10.250 1.00 0.00 C ATOM 0 H LEU A 20 -12.114 8.262 9.630 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.155 9.173 7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.780 9.594 10.669 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.251 10.159 10.026 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.556 11.479 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.922 11.946 8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.657 10.231 8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.876 10.732 10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.143 13.269 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.027 12.108 11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.578 12.521 10.296 1.00 0.00 H new ATOM 230 N ASP A 21 -9.177 7.147 10.183 1.00 0.00 N ATOM 231 CA ASP A 21 -8.125 6.218 10.578 1.00 0.00 C ATOM 232 C ASP A 21 -7.649 5.396 9.384 1.00 0.00 C ATOM 233 O ASP A 21 -6.448 5.237 9.168 1.00 0.00 O ATOM 234 CB ASP A 21 -8.626 5.289 11.686 1.00 0.00 C ATOM 235 CG ASP A 21 -7.496 4.553 12.379 1.00 0.00 C ATOM 236 OD1 ASP A 21 -6.504 5.211 12.758 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.603 3.320 12.542 1.00 0.00 O ATOM 0 H ASP A 21 -9.952 7.212 10.843 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.283 6.799 10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.181 5.872 12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.322 4.565 11.262 1.00 0.00 H new ATOM 242 N GLN A 22 -8.600 4.876 8.614 1.00 0.00 N ATOM 243 CA GLN A 22 -8.277 4.069 7.443 1.00 0.00 C ATOM 244 C GLN A 22 -7.691 4.933 6.331 1.00 0.00 C ATOM 245 O GLN A 22 -8.264 5.958 5.962 1.00 0.00 O ATOM 246 CB GLN A 22 -9.525 3.343 6.938 1.00 0.00 C ATOM 247 CG GLN A 22 -10.711 4.264 6.703 1.00 0.00 C ATOM 248 CD GLN A 22 -11.914 3.533 6.140 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.987 2.305 6.186 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.868 4.287 5.605 1.00 0.00 N ATOM 0 H GLN A 22 -9.599 4.999 8.780 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.530 3.331 7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.285 2.829 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.808 2.578 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.988 4.741 7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.419 5.058 6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.767 5.302 5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.702 3.851 5.211 1.00 0.00 H new ATOM 259 N PHE A 23 -6.548 4.512 5.802 1.00 0.00 N ATOM 260 CA PHE A 23 -5.884 5.249 4.732 1.00 0.00 C ATOM 261 C PHE A 23 -6.725 5.235 3.459 1.00 0.00 C ATOM 262 O PHE A 23 -7.503 4.310 3.226 1.00 0.00 O ATOM 263 CB PHE A 23 -4.504 4.650 4.452 1.00 0.00 C ATOM 264 CG PHE A 23 -3.668 4.467 5.686 1.00 0.00 C ATOM 265 CD1 PHE A 23 -3.828 3.349 6.489 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.721 5.413 6.044 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.061 3.180 7.626 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.950 5.249 7.179 1.00 0.00 C ATOM 269 CZ PHE A 23 -2.120 4.130 7.971 1.00 0.00 C ATOM 0 H PHE A 23 -6.062 3.665 6.096 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.765 6.283 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.629 3.685 3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.971 5.296 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.561 2.601 6.223 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.584 6.290 5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.197 2.305 8.245 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.216 5.994 7.446 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.518 3.998 8.858 1.00 0.00 H new ATOM 279 N PHE A 24 -6.563 6.268 2.639 1.00 0.00 N ATOM 280 CA PHE A 24 -7.308 6.376 1.390 1.00 0.00 C ATOM 281 C PHE A 24 -6.361 6.407 0.193 1.00 0.00 C ATOM 282 O PHE A 24 -5.508 7.289 0.085 1.00 0.00 O ATOM 283 CB PHE A 24 -8.179 7.634 1.399 1.00 0.00 C ATOM 284 CG PHE A 24 -8.723 7.996 0.046 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.601 7.149 -0.611 1.00 0.00 C ATOM 286 CD2 PHE A 24 -8.356 9.182 -0.569 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.104 7.479 -1.855 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.856 9.517 -1.812 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.730 8.664 -2.457 1.00 0.00 C ATOM 0 H PHE A 24 -5.923 7.042 2.817 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.949 5.499 1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.010 7.486 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.593 8.470 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.896 6.220 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.671 9.852 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.789 6.811 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.564 10.446 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.120 8.923 -3.430 1.00 0.00 H new ATOM 299 N CYS A 25 -6.518 5.439 -0.702 1.00 0.00 N ATOM 300 CA CYS A 25 -5.678 5.353 -1.891 1.00 0.00 C ATOM 301 C CYS A 25 -6.025 6.458 -2.884 1.00 0.00 C ATOM 302 O CYS A 25 -7.130 7.002 -2.864 1.00 0.00 O ATOM 303 CB CYS A 25 -5.840 3.985 -2.557 1.00 0.00 C ATOM 304 SG CYS A 25 -4.549 3.598 -3.783 1.00 0.00 S ATOM 0 H CYS A 25 -7.219 4.702 -0.627 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.640 5.479 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.837 3.215 -1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.814 3.943 -3.045 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.326 2.317 -3.789 1.00 0.00 H new ATOM 309 N THR A 26 -5.074 6.787 -3.752 1.00 0.00 N ATOM 310 CA THR A 26 -5.277 7.828 -4.751 1.00 0.00 C ATOM 311 C THR A 26 -5.558 7.226 -6.123 1.00 0.00 C ATOM 312 O THR A 26 -6.283 7.806 -6.932 1.00 0.00 O ATOM 313 CB THR A 26 -4.053 8.758 -4.852 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.867 7.984 -5.066 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.901 9.591 -3.589 1.00 0.00 C ATOM 0 H THR A 26 -4.154 6.347 -3.783 1.00 0.00 H new ATOM 0 HA THR A 26 -6.140 8.410 -4.429 1.00 0.00 H new ATOM 0 HB THR A 26 -4.204 9.432 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.093 8.582 -5.131 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.030 10.240 -3.684 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.793 10.200 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.770 8.931 -2.731 1.00 0.00 H new ATOM 323 N THR A 27 -4.980 6.057 -6.381 1.00 0.00 N ATOM 324 CA THR A 27 -5.167 5.375 -7.655 1.00 0.00 C ATOM 325 C THR A 27 -6.566 4.777 -7.758 1.00 0.00 C ATOM 326 O THR A 27 -7.352 5.156 -8.627 1.00 0.00 O ATOM 327 CB THR A 27 -4.127 4.256 -7.853 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.804 4.802 -7.797 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.335 3.554 -9.186 1.00 0.00 C ATOM 0 H THR A 27 -4.378 5.562 -5.723 1.00 0.00 H new ATOM 0 HA THR A 27 -5.036 6.124 -8.436 1.00 0.00 H new ATOM 0 HB THR A 27 -4.253 3.527 -7.053 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.148 4.084 -7.922 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.589 2.768 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.332 3.115 -9.214 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.233 4.275 -9.997 1.00 0.00 H new ATOM 337 N CYS A 28 -6.871 3.841 -6.866 1.00 0.00 N ATOM 338 CA CYS A 28 -8.175 3.189 -6.856 1.00 0.00 C ATOM 339 C CYS A 28 -9.189 4.015 -6.069 1.00 0.00 C ATOM 340 O CYS A 28 -10.315 4.225 -6.516 1.00 0.00 O ATOM 341 CB CYS A 28 -8.064 1.788 -6.253 1.00 0.00 C ATOM 342 SG CYS A 28 -7.628 1.772 -4.484 1.00 0.00 S ATOM 0 H CYS A 28 -6.232 3.517 -6.140 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.520 3.107 -7.887 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.014 1.270 -6.387 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.313 1.224 -6.806 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.473 2.344 -4.317 1.00 0.00 H new ATOM 347 N GLY A 29 -8.779 4.480 -4.892 1.00 0.00 N ATOM 348 CA GLY A 29 -9.663 5.277 -4.061 1.00 0.00 C ATOM 349 C GLY A 29 -10.442 4.435 -3.070 1.00 0.00 C ATOM 350 O GLY A 29 -11.627 4.673 -2.842 1.00 0.00 O ATOM 0 H GLY A 29 -7.851 4.319 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.077 6.020 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.360 5.823 -4.697 1.00 0.00 H new ATOM 354 N GLN A 30 -9.774 3.448 -2.481 1.00 0.00 N ATOM 355 CA GLN A 30 -10.413 2.567 -1.511 1.00 0.00 C ATOM 356 C GLN A 30 -10.052 2.974 -0.086 1.00 0.00 C ATOM 357 O GLN A 30 -9.307 3.930 0.128 1.00 0.00 O ATOM 358 CB GLN A 30 -10.001 1.115 -1.759 1.00 0.00 C ATOM 359 CG GLN A 30 -10.715 0.473 -2.937 1.00 0.00 C ATOM 360 CD GLN A 30 -11.950 -0.301 -2.519 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.009 -1.523 -2.660 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.946 0.409 -2.002 1.00 0.00 N ATOM 0 H GLN A 30 -8.792 3.239 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.492 2.656 -1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.925 1.076 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.201 0.531 -0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.000 1.247 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.027 -0.198 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.854 1.420 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.803 -0.057 -1.703 1.00 0.00 H new ATOM 371 N HIS A 31 -10.586 2.242 0.887 1.00 0.00 N ATOM 372 CA HIS A 31 -10.320 2.527 2.292 1.00 0.00 C ATOM 373 C HIS A 31 -9.867 1.267 3.025 1.00 0.00 C ATOM 374 O HIS A 31 -10.398 0.180 2.798 1.00 0.00 O ATOM 375 CB HIS A 31 -11.568 3.101 2.963 1.00 0.00 C ATOM 376 CG HIS