USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 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 21 CYS SG : rot 154:sc= 1.06 USER MOD Set 1.2: A 24 CYS SG : rot -60:sc= 0.771 USER MOD Set 1.3: A 53 HIS : no HD1:sc= 0.322 K(o=4,f=3.4) USER MOD Set 1.4: A 56 CYS SG : rot 142:sc= 0.533 USER MOD Set 1.5: A 59 LYS NZ :NH3+ 158:sc= 1.36 (180deg=0) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.609 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -169:sc= 0.677 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 21:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.12) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.16) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 172:sc= -0.0713 (180deg=-0.222) USER MOD Single : A 38 MET CE :methyl -169:sc= -2.17 (180deg=-2.9) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.549 USER MOD Single : A 43 MET CE :methyl -150:sc= -0.0112 (180deg=-0.175) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.47) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.707 X(o=-0.71,f=-0.93) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.851 K(o=-0.85,f=-2.5!) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 82 GLN : amide:sc= 1.05 K(o=1.1,f=-0.41) USER MOD Single : A 83 GLN : amide:sc= 0.802 K(o=0.8,f=-0.48) USER MOD Single : A 84 LYS NZ :NH3+ -139:sc= 1.28 (180deg=0.0617) USER MOD Single : A 86 LYS NZ :NH3+ 148:sc= 1.34 (180deg=0.764) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 93:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -1.231 -2.951 10.517 1.00 0.00 N ATOM 80 CA LYS A 7 -2.385 -3.524 9.819 1.00 0.00 C ATOM 81 C LYS A 7 -2.076 -4.511 8.703 1.00 0.00 C ATOM 82 O LYS A 7 -1.038 -4.471 8.044 1.00 0.00 O ATOM 83 CB LYS A 7 -3.414 -2.442 9.452 1.00 0.00 C ATOM 84 CG LYS A 7 -4.042 -1.782 10.692 1.00 0.00 C ATOM 85 CD LYS A 7 -5.049 -2.690 11.392 1.00 0.00 C ATOM 86 CE LYS A 7 -5.179 -2.309 12.872 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.263 -3.074 13.540 1.00 0.00 N ATOM 0 HA LYS A 7 -2.858 -4.181 10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.931 -1.678 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.201 -2.886 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.253 -1.511 11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.537 -0.857 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.020 -2.610 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.732 -3.729 11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.234 -2.496 13.381 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.381 -1.241 12.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.323 -2.791 14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.169 -2.876 13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.057 -4.092 13.480 1.00 0.00 H new ATOM 101 N LEU A 8 -3.034 -5.423 8.512 1.00 0.00 N ATOM 102 CA LEU A 8 -3.026 -6.454 7.477 1.00 0.00 C ATOM 103 C LEU A 8 -2.845 -5.860 6.075 1.00 0.00 C ATOM 104 O LEU A 8 -2.296 -6.537 5.205 1.00 0.00 O ATOM 105 CB LEU A 8 -4.292 -7.328 7.577 1.00 0.00 C ATOM 106 CG LEU A 8 -5.649 -6.615 7.385 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.704 -7.641 6.971 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.157 -5.932 8.659 1.00 0.00 C ATOM 0 H LEU A 8 -3.868 -5.462 9.098 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.162 -7.096 7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.217 -8.121 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.296 -7.809 8.555 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.490 -5.851 6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.663 -7.142 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.405 -8.114 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.797 -8.400 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.114 -5.450 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.285 -6.677 9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.435 -5.183 8.983 1.00 0.00 H new ATOM 120 N TYR A 9 -3.208 -4.586 5.904 1.00 0.00 N ATOM 121 CA TYR A 9 -2.889 -3.775 4.742 1.00 0.00 C ATOM 122 C TYR A 9 -2.385 -2.407 5.229 1.00 0.00 C ATOM 123 O TYR A 9 -2.693 -1.962 6.337 1.00 0.00 O ATOM 124 CB TYR A 9 -4.107 -3.643 3.819 1.00 0.00 C ATOM 125 CG TYR A 9 -4.860 -4.932 3.524 1.00 0.00 C ATOM 126 CD1 TYR A 9 -4.234 -5.987 2.834 1.00 0.00 C ATOM 127 CD2 TYR A 9 -6.189 -5.079 3.961 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.935 -7.183 2.574 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.896 -6.269 3.707 1.00 0.00 C ATOM 130 CZ TYR A 9 -6.270 -7.326 3.013 1.00 0.00 C ATOM 131 OH TYR A 9 -6.949 -8.486 2.793 1.00 0.00 O ATOM 0 H TYR A 9 -3.752 -4.079 6.602 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.105 -4.252 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.802 -2.933 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.777 -3.213 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.212 -5.880 2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.670 -4.273 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.452 -7.988 2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.917 -6.373 4.043 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.854 -8.411 3.162 1.00 0.00 H new ATOM 141 N ARG A 10 -1.594 -1.730 4.406 1.00 0.00 N ATOM 142 CA ARG A 10 -0.879 -0.499 4.766 1.00 0.00 C ATOM 143 C ARG A 10 -0.731 0.387 3.544 1.00 0.00 C ATOM 144 O ARG A 10 -0.608 -0.137 2.442 1.00 0.00 O ATOM 145 CB ARG A 10 0.484 -0.905 5.351 1.00 0.00 C ATOM 146 CG ARG A 10 1.493 0.227 5.587 1.00 0.00 C ATOM 147 CD ARG A 10 0.982 1.250 6.610 1.00 0.00 C ATOM 148 NE ARG A 10 1.993 1.527 7.632 1.00 0.00 N ATOM 149 CZ ARG A 10 2.782 2.570 7.744 1.00 0.00 C ATOM 150 NH1 ARG A 10 2.694 3.607 6.959 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.697 2.546 8.663 1.00 0.00 N ATOM 0 H ARG A 10 -1.424 -2.024 3.444 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.430 0.076 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.310 -1.411 6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.940 -1.634 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.436 -0.195 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.700 0.731 4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.714 2.175 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.076 0.873 7.084 1.00 0.00 H new ATOM 0 HE ARG A 10 2.098 0.814 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.990 3.630 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.329 4.396 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.787 1.733 9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.327 3.340 8.777 1.00 0.00 H new ATOM 165 N VAL A 11 -0.720 1.703 3.731 1.00 0.00 N ATOM 166 CA VAL A 11 -0.398 2.687 2.691 1.00 0.00 C ATOM 167 C VAL A 11 0.391 3.864 3.271 1.00 0.00 C ATOM 168 O VAL A 11 0.234 4.192 4.446 1.00 0.00 O ATOM 169 CB VAL A 11 -1.700 3.131 2.001 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.508 4.137 2.825 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.436 3.754 0.625 1.00 0.00 C ATOM 0 H VAL A 11 -0.940 2.130 4.631 1.00 0.00 H new ATOM 0 HA VAL A 11 0.248 2.233 1.940 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.280 2.214 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.413 4.409 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.779 3.690 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.908 5.030 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.382 4.053 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.795 4.629 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.943 3.024 -0.016 1.00 0.00 H new ATOM 181 N GLU A 12 1.246 4.503 2.473 1.00 0.00 N ATOM 182 CA GLU A 12 1.847 5.810 2.767 1.00 0.00 C ATOM 183 C GLU A 12 2.476 6.426 1.508 1.00 0.00 C ATOM 184 O GLU A 12 2.832 5.714 0.565 1.00 0.00 O ATOM 185 CB GLU A 12 2.910 5.709 3.886 1.00 0.00 C ATOM 186 CG GLU A 12 4.184 4.935 3.513 1.00 0.00 C ATOM 187 CD GLU A 12 5.224 4.910 4.649 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.851 4.953 5.848 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.431 4.822 4.321 1.00 0.00 O ATOM 0 H GLU A 12 1.550 4.118 1.579 1.00 0.00 H new ATOM 0 HA GLU A 12 1.043 6.459 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.193 6.717 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.456 5.232 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.917 3.912 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.631 5.387 2.627 1.00 0.00 H new ATOM 196 N TYR A 13 2.717 7.739 1.530 1.00 0.00 N ATOM 197 CA TYR A 13 3.841 8.303 0.771 1.00 0.00 C ATOM 198 C TYR A 13 5.161 7.970 1.481 1.00 0.00 C ATOM 199 O TYR A 13 5.298 8.165 2.691 1.00 0.00 O ATOM 200 CB TYR A 13 3.678 9.811 0.560 1.00 0.00 C ATOM 201 CG TYR A 13 2.777 10.159 -0.607 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.382 10.037 -0.481 1.00 0.00 C ATOM 203 CD2 TYR A 13 3.338 10.589 -1.826 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.538 10.380 -1.556 1.00 0.00 C ATOM 205 CE2 TYR A 13 2.501 10.922 -2.908 1.00 0.00 C ATOM 206 CZ TYR A 13 1.099 10.830 -2.774 1.00 0.00 C ATOM 207 OH TYR A 13 0.313 11.187 -3.824 1.00 0.00 O ATOM 0 H TYR A 13 2.165 8.420 2.051 1.00 0.00 H new ATOM 0 HA TYR A 13 3.855 7.851 -0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.272 10.256 1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.660 10.256 0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.955 9.679 0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.410 10.663 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.534 10.300 -1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.933 11.249 -3.843 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.588 11.398 -3.501 1.00 0.00 H new ATOM 217 N ALA A 14 6.125 7.451 0.722 1.00 0.00 N ATOM 218 CA ALA A 14 7.367 6.877 1.224 1.00 0.00 C ATOM 219 C ALA A 14 8.222 7.878 2.022 1.00 0.00 C ATOM 220 O ALA A 14 8.740 8.849 1.464 1.00 0.00 O ATOM 221 CB ALA A 14 8.138 6.330 0.017 1.00 0.00 C ATOM 0 H ALA A 14 6.058 7.419 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 14 7.129 6.083 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.077 5.891 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.539 5.568 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.347 7.142 -0.680 1.00 0.00 H new ATOM 227 N LYS A 15 8.426 7.598 3.318 1.00 0.00 N ATOM 228 CA LYS A 15 9.230 8.435 4.229 1.00 0.00 C ATOM 229 C LYS A 15 10.727 8.435 3.882 1.00 0.00 C ATOM 230 O LYS A 15 11.403 9.445 4.076 1.00 0.00 O ATOM 231 CB LYS A 15 9.008 7.979 5.685 1.00 0.00 C ATOM 232 CG LYS A 15 7.539 7.967 6.152 1.00 0.00 C ATOM 233 CD LYS A 15 6.847 9.335 6.066 1.00 0.00 C ATOM 234 CE LYS A 15 5.426 9.222 6.629 1.00 0.00 C ATOM 235 NZ LYS A 15 4.734 10.536 6.649 1.00 0.00 N ATOM 0 H LYS A 15 8.033 6.773 3.771 1.00 0.00 H new ATOM 0 HA LYS A 15 8.890 9.464 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.418 