USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 915 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 61 ASN : amide:sc= -1.45 K(o=-2,f=-3.3) USER MOD Set 1.2: A 66 THR OG1 : rot -172:sc= -0.568 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -170:sc=-0.00577 (180deg=-0.136) USER MOD Single : A 14 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.5) USER MOD Single : A 15 CYS SG : rot -40:sc= -0.106 USER MOD Single : A 17 THR OG1 : rot -130:sc= 0.0841 USER MOD Single : A 18 MET CE :methyl -134:sc= -1.02 (180deg=-3.42!) USER MOD Single : A 19 LYS NZ :NH3+ -143:sc= -0.417 (180deg=-1.63!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -0.244 K(o=-0.24,f=-1.1) USER MOD Single : A 32 TYR OH : rot -65:sc= -0.315 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.4) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 73:sc= 0.747 USER MOD Single : A 58 GLN : amide:sc= -0.0653 K(o=-0.065,f=-0.64) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.5!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 134:sc= -1.87 (180deg=-7.75!) USER MOD Single : A 90 GLN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= -0.271 (180deg=-1.1) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0666) USER MOD Single : A 113 GLN : amide:sc=-0.00292 X(o=-0.0029,f=-0.02) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 7 1.149 0.466 -17.447 1.00 10.34 N ATOM 69 CA VAL A 7 1.232 -0.881 -17.999 1.00 2.44 C ATOM 70 C VAL A 7 0.154 -1.111 -19.053 1.00 5.32 C ATOM 71 O VAL A 7 -1.039 -1.115 -18.745 1.00 24.25 O ATOM 72 CB VAL A 7 1.094 -1.949 -16.898 1.00 52.12 C ATOM 73 CG1 VAL A 7 1.368 -3.335 -17.462 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.030 -1.641 -15.739 1.00 43.52 C ATOM 0 HA VAL A 7 2.214 -0.973 -18.462 1.00 2.44 H new ATOM 0 HB VAL A 7 0.070 -1.931 -16.524 1.00 52.12 H new ATOM 0 HG11 VAL A 7 1.266 -4.077 -16.670 1.00 54.24 H new ATOM 0 HG12 VAL A 7 0.654 -3.552 -18.257 1.00 54.24 H new ATOM 0 HG13 VAL A 7 2.380 -3.371 -17.864 1.00 54.24 H new ATOM 0 HG21 VAL A 7 1.920 -2.405 -14.970 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.060 -1.631 -16.096 1.00 43.52 H new ATOM 0 HG23 VAL A 7 1.782 -0.666 -15.320 1.00 43.52 H new ATOM 84 N THR A 8 0.580 -1.301 -20.297 1.00 15.13 N ATOM 85 CA THR A 8 -0.348 -1.531 -21.397 1.00 55.12 C ATOM 86 C THR A 8 0.078 -2.730 -22.236 1.00 32.31 C ATOM 87 O THR A 8 1.255 -2.880 -22.566 1.00 11.22 O ATOM 88 CB THR A 8 -0.457 -0.293 -22.307 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.319 0.901 -21.531 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.791 -0.276 -23.039 1.00 55.11 C ATOM 0 H THR A 8 1.563 -1.300 -20.568 1.00 15.13 H new ATOM 0 HA THR A 8 -1.322 -1.732 -20.952 1.00 55.12 H new ATOM 0 HB THR A 8 0.345 -0.340 -23.044 1.00 32.32 H new ATOM 0 HG1 THR A 8 -0.388 1.683 -22.118 1.00 2.03 H new ATOM 0 HG21 THR A 8 -1.845 0.607 -23.676 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.880 -1.172 -23.653 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.604 -0.251 -22.313 1.00 55.11 H new ATOM 98 N ILE A 9 -0.884 -3.580 -22.576 1.00 40.31 N ATOM 99 CA ILE A 9 -0.606 -4.765 -23.379 1.00 3.44 C ATOM 100 C ILE A 9 -1.296 -4.683 -24.737 1.00 62.44 C ATOM 101 O ILE A 9 -2.414 -4.180 -24.848 1.00 5.32 O ATOM 102 CB ILE A 9 -1.061 -6.050 -22.662 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.819 -7.270 -23.553 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.529 -5.950 -22.277 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.055 -8.588 -22.849 1.00 32.30 C ATOM 0 H ILE A 9 -1.862 -3.471 -22.309 1.00 40.31 H new ATOM 0 HA ILE A 9 0.474 -4.802 -23.524 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.474 -6.168 -21.751 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.473 -7.210 -24.423 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.206 -7.243 -23.922 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.836 -6.866 -21.771 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.673 -5.101 -21.609 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.132 -5.812 -23.174 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -0.865 -9.409 -23.540 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.383 -8.670 -21.995 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.088 -8.636 -22.504 1.00 32.30 H new ATOM 117 N TYR A 10 -0.622 -5.183 -25.767 1.00 4.54 N ATOM 118 CA TYR A 10 -1.170 -5.166 -27.118 1.00 30.24 C ATOM 119 C TYR A 10 -1.344 -6.585 -27.653 1.00 22.21 C ATOM 120 O TYR A 10 -0.466 -7.432 -27.499 1.00 41.11 O ATOM 121 CB TYR A 10 -0.259 -4.367 -28.051 1.00 22.32 C ATOM 122 CG TYR A 10 -0.014 -2.948 -27.588 1.00 34.41 C ATOM 123 CD1 TYR A 10 0.906 -2.674 -26.583 1.00 54.11 C ATOM 124 CD2 TYR A 10 -0.703 -1.883 -28.153 1.00 15.21 C ATOM 125 CE1 TYR A 10 1.133 -1.379 -26.157 1.00 20.31 C ATOM 126 CE2 TYR A 10 -0.482 -0.586 -27.734 1.00 22.30 C ATOM 127 CZ TYR A 10 0.437 -0.338 -26.736 1.00 60.44 C ATOM 128 OH TYR A 10 0.659 0.953 -26.314 1.00 41.33 O ATOM 0 H TYR A 10 0.304 -5.605 -25.692 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.149 -4.688 -27.079 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.698 -4.882 -28.140 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.702 -4.344 -29.047 1.00 22.32 H new ATOM 0 HD1 TYR A 10 1.453 -3.486 -26.127 1.00 54.11 H new ATOM 0 HD2 TYR A 10 -1.425 -2.072 -28.934 1.00 15.21 H new ATOM 0 HE1 TYR A 10 1.852 -1.183 -25.375 1.00 20.31 H new ATOM 0 HE2 TYR A 10 -1.026 0.230 -28.186 1.00 22.30 H new ATOM 0 HH TYR A 10 0.090 1.566 -26.824 1.00 41.33 H new ATOM 138 N GLY A 11 -2.488 -6.836 -28.284 1.00 41.24 N ATOM 139 CA GLY A 11 -2.759 -8.152 -28.833 1.00 3.41 C ATOM 140 C GLY A 11 -4.001 -8.173 -29.700 1.00 42.14 C ATOM 141 O GLY A 11 -4.421 -7.140 -30.222 1.00 61.14 O ATOM 0 H GLY A 11 -3.231 -6.152 -28.424 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -1.903 -8.480 -29.422 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -2.877 -8.865 -28.017 1.00 3.41 H new ATOM 145 N ILE A 12 -4.590 -9.354 -29.858 1.00 0.23 N ATOM 146 CA ILE A 12 -5.792 -9.506 -30.670 1.00 21.20 C ATOM 147 C ILE A 12 -6.813 -10.401 -29.978 1.00 0.25 C ATOM 148 