A 31 -12.351 4.024 2.081 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.587 5.345 2.395 1.00 0.00 N ATOM 378 CD2 HIS A 31 -12.953 3.809 0.888 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.301 5.903 1.434 1.00 0.00 C ATOM 380 NE2 HIS A 31 -13.537 4.992 0.507 1.00 0.00 N ATOM 0 H HIS A 31 -11.205 1.447 0.728 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.518 3.264 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.212 2.280 3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.272 3.637 3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.971 2.880 0.338 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.635 6.930 1.410 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -14.067 5.143 -0.352 1.00 0.00 H new ATOM 389 N TYR A 32 -8.884 1.422 3.905 1.00 0.00 N ATOM 390 CA TYR A 32 -8.358 0.297 4.669 1.00 0.00 C ATOM 391 C TYR A 32 -7.984 0.727 6.084 1.00 0.00 C ATOM 392 O TYR A 32 -7.199 1.656 6.277 1.00 0.00 O ATOM 393 CB TYR A 32 -7.137 -0.298 3.966 1.00 0.00 C ATOM 394 CG TYR A 32 -7.431 -0.813 2.575 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.426 0.043 1.480 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.712 -2.156 2.355 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.695 -0.423 0.208 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.980 -2.631 1.086 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.971 -1.761 0.016 1.00 0.00 C ATOM 400 OH TYR A 32 -8.237 -2.229 -1.250 1.00 0.00 O ATOM 0 H TYR A 32 -8.435 2.316 4.107 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.138 -0.462 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.357 0.461 3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.742 -1.114 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.208 1.091 1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.721 -2.840 3.191 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.689 0.256 -0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.195 -3.678 0.933 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.410 -3.193 -1.213 1.00 0.00 H new ATOM 410 N HIS A 33 -8.553 0.044 7.073 1.00 0.00 N ATOM 411 CA HIS A 33 -8.279 0.353 8.472 1.00 0.00 C ATOM 412 C HIS A 33 -6.856 -0.046 8.848 1.00 0.00 C ATOM 413 O HIS A 33 -6.306 -1.005 8.308 1.00 0.00 O ATOM 414 CB HIS A 33 -9.279 -0.364 9.379 1.00 0.00 C ATOM 415 CG HIS A 33 -10.709 -0.125 9.003 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.578 -1.141 8.665 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.420 1.023 8.913 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.762 -0.628 8.382 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.693 0.684 8.526 1.00 0.00 N ATOM 0 H HIS A 33 -9.206 -0.727 6.931 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.383 1.429 8.608 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.079 -1.435 9.351 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.123 -0.037 10.407 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.054 2.020 9.109 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.637 -1.186 8.084 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.461 1.338 8.374 1.00 0.00 H new ATOM 427 N GLY A 34 -6.263 0.698 9.778 1.00 0.00 N ATOM 428 CA GLY A 34 -4.909 0.407 10.209 1.00 0.00 C ATOM 429 C GLY A 34 -4.767 -0.996 10.767 1.00 0.00 C ATOM 430 O GLY A 34 -3.721 -1.627 10.619 1.00 0.00 O ATOM 0 H GLY A 34 -6.697 1.497 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.228 0.530 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.610 1.129 10.969 1.00 0.00 H new ATOM 434 N MET A 35 -5.822 -1.484 11.411 1.00 0.00 N ATOM 435 CA MET A 35 -5.809 -2.821 11.993 1.00 0.00 C ATOM 436 C MET A 35 -5.981 -3.886 10.914 1.00 0.00 C ATOM 437 O MET A 35 -5.241 -4.870 10.876 1.00 0.00 O ATOM 438 CB MET A 35 -6.918 -2.956 13.039 1.00 0.00 C ATOM 439 CG MET A 35 -6.624 -3.998 14.106 1.00 0.00 C ATOM 440 SD MET A 35 -6.187 -5.602 13.408 1.00 0.00 S ATOM 441 CE MET A 35 -4.496 -5.769 13.975 1.00 0.00 C ATOM 0 H MET A 35 -6.696 -0.974 11.543 1.00 0.00 H new ATOM 0 HA MET A 35 -4.843 -2.970 12.476 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.073 -1.990 13.519 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.850 -3.215 12.537 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.808 -3.646 14.737 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.497 -4.111 14.748 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.086 -6.715 13.622 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.898 -4.946 13.584 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.474 -5.747 15.065 1.00 0.00 H new ATOM 451 N CYS A 36 -6.960 -3.683 10.039 1.00 0.00 N ATOM 452 CA CYS A 36 -7.229 -4.625 8.959 1.00 0.00 C ATOM 453 C CYS A 36 -5.965 -4.901 8.151 1.00 0.00 C ATOM 454 O CYS A 36 -5.737 -6.024 7.698 1.00 0.00 O ATOM 455 CB CYS A 36 -8.326 -4.081 8.042 1.00 0.00 C ATOM 456 SG CYS A 36 -10.016 -4.503 8.573 1.00 0.00 S ATOM 0 H CYS A 36 -7.581 -2.874 10.057 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.567 -5.562 9.402 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.234 -2.996 7.987 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.166 -4.466 7.035 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.726 -3.418 8.664 1.00 0.00 H new ATOM 461 N LEU A 37 -5.145 -3.871 7.974 1.00 0.00 N ATOM 462 CA LEU A 37 -3.903 -4.001 7.220 1.00 0.00 C ATOM 463 C LEU A 37 -2.726 -4.269 8.153 1.00 0.00 C ATOM 464 O LEU A 37 -1.700 -4.805 7.735 1.00 0.00 O ATOM 465 CB LEU A 37 -3.643 -2.734 6.403 1.00 0.00 C ATOM 466 CG LEU A 37 -4.178 -2.738 4.971 1.00 0.00 C ATOM 467 CD1 LEU A 37 -3.958 -1.383 4.316 1.00 0.00 C ATOM 468 CD2 LEU A 37 -3.515 -3.840 4.157 1.00 0.00 C ATOM 0 H LEU A 37 -5.318 -2.936 8.343 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.006 -4.848 6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.083 -1.888 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.567 -2.563 6.367 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.250 -2.933 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.345 -1.404 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.479 -0.614 4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.892 -1.158 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.908 -3.828 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.438 -3.676 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.724 -4.807 4.615 1.00 0.00 H new ATOM 480 N ASP A 38 -2.883 -3.895 9.418 1.00 0.00 N ATOM 481 CA ASP A 38 -1.835 -4.098 10.411 1.00 0.00 C ATOM 482 C ASP A 38 -0.705 -3.091 10.222 1.00 0.00 C ATOM 483 O ASP A 38 0.473 -3.442 10.301 1.00 0.00 O ATOM 484 CB ASP A 38 -1.285 -5.522 10.320 1.00 0.00 C ATOM 485 CG ASP A 38 -2.367 -6.543 10.024 1.00 0.00 C ATOM 486 OD1 ASP A 38 -3.021 -7.009 10.981 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.561 -6.874 8.836 1.00 0.00 O ATOM 0 H ASP A 38 -3.726 -3.450 9.780 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.271 -3.947 11.399 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.525 -5.566 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.794 -5.779 11.258 1.00 0.00 H new ATOM 492 N ILE A 39 -1.072 -1.838 9.971 1.00 0.00 N ATOM 493 CA ILE A 39 -0.089 -0.781 9.771 1.00 0.00 C ATOM 494 C ILE A 39 -0.104 0.210 10.930 1.00 0.00 C ATOM 495 O ILE A 39 -1.142 0.441 11.548 1.00 0.00 O ATOM 496 CB ILE A 39 -0.341 -0.020 8.456 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.392 -0.996 7.278 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.740 1.028 8.235 1.00 0.00 C ATOM 499 CD1 ILE A 39 -0.893 -0.369 5.996 1.00 0.00 C ATOM 0 H ILE A 39 -2.042 -1.531 9.902 1.00 0.00 H new ATOM 0 HA ILE A 39 0.887 -1.263 9.721 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.303 0.487 8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.606 -1.402 7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.037 -1.835 7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.548 1.557 7.302 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.734 1.737 9.063 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.714 0.541 8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.903 -1.118 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.903 0.012 6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.235 0.452 5.711 1.00 0.00 H new ATOM 511 N ALA A 40 1.055 0.795 11.216 1.00 0.00 N ATOM 512 CA ALA A 40 1.174 1.765 12.298 1.00 0.00 C ATOM 513 C ALA A 40 0.849 3.173 11.811 1.00 0.00 C ATOM 514 O ALA A 40 1.698 3.852 11.234 1.00 0.00 O ATOM 515 CB ALA A 40 2.573 1.720 12.895 1.00 0.00 C ATOM 0 H ALA A 40 1.924 0.614 10.714 1.00 0.00 H new ATOM 0 HA ALA A 40 0.452 1.501 13.071 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.648 2.449 13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.769 0.722 13.288 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.306 1.956 12.123 1.00 0.00 H new ATOM 521 N VAL A 41 -0.386 3.605 12.047 1.00 0.00 N ATOM 522 CA VAL A 41 -0.822 4.933 11.632 1.00 0.00 C ATOM 523 C VAL A 41 0.206 5.993 12.011 1.00 0.00 C ATOM 524 O VAL A 41 0.408 6.285 13.190 1.00 0.00 O ATOM 525 CB VAL A 41 -2.178 5.301 12.264 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.603 6.698 11.841 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.237 4.275 11.886 1.00 0.00 C ATOM 0 H VAL A 41 -1.101 3.055 12.523 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.929 4.906 10.548 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.068 5.294 13.348 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.563 6.940 12.297 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.854 7.420 12.166 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.697 