6.976 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.577 8.634 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.982 7.251 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.499 7.615 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.414 10.078 6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.814 9.674 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.852 8.518 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.467 8.817 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.840 10.449 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.341 11.241 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.536 10.839 5.674 1.00 0.00 H new ATOM 249 N SER A 16 11.230 7.323 3.337 1.00 0.00 N ATOM 250 CA SER A 16 12.583 7.188 2.775 1.00 0.00 C ATOM 251 C SER A 16 12.637 6.113 1.683 1.00 0.00 C ATOM 252 O SER A 16 11.855 5.155 1.694 1.00 0.00 O ATOM 253 CB SER A 16 13.602 6.868 3.875 1.00 0.00 C ATOM 254 OG SER A 16 14.910 7.104 3.381 1.00 0.00 O ATOM 0 H SER A 16 10.690 6.460 3.271 1.00 0.00 H new ATOM 0 HA SER A 16 12.840 8.145 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.414 7.487 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.501 5.829 4.190 1.00 0.00 H new ATOM 0 HG SER A 16 15.565 6.903 4.081 1.00 0.00 H new ATOM 260 N GLY A 17 13.574 6.256 0.744 1.00 0.00 N ATOM 261 CA GLY A 17 13.791 5.357 -0.397 1.00 0.00 C ATOM 262 C GLY A 17 14.579 4.099 -0.026 1.00 0.00 C ATOM 263 O GLY A 17 15.667 3.871 -0.557 1.00 0.00 O ATOM 0 H GLY A 17 14.232 7.035 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.826 5.065 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.325 5.895 -1.180 1.00 0.00 H new ATOM 267 N ARG A 18 14.091 3.335 0.958 1.00 0.00 N ATOM 268 CA ARG A 18 14.793 2.186 1.575 1.00 0.00 C ATOM 269 C ARG A 18 13.969 0.890 1.623 1.00 0.00 C ATOM 270 O ARG A 18 14.473 -0.135 2.082 1.00 0.00 O ATOM 271 CB ARG A 18 15.296 2.593 2.978 1.00 0.00 C ATOM 272 CG ARG A 18 16.262 3.792 2.990 1.00 0.00 C ATOM 273 CD ARG A 18 17.580 3.505 2.258 1.00 0.00 C ATOM 274 NE ARG A 18 18.457 4.692 2.240 1.00 0.00 N ATOM 275 CZ ARG A 18 18.587 5.582 1.271 1.00 0.00 C ATOM 276 NH1 ARG A 18 17.904 5.526 0.160 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.427 6.568 1.400 1.00 0.00 N ATOM 0 H ARG A 18 13.170 3.498 1.364 1.00 0.00 H new ATOM 0 HA ARG A 18 15.638 1.944 0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.435 2.830 3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.794 1.737 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.774 4.650 2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.478 4.068 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.096 2.677 2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.369 3.191 1.236 1.00 0.00 H new ATOM 0 HE ARG A 18 19.029 4.843 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.234 4.771 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.040 6.237 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.986 6.654 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.527 7.254 0.652 1.00 0.00 H new ATOM 291 N ALA A 19 12.728 0.918 1.135 1.00 0.00 N ATOM 292 CA ALA A 19 11.879 -0.264 0.976 1.00 0.00 C ATOM 293 C ALA A 19 12.125 -0.951 -0.380 1.00 0.00 C ATOM 294 O ALA A 19 12.479 -0.297 -1.366 1.00 0.00 O ATOM 295 CB ALA A 19 10.415 0.146 1.168 1.00 0.00 C ATOM 0 H ALA A 19 12.275 1.781 0.833 1.00 0.00 H new ATOM 0 HA ALA A 19 12.132 -1.003 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.774 -0.728 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.282 0.563 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.146 0.895 0.423 1.00 0.00 H new ATOM 301 N SER A 20 11.894 -2.264 -0.442 1.00 0.00 N ATOM 302 CA SER A 20 12.080 -3.083 -1.645 1.00 0.00 C ATOM 303 C SER A 20 10.768 -3.748 -2.041 1.00 0.00 C ATOM 304 O SER A 20 10.096 -4.349 -1.202 1.00 0.00 O ATOM 305 CB SER A 20 13.207 -4.104 -1.469 1.00 0.00 C ATOM 306 OG SER A 20 13.000 -4.951 -0.344 1.00 0.00 O ATOM 0 H SER A 20 11.565 -2.801 0.360 1.00 0.00 H new ATOM 0 HA SER A 20 12.384 -2.425 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.286 -4.713 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.155 -3.579 -1.355 1.00 0.00 H new ATOM 0 HG SER A 20 13.742 -5.587 -0.272 1.00 0.00 H new ATOM 312 N CYS A 21 10.399 -3.613 -3.314 1.00 0.00 N ATOM 313 CA CYS A 21 9.111 -4.062 -3.832 1.00 0.00 C ATOM 314 C CYS A 21 9.053 -5.594 -3.945 1.00 0.00 C ATOM 315 O CYS A 21 9.816 -6.210 -4.697 1.00 0.00 O ATOM 316 CB CYS A 21 8.883 -3.359 -5.165 1.00 0.00 C ATOM 317 SG CYS A 21 7.195 -3.678 -5.783 1.00 0.00 S ATOM 0 H CYS A 21 10.995 -3.183 -4.022 1.00 0.00 H new ATOM 0 HA CYS A 21 8.306 -3.799 -3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.036 -2.286 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.614 -3.706 -5.895 1.00 0.00 H new ATOM 0 HG CYS A 21 6.827 -2.705 -6.563 1.00 0.00 H new ATOM 322 N LYS A 22 8.139 -6.225 -3.199 1.00 0.00 N ATOM 323 CA LYS A 22 8.065 -7.696 -3.074 1.00 0.00 C ATOM 324 C LYS A 22 7.410 -8.396 -4.280 1.00 0.00 C ATOM 325 O LYS A 22 7.336 -9.627 -4.292 1.00 0.00 O ATOM 326 CB LYS A 22 7.402 -8.111 -1.739 1.00 0.00 C ATOM 327 CG LYS A 22 7.801 -7.300 -0.504 1.00 0.00 C ATOM 328 CD LYS A 22 9.281 -7.413 -0.127 1.00 0.00 C ATOM 329 CE LYS A 22 9.561 -6.456 1.032 1.00 0.00 C ATOM 330 NZ LYS A 22 11.017 -6.309 1.282 1.00 0.00 N ATOM 0 H LYS A 22 7.425 -5.734 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 22 9.097 -8.046 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.321 -8.043 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.637 -9.159 -1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.562 -6.251 -0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.197 -7.627 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.522 -8.437 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.910 -7.166 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.129 -5.480 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.072 -6.824 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.166 -5.808 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.457 -7.250 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.449 -5.766 0.507 1.00 0.00 H new ATOM 344 N LYS A 23 6.944 -7.639 -5.290 1.00 0.00 N ATOM 345 CA LYS A 23 6.286 -8.151 -6.510 1.00 0.00 C ATOM 346 C LYS A 23 7.141 -7.976 -7.771 1.00 0.00 C ATOM 347 O LYS A 23 7.347 -8.963 -8.480 1.00 0.00 O ATOM 348 CB LYS A 23 4.887 -7.519 -6.641 1.00 0.00 C ATOM 349 CG LYS A 23 4.078 -7.925 -7.884 1.00 0.00 C ATOM 350 CD LYS A 23 3.803 -9.435 -7.975 1.00 0.00 C ATOM 351 CE LYS A 23 2.872 -9.726 -9.158 1.00 0.00 C ATOM 352 NZ LYS A 23 2.626 -11.184 -9.323 1.00 0.00 N ATOM 0 H LYS A 23 7.016 -6.622 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 23 6.169 -9.230 -6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.308 -7.779 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.999 -6.435 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.128 -7.391 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.617 -7.608 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.741 -9.977 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.349 -9.787 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.923 -9.212 -9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.310 -9.326 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.992 -11.340 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.529 -11.672 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.184 -11.561 -8.460 1.00 0.00 H new ATOM 366 N CYS A 24 7.648 -6.765 -8.044 1.00 0.00 N ATOM 367 CA CYS A 24 8.492 -6.496 -9.223 1.00 0.00 C ATOM 368 C CYS A 24 10.019 -6.552 -8.954 1.00 0.00 C ATOM 369 O CYS A 24 10.820 -6.479 -9.891 1.00 0.00 O ATOM 370 CB CYS A 24 8.008 -5.233 -9.958 1.00 0.00 C ATOM 371 SG CYS A 24 8.550 -3.673 -9.165 1.00 0.00 S ATOM 0 H CYS A 24 7.487 -5.946 -7.458 1.00 0.00 H new ATOM 0 HA CYS A 24 8.357 -7.331 -9.910 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.375 -5.256 -10.984 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.919 -5.246 -10.009 1.00 0.00 H new ATOM 0 HG CYS A 24 8.091 -3.622 -7.950 1.00 0.00 H new ATOM 376 N SER A 25 10.421 -6.762 -7.692 1.00 0.00 N ATOM 377 CA SER A 25 11.816 -6.916 -7.231 1.00 0.00 C ATOM 378 C SER A 25 12.725 -5.696 -7.464 1.00 0.00 C ATOM 379 O SER A 25 13.953 -5.815 -7.441 1.00 0.00 O ATOM 380 CB SER A 25 12.441 -8.228 -7.734 1.00 0.00 C ATOM 381 OG SER A 25 11.643 -9.348 -7.375 1.00 0.00 O ATOM 0 H SER A 25 9.753 -6.833 -6.925 1.00 0.00 H new ATOM 0 HA SER A 25 11.744 -6.976 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.552 -8.189 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.441 -8.341 -7.315 1.00 0.00 H new ATOM 0 HG SER A 25 12.062 -10.169 -7.708 1.00 0.00 H new ATOM 387 N GLU A 26 12.139 -4.512 -7.659 1.00 0.00 N ATOM 388 CA GLU A 26 12.825 -3.210 -7.645 1.00 0.00 C ATOM 389 C GLU A 26 12.852 -2.620 -6.217 1.00 0.00 C ATOM 390 O GLU A 26 12.427 -3.266 -5.257 1.00 0.00 O ATOM 391 CB GLU A 26 12.137 -2.257 -8.647 1.00 0.00 C ATOM 392 CG GLU A 26 12.149 -2.725 -10.113 1.00 0.00 C ATOM 393 CD GLU A 26 13.556 -2.662 -10.740 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.403 -3.534 -10.432 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.823 -1.740 -11.549 1.00 0.00 O ATOM 0 H GLU A 26 11.138 -4.427 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 26 13.862 -3.342 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.102 -2.115 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.623 -1.283 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.775 -3.748 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.467 -2.105 -10.695 1.00 0.00 H new ATOM 402 N SER A 27 13.323 -1.380 -6.058 1.00 0.00 N ATOM 403 CA SER A 27 13.218 -0.621 -4.801 1.00 0.00 C ATOM 404 C SER A 27 12.340 0.616 -4.956 1.00 0.00 C ATOM 405 O SER A 27 12.216 1.177 -6.044 1.00 0.00 O ATOM 406 CB SER A 27 14.575 -0.244 -4.225 1.00 0.00 C ATOM 407 OG SER A 27 15.348 -1.388 -3.919 1.00 0.00 O ATOM 0 H SER A 27 13.793 -0.867 -6.803 1.00 0.00 H new ATOM 0 HA SER A 27 12.739 -1.292 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.113 0.379 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.435 0.353 -3.324 1.00 0.00 H new ATOM 0 HG SER A 27 16.213 -1.110 -3.553 1.00 0.00 H new ATOM 413 N ILE A 28 11.686 1.006 -3.864 1.00 0.00 N ATOM 414 CA ILE A 28 10.610 1.998 -3.861 1.00 0.00 C ATOM 415 C ILE A 28 11.177 3.373 -3.443 1.00 0.00 C ATOM 416 O ILE A 28 11.724 3.476 -2.341 1.00 0.00 O ATOM 417 CB ILE A 28 9.463 1.530 -2.939 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.015 0.073 -3.228 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.278 2.500 -3.085 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.055 -0.492 -2.175 1.00 0.00 C ATOM 0 H ILE A 28 11.893 0.634 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 28 