O ILE A 12 -6.459 -11.240 -29.147 1.00 72.24 O ATOM 149 CB ILE A 12 -5.464 -10.093 -32.056 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.906 -11.510 -31.914 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.475 -9.199 -32.789 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.637 -12.188 -33.239 1.00 42.40 C ATOM 0 H ILE A 12 -4.255 -10.219 -29.435 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.215 -8.510 -30.798 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.382 -10.141 -32.641 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -3.980 -11.472 -31.340 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.611 -12.114 -31.342 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.253 -9.627 -33.767 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.907 -8.207 -32.917 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.555 -9.122 -32.209 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.243 -13.189 -33.062 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.565 -12.258 -33.807 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.909 -11.606 -33.804 1.00 42.40 H new ATOM 164 N LYS A 13 -8.082 -10.223 -30.328 1.00 73.52 N ATOM 165 CA LYS A 13 -9.157 -11.017 -29.744 1.00 71.53 C ATOM 166 C LYS A 13 -9.493 -12.212 -30.630 1.00 42.41 C ATOM 167 O LYS A 13 -10.657 -12.448 -30.953 1.00 70.40 O ATOM 168 CB LYS A 13 -10.403 -10.153 -29.539 1.00 10.01 C ATOM 169 CG LYS A 13 -11.329 -10.671 -28.452 1.00 12.21 C ATOM 170 CD LYS A 13 -10.879 -10.219 -27.073 1.00 11.45 C ATOM 171 CE LYS A 13 -11.762 -10.800 -25.979 1.00 71.10 C ATOM 172 NZ LYS A 13 -13.178 -10.359 -26.117 1.00 71.14 N ATOM 0 H LYS A 13 -8.392 -9.535 -31.014 1.00 73.52 H new ATOM 0 HA LYS A 13 -8.817 -11.388 -28.777 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.094 -9.138 -29.289 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.954 -10.096 -30.478 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -12.343 -10.318 -28.638 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -11.359 -11.760 -28.487 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -9.846 -10.524 -26.908 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -10.902 -9.131 -27.020 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -11.715 -11.888 -26.014 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -11.380 -10.496 -25.004 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -13.711 -10.633 -25.267 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -13.210 -9.325 -26.228 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -13.602 -10.810 -26.952 1.00 71.14 H new ATOM 186 N ASN A 14 -8.468 -12.962 -31.018 1.00 14.55 N ATOM 187 CA ASN A 14 -8.656 -14.133 -31.866 1.00 43.33 C ATOM 188 C ASN A 14 -7.509 -15.124 -31.688 1.00 4.54 C ATOM 189 O ASN A 14 -7.157 -15.855 -32.614 1.00 13.15 O ATOM 190 CB ASN A 14 -8.759 -13.714 -33.334 1.00 12.44 C ATOM 191 CG ASN A 14 -9.302 -14.823 -34.215 1.00 1.15 C ATOM 192 OD1 ASN A 14 -10.073 -15.670 -33.761 1.00 11.24 O ATOM 193 ND2 ASN A 14 -8.903 -14.823 -35.481 1.00 4.23 N ATOM 0 H ASN A 14 -7.498 -12.780 -30.759 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.584 -14.621 -31.568 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -9.405 -12.840 -33.415 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -7.774 -13.417 -33.694 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -9.236 -15.544 -36.121 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -8.263 -14.102 -35.814 1.00 4.23 H new ATOM 200 N CYS A 15 -6.932 -15.143 -30.491 1.00 13.42 N ATOM 201 CA CYS A 15 -5.825 -16.044 -30.191 1.00 5.12 C ATOM 202 C CYS A 15 -6.006 -16.689 -28.820 1.00 45.42 C ATOM 203 O CYS A 15 -7.000 -16.449 -28.137 1.00 62.11 O ATOM 204 CB CYS A 15 -4.497 -15.287 -30.240 1.00 22.14 C ATOM 205 SG CYS A 15 -4.498 -13.732 -29.318 1.00 2.24 S ATOM 0 H CYS A 15 -7.212 -14.545 -29.713 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.814 -16.831 -30.945 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -3.710 -15.930 -29.846 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -4.248 -15.080 -31.281 1.00 22.14 H new ATOM 0 HG CYS A 15 -5.635 -13.126 -29.491 1.00 2.24 H new ATOM 211 N ASP A 16 -5.038 -17.510 -28.426 1.00 14.03 N ATOM 212 CA ASP A 16 -5.091 -18.191 -27.139 1.00 11.23 C ATOM 213 C ASP A 16 -4.012 -17.660 -26.199 1.00 34.34 C ATOM 214 O ASP A 16 -4.189 -17.641 -24.980 1.00 45.12 O ATOM 215 CB ASP A 16 -4.923 -19.699 -27.327 1.00 50.21 C ATOM 216 CG ASP A 16 -3.956 -20.038 -28.445 1.00 54.43 C ATOM 217 OD1 ASP A 16 -2.792 -19.591 -28.378 1.00 34.04 O ATOM 218 OD2 ASP A 16 -4.364 -20.751 -29.387 1.00 34.14 O ATOM 0 H ASP A 16 -4.208 -17.719 -28.980 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.066 -17.996 -26.693 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -4.567 -20.141 -26.396 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -5.894 -20.146 -27.542 1.00 50.21 H new ATOM 223 N THR A 17 -2.893 -17.229 -26.774 1.00 62.21 N ATOM 224 CA THR A 17 -1.785 -16.701 -25.988 1.00 10.24 C ATOM 225 C THR A 17 -2.243 -15.553 -25.097 1.00 43.54 C ATOM 226 O THR A 17 -1.862 -15.471 -23.929 1.00 32.13 O ATOM 227 CB THR A 17 -0.640 -16.209 -26.893 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.712 -16.855 -28.169 1.00 51.14 O ATOM 229 CG2 THR A 17 0.712 -16.486 -26.254 1.00 13.05 C ATOM 0 H THR A 17 -2.731 -17.235 -27.781 1.00 62.21 H new ATOM 0 HA THR A 17 -1.420 -17.518 -25.365 1.00 10.24 H new ATOM 0 HB THR A 17 -0.748 -15.132 -27.025 1.00 64.53 H new ATOM 0 HG1 THR A 17 0.167 -17.223 -28.399 1.00 51.14 H new ATOM 0 HG21 THR A 17 1.505 -16.130 -26.912 1.00 13.05 H new ATOM 0 HG22 THR A 17 0.775 -15.969 -25.297 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.827 -17.558 -26.095 1.00 13.05 H new ATOM 237 N MET A 18 -3.062 -14.667 -25.653 1.00 61.22 N ATOM 238 CA MET A 18 -3.573 -13.523 -24.906 1.00 4.42 C ATOM 239 C MET A 18 -4.470 -13.979 -23.761 1.00 72.34 C ATOM 240 O MET A 18 -4.524 -13.343 -22.709 1.00 54.40 O ATOM 241 CB MET A 18 -4.347 -12.585 -25.835 1.00 41.43 C ATOM 242 CG MET A 18 -3.454 -11.765 -26.752 1.00 42.31 C ATOM 243 SD MET A 18 -2.452 -10.564 -25.854 1.00 