6.737 10.756 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.189 4.550 12.341 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.347 4.248 10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.935 3.291 12.244 1.00 0.00 H new ATOM 537 N THR A 42 0.855 6.568 11.003 1.00 0.00 N ATOM 538 CA THR A 42 1.863 7.595 11.229 1.00 0.00 C ATOM 539 C THR A 42 1.538 8.865 10.452 1.00 0.00 C ATOM 540 O THR A 42 0.862 8.837 9.424 1.00 0.00 O ATOM 541 CB THR A 42 3.266 7.104 10.824 1.00 0.00 C ATOM 542 OG1 THR A 42 3.240 6.594 9.487 1.00 0.00 O ATOM 543 CG2 THR A 42 3.756 6.022 11.775 1.00 0.00 C ATOM 0 H THR A 42 0.700 6.339 10.021 1.00 0.00 H new ATOM 0 HA THR A 42 1.857 7.814 12.297 1.00 0.00 H new ATOM 0 HB THR A 42 3.952 7.950 10.876 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.400 6.854 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.748 5.691 11.469 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.803 6.422 12.788 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.068 5.177 11.750 1.00 0.00 H new ATOM 551 N PRO A 43 2.030 10.008 10.952 1.00 0.00 N ATOM 552 CA PRO A 43 1.805 11.311 10.319 1.00 0.00 C ATOM 553 C PRO A 43 2.556 11.451 8.999 1.00 0.00 C ATOM 554 O PRO A 43 2.537 12.511 8.372 1.00 0.00 O ATOM 555 CB PRO A 43 2.347 12.305 11.350 1.00 0.00 C ATOM 556 CG PRO A 43 3.354 11.531 12.129 1.00 0.00 C ATOM 557 CD PRO A 43 2.845 10.117 12.174 1.00 0.00 C ATOM 0 HA PRO A 43 0.756 11.466 10.068 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.800 13.170 10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.552 12.681 11.994 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.334 11.578 11.655 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.466 11.938 13.134 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.662 9.396 12.177 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.252 9.932 13.070 1.00 0.00 H new ATOM 565 N LEU A 44 3.215 10.376 8.582 1.00 0.00 N ATOM 566 CA LEU A 44 3.972 10.379 7.335 1.00 0.00 C ATOM 567 C LEU A 44 3.221 9.627 6.240 1.00 0.00 C ATOM 568 O LEU A 44 3.128 10.091 5.104 1.00 0.00 O ATOM 569 CB LEU A 44 5.349 9.750 7.550 1.00 0.00 C ATOM 570 CG LEU A 44 6.277 9.733 6.334 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.019 11.055 6.211 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.259 8.574 6.428 1.00 0.00 C ATOM 0 H LEU A 44 3.241 9.491 9.089 1.00 0.00 H new ATOM 0 HA LEU A 44 4.098 11.414 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.849 10.286 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.208 8.724 7.889 1.00 0.00 H new ATOM 0 HG LEU A 44 5.670 9.596 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.674 11.025 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.300 11.866 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.615 11.223 7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.911 8.578 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.861 8.679 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.709 7.634 6.466 1.00 0.00 H new ATOM 584 N LYS A 45 2.686 8.462 6.591 1.00 0.00 N ATOM 585 CA LYS A 45 1.940 7.646 5.641 1.00 0.00 C ATOM 586 C LYS A 45 0.669 8.359 5.191 1.00 0.00 C ATOM 587 O LYS A 45 0.428 8.523 3.995 1.00 0.00 O ATOM 588 CB LYS A 45 1.585 6.295 6.267 1.00 0.00 C ATOM 589 CG LYS A 45 2.798 5.450 6.618 1.00 0.00 C ATOM 590 CD LYS A 45 2.401 4.188 7.365 1.00 0.00 C ATOM 591 CE LYS A 45 3.475 3.766 8.355 1.00 0.00 C ATOM 592 NZ LYS A 45 4.442 2.809 7.750 1.00 0.00 N ATOM 0 H LYS A 45 2.755 8.062 7.527 1.00 0.00 H new ATOM 0 HA LYS A 45 2.571 7.481 4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.998 6.465 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.953 5.738 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.332 5.182 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.485 6.035 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.463 4.357 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.225 3.382 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.010 4.648 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.006 3.307 9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.019 2.378 8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.922 2.065 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.061 3.315 7.085 1.00 0.00 H new ATOM 606 N ARG A 46 -0.140 8.782 6.157 1.00 0.00 N ATOM 607 CA ARG A 46 -1.387 9.478 5.859 1.00 0.00 C ATOM 608 C ARG A 46 -1.257 10.303 4.582 1.00 0.00 C ATOM 609 O ARG A 46 -2.040 10.144 3.647 1.00 0.00 O ATOM 610 CB ARG A 46 -1.781 10.384 7.027 1.00 0.00 C ATOM 611 CG ARG A 46 -2.473 9.648 8.163 1.00 0.00 C ATOM 612 CD ARG A 46 -2.587 10.520 9.403 1.00 0.00 C ATOM 613 NE ARG A 46 -3.703 11.457 9.313 1.00 0.00 N ATOM 614 CZ ARG A 46 -4.911 11.213 9.810 1.00 0.00 C ATOM 615 NH1 ARG A 46 -5.157 10.067 10.430 1.00 0.00 N ATOM 616 NH2 ARG A 46 -5.875 12.116 9.688 1.00 0.00 N ATOM 0 H ARG A 46 0.045 8.655 7.152 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.166 8.730 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.887 10.873 7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.441 11.170 6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.467 9.336 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.917 8.742 8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.715 9.887 10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.659 11.074 9.543 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.547 12.348 8.843 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.418 9.370 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.085 9.882 10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.689 12.999 9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.802 11.927 10.070 1.00 0.00 H new ATOM 630 N ALA A 47 -0.263 11.185 4.552 1.00 0.00 N ATOM 631 CA ALA A 47 -0.030 12.033 3.390 1.00 0.00 C ATOM 632 C ALA A 47 0.648 11.254 2.268 1.00 0.00 C ATOM 633 O ALA A 47 1.720 10.682 2.456 1.00 0.00 O ATOM 634 CB ALA A 47 0.810 13.241 3.779 1.00 0.00 C ATOM 0 H ALA A 47 0.393 11.331 5.319 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.997 12.378 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.977 13.866 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.287 13.818 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.769 12.905 4.173 1.00 0.00 H new ATOM 640 N GLY A 48 0.013 11.235 1.100 1.00 0.00 N ATOM 641 CA GLY A 48 0.570 10.522 -0.035 1.00 0.00 C ATOM 642 C GLY A 48 0.690 9.033 0.219 1.00 0.00 C ATOM 643 O GLY A 48 1.770 8.458 0.078 1.00 0.00 O ATOM 0 H GLY A 48 -0.877 11.700 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.059 10.689 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.554 10.928 -0.268 1.00 0.00 H new ATOM 647 N TRP A 49 -0.419 8.407 0.594 1.00 0.00 N ATOM 648 CA TRP A 49 -0.432 6.974 0.870 1.00 0.00 C ATOM 649 C TRP A 49 -0.881 6.188 -0.356 1.00 0.00 C ATOM 650 O TRP A 49 -1.445 6.752 -1.293 1.00 0.00 O ATOM 651 CB TRP A 49 -1.354 6.670 2.052 1.00 0.00 C ATOM 652 CG TRP A 49 -1.451 5.208 2.369 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.504 4.438 2.981 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.555 4.342 2.088 1.00 0.00 C ATOM 655 NE1 TRP A 49 -0.953 3.144 3.097 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.209 3.060 2.557 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.804 4.525 1.487 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.067 1.969 2.443 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.654 3.441 1.374 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.283 2.177 1.850 1.00 0.00 C ATOM 0 H TRP A 49 -1.321 8.868 0.714 1.00 0.00 H new ATOM 0 HA TRP A 49 0.583 6.668 1.122 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.992 7.202 2.932 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.351 7.054 1.834 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.457 4.793 3.324 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.435 2.372 3.517 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.099 5.496 1.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.783 0.994 2.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.621 3.571 0.911 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.970 1.350 1.747 1.00 0.00 H new ATOM 671 N GLN A 50 -0.626 4.883 -0.343 1.00 0.00 N ATOM 672 CA GLN A 50 -1.005 4.021 -1.456 1.00 0.00 C ATOM 673 C GLN A 50 -1.307 2.607 -0.971 1.00 0.00 C ATOM 674 O GLN A 50 -0.591 2.061 -0.131 1.00 0.00 O ATOM 675 CB GLN A 50 0.110 3.985 -2.503 1.00 0.00 C ATOM 676 CG GLN A 50 -0.013 5.072 -3.559 1.00 0.00 C ATOM 677 CD GLN A 50 0.717 4.724 -4.842 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.734 5.333 -5.176 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.201 3.740 -5.569 1.00 0.00 N ATOM 0 H GLN A 50 -0.159 4.401 0.425 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.907 4.431 -1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.072 4.085 -2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.106 3.011 -2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.067 5.242 -3.780 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.384 6.006 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.644 3.262 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.649 3.462 -6.442 1.00 0.00 H new ATOM 688 N CYS A 51 -2.374 2.020 -1.503 1.00 0.00 N ATOM 689 CA CYS A 51 -2.773 0.670 -1.124 1.00 0.00 C ATOM 690 C CYS A 51 -1.877 -0.370 -1.792 1.00 0.00 C ATOM 691 O CYS A 51 -1.259 -0.120 -2.826 1.00 0.00 O ATOM 692 CB CYS A 51 -4.233 0.421 -1.506 1.00 0.00 C ATOM 693 SG CYS A 51 -4.475 -0.067 -3.244 1.00 0.00 S ATOM 0 