10.194 2.103 -4.863 1.00 0.00 H new ATOM 0 HB ILE A 28 9.832 1.536 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.532 0.037 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.897 -0.565 -3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.462 2.178 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.593 3.504 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.938 2.506 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.784 -1.514 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.542 -0.488 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.156 0.123 -2.135 1.00 0.00 H new ATOM 432 N PRO A 29 11.058 4.425 -4.277 1.00 0.00 N ATOM 433 CA PRO A 29 11.685 5.727 -4.028 1.00 0.00 C ATOM 434 C PRO A 29 10.938 6.576 -2.987 1.00 0.00 C ATOM 435 O PRO A 29 9.736 6.408 -2.765 1.00 0.00 O ATOM 436 CB PRO A 29 11.741 6.411 -5.398 1.00 0.00 C ATOM 437 CG PRO A 29 10.509 5.858 -6.110 1.00 0.00 C ATOM 438 CD PRO A 29 10.424 4.424 -5.589 1.00 0.00 C ATOM 0 HA PRO A 29 12.676 5.602 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.702 7.497 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.659 6.168 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.613 6.429 -5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.622 5.887 -7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.387 4.097 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.930 3.735 -6.265 1.00 0.00 H new ATOM 446 N LYS A 30 11.656 7.525 -2.370 1.00 0.00 N ATOM 447 CA LYS A 30 11.126 8.508 -1.405 1.00 0.00 C ATOM 448 C LYS A 30 10.060 9.421 -2.040 1.00 0.00 C ATOM 449 O LYS A 30 10.139 9.741 -3.228 1.00 0.00 O ATOM 450 CB LYS A 30 12.310 9.318 -0.837 1.00 0.00 C ATOM 451 CG LYS A 30 11.907 10.239 0.323 1.00 0.00 C ATOM 452 CD LYS A 30 13.123 10.945 0.940 1.00 0.00 C ATOM 453 CE LYS A 30 12.702 11.933 2.039 1.00 0.00 C ATOM 454 NZ LYS A 30 12.119 13.183 1.483 1.00 0.00 N ATOM 0 H LYS A 30 12.657 7.636 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 30 10.621 7.983 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.083 8.630 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.748 9.918 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.197 10.984 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.398 9.656 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.803 10.203 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.670 11.476 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.973 11.455 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.568 12.181 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.960 13.864 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.775 13.593 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.213 12.967 1.019 1.00 0.00 H new ATOM 468 N ASP A 31 9.080 9.854 -1.242 1.00 0.00 N ATOM 469 CA ASP A 31 7.950 10.710 -1.651 1.00 0.00 C ATOM 470 C ASP A 31 7.156 10.165 -2.866 1.00 0.00 C ATOM 471 O ASP A 31 6.674 10.917 -3.716 1.00 0.00 O ATOM 472 CB ASP A 31 8.383 12.185 -1.778 1.00 0.00 C ATOM 473 CG ASP A 31 8.743 12.809 -0.421 1.00 0.00 C ATOM 474 OD1 ASP A 31 7.841 12.954 0.437 1.00 0.00 O ATOM 475 OD2 ASP A 31 9.922 13.182 -0.213 1.00 0.00 O ATOM 0 H ASP A 31 9.046 9.611 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 31 7.218 10.676 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.242 12.252 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.578 12.759 -2.237 1.00 0.00 H new ATOM 480 N SER A 32 6.997 8.838 -2.925 1.00 0.00 N ATOM 481 CA SER A 32 6.140 8.112 -3.871 1.00 0.00 C ATOM 482 C SER A 32 5.191 7.183 -3.107 1.00 0.00 C ATOM 483 O SER A 32 5.465 6.810 -1.964 1.00 0.00 O ATOM 484 CB SER A 32 6.998 7.338 -4.874 1.00 0.00 C ATOM 485 OG SER A 32 6.181 6.842 -5.921 1.00 0.00 O ATOM 0 H SER A 32 7.485 8.211 -2.285 1.00 0.00 H new ATOM 0 HA SER A 32 5.535 8.824 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.773 7.987 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.504 6.513 -4.373 1.00 0.00 H new ATOM 0 HG SER A 32 6.734 6.349 -6.562 1.00 0.00 H new ATOM 491 N LEU A 33 4.054 6.833 -3.704 1.00 0.00 N ATOM 492 CA LEU A 33 2.973 6.116 -3.033 1.00 0.00 C ATOM 493 C LEU A 33 3.256 4.604 -2.986 1.00 0.00 C ATOM 494 O LEU A 33 3.528 3.976 -4.015 1.00 0.00 O ATOM 495 CB LEU A 33 1.647 6.458 -3.736 1.00 0.00 C ATOM 496 CG LEU A 33 0.402 5.891 -3.034 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.111 6.569 -1.702 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.826 6.093 -3.916 1.00 0.00 C ATOM 0 H LEU A 33 3.855 7.043 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 33 2.899 6.432 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.552 7.542 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.680 6.078 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 33 0.610 4.836 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.779 6.126 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.960 6.434 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.057 7.634 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.705 5.689 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.970 7.158 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.681 5.577 -4.865 1.00 0.00 H new ATOM 510 N ARG A 34 3.165 4.015 -1.790 1.00 0.00 N ATOM 511 CA ARG A 34 3.465 2.601 -1.525 1.00 0.00 C ATOM 512 C ARG A 34 2.478 1.973 -0.551 1.00 0.00 C ATOM 513 O ARG A 34 1.872 2.666 0.264 1.00 0.00 O ATOM 514 CB ARG A 34 4.931 2.451 -1.082 1.00 0.00 C ATOM 515 CG ARG A 34 5.351 3.145 0.228 1.00 0.00 C ATOM 516 CD ARG A 34 6.810 2.765 0.542 1.00 0.00 C ATOM 517 NE ARG A 34 7.302 3.343 1.809 1.00 0.00 N ATOM 518 CZ ARG A 34 8.556 3.613 2.127 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.550 3.470 1.296 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.833 4.085 3.302 1.00 0.00 N ATOM 0 H ARG A 34 2.872 4.521 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 34 3.341 2.040 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.146 1.387 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.565 2.831 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.255 4.226 0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.697 2.839 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.894 1.679 0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.450 3.099 -0.275 1.00 0.00 H new ATOM 0 HE ARG A 34 6.598 3.557 2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.378 3.135 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.500 3.693 1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.085 4.246 3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.799 4.295 3.552 1.00 0.00 H new ATOM 534 N MET A 35 2.317 0.657 -0.650 1.00 0.00 N ATOM 535 CA MET A 35 1.399 -0.158 0.149 1.00 0.00 C ATOM 536 C MET A 35 2.100 -1.383 0.732 1.00 0.00 C ATOM 537 O MET A 35 3.053 -1.875 0.139 1.00 0.00 O ATOM 538 CB MET A 35 0.171 -0.578 -0.676 1.00 0.00 C ATOM 539 CG MET A 35 -0.803 0.583 -0.886 1.00 0.00 C ATOM 540 SD MET A 35 -2.378 0.182 -1.695 1.00 0.00 S ATOM 541 CE MET A 35 -3.132 -0.871 -0.421 1.00 0.00 C ATOM 0 H MET A 35 2.847 0.100 -1.321 1.00 0.00 H new ATOM 0 HA MET A 35 1.058 0.458 0.981 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.497 -0.957 -1.644 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.343 -1.395 -0.170 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.022 1.025 0.086 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.300 1.348 -1.478 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.164 -1.090 -0.694 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.572 -1.803 -0.341 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.112 -0.353 0.538 1.00 0.00 H new ATOM 551 N ALA A 36 1.661 -1.867 1.894 1.00 0.00 N ATOM 552 CA ALA A 36 2.301 -2.982 2.605 1.00 0.00 C ATOM 553 C ALA A 36 1.311 -4.030 3.143 1.00 0.00 C ATOM 554 O ALA A 36 0.104 -3.786 3.185 1.00 0.00 O ATOM 555 CB ALA A 36 3.243 -2.449 3.699 1.00 0.00 C ATOM 0 H ALA A 36 0.843 -1.494 2.376 1.00 0.00 H new ATOM 0 HA ALA A 36 2.896 -3.523 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.710 -3.287 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.015 -1.828 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.673 -1.854 4.412 1.00 0.00 H new ATOM 561 N ILE A 37 1.831 -5.195 3.552 1.00 0.00 N ATOM 562 CA ILE A 37 1.055 -6.318 4.106 1.00 0.00 C ATOM 563 C ILE A 37 1.693 -6.875 5.376 1.00 0.00 C ATOM 564 O ILE A 37 2.917 -6.920 5.475 1.00 0.00 O ATOM 565 CB ILE A 37 0.877 -7.393 3.008 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.551 -7.279 2.445 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.169 -8.839 3.442 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.654 -7.815 1.022 1.00 0.00 C ATOM 0 H ILE A 37 2.831 -5.390 3.506 1.00 0.00 H new ATOM 0 HA ILE A 37 0.069 -5.964 4.408 1.00 0.00 H new ATOM 0 HB ILE A 37 1.632 -7.185 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.238 -7.828 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.864 -6.235 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.014 -9.511 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.202 -8.915 3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.498 -9.117 4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.680 -7.713 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.012 -7.249 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.368 -8.867 1.008 1.00 0.00 H new ATOM 580 N MET A 38 0.883 -7.354 6.322 1.00 0.00 N ATOM 581 CA MET A 38 1.376 -7.939 7.571 1.00 0.00 C ATOM 582 C MET A 38 1.709 -9.432 7.452 1.00 0.00 C ATOM 583 O MET A 38 0.846 -10.246 7.119 1.00 0.00 O ATOM 584 CB MET A 38 0.379 -7.655 8.710 1.00 0.00 C ATOM 585 CG MET A 38 1.022 -7.643 10.100 1.00 0.00 C ATOM 586 SD MET A 38 1.654 -6.034 10.675 1.00 0.00 S ATOM 587 CE MET A 38 2.904 -5.666 9.412 1.00 0.00 C ATOM 0 H MET A 38 -0.134 -7.347 6.244 1.00 0.00 H new ATOM 0 HA MET A 38 2.325 -7.457 7.807 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.099 -6.692 8.532 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.408 -8.409 8.689 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.287 -8.001 10.821 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.846 -8.357 10.103 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.507 -4.817 9.733 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.547 -6.535 9.272 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.410 -5.425 8.471 1.00 0.00 H new ATOM 597 N VAL A 39 2.950 -9.797 7.793 1.00 0.00 N ATOM 598 CA VAL A 39 3.423 -11.194 7.884 1.00 0.00 C ATOM 599 C VAL A 39 4.402 -11.382 9.047 1.00 0.00 C ATOM 600 O VAL A 39 5.056 -10.436 9.474 1.00 0.00 O ATOM 601 CB VAL A 39 4.028 -11.642 6.537 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.290 -10.862 6.165 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.321 -13.144 6.461 1.00 0.00 C ATOM 0 H VAL A 39 3.675 -9.117 8.020 1.00 0.00 H new ATOM 0 HA VAL A 39 2.567 -11.835 8.095 