61.21 S ATOM 244 CE MET A 18 -3.724 -9.612 -25.027 1.00 35.43 C ATOM 0 H MET A 18 -3.386 -14.719 -26.619 1.00 61.22 H new ATOM 0 HA MET A 18 -2.723 -12.985 -24.486 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.034 -13.174 -26.442 1.00 41.43 H new ATOM 0 HB3 MET A 18 -4.953 -11.909 -25.232 1.00 41.43 H new ATOM 0 HG2 MET A 18 -2.799 -12.435 -27.309 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.072 -11.243 -27.483 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.513 -8.548 -25.139 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.694 -9.838 -25.470 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.740 -9.869 -23.968 1.00 35.43 H new ATOM 254 N LYS A 19 -5.176 -15.086 -23.972 1.00 34.45 N ATOM 255 CA LYS A 19 -6.071 -15.628 -22.957 1.00 44.21 C ATOM 256 C LYS A 19 -5.297 -16.030 -21.707 1.00 43.12 C ATOM 257 O LYS A 19 -5.640 -15.629 -20.595 1.00 22.52 O ATOM 258 CB LYS A 19 -6.830 -16.836 -23.511 1.00 42.21 C ATOM 259 CG LYS A 19 -8.300 -16.560 -23.781 1.00 0.44 C ATOM 260 CD LYS A 19 -9.055 -16.261 -22.498 1.00 30.12 C ATOM 261 CE LYS A 19 -9.798 -17.487 -21.990 1.00 54.50 C ATOM 262 NZ LYS A 19 -10.589 -17.188 -20.763 1.00 12.14 N ATOM 0 H LYS A 19 -5.145 -15.625 -24.837 1.00 34.45 H new ATOM 0 HA LYS A 19 -6.785 -14.851 -22.685 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -6.354 -17.160 -24.436 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.748 -17.662 -22.804 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.393 -15.716 -24.464 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.748 -17.422 -24.276 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -8.357 -15.916 -21.736 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.763 -15.451 -22.672 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.464 -17.857 -22.770 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -9.084 -18.282 -21.777 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -10.554 -18.004 -20.120 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.189 -16.355 -20.287 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.577 -16.996 -21.025 1.00 12.14 H new ATOM 276 N LYS A 20 -4.248 -16.824 -21.896 1.00 34.44 N ATOM 277 CA LYS A 20 -3.422 -17.279 -20.784 1.00 13.54 C ATOM 278 C LYS A 20 -2.647 -16.117 -20.171 1.00 54.33 C ATOM 279 O LYS A 20 -2.489 -16.038 -18.953 1.00 71.32 O ATOM 280 CB LYS A 20 -2.448 -18.362 -21.254 1.00 51.40 C ATOM 281 CG LYS A 20 -1.589 -17.939 -22.433 1.00 41.13 C ATOM 282 CD LYS A 20 -0.621 -19.036 -22.840 1.00 21.45 C ATOM 283 CE LYS A 20 -1.307 -20.102 -23.679 1.00 33.50 C ATOM 284 NZ LYS A 20 -0.342 -21.119 -24.183 1.00 30.33 N ATOM 0 H LYS A 20 -3.950 -17.166 -22.810 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.081 -17.697 -20.023 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.799 -18.640 -20.424 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -3.013 -19.253 -21.528 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -2.229 -17.686 -23.278 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -1.032 -17.039 -22.174 1.00 41.13 H new ATOM 0 HD2 LYS A 20 0.205 -18.603 -23.405 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -0.192 -19.493 -21.948 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -2.075 -20.595 -23.083 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -1.812 -19.631 -24.523 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -0.849 -21.828 -24.750 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 0.377 -20.653 -24.773 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 0.121 -21.587 -23.378 1.00 30.33 H new ATOM 298 N ALA A 21 -2.167 -15.217 -21.023 1.00 53.12 N ATOM 299 CA ALA A 21 -1.413 -14.057 -20.563 1.00 1.22 C ATOM 300 C ALA A 21 -2.290 -13.123 -19.737 1.00 43.50 C ATOM 301 O ALA A 21 -1.852 -12.581 -18.722 1.00 22.15 O ATOM 302 CB ALA A 21 -0.816 -13.313 -21.749 1.00 20.30 C ATOM 0 H ALA A 21 -2.287 -15.269 -22.035 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.604 -14.411 -19.924 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.256 -12.449 -21.392 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.148 -13.978 -22.297 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -1.616 -12.979 -22.409 1.00 20.30 H new ATOM 308 N ARG A 22 -3.530 -12.940 -20.177 1.00 25.34 N ATOM 309 CA ARG A 22 -4.468 -12.069 -19.479 1.00 62.34 C ATOM 310 C ARG A 22 -4.884 -12.679 -18.143 1.00 32.15 C ATOM 311 O ARG A 22 -4.875 -12.004 -17.113 1.00 70.51 O ATOM 312 CB ARG A 22 -5.705 -11.818 -20.344 1.00 44.13 C ATOM 313 CG ARG A 22 -5.494 -10.760 -21.415 1.00 55.33 C ATOM 314 CD ARG A 22 -6.757 -10.537 -22.234 1.00 32.33 C ATOM 315 NE ARG A 22 -7.873 -10.085 -21.407 1.00 60.44 N ATOM 316 CZ ARG A 22 -9.061 -9.750 -21.897 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.288 -9.820 -23.202 1.00 3.41 N ATOM 318 NH2 ARG A 22 -10.027 -9.347 -21.080 1.00 10.54 N ATOM 0 H ARG A 22 -3.909 -13.383 -21.014 1.00 25.34 H new ATOM 0 HA ARG A 22 -3.969 -11.119 -19.287 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.000 -12.752 -20.821 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.531 -11.513 -19.702 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.192 -9.823 -20.948 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -4.681 -11.065 -22.074 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -6.559 -9.799 -23.011 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.031 -11.464 -22.737 1.00 32.33 H new ATOM 0 HE ARG A 22 -7.732 -10.023 -20.399 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -8.549 -10.132 -23.832 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -10.202 -9.562 -23.575 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -9.857 -9.295 -20.076 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -10.939 -9.090 -21.457 1.00 10.54 H new ATOM 332 N ILE A 23 -5.247 -13.956 -18.169 1.00 34.41 N ATOM 333 CA ILE A 23 -5.666 -14.655 -16.961 1.00 74.45 C ATOM 334 C ILE A 23 -4.534 -14.715 -15.940 1.00 44.23 C ATOM 335 O ILE A 23 -4.763 -14.595 -14.737 1.00 42.13 O ATOM 336 CB ILE A 23 -6.135 -16.088 -17.274 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.313 -16.061 -18.251 