H CYS A 51 -2.978 2.458 -2.198 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.666 0.576 -0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.638 -0.359 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.808 1.326 -1.311 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.531 0.525 -3.718 1.00 0.00 H new ATOM 698 N PRO A 52 -1.805 -1.565 -1.187 1.00 0.00 N ATOM 699 CA PRO A 52 -0.989 -2.667 -1.705 1.00 0.00 C ATOM 700 C PRO A 52 -1.552 -3.246 -2.998 1.00 0.00 C ATOM 701 O PRO A 52 -0.972 -4.161 -3.582 1.00 0.00 O ATOM 702 CB PRO A 52 -1.046 -3.708 -0.584 1.00 0.00 C ATOM 703 CG PRO A 52 -2.318 -3.421 0.136 1.00 0.00 C ATOM 704 CD PRO A 52 -2.516 -1.932 0.050 1.00 0.00 C ATOM 0 HA PRO A 52 0.022 -2.344 -1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.038 -4.722 -0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.187 -3.621 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.153 -3.953 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.261 -3.748 1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.573 -1.669 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.102 -1.420 0.919 1.00 0.00 H new ATOM 712 N GLU A 53 -2.683 -2.707 -3.440 1.00 0.00 N ATOM 713 CA GLU A 53 -3.323 -3.172 -4.665 1.00 0.00 C ATOM 714 C GLU A 53 -2.957 -2.275 -5.844 1.00 0.00 C ATOM 715 O GLU A 53 -3.063 -2.679 -7.003 1.00 0.00 O ATOM 716 CB GLU A 53 -4.843 -3.209 -4.491 1.00 0.00 C ATOM 717 CG GLU A 53 -5.293 -3.916 -3.223 1.00 0.00 C ATOM 718 CD GLU A 53 -5.555 -5.393 -3.441 1.00 0.00 C ATOM 719 OE1 GLU A 53 -4.667 -6.077 -3.992 1.00 0.00 O ATOM 720 OE2 GLU A 53 -6.646 -5.865 -3.061 1.00 0.00 O ATOM 0 H GLU A 53 -3.175 -1.948 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.964 -4.180 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.224 -2.188 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.287 -3.708 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.530 -3.796 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.200 -3.441 -2.849 1.00 0.00 H new ATOM 727 N CYS A 54 -2.527 -1.055 -5.541 1.00 0.00 N ATOM 728 CA CYS A 54 -2.146 -0.099 -6.574 1.00 0.00 C ATOM 729 C CYS A 54 -0.648 0.187 -6.524 1.00 0.00 C ATOM 730 O CYS A 54 -0.010 0.395 -7.556 1.00 0.00 O ATOM 731 CB CYS A 54 -2.930 1.204 -6.407 1.00 0.00 C ATOM 732 SG CYS A 54 -4.724 1.031 -6.672 1.00 0.00 S ATOM 0 H CYS A 54 -2.434 -0.705 -4.588 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.383 -0.536 -7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.758 1.593 -5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.540 1.943 -7.107 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.356 1.339 -5.578 1.00 0.00 H new ATOM 737 N LYS A 55 -0.092 0.194 -5.318 1.00 0.00 N ATOM 738 CA LYS A 55 1.331 0.452 -5.132 1.00 0.00 C ATOM 739 C LYS A 55 2.169 -0.444 -6.037 1.00 0.00 C ATOM 740 O LYS A 55 1.925 -1.647 -6.136 1.00 0.00 O ATOM 741 CB LYS A 55 1.724 0.229 -3.670 1.00 0.00 C ATOM 742 CG LYS A 55 3.217 0.041 -3.463 1.00 0.00 C ATOM 743 CD LYS A 55 3.588 0.103 -1.991 1.00 0.00 C ATOM 744 CE LYS A 55 3.706 -1.288 -1.387 1.00 0.00 C ATOM 745 NZ LYS A 55 2.376 -1.936 -1.222 1.00 0.00 N ATOM 0 H LYS A 55 -0.606 0.024 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 55 1.524 1.491 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.388 1.081 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.200 -0.649 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.524 -0.920 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.761 0.812 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.534 0.633 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.834 0.674 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.336 -1.909 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.201 -1.222 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.389 -2.544 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.645 -1.205 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.164 -2.512 -2.061 1.00 0.00 H new ATOM 759 N VAL A 56 3.161 0.148 -6.696 1.00 0.00 N ATOM 760 CA VAL A 56 4.037 -0.597 -7.591 1.00 0.00 C ATOM 761 C VAL A 56 5.488 -0.158 -7.431 1.00 0.00 C ATOM 762 O VAL A 56 5.773 0.871 -6.818 1.00 0.00 O ATOM 763 CB VAL A 56 3.618 -0.421 -9.062 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.114 -0.591 -9.213 1.00 0.00 C ATOM 765 CG2 VAL A 56 4.064 0.937 -9.584 1.00 0.00 C ATOM 0 H VAL A 56 3.377 1.142 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 56 3.947 -1.649 -7.319 1.00 0.00 H new ATOM 0 HB VAL A 56 4.108 -1.192 -9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.837 -0.463 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.825 -1.588 -8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.601 0.156 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.760 1.044 -10.625 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.603 1.725 -8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.149 1.016 -9.513 1.00 0.00 H new ATOM 775 N CYS A 57 6.403 -0.944 -7.988 1.00 0.00 N ATOM 776 CA CYS A 57 7.826 -0.638 -7.908 1.00 0.00 C ATOM 777 C CYS A 57 8.119 0.742 -8.489 1.00 0.00 C ATOM 778 O CYS A 57 7.385 1.233 -9.347 1.00 0.00 O ATOM 779 CB CYS A 57 8.640 -1.699 -8.650 1.00 0.00 C ATOM 780 SG CYS A 57 10.444 -1.501 -8.487 1.00 0.00 S ATOM 0 H CYS A 57 6.184 -1.798 -8.500 1.00 0.00 H new ATOM 0 HA CYS A 57 8.114 -0.639 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.358 -2.684 -8.278 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.376 -1.670 -9.707 1.00 0.00 H new ATOM 0 HG CYS A 57 11.042 -2.536 -8.997 1.00 0.00 H new ATOM 785 N GLN A 58 9.196 1.361 -8.017 1.00 0.00 N ATOM 786 CA GLN A 58 9.585 2.685 -8.490 1.00 0.00 C ATOM 787 C GLN A 58 10.789 2.598 -9.421 1.00 0.00 C ATOM 788 O GLN A 58 11.034 3.500 -10.221 1.00 0.00 O ATOM 789 CB GLN A 58 9.906 3.599 -7.306 1.00 0.00 C ATOM 790 CG GLN A 58 8.765 3.726 -6.309 1.00 0.00 C ATOM 791 CD GLN A 58 7.593 4.513 -6.861 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.655 5.736 -6.987 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.515 3.813 -7.195 1.00 0.00 N ATOM 0 H GLN A 58 9.815 0.968 -7.308 1.00 0.00 H new ATOM 0 HA GLN A 58 8.747 3.105 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.787 3.216 -6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.162 4.590 -7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.426 2.731 -6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.130 4.212 -5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.507 2.800 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.695 4.288 -7.573 1.00 0.00 H new ATOM 802 N ASN A 59 11.538 1.505 -9.312 1.00 0.00 N ATOM 803 CA ASN A 59 12.718 1.301 -10.144 1.00 0.00 C ATOM 804 C ASN A 59 12.323 0.842 -11.544 1.00 0.00 C ATOM 805 O ASN A 59 12.655 1.489 -12.538 1.00 0.00 O ATOM 806 CB ASN A 59 13.649 0.270 -9.501 1.00 0.00 C ATOM 807 CG ASN A 59 14.003 0.625 -8.070 1.00 0.00 C ATOM 808 OD1 ASN A 59 14.776 1.550 -7.820 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.437 -0.112 -7.121 1.00 0.00 N ATOM 0 H ASN A 59 11.349 0.747 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 59 13.243 2.253 -10.227 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.172 -0.710 -9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.563 0.192 -10.090 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.637 0.079 -6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.802 -0.869 -7.374 1.00 0.00 H new ATOM 816 N CYS A 60 11.613 -0.278 -11.616 1.00 0.00 N ATOM 817 CA CYS A 60 11.171 -0.825 -12.893 1.00 0.00 C ATOM 818 C CYS A 60 9.725 -0.434 -13.182 1.00 0.00 C ATOM 819 O CYS A 60 9.328 -0.289 -14.338 1.00 0.00 O ATOM 820 CB CYS A 60 11.309 -2.349 -12.895 1.00 0.00 C ATOM 821 SG CYS A 60 10.046 -3.211 -11.905 1.00 0.00 S ATOM 0 H CYS A 60 11.331 -0.826 -10.803 1.00 0.00 H new ATOM 0 HA CYS A 60 11.805 -0.409 -13.676 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.256 -2.707 -13.923 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.296 -2.614 -12.516 1.00 0.00 H new ATOM 0 HG CYS A 60 10.021 -2.713 -10.705 1.00 0.00 H new ATOM 826 N LYS A 61 8.941 -0.265 -12.122 1.00 0.00 N ATOM 827 CA LYS A 61 7.539 0.111 -12.259 1.00 0.00 C ATOM 828 C LYS A 61 6.737 -1.010 -12.913 1.00 0.00 C ATOM 829 O LYS A 61 5.979 -0.775 -13.854 1.00 0.00 O ATOM 830 CB LYS A 61 7.412 1.392 -13.086 1.00 0.00 C ATOM 831 CG LYS A 61 8.250 2.543 -12.557 1.00 0.00 C ATOM 832 CD LYS A 61 7.440 3.451 -11.647 1.00 0.00 C ATOM 833 CE LYS A 61 8.205 4.718 -11.299 1.00 0.00 C ATOM 834 NZ LYS A 61 7.451 5.578 -10.345 1.00 0.00 N ATOM 0 H LYS A 61 9.253 -0.383 -11.158 1.00 0.00 H new ATOM 0 HA LYS A 61 7.137 0.288 -11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.707 1.181 -14.114 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.366 1.697 -13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.107 2.149 -12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.644 3.122 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.502 3.714 -12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.184 2.916 -10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.169 4.452 -10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.410 5.280 -12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.028 6.406 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.565 5.895 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.233 5.035 -9.486 1.00 0.00 H new ATOM 848 N GLN A 62 6.908 -2.227 -12.407 1.00 0.00 N ATOM 849 CA GLN A 62 6.199 -3.383 -12.942 1.00 0.00 C ATOM 850 C GLN A 62 5.567 -4.201 -11.820 1.00 0.00 C ATOM 851 O GLN A 62 6.265 -4.868 -11.056 1.00 0.00 O ATOM 