1.00 0.00 H new ATOM 0 HB VAL A 39 3.247 -11.417 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.671 -11.221 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.052 -9.801 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.048 -11.008 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.744 -13.383 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.032 -13.416 7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.396 -13.703 6.602 1.00 0.00 H new ATOM 613 N GLN A 40 4.503 -12.597 9.585 1.00 0.00 N ATOM 614 CA GLN A 40 5.519 -12.982 10.577 1.00 0.00 C ATOM 615 C GLN A 40 6.902 -13.149 9.928 1.00 0.00 C ATOM 616 O GLN A 40 7.044 -13.796 8.888 1.00 0.00 O ATOM 617 CB GLN A 40 5.086 -14.235 11.362 1.00 0.00 C ATOM 618 CG GLN A 40 4.307 -15.262 10.523 1.00 0.00 C ATOM 619 CD GLN A 40 4.117 -16.584 11.266 1.00 0.00 C ATOM 620 OE1 GLN A 40 3.094 -16.842 11.885 1.00 0.00 O ATOM 621 NE2 GLN A 40 5.094 -17.469 11.247 1.00 0.00 N ATOM 0 H GLN A 40 3.871 -13.360 9.342 1.00 0.00 H new ATOM 0 HA GLN A 40 5.607 -12.170 11.299 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.972 -14.716 11.775 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.468 -13.927 12.206 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.332 -14.851 10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.838 -15.444 9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.953 -17.269 10.735 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.990 -18.354 11.744 1.00 0.00 H new ATOM 630 N SER A 41 7.926 -12.553 10.538 1.00 0.00 N ATOM 631 CA SER A 41 9.256 -12.420 9.938 1.00 0.00 C ATOM 632 C SER A 41 10.108 -13.690 10.009 1.00 0.00 C ATOM 633 O SER A 41 10.201 -14.312 11.071 1.00 0.00 O ATOM 634 CB SER A 41 10.008 -11.268 10.592 1.00 0.00 C ATOM 635 OG SER A 41 11.232 -11.058 9.908 1.00 0.00 O ATOM 0 H SER A 41 7.857 -12.145 11.470 1.00 0.00 H new ATOM 0 HA SER A 41 9.086 -12.224 8.879 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.403 -10.362 10.565 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.199 -11.492 11.641 1.00 0.00 H new ATOM 0 HG SER A 41 11.717 -10.316 10.326 1.00 0.00 H new ATOM 641 N PRO A 42 10.827 -14.028 8.920 1.00 0.00 N ATOM 642 CA PRO A 42 11.910 -15.003 8.961 1.00 0.00 C ATOM 643 C PRO A 42 13.164 -14.518 9.719 1.00 0.00 C ATOM 644 O PRO A 42 14.011 -15.336 10.081 1.00 0.00 O ATOM 645 CB PRO A 42 12.244 -15.321 7.496 1.00 0.00 C ATOM 646 CG PRO A 42 11.012 -14.865 6.716 1.00 0.00 C ATOM 647 CD PRO A 42 10.509 -13.686 7.542 1.00 0.00 C ATOM 0 HA PRO A 42 11.585 -15.882 9.517 1.00 0.00 H new ATOM 0 HB2 PRO A 42 13.139 -14.792 7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.433 -16.385 7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.264 -14.568 5.698 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.265 -15.655 6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.997 -12.758 7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.437 -13.540 7.409 1.00 0.00 H new ATOM 655 N MET A 43 13.306 -13.201 9.939 1.00 0.00 N ATOM 656 CA MET A 43 14.510 -12.551 10.497 1.00 0.00 C ATOM 657 C MET A 43 14.291 -11.878 11.868 1.00 0.00 C ATOM 658 O MET A 43 15.264 -11.567 12.561 1.00 0.00 O ATOM 659 CB MET A 43 15.035 -11.516 9.493 1.00 0.00 C ATOM 660 CG MET A 43 15.595 -12.163 8.217 1.00 0.00 C ATOM 661 SD MET A 43 15.312 -11.201 6.708 1.00 0.00 S ATOM 662 CE MET A 43 13.532 -11.509 6.540 1.00 0.00 C ATOM 0 H MET A 43 12.563 -12.535 9.727 1.00 0.00 H new ATOM 0 HA MET A 43 15.237 -13.345 10.667 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.229 -10.833 9.226 1.00 0.00 H new ATOM 0 HB3 MET A 43 15.815 -10.919 9.966 1.00 0.00 H new ATOM 0 HG2 MET A 43 16.667 -12.315 8.341 1.00 0.00 H new ATOM 0 HG3 MET A 43 15.145 -13.148 8.096 1.00 0.00 H new ATOM 0 HE1 MET A 43 13.257 -11.489 5.485 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.291 -12.486 6.959 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.977 -10.738 7.074 1.00 0.00 H new ATOM 672 N PHE A 44 13.036 -11.639 12.263 1.00 0.00 N ATOM 673 CA PHE A 44 12.635 -10.899 13.468 1.00 0.00 C ATOM 674 C PHE A 44 11.583 -11.663 14.300 1.00 0.00 C ATOM 675 O PHE A 44 10.941 -12.601 13.827 1.00 0.00 O ATOM 676 CB PHE A 44 12.166 -9.492 13.048 1.00 0.00 C ATOM 677 CG PHE A 44 11.716 -8.594 14.186 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.659 -8.094 15.105 1.00 0.00 C ATOM 679 CD2 PHE A 44 10.349 -8.294 14.353 1.00 0.00 C ATOM 680 CE1 PHE A 44 12.236 -7.304 16.190 1.00 0.00 C ATOM 681 CE2 PHE A 44 9.928 -7.503 15.437 1.00 0.00 C ATOM 682 CZ PHE A 44 10.871 -7.010 16.356 1.00 0.00 C ATOM 0 H PHE A 44 12.234 -11.971 11.728 1.00 0.00 H new ATOM 0 HA PHE A 44 13.492 -10.796 14.133 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.980 -8.999 12.517 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.342 -9.597 12.342 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.708 -8.317 14.977 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.624 -8.672 13.648 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.960 -6.923 16.895 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.880 -7.274 15.564 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.547 -6.405 17.190 1.00 0.00 H new ATOM 692 N ASP A 45 11.403 -11.258 15.557 1.00 0.00 N ATOM 693 CA ASP A 45 10.569 -11.924 16.569 1.00 0.00 C ATOM 694 C ASP A 45 9.180 -11.261 16.687 1.00 0.00 C ATOM 695 O ASP A 45 8.752 -10.836 17.765 1.00 0.00 O ATOM 696 CB ASP A 45 11.333 -11.991 17.903 1.00 0.00 C ATOM 697 CG ASP A 45 12.599 -12.858 17.803 1.00 0.00 C ATOM 698 OD1 ASP A 45 12.476 -14.107 17.769 1.00 0.00 O ATOM 699 OD2 ASP A 45 13.723 -12.299 17.777 1.00 0.00 O ATOM 0 H ASP A 45 11.854 -10.418 15.919 1.00 0.00 H new ATOM 0 HA ASP A 45 10.369 -12.949 16.257 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.608 -10.983 18.213 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.678 -12.395 18.675 1.00 0.00 H new ATOM 704 N GLY A 46 8.482 -11.122 15.555 1.00 0.00 N ATOM 705 CA GLY A 46 7.217 -10.403 15.446 1.00 0.00 C ATOM 706 C GLY A 46 6.745 -10.262 13.998 1.00 0.00 C ATOM 707 O GLY A 46 7.188 -10.987 13.099 1.00 0.00 O ATOM 0 H GLY A 46 8.793 -11.518 14.668 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.455 -10.926 16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.327 -9.412 15.887 1.00 0.00 H new ATOM 711 N LYS A 47 5.830 -9.315 13.782 1.00 0.00 N ATOM 712 CA LYS A 47 5.154 -9.062 12.504 1.00 0.00 C ATOM 713 C LYS A 47 5.788 -7.861 11.792 1.00 0.00 C ATOM 714 O LYS A 47 6.099 -6.853 12.428 1.00 0.00 O ATOM 715 CB LYS A 47 3.643 -8.878 12.750 1.00 0.00 C ATOM 716 CG LYS A 47 2.958 -10.060 13.473 1.00 0.00 C ATOM 717 CD LYS A 47 2.805 -11.347 12.647 1.00 0.00 C ATOM 718 CE LYS A 47 1.861 -11.260 11.437 1.00 0.00 C ATOM 719 NZ LYS A 47 0.425 -11.245 11.830 1.00 0.00 N ATOM 0 H LYS A 47 5.527 -8.678 14.519 1.00 0.00 H new ATOM 0 HA LYS A 47 5.278 -9.918 11.841 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.492 -7.973 13.339 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.149 -8.721 11.791 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.529 -10.293 14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.968 -9.739 13.798 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.791 -11.648 12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.448 -12.138 13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.088 -10.358 10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.044 -12.108 10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.168 -11.186 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.198 -12.117 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.240 -10.422 12.438 1.00 0.00 H new ATOM 733 N VAL A 48 5.990 -7.979 10.480 1.00 0.00 N ATOM 734 CA VAL A 48 6.746 -7.035 9.635 1.00 0.00 C ATOM 735 C VAL A 48 5.987 -6.693 8.341 1.00 0.00 C ATOM 736 O VAL A 48 5.309 -7.567 7.791 1.00 0.00 O ATOM 737 CB VAL A 48 8.154 -7.574 9.300 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.029 -7.644 10.561 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.143 -8.946 8.610 1.00 0.00 C ATOM 0 H VAL A 48 5.618 -8.766 9.948 1.00 0.00 H new ATOM 0 HA VAL A 48 6.858 -6.119 10.215 1.00 0.00 H new ATOM 0 HB VAL A 48 8.575 -6.862 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.015 -8.027 10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.129 -6.647 10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.564 -8.308 11.290 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.167 -9.259 8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.663 -9.677 9.261 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.591 -8.877 7.673 1.00 0.00 H new ATOM 749 N PRO A 49 6.059 -5.442 7.846 1.00 0.00 N ATOM 750 CA PRO A 49 5.329 -5.015 6.653 1.00 0.00 C ATOM 751 C PRO A 49 6.059 -5.384 5.348 1.00 0.00 C ATOM 752 O PRO A 49 7.249 -5.107 5.184 1.00 0.00 O ATOM 753 CB PRO A 49 5.163 -3.501 6.808 1.00 0.00 C ATOM 754 CG PRO A 49 6.411 -3.087 7.587 1.00 0.00 C ATOM 755 CD PRO A 49 6.672 -4.288 8.496 1.00 0.00 C ATOM 0 HA PRO A 49 4.368 -5.523 6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.109 -3.001 5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.250 -3.250 7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.254 -2.894 6.923 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.243 -2.176 8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.742 -4.444 8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.243 -4.126 9.485 1.00 0.00 H new ATOM 763 N HIS A 50 5.343 -5.976 4.387 1.00 0.00 N ATOM 764 CA HIS A 50 5.844 -6.293 3.041 1.00 0.00 C ATOM 765 C HIS A 50 5.451 -5.199 2.060 1.00 0.00 C ATOM 766 O HIS A 50 4.334 -5.211 1.558 1.00 0.00 O ATOM 767 CB HIS A 50 5.342 -7.687 2.618 1.00 0.00 C ATOM 768 CG HIS A 50 6.263 -8.789 3.078 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.520 -9.982 2.398 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.032 -8.749 4.202 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.436 -10.634 3.136 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.776 -9.907 4.216 1.00 0.00 N ATOM 0 H HIS A 50 4.372 -6.257 4.525 1.00 0.00 H new ATOM 0 HA HIS A 50 6.933 -6.328 3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.346 -7.853 3.029 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.249 -7.724 1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.054 -7.961 4.940 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.842 -11.605 2.895 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.465 -10.168 4.922 1.00 0.00 H new ATOM 780 N TRP A 51 6.354 -4.246 1.816 1.00 0.00 N ATOM 781 CA TRP A 51 6.105 -3.063 0.988 1.00 0.00 C ATOM 782 C TRP A 51 6.170 -3.371 -0.512 1.00 0.00 C ATOM 783 O TRP A 51 7.109 -3.998 -0.991 1.00 0.00 O ATOM 784 CB TRP A 51 7.140 -1.982 1.310 1.00 0.00 C ATOM 785 CG TRP A 51 7.011 -1.347 2.655 1.00 0.00 C ATOM 786 CD1 TRP A 51 7.803 -1.577 3.728 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.027 -0.358 3.085 1.00 0.00 C ATOM 788 NE1 TRP A 51 7.382 -0.797 4.787 1.00 0.00 N ATOM 789 CE2 TRP A 51 6.286 -0.033 4.450 1.00 0.00 C ATOM 790 CE3 TRP A 51 4.933 0.282 2.460 1.00 0.00 C ATOM 791 CZ2 TRP A 51 5.506 0.888 5.161 1.00 0.00 C ATOM 792 CZ3 TRP A 51 4.126 1.189 3.175 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.422 1.499 4.513 1.00 0.00 C ATOM 0 H TRP A 51 7.300 -4.276 2.197 1.00 0.00 H new ATOM 0 HA TRP A 51 5.096 -2.720 1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.135 -2.421 1.229 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.073 -1.202 0.552 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.636 -2.264 3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.827 -0.788 5.705 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.713 0.074 1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 5.735 1.124 6.