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.522 -16.811 -15.992 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.450 -17.327 -19.068 1.00 52.43 C ATOM 0 H ILE A 23 -5.260 -14.528 -19.013 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.500 -14.091 -16.543 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.312 -16.629 -17.740 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.234 -15.898 -17.692 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.195 -15.213 -18.926 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.851 -17.822 -16.230 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.660 -16.857 -15.326 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.332 -16.272 -15.501 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.305 -17.237 -19.738 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.544 -17.481 -19.654 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.600 -18.176 -18.401 1.00 52.43 H new ATOM 351 N TRP A 24 -3.313 -14.898 -16.431 1.00 31.51 N ATOM 352 CA TRP A 24 -2.144 -14.971 -15.560 1.00 62.05 C ATOM 353 C TRP A 24 -1.846 -13.613 -14.934 1.00 74.25 C ATOM 354 O TRP A 24 -1.688 -13.501 -13.718 1.00 4.31 O ATOM 355 CB TRP A 24 -0.928 -15.461 -16.347 1.00 3.42 C ATOM 356 CG TRP A 24 0.155 -16.023 -15.477 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.453 -17.342 -15.288 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.081 -15.282 -14.675 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.509 -17.466 -14.418 1.00 71.32 N ATOM 360 CE2 TRP A 24 1.913 -16.217 -14.029 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.291 -13.919 -14.443 1.00 41.34 C ATOM 362 CZ2 TRP A 24 2.935 -15.831 -13.165 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.305 -13.539 -13.586 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.118 -14.491 -12.956 1.00 64.41 C ATOM 0 H TRP A 24 -3.107 -14.998 -17.425 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.361 -15.679 -14.760 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.247 -16.224 -17.057 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.523 -14.633 -16.930 1.00 3.42 H new ATOM 0 HD1 TRP A 24 -0.065 -18.167 -15.754 1.00 42.14 H new ATOM 0 HE1 TRP A 24 1.925 -18.346 -14.112 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.672 -13.177 -14.925 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.561 -16.563 -12.677 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.475 -12.489 -13.398 1.00 2.15 H new ATOM 0 HH2 TRP A 24 3.904 -14.161 -12.293 1.00 64.41 H new ATOM 375 N LEU A 25 -1.771 -12.584 -15.770 1.00 11.33 N ATOM 376 CA LEU A 25 -1.492 -11.232 -15.298 1.00 44.32 C ATOM 377 C LEU A 25 -2.556 -10.771 -14.308 1.00 51.32 C ATOM 378 O LEU A 25 -2.249 -10.110 -13.316 1.00 43.22 O ATOM 379 CB LEU A 25 -1.423 -10.262 -16.478 1.00 70.24 C ATOM 380 CG LEU A 25 -0.027 -9.977 -17.033 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.784 -9.155 -16.042 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.691 -11.278 -17.363 1.00 3.23 C ATOM 0 H LEU A 25 -1.900 -12.660 -16.779 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.528 -11.243 -14.789 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.039 -10.659 -17.285 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -1.870 -9.316 -16.172 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.133 -9.400 -17.952 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.774 -8.962 -16.454 1.00 21.14 H new ATOM 0 HD12 LEU A 25 0.278 -8.208 -15.855 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.881 -9.706 -15.106 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.683 -11.056 -17.757 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.785 -11.881 -16.460 1.00 3.23 H new ATOM 0 HD23 LEU A 25 0.119 -11.830 -18.109 1.00 3.23 H new ATOM 394 N GLU A 26 -3.808 -11.126 -14.583 1.00 61.23 N ATOM 395 CA GLU A 26 -4.916 -10.749 -13.714 1.00 64.31 C ATOM 396 C GLU A 26 -4.891 -11.555 -12.419 1.00 74.22 C ATOM 397 O GLU A 26 -4.997 -10.998 -11.327 1.00 53.23 O ATOM 398 CB GLU A 26 -6.251 -10.960 -14.434 1.00 32.45 C ATOM 399 CG GLU A 26 -6.754 -9.724 -15.158 1.00 31.13 C ATOM 400 CD GLU A 26 -8.265 -9.687 -15.270 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.901 -10.743 -15.074 1.00 61.24 O ATOM 402 OE2 GLU A 26 -8.813 -8.601 -15.553 1.00 13.03 O ATOM 0 H GLU A 26 -4.079 -11.673 -15.400 1.00 61.23 H new ATOM 0 HA GLU A 26 -4.807 -9.693 -13.466 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.142 -11.772 -15.153 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.000 -11.275 -13.708 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.411 -8.834 -14.631 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -6.319 -9.690 -16.157 1.00 31.13 H new ATOM 409 N ASP A 27 -4.750 -12.871 -12.550 1.00 34.31 N ATOM 410 CA ASP A 27 -4.711 -13.754 -11.391 1.00 72.41 C ATOM 411 C ASP A 27 -3.616 -13.327 -10.419 1.00 33.14 C ATOM 412 O ASP A 27 -3.800 -13.370 -9.202 1.00 3.11 O ATOM 413 CB ASP A 27 -4.482 -15.200 -11.834 1.00 42.32 C ATOM 414 CG ASP A 27 -4.233 -16.132 -10.663 1.00 63.52 C ATOM 415 OD1 ASP A 27 -5.205 -16.466 -9.955 1.00 45.10 O ATOM 416 OD2 ASP A 27 -3.066 -16.524 -10.454 1.00 71.12 O ATOM 0 H ASP A 27 -4.661 -13.348 -13.447 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.671 -13.686 -10.880 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -5.351 -15.548 -12.393 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.630 -15.238 -12.513 1.00 42.32 H new ATOM 421 N HIS A 28 -2.476 -12.915 -10.964 1.00 21.13 N ATOM 422 CA HIS A 28 -1.350 -12.480 -10.144 1.00 13.54 C ATOM 423 C HIS A 28 -1.650 -11.141 -9.476 1.00 43.42 C ATOM 424 O HIS A 28 -0.983 -10.752 -8.519 1.00 0.32 O ATOM 425 CB HIS A 28 -0.086 -12.366 -10.996 1.00 14.43 C ATOM 426 CG HIS A 28 1.178 -12.602 -10.228 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.801 -13.830 -10.163 1.00 12.03 N ATOM 428 CD2 HIS A 28 1.937 -11.757 -9.490 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.887 -13.732 -9.417 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.992 -12.484 -8.997 1.00 21.13 N ATOM 0 H HIS A 28 -2.307 -12.873 -11.969 