852 CB GLN A 62 7.152 -4.261 -13.755 1.00 0.00 C ATOM 853 CG GLN A 62 7.507 -3.677 -15.113 1.00 0.00 C ATOM 854 CD GLN A 62 6.571 -4.143 -16.211 1.00 0.00 C ATOM 855 OE1 GLN A 62 6.942 -4.962 -17.053 1.00 0.00 O ATOM 856 NE2 GLN A 62 5.350 -3.622 -16.209 1.00 0.00 N ATOM 0 H GLN A 62 7.531 -2.438 -11.628 1.00 0.00 H new ATOM 0 HA GLN A 62 5.405 -3.021 -13.595 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.068 -4.415 -13.184 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.697 -5.241 -13.898 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.480 -2.589 -15.055 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.529 -3.957 -15.369 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.085 -2.946 -15.492 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.677 -3.897 -16.924 1.00 0.00 H new ATOM 865 N SER A 63 4.243 -4.145 -11.727 1.00 0.00 N ATOM 866 CA SER A 63 3.517 -4.878 -10.696 1.00 0.00 C ATOM 867 C SER A 63 3.421 -6.359 -11.049 1.00 0.00 C ATOM 868 O SER A 63 2.987 -6.722 -12.141 1.00 0.00 O ATOM 869 CB SER A 63 2.115 -4.293 -10.516 1.00 0.00 C ATOM 870 OG SER A 63 1.241 -4.738 -11.538 1.00 0.00 O ATOM 0 H SER A 63 3.650 -3.600 -12.353 1.00 0.00 H new ATOM 0 HA SER A 63 4.067 -4.780 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.719 -4.583 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.168 -3.204 -10.527 1.00 0.00 H new ATOM 0 HG SER A 63 1.684 -5.434 -12.067 1.00 0.00 H new ATOM 876 N GLY A 64 3.829 -7.212 -10.113 1.00 0.00 N ATOM 877 CA GLY A 64 3.781 -8.644 -10.343 1.00 0.00 C ATOM 878 C GLY A 64 4.269 -9.439 -9.148 1.00 0.00 C ATOM 879 O GLY A 64 3.532 -10.253 -8.594 1.00 0.00 O ATOM 0 H GLY A 64 4.192 -6.936 -9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.758 -8.937 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.390 -8.890 -11.213 1.00 0.00 H new ATOM 883 N GLU A 65 5.517 -9.204 -8.753 1.00 0.00 N ATOM 884 CA GLU A 65 6.103 -9.908 -7.618 1.00 0.00 C ATOM 885 C GLU A 65 5.770 -9.199 -6.308 1.00 0.00 C ATOM 886 O GLU A 65 6.488 -8.295 -5.880 1.00 0.00 O ATOM 887 CB GLU A 65 7.620 -10.012 -7.783 1.00 0.00 C ATOM 888 CG GLU A 65 8.046 -10.807 -9.006 1.00 0.00 C ATOM 889 CD GLU A 65 7.856 -10.037 -10.298 1.00 0.00 C ATOM 890 OE1 GLU A 65 8.701 -9.168 -10.600 1.00 0.00 O ATOM 891 OE2 GLU A 65 6.863 -10.302 -11.007 1.00 0.00 O ATOM 0 H GLU A 65 6.141 -8.533 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 65 5.679 -10.911 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.040 -9.008 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.043 -10.477 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.095 -11.087 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.472 -11.732 -9.051 1.00 0.00 H new ATOM 898 N ASP A 66 4.678 -9.616 -5.678 1.00 0.00 N ATOM 899 CA ASP A 66 4.250 -9.023 -4.417 1.00 0.00 C ATOM 900 C ASP A 66 5.151 -9.472 -3.271 1.00 0.00 C ATOM 901 O ASP A 66 5.763 -8.649 -2.590 1.00 0.00 O ATOM 902 CB ASP A 66 2.798 -9.400 -4.118 1.00 0.00 C ATOM 903 CG ASP A 66 2.232 -8.636 -2.938 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.972 -8.432 -1.952 1.00 0.00 O ATOM 905 OD2 ASP A 66 1.049 -8.240 -3.000 1.00 0.00 O ATOM 0 H ASP A 66 4.073 -10.363 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 66 4.324 -7.940 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.187 -9.206 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.738 -10.470 -3.917 1.00 0.00 H new ATOM 910 N SER A 67 5.226 -10.783 -3.063 1.00 0.00 N ATOM 911 CA SER A 67 6.049 -11.342 -1.996 1.00 0.00 C ATOM 912 C SER A 67 7.442 -10.719 -2.002 1.00 0.00 C ATOM 913 O SER A 67 7.825 -10.018 -1.066 1.00 0.00 O ATOM 914 CB SER A 67 6.156 -12.860 -2.148 1.00 0.00 C ATOM 915 OG SER A 67 5.016 -13.508 -1.611 1.00 0.00 O ATOM 0 H SER A 67 4.727 -11.478 -3.619 1.00 0.00 H new ATOM 0 HA SER A 67 5.571 -11.112 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.261 -13.117 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.053 -13.217 -1.642 1.00 0.00 H new ATOM 0 HG SER A 67 5.108 -14.477 -1.722 1.00 0.00 H new ATOM 921 N LYS A 68 8.196 -10.981 -3.064 1.00 0.00 N ATOM 922 CA LYS A 68 9.546 -10.448 -3.195 1.00 0.00 C ATOM 923 C LYS A 68 9.576 -8.957 -2.873 1.00 0.00 C ATOM 924 O LYS A 68 10.420 -8.495 -2.106 1.00 0.00 O ATOM 925 CB LYS A 68 10.075 -10.684 -4.611 1.00 0.00 C ATOM 926 CG LYS A 68 10.392 -12.140 -4.907 1.00 0.00 C ATOM 927 CD LYS A 68 10.844 -12.332 -6.345 1.00 0.00 C ATOM 928 CE LYS A 68 10.529 -13.734 -6.845 1.00 0.00 C ATOM 929 NZ LYS A 68 9.063 -13.983 -6.912 1.00 0.00 N ATOM 0 H LYS A 68 7.894 -11.560 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 68 10.186 -10.969 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.337 -10.328 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.976 -10.088 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.172 -12.488 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.510 -12.751 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.352 -11.598 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.916 -12.151 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.967 -13.874 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.992 -14.467 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.868 -14.723 -7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.721 -14.293 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.574 -13.107 -7.187 1.00 0.00 H new ATOM 943 N MET A 69 8.648 -8.210 -3.462 1.00 0.00 N ATOM 944 CA MET A 69 8.567 -6.772 -3.235 1.00 0.00 C ATOM 945 C MET A 69 8.704 -6.448 -1.751 1.00 0.00 C ATOM 946 O MET A 69 7.819 -6.759 -0.952 1.00 0.00 O ATOM 947 CB MET A 69 7.242 -6.224 -3.768 1.00 0.00 C ATOM 948 CG MET A 69 7.126 -4.711 -3.669 1.00 0.00 C ATOM 949 SD MET A 69 7.709 -3.871 -5.154 1.00 0.00 S ATOM 950 CE MET A 69 6.175 -3.197 -5.786 1.00 0.00 C ATOM 0 H MET A 69 7.942 -8.577 -4.100 1.00 0.00 H new ATOM 0 HA MET A 69 9.390 -6.298 -3.770 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.128 -6.521 -4.810 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.421 -6.680 -3.215 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.085 -4.441 -3.489 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.699 -4.362 -2.810 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.147 -3.311 -6.870 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.334 -3.730 -5.343 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.110 -2.139 -5.531 1.00 0.00 H new ATOM 960 N LEU A 70 9.818 -5.821 -1.388 1.00 0.00 N ATOM 961 CA LEU A 70 10.071 -5.455 0.002 1.00 0.00 C ATOM 962 C LEU A 70 9.313 -4.185 0.377 1.00 0.00 C ATOM 963 O LEU A 70 9.546 -3.119 -0.194 1.00 0.00 O ATOM 964 CB LEU A 70 11.570 -5.255 0.232 1.00 0.00 C ATOM 965 CG LEU A 70 12.379 -6.519 0.522 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.869 -6.237 0.408 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.042 -7.063 1.903 1.00 0.00 C ATOM 0 H LEU A 70 10.560 -5.556 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 70 9.718 -6.268 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.991 -4.773 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.700 -4.565 1.066 1.00 0.00 H new ATOM 0 HG LEU A 70 12.115 -7.274 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.429 -7.148 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.098 -5.894 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.149 -5.466 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.627 -7.963 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.277 -6.312 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.980 -7.304 1.950 1.00 0.00 H new ATOM 979 N VAL A 71 8.407 -4.306 1.341 1.00 0.00 N ATOM 980 CA VAL A 71 7.617 -3.168 1.795 1.00 0.00 C ATOM 981 C VAL A 71 8.259 -2.502 3.007 1.00 0.00 C ATOM 982 O VAL A 71 8.617 -3.168 3.978 1.00 0.00 O ATOM 983 CB VAL A 71 6.180 -3.590 2.156 1.00 0.00 C ATOM 984 CG1 VAL A 71 5.386 -2.398 2.668 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.494 -4.223 0.955 1.00 0.00 C ATOM 0 H VAL A 71 8.202 -5.181 1.823 1.00 0.00 H new ATOM 0 HA VAL A 71 7.582 -2.457 0.969 1.00 0.00 H new ATOM 0 HB VAL A 71 6.227 -4.333 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.374 -2.715 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.869 -1.994 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.345 -1.629 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.480 -4.515 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.457 -3.504 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.053 -5.104 0.639 1.00 0.00 H new ATOM 995 N CYS A 72 8.401 -1.182 2.944 1.00 0.00 N ATOM 996 CA CYS A 72 9.000 -0.424 4.036 1.00 0.00 C ATOM 997 C CYS A 72 8.076 -0.396 5.250 1.00 0.00 C ATOM 998 O CYS A 72 6.886 -0.693 5.144 1.00 0.00 O ATOM 999 CB CYS A 72 9.309 1.005 3.583 1.00 0.00 C ATOM 1000 SG CYS A 72 10.631 1.817 4.536 1.00 0.00 S ATOM 0 H CYS A 72 8.109 -0.615 2.148 1.00 0.00 H new ATOM 0 HA CYS A 72 9.930 -0.917 4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.592 0.988 2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.401 1.603 3.659 1.00 0.00 H new ATOM 0 HG CYS A 72 11.331 2.576 3.747 1.00 0.00 H new ATOM 1005 N ASP A 73 8.632 -0.037 6.401 1.00 0.00 N ATOM 1006 CA ASP A 73 7.859 0.031 7.636 1.00 0.00 C ATOM 1007 C ASP A 73 7.493 1.474 7.969 1.00 0.00 C ATOM 1008 O ASP A 73 6.504 1.733 8.656 1.00 0.00 O ATOM 1009 CB ASP A 73 8.647 -0.589 8.791 1.00 0.00 C ATOM 1010 CG ASP A 73 8.379 -2.073 8.944 1.00 0.00 C ATOM 1011 OD1 ASP A 73 7.283 -2.432 9.424 1.00 0.00 O ATOM 1012 OD2 ASP A 73 9.265 -2.876 8.583 1.00 0.00 O ATOM 0 H ASP A 73 9.616 0.212 6.505 1.00 0.00 H new ATOM 0 HA ASP