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.276 1.648 2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.811 2.212 5.046 1.00 0.00 H new ATOM 804 N TYR A 52 5.226 -2.837 -1.274 1.00 0.00 N ATOM 805 CA TYR A 52 5.212 -2.829 -2.731 1.00 0.00 C ATOM 806 C TYR A 52 4.881 -1.409 -3.227 1.00 0.00 C ATOM 807 O TYR A 52 4.310 -0.598 -2.486 1.00 0.00 O ATOM 808 CB TYR A 52 4.200 -3.847 -3.294 1.00 0.00 C ATOM 809 CG TYR A 52 3.935 -5.163 -2.572 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.192 -5.208 -1.372 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.301 -6.369 -3.198 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.831 -6.447 -0.802 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.920 -7.607 -2.648 1.00 0.00 C ATOM 814 CZ TYR A 52 3.189 -7.651 -1.444 1.00 0.00 C ATOM 815 OH TYR A 52 2.829 -8.853 -0.915 1.00 0.00 O ATOM 0 H TYR A 52 4.409 -2.375 -0.874 1.00 0.00 H new ATOM 0 HA TYR A 52 6.199 -3.122 -3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.243 -3.332 -3.383 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.524 -4.095 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.898 -4.288 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.880 -6.344 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.280 -6.474 0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.188 -8.525 -3.150 1.00 0.00 H new ATOM 0 HH TYR A 52 3.159 -9.575 -1.490 1.00 0.00 H new ATOM 825 N HIS A 53 5.183 -1.099 -4.492 1.00 0.00 N ATOM 826 CA HIS A 53 4.606 0.085 -5.162 1.00 0.00 C ATOM 827 C HIS A 53 3.064 0.054 -5.083 1.00 0.00 C ATOM 828 O HIS A 53 2.474 -1.029 -5.023 1.00 0.00 O ATOM 829 CB HIS A 53 5.017 0.152 -6.644 1.00 0.00 C ATOM 830 CG HIS A 53 6.491 0.296 -6.949 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.336 -0.668 -7.510 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.187 1.467 -6.847 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.507 -0.056 -7.742 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.443 1.228 -7.359 1.00 0.00 N ATOM 0 H HIS A 53 5.819 -1.644 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 53 4.991 0.964 -4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.658 -0.752 -7.135 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.494 0.992 -7.101 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.823 2.400 -6.443 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.376 -0.529 -8.175 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.197 1.911 -7.434 1.00 0.00 H new ATOM 842 N PHE A 54 2.398 1.216 -5.140 1.00 0.00 N ATOM 843 CA PHE A 54 0.926 1.296 -5.099 1.00 0.00 C ATOM 844 C PHE A 54 0.249 0.347 -6.106 1.00 0.00 C ATOM 845 O PHE A 54 -0.646 -0.404 -5.727 1.00 0.00 O ATOM 846 CB PHE A 54 0.468 2.740 -5.354 1.00 0.00 C ATOM 847 CG PHE A 54 -1.025 2.885 -5.629 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.973 2.729 -4.595 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.472 3.137 -6.942 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.349 2.805 -4.881 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.848 3.220 -7.221 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.786 3.040 -6.193 1.00 0.00 C ATOM 0 H PHE A 54 2.858 2.123 -5.215 1.00 0.00 H new ATOM 0 HA PHE A 54 0.620 0.979 -4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.727 3.349 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.023 3.140 -6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.642 2.551 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.754 3.267 -7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.071 2.682 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.183 3.422 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.843 3.082 -6.412 1.00 0.00 H new ATOM 862 N SER A 55 0.695 0.326 -7.368 1.00 0.00 N ATOM 863 CA SER A 55 0.096 -0.517 -8.411 1.00 0.00 C ATOM 864 C SER A 55 0.504 -1.982 -8.261 1.00 0.00 C ATOM 865 O SER A 55 -0.307 -2.873 -8.520 1.00 0.00 O ATOM 866 CB SER A 55 0.483 -0.009 -9.803 1.00 0.00 C ATOM 867 OG SER A 55 0.055 1.332 -9.973 1.00 0.00 O ATOM 0 H SER A 55 1.479 0.891 -7.695 1.00 0.00 H new ATOM 0 HA SER A 55 -0.986 -0.455 -8.294 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.563 -0.073 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.032 -0.642 -10.567 1.00 0.00 H new ATOM 0 HG SER A 55 0.310 1.646 -10.866 1.00 0.00 H new ATOM 873 N CYS A 56 1.729 -2.241 -7.789 1.00 0.00 N ATOM 874 CA CYS A 56 2.235 -3.588 -7.567 1.00 0.00 C ATOM 875 C CYS A 56 1.422 -4.363 -6.513 1.00 0.00 C ATOM 876 O CYS A 56 1.201 -5.559 -6.680 1.00 0.00 O ATOM 877 CB CYS A 56 3.709 -3.534 -7.174 1.00 0.00 C ATOM 878 SG CYS A 56 4.783 -3.056 -8.576 1.00 0.00 S ATOM 0 H CYS A 56 2.399 -1.510 -7.550 1.00 0.00 H new ATOM 0 HA CYS A 56 2.128 -4.132 -8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.840 -2.822 -6.359 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.019 -4.509 -6.798 1.00 0.00 H new ATOM 0 HG CYS A 56 5.729 -2.273 -8.150 1.00 0.00 H new ATOM 883 N PHE A 57 0.931 -3.688 -5.468 1.00 0.00 N ATOM 884 CA PHE A 57 0.030 -4.251 -4.455 1.00 0.00 C ATOM 885 C PHE A 57 -1.218 -4.885 -5.094 1.00 0.00 C ATOM 886 O PHE A 57 -1.537 -6.050 -4.848 1.00 0.00 O ATOM 887 CB PHE A 57 -0.352 -3.148 -3.465 1.00 0.00 C ATOM 888 CG PHE A 57 -1.264 -3.639 -2.363 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.648 -3.749 -2.596 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.731 -4.026 -1.120 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.494 -4.266 -1.604 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.584 -4.510 -0.114 1.00 0.00 C ATOM 893 CZ PHE A 57 -2.961 -4.648 -0.361 1.00 0.00 C ATOM 0 H PHE A 57 1.155 -2.708 -5.298 1.00 0.00 H new ATOM 0 HA PHE A 57 0.547 -5.051 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.554 -2.733 -3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.844 -2.338 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.060 -3.434 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.331 -3.951 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.552 -4.370 -1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.181 -4.777 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.609 -5.048 0.405 1.00 0.00 H new ATOM 903 N TRP A 58 -1.903 -4.142 -5.969 1.00 0.00 N ATOM 904 CA TRP A 58 -3.102 -4.622 -6.664 1.00 0.00 C ATOM 905 C TRP A 58 -2.762 -5.653 -7.755 1.00 0.00 C ATOM 906 O TRP A 58 -3.562 -6.548 -8.027 1.00 0.00 O ATOM 907 CB TRP A 58 -3.878 -3.419 -7.213 1.00 0.00 C ATOM 908 CG TRP A 58 -4.151 -2.342 -6.204 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.535 -1.142 -6.168 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.063 -2.351 -5.059 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.957 -0.428 -5.066 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.912 -1.116 -4.352 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.007 -3.267 -4.546 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.654 -0.812 -3.201 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.750 -2.976 -3.388 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.578 -1.751 -2.720 1.00 0.00 C ATOM 0 H TRP A 58 -1.641 -3.188 -6.216 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.739 -5.151 -5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.317 -2.989 -8.042 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.827 -3.769 -7.618 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.817 -0.792 -6.895 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.605 0.495 -4.812 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.161 -4.208 -5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.516 0.131 -2.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.458 -3.699 -3.009 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.158 -1.533 -1.835 1.00 0.00 H new ATOM 927 N LYS A 59 -1.545 -5.597 -8.313 1.00 0.00 N ATOM 928 CA LYS A 59 -0.969 -6.584 -9.242 1.00 0.00 C ATOM 929 C LYS A 59 -0.638 -7.930 -8.574 1.00 0.00 C ATOM 930 O LYS A 59 -0.551 -8.936 -9.278 1.00 0.00 O ATOM 931 CB LYS A 59 0.260 -5.926 -9.887 1.00 0.00 C ATOM 932 CG LYS A 59 0.905 -6.699 -11.044 1.00 0.00 C ATOM 933 CD LYS A 59 2.005 -5.866 -11.728 1.00 0.00 C ATOM 934 CE LYS A 59 3.187 -5.581 -10.784 1.00 0.00 C ATOM 935 NZ LYS A 59 3.956 -4.379 -11.196 1.00 0.00 N ATOM 0 H LYS A 59 -0.904 -4.827 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.704 -6.848 -10.002 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.029 -4.940 -10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.013 -5.772 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.331 -7.630 -10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.142 -6.968 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.365 -6.396 -12.609 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.582 -4.923 -12.074 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.814 -5.442 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.850 -6.446 -10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.481 -4.006 -10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.625 -4.636 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.301 -3.652 -11.549 1.00 0.00 H new ATOM 949 N VAL A 60 -0.530 -8.003 -7.237 1.00 0.00 N ATOM 950 CA VAL A 60 -0.537 -9.304 -6.516 1.00 0.00 C ATOM 951 C VAL A 60 -1.931 -9.971 -6.549 1.00 0.00 C ATOM 952 O VAL A 60 -2.050 -11.177 -6.336 1.00 0.00 O ATOM 953 CB VAL A 60 -0.045 -9.191 -5.051 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.400 -10.551 -4.485 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.147 -8.252 -4.857 1.00 0.00 C ATOM 0 H VAL A 60 -0.437 -7.188 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 60 0.171 -9.935 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.915 -8.794 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.737 -10.424 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.438 -11.247 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.217 -10.946 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.426 -8.232 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.990 -8.607 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.875 -7.247 -5.180 1.00 0.00 H new ATOM 965 N GLY A 61 -2.992 -9.211 -6.853 1.00 0.00 N ATOM 966 CA GLY A 61 -4.383 -9.681 -6.903 1.00 0.00 C ATOM 967 C GLY A 61 -5.171 -9.488 -5.598 1.00 0.00 C ATOM 968 O GLY A 61 -6.229 -10.100 -5.429 1.00 0.00 O ATOM 0 H GLY A 61 -2.903 -8.220 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.901 -9.157 -7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.386 -10.740 -7.160 1.00 0.00 H new ATOM 972 N HIS A 62 -4.673 -8.664 -4.667 1.00 0.00 N ATOM 973 CA HIS A 62 -5.347 -8.365 -3.393 1.00 0.00 C ATOM 974 C HIS A 62 -6.625 -7.530 -3.574 1.00 0.00 C ATOM 975 O HIS A 62 -6.728 -6.711 -4.489 1.00 0.00 O ATOM 976 CB HIS A 62 -4.381 -7.668 -2.427 1.00 0.00 C ATOM 977 CG HIS A 62 -3.236 -8.547 -1.997 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.344 -9.801 -1.384 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.918 -8.249 -2.160 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.082 -10.230 -1.203 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.208 -9.324 -1.672 1.00 0.00 N ATOM 0 H HIS A 62 -3.782 -8.180 -4.777 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.655 -9.320 -2.968 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.984 -6.772 -2.904 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.932 -7.342 -1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.509 -7.346 -2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.810 -11.170 -0.745 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.192 -9.416 -1.668 1.00 0.00 H new ATOM 989 N SER A 63 -7.577 -7.710 -2.654 1.00 0.00 N ATOM 990 CA SER A 63 -8.804 -6.909 -2.514 1.00 0.00 C ATOM 991 C SER A 63 -9.021 -6.517 -1.047 1.00 0.00 C ATOM 992 O SER A 63 -8.629 -7.250 -0.137 1.00 0.00 O ATOM 993 CB SER A 63 -10.030 -7.672 -3.036 1.00 0.00 C ATOM 994 OG SER A 63 -9.942 -7.886 -4.436 1.00 0.00 O ATOM 0 H SER A 63 -7.514 -8.449 -1.954 1.00 0.00 H new ATOM 0 HA SER A 63 -8.682 -6.007 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.111 -8.630 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.936 -7.111 -2.807 1.00 0.00 H new ATOM 0 HG SER A 63 -10.734 -8.375 -4.743 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.641 -5.356 -0.813 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.801 -4.726 0.508 1.00 0.00 C ATOM 1002 C ILE A 64 -11.251 -4.234 0.622 1.00 0.00 C ATOM 1003 O ILE A 64 -11.709 -3.422 -0.182 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.763 -3.589 0.696 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.317 -4.069 0.421 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.871 -2.985 2.107 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.248 -2.999 0.671 1.00 0.00 C ATOM 0 H ILE A 64 -10.061 -4.807 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.611 -5.440 1.309 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.994 -2.817 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.106 -4.933 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.247 -4.404 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.135 -2.189 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.871 -2.577 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.684 -3.760 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.262 -3.412 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.432 -2.143 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.289 -2.680 1.713 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.990 -4.756 1.606 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.453 -4.579 1.737 1.00 0.00 C ATOM 1021 C ARG A 65 -13.865 -3.286 2.456 1.00 0.00 C ATOM 1022 O ARG A 65 -14.975 -2.793 2.260 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.109 -5.835 2.353 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.453 -6.358 3.642 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.361 -7.405 3.364 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.549 -7.638 4.573 1.00 0.00 N ATOM 1027 CZ ARG A 65 -11.313 -8.773 5.201 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -11.694 -9.932 4.738 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -10.685 -8.751 6.337 1.00 0.00 N ATOM 0 H ARG A 65 -11.588 -5.325 2.351 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.838 -4.461 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.155 -5.612 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.096 -6.632 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.019 -5.522 4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.218 -6.797 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.819 -8.340 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.722 -7.065 2.549 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.111 -6.810 4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.198 -9.987 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.488 -10.783 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.380 -7.862 6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.496 -9.622 6.832 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.958 -2.727 3.260 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.090 -1.442 3.963 1.00 0.00 C ATOM 1045 C HIS A 66 -11.699 -0.850 4.256 1.00 0.00 C ATOM 1046 O HIS A 66 -11.157 -1.035 5.350 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.973 -1.577 5.226 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.797 -2.790 6.120 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -14.745 -3.225 7.055 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -12.728 -3.637 6.169 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -14.222 -4.317 7.641 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -13.013 -4.587 7.125 1.00 0.00 N ATOM 0 H HIS A 66 -12.064 -3.179 3.450 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.608 -0.735 3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.809 -0.690 5.838 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -15.014 -1.554 4.904 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.830 -3.574 5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.706 -4.894 8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.408 -5.363 7.395 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.063 -0.166 3.285 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.678 0.280 3.433 1.00 0.00 C ATOM 1062 C PRO A 67 -9.484 1.340 4.519 1.00 0.00 C ATOM 1063 O PRO A 67 -8.439 1.361 5.156 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.251 0.792 2.052 1.00 0.00 C ATOM 1065 CG PRO A 67 -10.577 1.192 1.414 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.549 0.147 1.950 1.00 0.00 C ATOM 0 HA PRO A 67 -9.055 -0.549 3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.568 1.638 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.741 0.021 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.873 2.201 1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.523 1.171 0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.568 0.534 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.564 -0.740 1.317 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.493 2.154 4.832 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.418 3.106 5.946 1.00 0.00 C ATOM 1076 C ASP A 68 -10.421 2.418 7.331 1.00 0.00 C ATOM 1077 O ASP A 68 -10.153 3.068 8.345 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.521 4.164 5.804 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.928 3.555 5.812 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.361 3.076 4.736 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.600 3.573 6.869 1.00 0.00 O ATOM 0 H ASP A 68 -11.379 2.174 4.327 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.454 3.611 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.436 4.883 6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.373 4.715 4.875 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.682 1.103 7.373 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.579 0.245 8.563 1.00 0.00 C ATOM 1088 C VAL A 69 -9.280 -0.575 8.561 1.00 0.00 C ATOM 1089 O VAL A 69 -8.640 -0.714 9.604 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.810 -0.685 8.672 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.781 -1.550 9.938 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -13.123 0.110 8.684 1.00 0.00 C ATOM 0 H VAL A 69 -10.983 0.587 6.546 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.555 0.896 9.437 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.763 -1.326 7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.667 -2.184 9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.888 -2.175 9.931 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.767 -0.907 10.818 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.964 -0.578 8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.130 0.789 9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.209 0.685 7.762 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.875 -1.116 7.405 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.817 -2.147 7.311 1.00 0.00 C ATOM 1104 C GLU A 70 -6.513 -1.709 6.623 1.00 0.00 C ATOM 1105 O GLU A 70 -5.515 -2.411 6.754 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.378 -3.402 6.625 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.508 -4.062 7.423 1.00 0.00 C ATOM 1108 CD GLU A 70 -10.032 -5.345 6.754 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.010 -5.475 5.509 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -10.566 -6.224 7.470 1.00 0.00 O ATOM 0 H GLU A 70 -9.269 -0.854 6.501 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.529 -2.351 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.747 -3.135 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.573 -4.122 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.150 -4.299 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.329 -3.354 7.537 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.489 -0.566 5.933 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.281 0.109 5.424 1.00 0.00 C ATOM 1119 C VAL A 71 -4.827 1.154 6.445 1.00 0.00 C ATOM 1120 O VAL A 71 -5.268 2.305 6.427 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.510 0.701 4.025 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.212 1.277 3.483 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.926 -0.392 3.037 1.00 0.00 C ATOM 0 H VAL A 71 -7.344 -0.060 5.701 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.480 -0.620 5.302 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.283 1.463 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.385 1.694 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.856 2.062 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.463 0.488 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.083 