A 73 6.938 -0.534 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.713 -0.430 8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.388 -0.079 9.719 1.00 0.00 H new ATOM 1017 N THR A 74 8.298 2.411 7.479 1.00 0.00 N ATOM 1018 CA THR A 74 8.062 3.828 7.726 1.00 0.00 C ATOM 1019 C THR A 74 7.217 4.446 6.618 1.00 0.00 C ATOM 1020 O THR A 74 6.063 4.818 6.836 1.00 0.00 O ATOM 1021 CB THR A 74 9.385 4.607 7.842 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.130 4.142 8.973 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.124 6.100 7.978 1.00 0.00 C ATOM 0 H THR A 74 9.120 2.214 6.908 1.00 0.00 H new ATOM 0 HA THR A 74 7.524 3.898 8.672 1.00 0.00 H new ATOM 0 HB THR A 74 9.962 4.437 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.971 4.641 9.039 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.073 6.629 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.583 6.456 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.528 6.285 8.872 1.00 0.00 H new ATOM 1031 N CYS A 75 7.797 4.552 5.427 1.00 0.00 N ATOM 1032 CA CYS A 75 7.098 5.125 4.283 1.00 0.00 C ATOM 1033 C CYS A 75 6.162 4.099 3.649 1.00 0.00 C ATOM 1034 O CYS A 75 5.256 4.454 2.895 1.00 0.00 O ATOM 1035 CB CYS A 75 8.102 5.627 3.244 1.00 0.00 C ATOM 1036 SG CYS A 75 8.935 4.301 2.313 1.00 0.00 S ATOM 0 H CYS A 75 8.750 4.248 5.229 1.00 0.00 H new ATOM 0 HA CYS A 75 6.501 5.966 4.637 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.585 6.280 2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.856 6.233 3.746 1.00 0.00 H new ATOM 0 HG CYS A 75 9.641 3.576 3.129 1.00 0.00 H new ATOM 1041 N ASP A 76 6.389 2.828 3.960 1.00 0.00 N ATOM 1042 CA ASP A 76 5.566 1.751 3.421 1.00 0.00 C ATOM 1043 C ASP A 76 5.608 1.745 1.896 1.00 0.00 C ATOM 1044 O ASP A 76 4.575 1.635 1.236 1.00 0.00 O ATOM 1045 CB ASP A 76 4.122 1.894 3.904 1.00 0.00 C ATOM 1046 CG ASP A 76 3.304 0.640 3.662 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.750 0.498 2.552 1.00 0.00 O ATOM 1048 OD2 ASP A 76 3.219 -0.199 4.583 1.00 0.00 O ATOM 0 H ASP A 76 7.135 2.518 4.582 1.00 0.00 H new ATOM 0 HA ASP A 76 5.969 0.804 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.119 2.126 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.653 2.735 3.393 1.00 0.00 H new ATOM 1053 N LYS A 77 6.810 1.865 1.342 1.00 0.00 N ATOM 1054 CA LYS A 77 6.988 1.874 -0.105 1.00 0.00 C ATOM 1055 C LYS A 77 7.274 0.469 -0.626 1.00 0.00 C ATOM 1056 O LYS A 77 7.606 -0.433 0.142 1.00 0.00 O ATOM 1057 CB LYS A 77 8.130 2.816 -0.493 1.00 0.00 C ATOM 1058 CG LYS A 77 7.708 4.271 -0.601 1.00 0.00 C ATOM 1059 CD LYS A 77 7.082 4.571 -1.953 1.00 0.00 C ATOM 1060 CE LYS A 77 5.571 4.402 -1.917 1.00 0.00 C ATOM 1061 NZ LYS A 77 4.896 5.221 -2.962 1.00 0.00 N ATOM 0 H LYS A 77 7.676 1.957 1.874 1.00 0.00 H new ATOM 0 HA LYS A 77 6.063 2.229 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.927 2.731 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.546 2.495 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.996 4.504 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.575 4.914 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.328 5.590 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.506 3.907 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.320 3.351 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.197 4.688 -0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.867 5.078 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.115 6.226 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.234 4.931 -3.902 1.00 0.00 H new ATOM 1075 N GLY A 78 7.145 0.291 -1.937 1.00 0.00 N ATOM 1076 CA GLY A 78 7.394 -1.006 -2.539 1.00 0.00 C ATOM 1077 C GLY A 78 8.634 -1.012 -3.410 1.00 0.00 C ATOM 1078 O GLY A 78 8.785 -0.166 -4.292 1.00 0.00 O ATOM 0 H GLY A 78 6.872 1.022 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.502 -1.753 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.531 -1.297 -3.138 1.00 0.00 H new ATOM 1082 N TYR A 79 9.524 -1.966 -3.163 1.00 0.00 N ATOM 1083 CA TYR A 79 10.760 -2.076 -3.930 1.00 0.00 C ATOM 1084 C TYR A 79 11.186 -3.534 -4.070 1.00 0.00 C ATOM 1085 O TYR A 79 11.516 -4.194 -3.084 1.00 0.00 O ATOM 1086 CB TYR A 79 11.874 -1.269 -3.260 1.00 0.00 C ATOM 1087 CG TYR A 79 11.577 0.210 -3.166 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.768 1.049 -4.257 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.104 0.770 -1.985 1.00 0.00 C ATOM 1090 CE1 TYR A 79 11.499 2.401 -4.174 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.831 2.121 -1.893 1.00 0.00 C ATOM 1092 CZ TYR A 79 11.030 2.932 -2.991 1.00 0.00 C ATOM 1093 OH TYR A 79 10.760 4.279 -2.905 1.00 0.00 O ATOM 0 H TYR A 79 9.413 -2.675 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 79 10.577 -1.673 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.043 -1.662 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.800 -1.410 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.133 0.637 -5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.947 0.137 -1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.655 3.039 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.464 2.540 -0.967 1.00 0.00 H new ATOM 0 HH TYR A 79 10.437 4.491 -2.005 1.00 0.00 H new ATOM 1103 N HIS A 80 11.178 -4.030 -5.303 1.00 0.00 N ATOM 1104 CA HIS A 80 11.565 -5.410 -5.575 1.00 0.00 C ATOM 1105 C HIS A 80 12.983 -5.683 -5.084 1.00 0.00 C ATOM 1106 O HIS A 80 13.892 -4.881 -5.302 1.00 0.00 O ATOM 1107 CB HIS A 80 11.464 -5.705 -7.072 1.00 0.00 C ATOM 1108 CG HIS A 80 10.096 -5.476 -7.637 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.879 -4.925 -8.882 1.00 0.00 N ATOM 1110 CD2 HIS A 80 8.871 -5.728 -7.120 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.580 -4.847 -9.106 1.00 0.00 C ATOM 1112 NE2 HIS A 80 7.946 -5.328 -8.052 1.00 0.00 N ATOM 0 H HIS A 80 10.908 -3.497 -6.130 1.00 0.00 H new ATOM 0 HA HIS A 80 10.881 -6.066 -5.037 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.178 -5.079 -7.606 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.753 -6.741 -7.250 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.608 -4.625 -9.529 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.660 -6.163 -6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.115 -4.456 -9.999 1.00 0.00 H new ATOM 1120 N THR A 81 13.166 -6.820 -4.420 1.00 0.00 N ATOM 1121 CA THR A 81 14.473 -7.198 -3.897 1.00 0.00 C ATOM 1122 C THR A 81 15.558 -7.034 -4.956 1.00 0.00 C ATOM 1123 O THR A 81 16.660 -6.570 -4.663 1.00 0.00 O ATOM 1124 CB THR A 81 14.478 -8.654 -3.396 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.991 -9.527 -4.421 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.619 -8.800 -2.148 1.00 0.00 C ATOM 0 H THR A 81 12.425 -7.495 -4.232 1.00 0.00 H new ATOM 0 HA THR A 81 14.682 -6.532 -3.060 1.00 0.00 H new ATOM 0 HB THR A 81 15.504 -8.925 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.999 -10.451 -4.095 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.638 -9.837 -1.813 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.010 -8.156 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.593 -8.511 -2.377 1.00 0.00 H new ATOM 1134 N PHE A 82 15.238 -7.416 -6.188 1.00 0.00 N ATOM 1135 CA PHE A 82 16.186 -7.311 -7.291 1.00 0.00 C ATOM 1136 C PHE A 82 16.331 -5.862 -7.747 1.00 0.00 C ATOM 1137 O PHE A 82 17.364 -5.471 -8.293 1.00 0.00 O ATOM 1138 CB PHE A 82 15.735 -8.184 -8.464 1.00 0.00 C ATOM 1139 CG PHE A 82 14.255 -8.134 -8.714 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.398 -9.002 -8.056 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.720 -7.219 -9.607 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.035 -8.958 -8.284 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.358 -7.170 -9.838 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.515 -8.042 -9.176 1.00 0.00 C ATOM 0 H PHE A 82 14.330 -7.801 -6.448 1.00 0.00 H new ATOM 0 HA PHE A 82 17.156 -7.661 -6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.259 -7.866 -9.366 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.028 -9.216 -8.272 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.799 -9.721 -7.357 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.375 -6.536 -10.128 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.378 -9.640 -7.765 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.953 -6.451 -10.535 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.451 -8.007 -9.356 1.00 0.00 H new ATOM 1154 N CYS A 83 15.289 -5.069 -7.520 1.00 0.00 N ATOM 1155 CA CYS A 83 15.298 -3.664 -7.908 1.00 0.00 C ATOM 1156 C CYS A 83 15.912 -2.800 -6.809 1.00 0.00 C ATOM 1157 O CYS A 83 15.620 -1.608 -6.706 1.00 0.00 O ATOM 1158 CB CYS A 83 13.876 -3.188 -8.211 1.00 0.00 C ATOM 1159 SG CYS A 83 13.147 -3.930 -9.706 1.00 0.00 S ATOM 0 H CYS A 83 14.427 -5.376 -7.069 1.00 0.00 H new ATOM 0 HA CYS A 83 15.907 -3.565 -8.807 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.238 -3.416 -7.357 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.883 -2.104 -8.323 1.00 0.00 H new ATOM 0 HG CYS A 83 13.147 -5.225 -9.592 1.00 0.00 H new ATOM 1164 N LEU A 84 16.762 -3.410 -5.991 1.00 0.00 N ATOM 1165 CA LEU A 84 17.418 -2.698 -4.900 1.00 0.00 C ATOM 1166 C LEU A 84 18.900 -2.494 -5.195 1.00 0.00 C ATOM 1167 O LEU A 84 19.518 -3.293 -5.899 1.00 0.00 O ATOM 1168 CB LEU A 84 17.249 -3.467 -3.588 1.00 0.00 C ATOM 1169 CG LEU A 84 15.848 -3.451 -2.976 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.799 -4.322 -1.730 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.424 -2.027 -2.651 1.00 0.00 C ATOM 0 H LEU A 84 17.013 -4.396 