0.048 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.141 -1.146 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.851 -0.858 3.378 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.924 0.770 7.349 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.212 1.750 8.179 1.00 0.00 C ATOM 1135 C ASP A 72 -2.382 2.731 7.327 1.00 0.00 C ATOM 1136 O ASP A 72 -1.869 2.381 6.265 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.361 1.051 9.241 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.687 2.044 10.204 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -2.379 2.972 10.687 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.477 1.897 10.483 1.00 0.00 O ATOM 0 H ASP A 72 -3.668 -0.201 7.526 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.960 2.349 8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.988 0.366 9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.596 0.449 8.751 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.297 3.985 7.769 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.638 5.088 7.061 1.00 0.00 C ATOM 1147 C GLY A 73 -2.501 5.759 5.984 1.00 0.00 C ATOM 1148 O GLY A 73 -2.080 6.747 5.386 1.00 0.00 O ATOM 0 H GLY A 73 -2.698 4.274 8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.337 5.842 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.727 4.712 6.596 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.746 5.308 5.786 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.751 5.981 4.947 1.00 0.00 C ATOM 1154 C PHE A 74 -5.037 7.423 5.418 1.00 0.00 C ATOM 1155 O PHE A 74 -5.370 8.291 4.611 1.00 0.00 O ATOM 1156 CB PHE A 74 -6.009 5.101 4.952 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.182 5.594 4.126 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.240 5.318 2.746 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.248 6.271 4.750 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.368 5.701 1.999 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.374 6.653 4.002 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.441 6.354 2.631 1.00 0.00 C ATOM 0 H PHE A 74 -4.092 4.448 6.212 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.378 6.093 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.733 4.109 4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.342 4.987 5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.418 4.812 2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.200 6.497 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.410 5.494 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.188 7.177 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.318 6.626 2.062 1.00 0.00 H new ATOM 1172 N SER A 75 -4.832 7.707 6.708 1.00 0.00 N ATOM 1173 CA SER A 75 -4.870 9.045 7.320 1.00 0.00 C ATOM 1174 C SER A 75 -3.731 9.985 6.890 1.00 0.00 C ATOM 1175 O SER A 75 -3.895 11.206 6.951 1.00 0.00 O ATOM 1176 CB SER A 75 -4.823 8.890 8.846 1.00 0.00 C ATOM 1177 OG SER A 75 -3.782 7.997 9.229 1.00 0.00 O ATOM 0 H SER A 75 -4.625 6.977 7.389 1.00 0.00 H new ATOM 0 HA SER A 75 -5.794 9.508 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.664 9.863 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.781 8.517 9.208 1.00 0.00 H new ATOM 0 HG SER A 75 -3.766 7.912 10.205 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.587 9.458 6.434 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.467 10.273 5.936 1.00 0.00 C ATOM 1185 C GLU A 76 -1.749 10.818 4.527 1.00 0.00 C ATOM 1186 O GLU A 76 -1.319 11.925 4.187 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.167 9.446 5.896 1.00 0.00 C ATOM 1188 CG GLU A 76 0.346 8.986 7.268 1.00 0.00 C ATOM 1189 CD GLU A 76 1.000 10.147 8.037 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.193 10.440 7.776 1.00 0.00 O ATOM 1191 OE2 GLU A 76 0.334 10.776 8.895 1.00 0.00 O ATOM 0 H GLU A 76 -2.410 8.454 6.399 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.352 11.110 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.331 8.568 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.610 10.039 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.481 8.581 7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.069 8.180 7.137 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.519 10.076 3.725 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.891 10.433 2.355 1.00 0.00 C ATOM 1200 C LEU A 77 -3.829 11.644 2.301 1.00 0.00 C ATOM 1201 O LEU A 77 -4.684 11.822 3.172 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.581 9.239 1.677 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.768 7.940 1.595 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.608 6.910 0.841 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.431 8.123 0.891 1.00 0.00 C ATOM 0 H LEU A 77 -2.912 9.183 4.022 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.972 10.696 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.507 9.030 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.858 9.534 0.665 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.542 7.611 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.055 5.974 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.541 6.739 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.828 7.282 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.901 7.171 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.601 8.473 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.832 8.856 1.432 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.716 12.442 1.231 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.703 13.486 0.910 1.00 0.00 C ATOM 1219 C ARG A 78 -5.921 12.920 0.191 1.00 0.00 C ATOM 1220 O ARG A 78 -5.912 11.781 -0.282 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.055 14.667 0.157 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.101 15.516 1.016 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.677 15.873 2.399 1.00 0.00 C ATOM 1224 NE ARG A 78 -3.206 14.923 3.430 1.00 0.00 N ATOM 1225 CZ ARG A 78 -3.768 14.632 4.590 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.838 15.234 5.025 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -3.240 13.711 5.339 1.00 0.00 N ATOM 0 H ARG A 78 -2.944 12.385 0.567 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.073 13.887 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.505 14.279 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.843 15.310 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.165 14.974 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.864 16.436 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.380 16.886 2.670 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.766 15.860 2.358 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.338 14.430 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.277 15.963 4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.237 14.976 5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.401 13.221 5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.665 13.478 6.236 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.979 13.729 0.136 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.320 13.289 -0.253 1.00 0.00 C ATOM 1243 C TRP A 79 -8.358 12.596 -1.630 1.00 0.00 C ATOM 1244 O TRP A 79 -9.087 11.620 -1.810 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.305 14.474 -0.155 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.240 14.662 -1.312 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.487 14.151 -1.429 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.989 15.384 -2.556 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.023 14.509 -2.652 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.141 15.272 -3.391 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.890 16.104 -3.067 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.204 15.859 -4.663 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.938 16.695 -4.344 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.092 16.576 -5.142 1.00 0.00 C ATOM 0 H TRP A 79 -6.929 14.722 0.363 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.636 12.518 0.450 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.901 14.349 0.749 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.727 15.390 -0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.988 13.554 -0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.955 14.242 -2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.996 16.204 -2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.094 15.762 -5.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.084 17.243 -4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.124 17.034 -6.120 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.530 13.043 -2.582 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.485 12.482 -3.938 1.00 0.00 C ATOM 1267 C ASP A 80 -6.846 11.079 -4.004 1.00 0.00 C ATOM 1268 O ASP A 80 -7.225 10.260 -4.840 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.780 13.451 -4.892 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.964 13.023 -6.360 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.120 12.759 -6.772 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.958 12.977 -7.107 1.00 0.00 O ATOM 0 H ASP A 80 -6.870 13.806 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.520 12.353 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.177 14.456 -4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.717 13.491 -4.653 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.904 10.770 -3.108 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.310 9.442 -2.975 1.00 0.00 C ATOM 1279 C ASP A 81 -6.181 8.545 -2.093 1.00 0.00 C ATOM 1280 O ASP A 81 -6.330 7.371 -2.412 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.876 9.539 -2.440 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.904 10.031 -3.519 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.699 9.301 -4.519 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.319 11.126 -3.348 1.00 0.00 O ATOM 0 H ASP A 81 -5.529 11.448 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.262 8.985 -3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.850 10.219 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.555 8.562 -2.078 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.845 9.085 -1.063 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.866 8.358 -0.305 1.00 0.00 C ATOM 1291 C GLN A 82 -8.994 7.869 -1.222 1.00 0.00 C ATOM 1292 O GLN A 82 -9.241 6.667 -1.280 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.436 9.250 0.811 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.447 9.439 1.969 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.999 10.317 3.093 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.924 11.104 2.934 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.441 10.225 4.280 1.00 0.00 N ATOM 0 H GLN A 82 -6.688 10.038 