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 84 16.948 -1.719 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.537 -4.504 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.947 -3.058 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 84 15.149 -3.859 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.794 -4.298 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.058 -5.348 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.510 -3.945 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.424 -2.035 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.126 -1.592 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.418 -1.432 -3.564 1.00 0.00 H new ATOM 1183 N GLN A 85 19.465 -1.421 -4.652 1.00 0.00 N ATOM 1184 CA GLN A 85 20.875 -1.113 -4.857 1.00 0.00 C ATOM 1185 C GLN A 85 21.578 -0.869 -3.526 1.00 0.00 C ATOM 1186 O GLN A 85 21.462 0.198 -2.921 1.00 0.00 O ATOM 1187 CB GLN A 85 21.026 0.112 -5.759 1.00 0.00 C ATOM 1188 CG GLN A 85 22.466 0.569 -5.930 1.00 0.00 C ATOM 1189 CD GLN A 85 22.573 1.928 -6.593 1.00 0.00 C ATOM 1190 OE1 GLN A 85 21.964 2.900 -6.144 1.00 0.00 O ATOM 1191 NE2 GLN A 85 23.349 2.004 -7.668 1.00 0.00 N ATOM 0 H GLN A 85 18.968 -0.750 -4.066 1.00 0.00 H new ATOM 0 HA GLN A 85 21.341 -1.971 -5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.607 -0.115 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.440 0.932 -5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 85 22.949 0.606 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 85 23.008 -0.165 -6.526 1.00 0.00 H new ATOM 0 HE21 GLN A 85 23.835 1.173 -8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 85 23.459 2.893 -8.156 1.00 0.00 H new ATOM 1200 N PRO A 86 22.326 -1.879 -3.056 1.00 0.00 N ATOM 1201 CA PRO A 86 22.471 -3.153 -3.767 1.00 0.00 C ATOM 1202 C PRO A 86 21.184 -3.971 -3.759 1.00 0.00 C ATOM 1203 O PRO A 86 20.158 -3.527 -3.245 1.00 0.00 O ATOM 1204 CB PRO A 86 23.569 -3.874 -2.981 1.00 0.00 C ATOM 1205 CG PRO A 86 23.502 -3.289 -1.612 1.00 0.00 C ATOM 1206 CD PRO A 86 23.086 -1.855 -1.795 1.00 0.00 C ATOM 0 HA PRO A 86 22.708 -3.008 -4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.399 -4.950 -2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.548 -3.715 -3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.785 -3.827 -0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.468 -3.354 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.474 -1.505 -0.964 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.948 -1.191 -1.858 1.00 0.00 H new ATOM 1214 N VAL A 87 21.247 -5.169 -4.331 1.00 0.00 N ATOM 1215 CA VAL A 87 20.087 -6.051 -4.388 1.00 0.00 C ATOM 1216 C VAL A 87 19.942 -6.852 -3.099 1.00 0.00 C ATOM 1217 O VAL A 87 20.929 -7.154 -2.429 1.00 0.00 O ATOM 1218 CB VAL A 87 20.181 -7.025 -5.577 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.291 -8.237 -5.346 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.810 -6.321 -6.873 1.00 0.00 C ATOM 0 H VAL A 87 22.089 -5.551 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 87 19.211 -5.415 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 87 21.211 -7.371 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.370 -8.914 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.608 -8.754 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.256 -7.913 -5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.882 -7.024 -7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.789 -5.945 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.493 -5.488 -7.043 1.00 0.00 H new ATOM 1230 N MET A 88 18.703 -7.193 -2.758 1.00 0.00 N ATOM 1231 CA MET A 88 18.429 -7.961 -1.549 1.00 0.00 C ATOM 1232 C MET A 88 18.275 -9.445 -1.870 1.00 0.00 C ATOM 1233 O MET A 88 17.693 -9.812 -2.891 1.00 0.00 O ATOM 1234 CB MET A 88 17.163 -7.442 -0.865 1.00 0.00 C ATOM 1235 CG MET A 88 17.405 -6.234 0.026 1.00 0.00 C ATOM 1236 SD MET A 88 18.363 -6.640 1.499 1.00 0.00 S ATOM 1237 CE MET A 88 17.097 -6.544 2.763 1.00 0.00 C ATOM 0 H MET A 88 17.874 -6.950 -3.301 1.00 0.00 H new ATOM 0 HA MET A 88 19.275 -7.839 -0.873 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.430 -7.180 -1.627 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.729 -8.243 -0.267 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.929 -5.466 -0.543 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.446 -5.810 0.326 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.287 -5.683 3.404 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.120 -6.437 2.292 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.113 -7.453 3.364 1.00 0.00 H new ATOM 1247 N LYS A 89 18.800 -10.293 -0.993 1.00 0.00 N ATOM 1248 CA LYS A 89 18.721 -11.737 -1.182 1.00 0.00 C ATOM 1249 C LYS A 89 17.503 -12.313 -0.467 1.00 0.00 C ATOM 1250 O LYS A 89 16.802 -13.168 -1.007 1.00 0.00 O ATOM 1251 CB LYS A 89 19.995 -12.410 -0.667 1.00 0.00 C ATOM 1252 CG LYS A 89 21.128 -12.423 -1.678 1.00 0.00 C ATOM 1253 CD LYS A 89 21.789 -11.060 -1.793 1.00 0.00 C ATOM 1254 CE LYS A 89 22.658 -10.965 -3.037 1.00 0.00 C ATOM 1255 NZ LYS A 89 23.898 -11.780 -2.910 1.00 0.00 N ATOM 0 H LYS A 89 19.285 -10.005 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 89 18.620 -11.934 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.329 -11.895 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 89 19.763 -13.436 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.871 -13.165 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 89 20.744 -12.725 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 89 21.023 -10.285 -1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 89 22.397 -10.874 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.089 -11.301 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.925 -9.923 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 24.464 -11.689 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.453 -11.443 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 23.644 -12.778 -2.765 1.00 0.00 H new ATOM 1269 N SER A 90 17.258 -11.838 0.750 1.00 0.00 N ATOM 1270 CA SER A 90 16.126 -12.308 1.539 1.00 0.00 C ATOM 1271 C SER A 90 15.403 -11.140 2.202 1.00 0.00 C ATOM 1272 O SER A 90 15.840 -9.992 2.112 1.00 0.00 O ATOM 1273 CB SER A 90 16.596 -13.301 2.604 1.00 0.00 C ATOM 1274 OG SER A 90 17.644 -12.753 3.385 1.00 0.00 O ATOM 0 H SER A 90 17.828 -11.128 1.211 1.00 0.00 H new ATOM 0 HA SER A 90 15.430 -12.809 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.760 -13.570 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.937 -14.219 2.125 1.00 0.00 H new ATOM 0 HG SER A 90 17.925 -13.406 4.059 1.00 0.00 H new ATOM 1280 N VAL A 91 14.293 -11.440 2.869 1.00 0.00 N ATOM 1281 CA VAL A 91 13.509 -10.416 3.549 1.00 0.00 C ATOM 1282 C VAL A 91 13.743 -10.454 5.055 1.00 0.00 C ATOM 1283 O VAL A 91 13.552 -11.477 5.712 1.00 0.00 O ATOM 1284 CB VAL A 91 12.003 -10.584 3.270 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.205 -9.496 3.971 1.00 0.00 C ATOM 1286 CG2 VAL A 91 11.735 -10.574 1.773 1.00 0.00 C ATOM 0 H VAL A 91 13.916 -12.384 2.953 1.00 0.00 H new ATOM 0 HA VAL A 91 13.838 -9.454 3.157 1.00 0.00 H new ATOM 0 HB VAL A 91 11.683 -11.547 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.144 -9.631 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.374 -9.556 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.525 -8.519 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.667 -10.694 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.070 -9.627 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.276 -11.394 1.301 1.00 0.00 H new ATOM 1296 N PRO A 92 14.166 -9.312 5.617 1.00 0.00 N ATOM 1297 CA PRO A 92 14.435 -9.188 7.052 1.00 0.00 C ATOM 1298 C PRO A 92 13.160 -9.240 7.887 1.00 0.00 C ATOM 1299 O PRO A 92 12.383 -8.285 7.916 1.00 0.00 O ATOM 1300 CB PRO A 92 15.096 -7.812 7.172 1.00 0.00 C ATOM 1301 CG PRO A 92 14.594 -7.047 5.997 1.00 0.00 C ATOM 1302 CD PRO A 92 14.415 -8.053 4.894 1.00 0.00 C ATOM 0 HA PRO A 92 15.052 -10.006 7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.825 -7.323 8.108 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.183 -7.892 7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.652 -6.550 6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.301 -6.270 5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.581 -7.792 4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.302 -8.120 4.264 1.00 0.00 H new ATOM 1310 N THR A 93 12.948 -10.363 8.567 1.00 0.00 N ATOM 1311 CA THR A 93 11.767 -10.541 9.402 1.00 0.00 C ATOM 1312 C THR A 93 11.697 -9.474 10.489 1.00 0.00 C ATOM 1313 O THR A 93 10.613 -9.069 10.905 1.00 0.00 O ATOM 1314 CB THR A 93 11.750 -11.932 10.062 1.00 0.00 C ATOM 1315 OG1 THR A 93 12.979 -12.158 10.761 1.00 0.00 O ATOM 1316 CG2 THR A 93 11.545 -13.022 9.021 1.00 0.00 C ATOM 0 H THR A 93 13.580 -11.163 8.555 1.00 0.00 H new ATOM 0 HA THR A 93 10.900 -10.447 8.748 1.00 0.00 H new ATOM 0 HB THR A 93 10.920 -11.965 10.768 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.959 -13.044 11.179 1.00 0.00 H new ATOM 0 HG21 THR A 93 11.537 -13.996 9.511 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.595 -12.864 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 93 12.357 -12.988 8.294 1.00 0.00 H new ATOM 1324 N ASN A 94 12.861 -9.023 10.945 1.00 0.00 N ATOM 1325 CA ASN A 94 12.932 -8.003 11.984 1.00 0.00 C ATOM 1326 C ASN A 94 12.352 -6.681 11.489 1.00 0.00 C ATOM 1327 O ASN A 94 11.529 -6.061 12.162 1.00 0.00 O ATOM 1328 CB ASN A 94 14.380 -7.800 12.433 1.00 0.00 C ATOM 1329 CG ASN A 94 15.170 -6.940 11.465 1.00 0.00 C ATOM 1330 OD1 ASN A 94 15.458 -5.776 11.744 1.00 0.00 O ATOM 1331 ND2 ASN A 94 15.525 -7.512 10.320 1.00 0.00 N ATOM 0 H ASN A 94 13.768 -9.348 10.611 1.00 0.00 H new ATOM 0 HA ASN A 94 12.340 -8.345 12.833 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.390 -7.336 13.419 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.866 -8.770 12.533 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.058 -6.983 9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.264 -8.480 10.131 1.00 0.00 H new ATOM 1338 N GLY A 95 12.786 -6.256 10.307 1.00 0.00 N ATOM 1339 CA GLY A 95 12.300 -5.011 9.741 1.00 0.00 C ATOM 1340 C GLY A 95 13.197 -4.487 8.637 1.00 0.00 C ATOM 1341 O GLY A 95 14.420 -4.592 8.720 1.00 0.00 O ATOM 0 H GLY A 95 13.466 -6.752 9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.295 -5.162 9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.224 -4.262 10.529 1.00 0.00 H new ATOM 1345 N TRP A 96 12.587 -3.922 7.601 1.00 0.00 N ATOM 1346 CA TRP A 96 13.340 -3.380 6.475 1.00 0.00 C ATOM 1347 C TRP A 96 13.231 -1.860 6.429 1.00 0.00 C ATOM 1348 O TRP A 96 12.252 -1.282 6.901 1.00 0.00 O ATOM 1349 CB TRP A 96 12.834 -3.980 5.162 1.00 0.00 C ATOM 1350 CG TRP A 96 13.693 -3.635 3.982 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.900 -4.186 3.658 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.410 -2.661 2.972 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.384 -3.613 2.507 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.488 -2.675 2.066 1.00 0.00 C ATOM 1355 CE3 TRP A 96 12.349 -1.780 2.743 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.535 -1.841 0.952 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 12.398 -0.953 1.637 1.00 0.00 C ATOM 1358 CH2 TRP A 96 13.484 -0.988 0.753 1.00 0.00 C ATOM 0 H TRP A 96 11.575 -3.827 7.517 1.00 0.00 H new ATOM 0 HA TRP A 96 14.389 -3.646 6.608 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.784 -5.064 5.262 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.818 -3.630 4.978 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.400 -4.958 4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.267 -3.848 2.054 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.507 -1.746 3.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.371 -1.867 0.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.584 -0.267 1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.492 -0.329 -0.102 1.00 0.00 H new ATOM 1369 N LYS A 97 14.242 -1.216 5.855 1.00 0.00 N ATOM 1370 CA LYS A 97 14.260 0.238 5.745 1.00 0.00 C ATOM 1371 C LYS A 97 14.789 0.674 4.383 1.00 0.00 C ATOM 1372 O LYS A 97 15.937 0.399 4.034 1.00 0.00 O ATOM 1373 CB LYS A 97 15.121 0.843 6.856 1.00 0.00 C ATOM 1374 CG LYS A 97 14.763 2.282 7.188 1.00 0.00 C ATOM 1375 CD LYS A 97 15.007 2.593 8.655 1.00 0.00 C ATOM 1376 CE LYS A 97 16.448 2.312 9.053 1.00 0.00 C ATOM 1377 NZ LYS A 97 17.295 3.533 8.964 1.00 0.00 N ATOM 0 H LYS A 97 15.060 -1.679 5.459 1.00 0.00 H new ATOM 0 HA LYS A 97 13.237 0.598 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.019 0.235 7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.168 0.798 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.354 2.957 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.716 2.462 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.772 3.639 8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.335 1.995 9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.475 1.925 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.859 1.537 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.938 3.570 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.852 3.506 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.688 4.377 8.963 1.00 0.00 H new ATOM 1391 N CYS A 98 13.945 1.356 3.616 1.00 0.00 N ATOM 1392 CA CYS A 98 14.327 1.832 2.292 1.00 0.00 C ATOM 1393 C CYS A 98 15.362 2.949 2.393 1.00 0.00 C ATOM 1394 O CYS A 98 15.586 3.508 3.467 1.00 0.00 O ATOM 1395 CB CYS A 98 13.096 2.329 1.531 1.00 0.00 C ATOM 1396 SG CYS A 98 12.555 4.003 2.005 1.00 0.00 S ATOM 0 H CYS A 98 12.991 1.592 3.889 1.00 0.00 H new ATOM 0 HA CYS A 98 14.770 0.998 1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.313 2.318 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.274 1.633 1.696 1.00 0.00 H new ATOM 0 HG CYS A 98 11.258 4.031 2.093 1.00 0.00 H new ATOM 1401 N LYS A 99 15.990 3.269 1.267 1.00 0.00 N ATOM 1402 CA LYS A 99 17.000 4.320 1.226 1.00 0.00 C ATOM 1403 C LYS A 99 16.372 5.689 1.468 1.00 0.00 C ATOM 1404 O LYS A 99 16.957 6.541 2.134 1.00 0.00 O ATOM 1405 CB LYS A 99 17.722 4.309 -0.124 1.00 0.00 C ATOM 1406 CG LYS A 99 18.712 5.449 -0.293 1.00 0.00 C ATOM 1407 CD LYS A 99 19.542 5.283 -1.555 1.00 0.00 C ATOM 1408 CE LYS A 99 20.813 4.491 -1.285 1.00 0.00 C ATOM 1409 NZ LYS A 99 21.923 4.900 -2.189 1.00 0.00 N ATOM 0 H LYS A 99 15.817 2.815 0.370 1.00 0.00 H new ATOM 0 HA LYS A 99 17.722 4.127 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.249 3.361 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.982 4.360 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.174 6.396 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.371 5.492 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.950 4.775 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.801 6.264 -1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.117 4.635 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.613 3.427 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.771 4.338 -1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.643 4.739 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.132 5.909 -2.048 1.00 0.00 H new ATOM 1423 N ASN A 100 15.176 5.891 0.923 1.00 0.00 N ATOM 1424 CA ASN A 100 14.468 7.156 1.081 1.00 0.00 C ATOM 1425 C ASN A 100 14.212 7.455 2.555 1.00 0.00 C ATOM 1426 O ASN A 100 14.086 8.614 2.951 1.00 0.00 O ATOM 1427 CB ASN A 100 13.143 7.121 0.318 1.00 0.00 C ATOM 1428 CG ASN A 100 12.436 8.463 0.324 1.00 0.00 C ATOM 1429 OD1 ASN A 100 12.442 9.175 1.329 1.00 0.00 O ATOM 1430 ND2 ASN A 100 11.823 8.814 -0.800 1.00 0.00 N ATOM 0 H ASN A 100 14.678 5.195 0.368 1.00 0.00 H new ATOM 0 HA ASN A 100 15.094 7.949 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.328 6.816 -0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.491 6.368 0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.331 9.706 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.844 8.192 -1.608 1.00 0.00 H new ATOM 1437 N CYS A 101 14.137 6.403 3.362 1.00 0.00 N ATOM 1438 CA CYS A 101 13.896 6.552 4.792 1.00 0.00 C ATOM 1439 C CYS A 101 15.212 6.622 5.561 1.00 0.00 C ATOM 1440 O CYS A 101 15.443 7.554 6.333 1.00 0.00 O ATOM 1441 CB CYS A 101 13.051 5.387 5.312 1.00 0.00 C ATOM 1442 SG CYS A 101 11.262 5.579 5.023 1.00 0.00 S ATOM 0 H CYS A 101 14.240 5.437 3.050 1.00 0.00 H new ATOM 0 HA CYS A 101 13.354 7.484 4.948 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.388 4.466 4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.225 5.275 6.382 1.00 0.00 H new ATOM 0 HG CYS A 101 10.725 4.410 4.832 1.00 0.00 H new ATOM 1447 N ARG A 102 16.071 5.632 5.345 1.00 0.00 N ATOM 1448 CA ARG A 102 17.363 5.581 6.018 1.00 0.00 C ATOM 1449 C ARG A 102 18.018 6.959 6.042 1.00 0.00 C ATOM 1450 O ARG A 102 18.781 7.278 6.955 1.00 0.00 O ATOM 1451 CB ARG A 102 18.286 4.579 5.321 1.00 0.00 C ATOM 1452 CG ARG A 102 19.076 5.177 4.169 1.00 0.00 C ATOM 1453 CD ARG A 102 20.126 4.207 3.650 1.00 0.00 C ATOM 1454 NE ARG A 102 19.581 2.867 3.449 1.00 0.00 N ATOM 1455 CZ ARG A 102 19.596 1.920 4.381 1.00 0.00 C ATOM 1456 NH1 ARG A 102 20.126 2.165 5.571 1.00 0.00 N ATOM 1457 NH2 ARG A 102 19.080 0.725 4.122 1.00 0.00 N ATOM 0 H ARG A 102 15.896 4.854 4.709 1.00 0.00 H new ATOM 0 HA ARG A 102 17.196 5.258 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.982 4.169 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.689 3.747 4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.396 5.445 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 102 19.560 6.097 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.530 4.579 2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.955 4.159 4.356 1.00 0.00 H new ATOM 0 HE ARG A 102 19.166 2.646 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.524 3.082 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.136 1.436 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 102 18.672 0.533 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.092 -0.002 4.838 1.00 0.00 H new ATOM 1471 N ILE A 103 17.716 7.770 5.034 1.00 0.00 N ATOM 1472 CA ILE A 103 18.275 9.113 4.941 1.00 0.00 C ATOM 1473 C ILE A 103 18.472 9.723 6.325 1.00 0.00 C ATOM 1474 O ILE A 103 17.633 9.561 7.211 1.00 0.00 O ATOM 1475 CB ILE A 103 17.372 10.042 4.107 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.237 9.509 2.679 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.931 11.457 4.100 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.557 9.118 2.052 1.00 0.00 C ATOM 0 H ILE A 103 17.087 7.521 4.270 1.00 0.00 H new ATOM 0 HA ILE A 103 19.242 9.019 4.446 1.00 0.00 H new ATOM 0 HB ILE A 103 16.381 10.066 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.576 8.642 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.761 10.269 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.282 12.102 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.981 11.834 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.931 11.451 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.384 8.749 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.214 9.987 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.025 8.335 2.649 1.00 0.00 H new