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.394 7.484 0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.697 10.224 0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.357 8.808 1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.182 8.463 2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.529 9.885 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.669 9.575 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.780 10.803 5.049 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.608 8.742 -2.030 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.724 8.346 -2.903 1.00 0.00 C ATOM 1308 C GLN A 83 -10.306 7.363 -4.009 1.00 0.00 C ATOM 1309 O GLN A 83 -11.118 6.546 -4.438 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.461 9.582 -3.453 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.702 10.371 -4.534 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.407 11.667 -4.953 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.549 11.946 -4.603 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.777 12.515 -5.740 1.00 0.00 N ATOM 0 H GLN A 83 -9.352 9.727 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.431 7.793 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.418 9.261 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.680 10.253 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.705 10.612 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.572 9.737 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.826 12.314 -6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.240 13.373 -6.040 1.00 0.00 H new ATOM 1323 N LYS A 84 -9.037 7.386 -4.441 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.466 6.505 -5.459 1.00 0.00 C ATOM 1325 C LYS A 84 -8.008 5.175 -4.860 1.00 0.00 C ATOM 1326 O LYS A 84 -8.206 4.149 -5.498 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.368 7.296 -6.180 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.619 6.514 -7.273 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.213 6.131 -6.802 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.325 7.381 -6.706 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.996 7.078 -6.130 1.00 0.00 N ATOM 0 H LYS A 84 -8.355 8.049 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.212 6.209 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.815 8.183 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.645 7.643 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.178 5.615 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.552 7.118 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.269 5.640 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.772 5.415 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.199 7.813 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.823 8.132 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.722 7.836 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.037 6.174 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.293 7.011 -6.894 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.509 5.147 -3.621 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.309 3.890 -2.863 1.00 0.00 C ATOM 1347 C VAL A 85 -8.662 3.226 -2.600 1.00 0.00 C ATOM 1348 O VAL A 85 -8.801 2.035 -2.862 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.532 4.119 -1.543 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.541 2.906 -0.594 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -5.056 4.437 -1.812 1.00 0.00 C ATOM 0 H VAL A 85 -7.231 5.985 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.696 3.224 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.053 4.953 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.976 3.145 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.569 2.662 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.084 2.051 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.539 4.592 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.596 3.605 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.983 5.340 -2.418 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.695 3.979 -2.186 1.00 0.00 N ATOM 1362 CA LYS A 86 -11.062 3.447 -2.017 1.00 0.00 C ATOM 1363 C LYS A 86 -11.653 2.942 -3.338 1.00 0.00 C ATOM 1364 O LYS A 86 -12.179 1.830 -3.373 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.989 4.472 -1.334 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.563 4.782 0.116 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.717 5.051 1.094 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.585 3.801 1.281 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.557 3.944 2.396 1.00 0.00 N ATOM 0 H LYS A 86 -9.609 4.970 -1.959 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.986 2.584 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.993 5.395 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.010 4.091 -1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.977 3.944 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.906 5.652 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.316 5.366 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.330 5.871 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.125 3.596 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.942 2.942 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.419 3.404 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.134 3.580 3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.799 4.948 2.519 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.486 3.683 -4.441 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.895 3.241 -5.791 1.00 0.00 C ATOM 1385 C LYS A 87 -11.158 1.973 -6.209 1.00 0.00 C ATOM 1386 O LYS A 87 -11.790 1.038 -6.682 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.714 4.398 -6.794 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.201 4.104 -8.226 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.120 3.512 -9.146 1.00 0.00 C ATOM 1390 CE LYS A 87 -11.681 3.344 -10.564 1.00 0.00 C ATOM 1391 NZ LYS A 87 -10.658 2.817 -11.504 1.00 0.00 N ATOM 0 H LYS A 87 -11.062 4.611 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.953 2.978 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.247 5.271 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.657 4.662 -6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.041 3.412 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.574 5.028 -8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.248 4.165 -9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.788 2.548 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.535 2.667 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.047 4.305 -10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.075 2.717 -12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.854 3.476 -11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.327 1.889 -11.172 1.00 0.00 H new ATOM 1405 N THR A 88 -9.849 1.898 -5.988 1.00 0.00 N ATOM 1406 CA THR A 88 -9.021 0.746 -6.376 1.00 0.00 C ATOM 1407 C THR A 88 -9.287 -0.495 -5.510 1.00 0.00 C ATOM 1408 O THR A 88 -9.263 -1.619 -6.014 1.00 0.00 O ATOM 1409 CB THR A 88 -7.534 1.120 -6.408 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.336 2.266 -7.209 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.721 0.032 -7.084 1.00 0.00 C ATOM 0 H THR A 88 -9.321 2.641 -5.530 1.00 0.00 H new ATOM 0 HA THR A 88 -9.314 0.470 -7.389 1.00 0.00 H new ATOM 0 HB THR A 88 -7.228 1.276 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.368 3.068 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.669 0.318 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.837 -0.903 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.072 -0.102 -8.107 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.644 -0.306 -4.238 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.061 -1.359 -3.321 1.00 0.00 C ATOM 1421 C ALA A 89 -11.434 -1.927 -3.716 1.00 0.00 C ATOM 1422 O ALA A 89 -11.626 -3.144 -3.712 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.082 -0.757 -1.915 1.00 0.00 C ATOM 0 H ALA A 89 -9.650 0.618 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.365 -2.197 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.391 -1.518 -1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.085 -0.399 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.785 0.075 -1.886 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.357 -1.058 -4.149 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.648 -1.464 -4.718 1.00 0.00 C ATOM 1431 C GLU A 90 -13.497 -2.138 -6.092 1.00 0.00 C ATOM 1432 O GLU A 90 -14.238 -3.068 -6.421 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.582 -0.246 -4.834 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.125 0.247 -3.487 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.272 -0.647 -2.974 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -16.002 -1.648 -2.269 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.455 -0.351 -3.272 1.00 0.00 O ATOM 0 H GLU A 90 -12.228 -0.047 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.081 -2.199 -4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.043 0.569 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.420 -0.503 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.319 0.262 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.481 1.272 -3.591 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.515 -1.696 -6.882 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.180 -2.238 -8.194 1.00 0.00 C ATOM 1446 C ALA A 91 -11.517 -3.632 -8.126 1.00 0.00 C ATOM 1447 O ALA A 91 -11.613 -4.408 -9.080 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.274 -1.211 -8.892 1.00 0.00 C ATOM 0 H ALA A 91 -11.910 -0.921 -6.611 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.096 -2.398 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.000 -1.580 -9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.806 -0.265 -8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.372 -1.059 -8.299 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.839 -3.954 -7.014 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.073 -5.198 -6.834 1.00 0.00 C ATOM 1456 C GLY A 92 -8.861 -5.318 -7.774 1.00 0.00 C ATOM 1457 O GLY A 92 -8.401 -6.425 -8.061 1.00 0.00 O ATOM 0 H GLY A 92 -10.807 -3.344 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.728 -5.256 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.734 -6.049 -6.998 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.385 -4.188 -8.309 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.385 -4.111 -9.373 1.00 0.00 C ATOM 1463 C GLY A 93 -7.311 -2.707 -9.980 1.00 0.00 C ATOM 1464 O GLY A 93 -8.337 -2.078 -10.239 1.00 0.00 O ATOM 0 H GLY A 93 -8.700 -3.269 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.409 -4.388 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.627 -4.833 -10.153 1.00 0.00 H new