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.189 -13.226 -9.366 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.143 -13.084 -11.814 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.049 -11.373 -11.445 1.00 14.43 H new ATOM 0 HD1 HIS A 28 1.474 -14.682 -10.620 1.00 12.03 H new ATOM 0 HD2 HIS A 28 1.748 -10.707 -9.321 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.572 -14.535 -9.189 1.00 24.52 H new ATOM 438 N GLY A 29 -2.658 -10.443 -9.988 1.00 43.32 N ATOM 439 CA GLY A 29 -3.028 -9.155 -9.428 1.00 61.30 C ATOM 440 C GLY A 29 -2.159 -8.027 -9.948 1.00 13.24 C ATOM 441 O GLY A 29 -1.777 -7.131 -9.193 1.00 52.32 O ATOM 0 H GLY A 29 -3.225 -10.745 -10.780 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.071 -8.945 -9.665 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -2.950 -9.198 -8.342 1.00 61.30 H new ATOM 445 N ILE A 30 -1.844 -8.069 -11.237 1.00 54.44 N ATOM 446 CA ILE A 30 -1.015 -7.043 -11.855 1.00 74.22 C ATOM 447 C ILE A 30 -1.862 -6.059 -12.655 1.00 61.31 C ATOM 448 O ILE A 30 -2.853 -6.440 -13.278 1.00 14.22 O ATOM 449 CB ILE A 30 0.048 -7.661 -12.784 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.943 -8.623 -12.000 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.881 -6.568 -13.437 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.857 -9.448 -12.878 1.00 25.45 C ATOM 0 H ILE A 30 -2.151 -8.804 -11.875 1.00 54.44 H new ATOM 0 HA ILE A 30 -0.514 -6.513 -11.045 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.459 -8.222 -13.569 1.00 33.02 H new ATOM 0 HG12 ILE A 30 1.547 -8.052 -11.295 1.00 74.32 H new ATOM 0 HG13 ILE A 30 0.316 -9.293 -11.412 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.627 -7.020 -14.090 1.00 52.12 H new ATOM 0 HG22 ILE A 30 0.232 -5.917 -14.023 1.00 52.12 H new ATOM 0 HG23 ILE A 30 1.381 -5.982 -12.666 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.462 -10.107 -12.255 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.259 -10.046 -13.565 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.510 -8.786 -13.447 1.00 25.45 H new ATOM 464 N ASP A 31 -1.463 -4.791 -12.635 1.00 75.12 N ATOM 465 CA ASP A 31 -2.185 -3.752 -13.360 1.00 21.24 C ATOM 466 C ASP A 31 -1.722 -3.682 -14.813 1.00 75.12 C ATOM 467 O ASP A 31 -0.524 -3.614 -15.090 1.00 63.43 O ATOM 468 CB ASP A 31 -1.984 -2.395 -12.683 1.00 24.41 C ATOM 469 CG ASP A 31 -2.916 -1.332 -13.231 1.00 12.42 C ATOM 470 OD1 ASP A 31 -3.653 -1.628 -14.194 1.00 60.30 O ATOM 471 OD2 ASP A 31 -2.908 -0.202 -12.697 1.00 24.32 O ATOM 0 H ASP A 31 -0.644 -4.459 -12.125 1.00 75.12 H new ATOM 0 HA ASP A 31 -3.246 -4.003 -13.346 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -2.147 -2.499 -11.610 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -0.951 -2.074 -12.819 1.00 24.41 H new ATOM 476 N TYR A 32 -2.677 -3.701 -15.734 1.00 1.34 N ATOM 477 CA TYR A 32 -2.368 -3.643 -17.158 1.00 14.55 C ATOM 478 C TYR A 32 -3.640 -3.482 -17.986 1.00 23.04 C ATOM 479 O TYR A 32 -4.638 -4.166 -17.754 1.00 43.04 O ATOM 480 CB TYR A 32 -1.622 -4.907 -17.590 1.00 44.01 C ATOM 481 CG TYR A 32 -2.510 -6.124 -17.709 1.00 2.43 C ATOM 482 CD1 TYR A 32 -3.224 -6.596 -16.614 1.00 2.21 C ATOM 483 CD2 TYR A 32 -2.635 -6.802 -18.914 1.00 41.42 C ATOM 484 CE1 TYR A 32 -4.037 -7.709 -16.718 1.00 1.10 C ATOM 485 CE2 TYR A 32 -3.446 -7.915 -19.028 1.00 0.12 C ATOM 486 CZ TYR A 32 -4.144 -8.365 -17.927 1.00 70.01 C ATOM 487 OH TYR A 32 -4.953 -9.473 -18.035 1.00 34.31 O ATOM 0 H TYR A 32 -3.673 -3.756 -15.521 1.00 1.34 H new ATOM 0 HA TYR A 32 -1.732 -2.775 -17.331 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -1.140 -4.724 -18.551 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -0.830 -5.115 -16.871 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -3.142 -6.085 -15.666 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -2.089 -6.453 -19.778 1.00 41.42 H new ATOM 0 HE1 TYR A 32 -4.585 -8.063 -15.858 1.00 1.10 H new ATOM 0 HE2 TYR A 32 -3.533 -8.429 -19.974 1.00 0.12 H new ATOM 0 HH TYR A 32 -4.598 -10.193 -17.473 1.00 34.31 H new ATOM 497 N THR A 33 -3.595 -2.572 -18.954 1.00 12.42 N ATOM 498 CA THR A 33 -4.742 -2.319 -19.817 1.00 70.00 C ATOM 499 C THR A 33 -4.702 -3.204 -21.058 1.00 44.51 C ATOM 500 O THR A 33 -3.660 -3.347 -21.697 1.00 22.54 O ATOM 501 CB THR A 33 -4.802 -0.844 -20.254 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.621 0.011 -19.119 1.00 62.20 O ATOM 503 CG2 THR A 33 -6.131 -0.530 -20.925 1.00 52.41 C ATOM 0 H THR A 33 -2.777 -1.998 -19.160 1.00 12.42 H new ATOM 0 HA THR A 33 -5.633 -2.554 -19.235 1.00 70.00 H new ATOM 0 HB THR A 33 -4.001 -0.669 -20.972 1.00 0.30 H new ATOM 0 HG1 THR A 33 -4.659 0.947 -19.406 1.00 62.20 H new ATOM 0 HG21 THR A 33 -6.149 0.518 -21.225 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.252 -1.161 -21.805 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.946 -0.722 -20.226 1.00 52.41 H new ATOM 511 N PHE A 34 -5.844 -3.795 -21.395 1.00 20.02 N ATOM 512 CA PHE A 34 -5.939 -4.665 -22.561 1.00 51.35 C ATOM 513 C PHE A 34 -6.161 -3.851 -23.832 1.00 63.42 C ATOM 514 O PHE A 34 -7.194 -3.201 -23.993 1.00 51.44 O ATOM 515 CB PHE A 34 -7.077 -5.671 -22.381 1.00 74.40 C ATOM 516 CG PHE A 34 -7.355 -6.489 -23.610 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.315 -7.060 -24.327 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.654 -6.688 -24.047 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.567 -7.813 -25.459 1.00 11.43 C ATOM 520 CE2 PHE A 34 -8.912 -7.441 -25.178 1.00 31.14 C ATOM 521 CZ PHE A 34 -7.867 -8.003 -25.885 1.00 71.33 C ATOM 0 H PHE A 34 -6.716 -3.687 -20.877 1.00 20.02 H new ATOM 0 HA PHE A 34 -4.997 -5.205 -22.657 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.832 -6.341 -21.557 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -7.983 -5.135 -22.098 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.297 -6.915 -23.998 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.475 -6.250 -23.498 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -5.748 -8.252 -26.009 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -9.930 -7.589 -25.508 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.066 -8.590 -26.769 1.00 71.33 H new ATOM 531 N HIS A 35 -5.183 -3.892 -24.732 1.00 30.12 N ATOM 532 CA HIS A 35 -5.272 -3.158 -25.990 1.00 4.21 C ATOM 533 C HIS A 35 -5.302 -4.115 -27.177 1.00 71.42 C ATOM 534 O HIS A 35 -4.404 -4.942 -27.344 1.00 23.35 O ATOM 535 CB HIS A 35 -4.092 -2.194 -26.127 1.00 32.13 C ATOM 536 CG HIS A 35 -4.332 -1.089 -27.108 1.00 2.30 C ATOM 537 ND1 HIS A 35 -4.668 0.193 -26.728 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.281 -1.079 -28.460 1.00 54.12 C ATOM 539 CE1 HIS A 35 -4.815 0.945 -27.806 1.00 51.22 C ATOM 540 NE2 HIS A 35 -4.586 0.196 -28.869 1.00 32.22 N ATOM 0 H HIS A 35 -4.321 -4.425 -24.614 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.200 -2.586 -25.983 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.872 -1.761 -25.151 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -3.209 -2.755 -26.433 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -4.045 -1.917 -29.098 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -5.077 1.993 -27.815 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -4.629 0.513 -29.837 1.00 32.22 H new ATOM 548 N ASP A 36 -6.339 -3.999 -27.998 1.00 25.23 N ATOM 549 CA ASP A 36 -6.486 -4.855 -29.171 1.00 42.21 C ATOM 550 C ASP A 36 -6.227 -4.069 -30.453 1.00 1.23 C ATOM 551 O ASP A 36 -6.643 -2.917 -30.581 1.00 31.51 O ATOM 552 CB ASP A 36 -7.887 -5.468 -29.208 1.00 24.32 C ATOM 553 CG ASP A 36 -7.882 -6.889 -29.735 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.003 -7.066 -30.965 1.00 21.31 O ATOM 555 OD2 ASP A 36 -7.760 -7.826 -28.917 1.00 70.42 O ATOM 0 H ASP A 36 -7.091 -3.321 -27.874 1.00 25.23 H new ATOM 0 HA ASP A 36 -5.749 -5.655 -29.102 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.312 -5.457 -28.204 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.533 -4.853 -29.835 1.00 24.32 H new ATOM 560 N TYR A 37 -5.537 -4.699 -31.397 1.00 30.14 N ATOM 561 CA TYR A 37 -5.219 -4.059 -32.667 1.00 33.02 C ATOM 562 C TYR A 37 -6.467 -3.913 -33.531 1.00 52.25 C ATOM 563 O TYR A 37 -6.646 -2.909 -34.222 1.00 44.22 O ATOM 564 CB TYR A 37 -4.156 -4.865 -33.416 1.00 4.33 C ATOM 565 CG TYR A 37 -2.794 -4.826 -32.762 1.00 34.33 C ATOM 566 CD1 TYR A 37 -2.274 -3.639 -32.262 1.00 30.14 C ATOM 567 CD2 TYR A 37 -2.026 -5.979 -32.644 1.00 74.22 C ATOM 568 CE1 TYR A 37 -1.029 -3.600 -31.664 1.00 74.45 C ATOM 569 CE2 TYR A 37 -0.781 -5.949 -32.048 1.00 34.11 C ATOM 570 CZ TYR A 37 -0.287 -4.757 -31.559 1.00 12.12 C ATOM 571 OH TYR A 37 0.953 -4.723 -30.964 1.00 41.03 O ATOM 0 H TYR A 37 -5.187 -5.653 -31.306 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.828 -3.064 -32.456 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -4.484 -5.902 -33.491 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -4.072 -4.483 -34.433 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -2.853 -2.731 -32.342 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -2.410 -6.914 -33.025 1.00 74.22 H new ATOM 0 HE1 TYR A 37 -0.639 -2.668 -31.281 1.00 74.45 H new ATOM 0 HE2 TYR A 37 -0.197 -6.854 -31.965 1.00 34.11 H new ATOM 0 HH TYR A 37 1.343 -5.622 -30.969 1.00 41.03 H new ATOM 581 N LYS A 38 -7.330 -4.923 -33.489 1.00 0.11 N ATOM 582 CA LYS A 38 -8.563 -4.910 -34.265 1.00 54.34 C ATOM 583 C LYS A 38 -9.608 -4.011 -33.611 1.00 63.30 C ATOM 584 O LYS A 38 -10.142 -3.099 -34.244 1.00 51.11 O ATOM 585 CB LYS A 38 -9.115 -6.330 -34.409 1.00 63.31 C ATOM 586 CG LYS A 38 -8.522 -7.098 -35.578 1.00 54.42 C ATOM 587 CD LYS A 38 -9.313 -6.869 -36.854 1.00 63.40 C ATOM 588 CE LYS A 38 -8.808 -5.650 -37.613 1.00 74.30 C ATOM 589 NZ LYS A 38 -9.161 -5.711 -39.057 1.00 30.43 N ATOM 0 H LYS A 38 -7.197 -5.762 -32.924 1.00 0.11 H new ATOM 0 HA LYS A 38 -8.336 -4.513 -35.254 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.922 -6.881 -33.488 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -10.197 -6.280 -34.530 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -7.488 -6.790 -35.730 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -8.506 -8.163 -35.345 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -9.241 -7.751 -37.491 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -10.367 -6.736 -36.611 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -9.232 -4.747 -37.173 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -7.726 -5.579 -37.506 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -8.800 -4.863 -39.539 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -8.736 -6.559 -39.483 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -10.195 -5.753 -39.160 1.00 30.43 H new ATOM 603 N LYS A 39 -9.895 -4.273 -32.340 1.00 13.11 N ATOM 604 CA LYS A 39 -10.874 -3.486 -31.599 1.00 43.13 C ATOM 605 C LYS A 39 -10.537 -2.000 -31.660 1.00 2.14 C ATOM 606 O LYS A 39 -11.403 -1.169 -31.932 1.00 41.33 O ATOM 607 CB LYS A 39 -10.931 -3.949 -30.141 1.00 74.40 C ATOM 608 CG LYS A 39 -12.252 -3.642 -29.457 1.00 14.42 C ATOM 609 CD LYS A 39 -12.253 -4.111 -28.012 1.00 32.52 C ATOM 610 CE LYS A 39 -13.374 -3.461 -27.216 1.00 13.12 C ATOM 611 NZ LYS A 39 -13.256 -3.742 -25.758 1.00 4.24 N ATOM 0 H LYS A 39 -9.463 -5.024 -31.802 1.00 13.11 H new ATOM 0 HA LYS A 39 -11.850 -3.637 -32.060 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.753 -5.024 -30.102 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -10.124 -3.472 -29.585 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -12.441 -2.569 -29.492 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -13.065 -4.127 -29.998 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -12.364 -5.195 -27.980 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -11.294 -3.875 -27.551 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -13.358 -2.384 -27.380 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -14.335 -3.825 -27.579 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -14.039 -3.281 -25.251 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -13.297 -4.769 -25.598 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -12.350 -3.372 -25.405 1.00 4.24 H new ATOM 625 N GLU A 40 -9.274 -1.674 -31.406 1.00 43.23 N ATOM 626 CA GLU A 40 -8.823 -0.287 -31.432 1.00 30.23 C ATOM 627 C GLU A 40 -8.472 0.143 -32.854 1.00 71.01 C ATOM 628 O GLU A 40 -9.178 0.946 -33.464 1.00 70.35 O ATOM 629 CB GLU A 40 -7.611 -0.104 -30.517 1.00 33.12 C ATOM 630 CG GLU A 40 -7.841 -0.588 -29.096 1.00 71.13 C ATOM 631 CD GLU A 40 -9.122 -0.043 -28.494 1.00 51.30 C ATOM 632 OE1 GLU A 40 -9.122 1.129 -28.061 1.00 11.55 O ATOM 633 OE2 GLU A 40 -10.125 -0.787 -28.456 1.00 43.15 O ATOM 0 H GLU A 40 -8.545 -2.351 -31.180 1.00 43.23 H new ATOM 0 HA GLU A 40 -9.638 0.341 -31.071 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -6.762 -0.640 -30.941 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -7.341 0.952 -30.493 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -7.875 -1.677 -29.088 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -6.997 -0.291 -28.474 1.00 71.13 H new ATOM 640 N GLY A 41 -7.374 -0.396 -33.375 1.00 12.45 N ATOM 641 CA GLY A 41 -6.946 -0.057 -34.719 1.00 0.44 C ATOM 642 C GLY A 41 -5.494 0.371 -34.774 1.00 54.13 C ATOM 643 O GLY A 41 -5.132 1.434 -34.270 1.00 32.21 O ATOM 0 H GLY A 41 -6.773 -1.062 -32.890 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -7.093 -0.918 -35.372 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -7.573 0.747 -35.105 1.00 0.44 H new ATOM 647 N LEU A 42 -4.658 -0.458 -35.390 1.00 61.22 N ATOM 648 CA LEU A 42 -3.234 -0.162 -35.508 1.00 32.11 C ATOM 649 C LEU A 42 -2.973 0.795 -36.666 1.00 60.11 C ATOM 650 O LEU A 42 -3.148 0.437 -37.831 1.00 61.12 O ATOM 651 CB LEU A 42 -2.439 -1.452 -35.707 1.00 31.00 C ATOM 652 CG LEU A 42 -0.984 -1.424 -35.240 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.186 -0.406 -36.040 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.908 -1.111 -33.752 1.00 25.43 C ATOM 0 H LEU A 42 -4.942 -1.341 -35.816 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.909 0.317 -34.584 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.953 -2.256 -35.181 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -2.454 -1.704 -36.767 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.550 -2.410 -35.408 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.847 -0.400 -35.693 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -0.213 -0.672 -37.097 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.620 0.585 -35.904 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.135 -1.095 -33.436 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -1.360 -0.137 -33.561 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.445 -1.876 -33.191 1.00 25.43 H new ATOM 666 N ASP A 43 -2.551 2.011 -36.339 1.00 24.10 N ATOM 667 CA ASP A 43 -2.261 3.018 -37.353 1.00 33.24 C ATOM 668 C ASP A 43 -0.799 2.953 -37.782 1.00 21.14 C ATOM 669 O ASP A 43 0.053 2.454 -37.047 1.00 4.53 O ATOM 670 CB ASP A 43 -2.587 4.416 -36.822 1.00 14.14 C ATOM 671 CG ASP A 43 -3.932 4.470 -36.124 1.00 53.01 C ATOM 672 OD1 ASP A 43 -4.032 3.957 -34.990 1.00 52.23 O ATOM 673 OD2 ASP A 43 -4.883 5.025 -36.712 1.00 4.11 O ATOM 0 H ASP A 43 -2.402 2.324 -35.380 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.886 2.812 -38.222 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -1.807 4.729 -36.127 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -2.581 5.126 -37.649 1.00 14.14 H new ATOM 678 N ALA A 44 -0.515 3.460 -38.978 1.00 11.33 N ATOM 679 CA ALA A 44 0.844 3.460 -39.504 1.00 41.31 C ATOM 680 C ALA A 44 1.821 4.067 -38.504 1.00 2.35 C ATOM 681 O ALA A 44 2.957 3.611 -38.377 1.00 3.31 O ATOM 682 CB ALA A 44 0.899 4.215 -40.824 1.00 54.41 C ATOM 0 H ALA A 44 -1.208 3.876 -39.600 1.00 11.33 H new ATOM 0 HA ALA A 44 1.140 2.425 -39.677 1.00 41.31 H new ATOM 0 HB1 ALA A 44 1.920 4.207 -41.205 1.00 54.41 H new ATOM 0 HB2 ALA A 44 0.238 3.735 -41.546 1.00 54.41 H new ATOM 0 HB3 ALA A 44 0.578 5.245 -40.668 1.00 54.41 H new ATOM 688 N GLU A 45 1.371 5.099 -37.796 1.00 21.11 N ATOM 689 CA GLU A 45 2.208 5.769 -36.808 1.00 32.33 C ATOM 690 C GLU A 45 2.643 4.798 -35.714 1.00 22.11 C ATOM 691 O GLU A 45 3.828 4.694 -35.394 1.00 3.32 O ATOM 692 CB GLU A 45 1.457 6.949 -36.187 1.00 25.10 C ATOM 693 CG GLU A 45 2.369 8.053 -35.680 1.00 65.44 C ATOM 694 CD GLU A 45 2.781 9.019 -36.774 1.00 54.25 C ATOM 695 OE1 GLU A 45 2.640 8.664 -37.964 1.00 35.42 O ATOM 696 OE2 GLU A 45 3.244 10.130 -36.441 1.00 31.22 O ATOM 0 H GLU A 45 0.433 5.488 -37.888 1.00 21.11 H new ATOM 0 HA GLU A 45 3.098 6.140 -37.316 1.00 32.33 H new ATOM 0 HB2 GLU A 45 0.775 7.365 -36.928 1.00 25.10 H new ATOM 0 HB3 GLU A 45 0.847 6.586 -35.360 1.00 25.10 H new ATOM 0 HG2 GLU A 45 1.861 8.603 -34.887 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.261 7.608 -35.239 1.00 65.44 H new ATOM 703 N THR A 46 1.677 4.087 -35.143 1.00 73.34 N ATOM 704 CA THR A 46 1.957 3.125 -34.085 1.00 14.20 C ATOM 705 C THR A 46 2.860 2.004 -34.587 1.00 20.44 C ATOM 706 O THR A 46 3.830 1.629 -33.925 1.00 51.10 O ATOM 707 CB THR A 46 0.660 2.512 -33.524 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.438 3.404 -33.742 1.00 61.33 O ATOM 709 CG2 THR A 46 0.798 2.225 -32.036 1.00 1.32 C ATOM 0 H THR A 46 0.692 4.159 -35.396 1.00 73.34 H new ATOM 0 HA THR A 46 2.466 3.670 -33.289 1.00 14.20 H new ATOM 0 HB THR A 46 0.473 1.573 -34.045 1.00 72.32 H new ATOM 0 HG1 THR A 46 -1.259 3.006 -33.384 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.130 1.793 -31.661 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.616 1.523 -31.875 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.006 3.153 -31.504 1.00 1.32 H new ATOM 717 N LEU A 47 2.536 1.470 -35.760 1.00 41.05 N ATOM 718 CA LEU A 47 3.320 0.391 -36.352 1.00 30.54 C ATOM 719 C LEU A 47 4.788 0.787 -36.474 1.00 4.21 C ATOM 720 O LEU A 47 5.677 0.048 -36.052 1.00 62.44 O ATOM 721 CB LEU A 47 2.762 0.025 -37.729 1.00 40.43 C ATOM 722 CG LEU A 47 2.939 -1.431 -38.159 1.00 30.21 C ATOM 723 CD1 LEU A 47 4.402 -1.839 -38.074 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.077 -2.348 -37.304 1.00 35.34 C ATOM 0 H LEU A 47 1.736 1.766 -36.320 1.00 41.05 H new ATOM 0 HA LEU A 47 3.251 -0.477 -35.696 1.00 30.54 H new ATOM 0 HB2 LEU A 47 1.698 0.260 -37.742 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.238 0.663 -38.473 1.00 40.43 H new ATOM 0 HG LEU A 47 2.617 -1.525 -39.196 1.00 30.21 H new ATOM 0 HD11 LEU A 47 4.508 -2.879 -38.384 1.00 72.53 H new ATOM 0 HD12 LEU A 47 4.996 -1.202 -38.730 1.00 72.53 H new ATOM 0 HD13 LEU A 47 4.751 -1.729 -37.047 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.216 -3.381 -37.624 1.00 35.34 H new ATOM 0 HD22 LEU A 47 2.368 -2.250 -36.258 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.029 -2.071 -37.416 1.00 35.34 H new ATOM 736 N ASP A 48 5.033 1.958 -37.050 1.00 1.01 N ATOM 737 CA ASP A 48 6.393 2.454 -37.225 1.00 1.33 C ATOM 738 C ASP A 48 7.072 2.664 -35.876 1.00 4.12 C ATOM 739 O ASP A 48 8.238 2.308 -35.695 1.00 45.52 O ATOM 740 CB ASP A 48 6.383 3.764 -38.013 1.00 15.35 C ATOM 741 CG ASP A 48 7.686 4.007 -38.749 1.00 42.32 C ATOM 742 OD1 ASP A 48 8.282 3.026 -39.240 1.00 70.50 O ATOM 743 OD2 ASP A 48 8.112 5.179 -38.833 1.00 12.50 O ATOM 0 H ASP A 48 4.308 2.582 -37.404 1.00 1.01 H new ATOM 0 HA ASP A 48 6.957 1.707 -37.784 1.00 1.33 H new ATOM 0 HB2 ASP A 48 5.562 3.747 -38.730 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.194 4.593 -37.331 1.00 15.35 H new ATOM 748 N ARG A 49 6.337 3.242 -34.932 1.00 40.22 N ATOM 749 CA ARG A 49 6.871 3.501 -33.600 1.00 24.55 C ATOM 750 C ARG A 49 7.341 2.207 -32.942 1.00 53.00 C ATOM 751 O ARG A 49 8.373 2.179 -32.271 1.00 73.52 O ATOM 752 CB ARG A 49 5.810 4.173 -32.725 1.00 41.24 C ATOM 753 CG ARG A 49 5.749 5.682 -32.895 1.00 35.00 C ATOM 754 CD ARG A 49 6.814 6.381 -32.065 1.00 53.11 C ATOM 755 NE ARG A 49 6.452 7.762 -31.758 1.00 73.43 N ATOM 756 CZ ARG A 49 5.581 8.099 -30.814 1.00 12.33 C ATOM 757 NH1 ARG A 49 4.988 7.161 -30.088 1.00 1.45 N ATOM 758 NH2 ARG A 49 5.302 9.378 -30.593 1.00 21.11 N ATOM 0 H ARG A 49 5.370 3.540 -35.064 1.00 40.22 H new ATOM 0 HA ARG A 49 7.726 4.169 -33.702 1.00 24.55 H new ATOM 0 HB2 ARG A 49 4.834 3.749 -32.962 1.00 41.24 H new ATOM 0 HB3 ARG A 49 6.013 3.941 -31.679 1.00 41.24 H new ATOM 0 HG2 ARG A 49 5.881 5.936 -33.947 1.00 35.00 H new ATOM 0 HG3 ARG A 49 4.763 6.042 -32.602 1.00 35.00 H new ATOM 0 HD2 ARG A 49 6.968 5.832 -31.136 1.00 53.11 H new ATOM 0 HD3 ARG A 49 7.761 6.366 -32.604 1.00 53.11 H new ATOM 0 HE ARG A 49 6.892 8.508 -32.298 1.00 73.43 H new ATOM 0 HH11 ARG A 49 5.200 6.177 -30.254 1.00 1.45 H new ATOM 0 HH12 ARG A 49 4.319 7.423 -29.364 1.00 1.45 H new ATOM 0 HH21 ARG A 49 5.757 10.103 -31.149 1.00 21.11 H new ATOM 0 HH22 ARG A 49 4.633 9.636 -29.868 1.00 21.11 H new ATOM 772 N PHE A 50 6.579 1.137 -33.139 1.00 52.05 N ATOM 773 CA PHE A 50 6.917 -0.160 -32.565 1.00 23.30 C ATOM 774 C PHE A 50 8.100 -0.787 -33.296 1.00 71.14 C ATOM 775 O PHE A 50 8.973 -1.397 -32.678 1.00 40.10 O ATOM 776 CB PHE A 50 5.710 -1.099 -32.626 1.00 63.44 C ATOM 777 CG PHE A 50 4.686 -0.829 -31.561 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.048 -0.807 -30.223 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.363 -0.595 -31.896 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.108 -0.561 -29.241 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.418 -0.347 -30.918 1.00 41.31 C ATOM 782 CZ PHE A 50 2.791 -0.329 -29.589 1.00 24.45 C ATOM 0 H PHE A 50 5.722 1.142 -33.692 1.00 52.05 H new ATOM 0 HA PHE A 50 7.197 -0.006 -31.523 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.238 -1.008 -33.604 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.056 -2.129 -32.534 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.077 -0.984 -29.945 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.066 -0.606 -32.934 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.402 -0.550 -28.202 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.389 -0.168 -31.193 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.055 -0.134 -28.823 1.00 24.45 H new ATOM 792 N LEU A 51 8.122 -0.631 -34.615 1.00 22.50 N ATOM 793 CA LEU A 51 9.198 -1.182 -35.432 1.00 0.23 C ATOM 794 C LEU A 51 10.538 -0.553 -35.064 1.00 53.31 C ATOM 795 O LEU A 51 11.568 -1.227 -35.045 1.00 22.12 O ATOM 796 CB LEU A 51 8.906 -0.955 -36.916 1.00 24.51 C ATOM 797 CG LEU A 51 9.500 -1.981 -37.883 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.018 -1.972 -37.804 1.00 70.24 C ATOM 799 CD2 LEU A 51 8.956 -3.370 -37.584 1.00 23.22 C ATOM 0 H LEU A 51 7.408 -0.128 -35.141 1.00 22.50 H new ATOM 0 HA LEU A 51 9.255 -2.253 -35.239 1.00 0.23 H new ATOM 0 HB2 LEU A 51 7.825 -0.939 -37.054 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.278 0.032 -37.192 1.00 24.51 H new ATOM 0 HG LEU A 51 9.209 -1.709 -38.897 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.423 -2.708 -38.499 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.390 -0.982 -38.067 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.331 -2.220 -36.790 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.389 -4.088 -38.281 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.218 -3.651 -36.564 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.871 -3.367 -37.693 1.00 23.22 H new ATOM 811 N LYS A 52 10.518 0.743 -34.770 1.00 72.22 N ATOM 812 CA LYS A 52 11.729 1.463 -34.398 1.00 13.04 C ATOM 813 C LYS A 52 12.269 0.967 -33.061 1.00 1.22 C ATOM 814 O LYS A 52 13.465 1.069 -32.786 1.00 22.51 O ATOM 815 CB LYS A 52 11.450 2.966 -34.322 1.00 14.41 C ATOM 816 CG LYS A 52 11.216 3.611 -35.677 1.00 64.25 C ATOM 817 CD LYS A 52 10.357 4.858 -35.561 1.00 12.02 C ATOM 818 CE LYS A 52 11.128 6.009 -34.931 1.00 32.31 C ATOM 819 NZ LYS A 52 12.025 6.678 -35.914 1.00 13.43 N ATOM 0 H LYS A 52 9.674 1.316 -34.782 1.00 72.22 H new ATOM 0 HA LYS A 52 12.482 1.277 -35.164 1.00 13.04 H new ATOM 0 HB2 LYS A 52 10.575 3.133 -33.694 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.291 3.459 -33.835 1.00 14.41 H new ATOM 0 HG2 LYS A 52 12.174 3.869 -36.128 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.732 2.896 -36.343 1.00 64.25 H new ATOM 0 HD2 LYS A 52 10.005 5.152 -36.550 1.00 12.02 H new ATOM 0 HD3 LYS A 52 9.474 4.638 -34.961 1.00 12.02 H new ATOM 0 HE2 LYS A 52 10.426 6.737 -34.525 1.00 32.31 H new ATOM 0 HE3 LYS A 52 11.719 5.636 -34.095 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 12.533 7.456 -35.447 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 12.711 5.989 -36.283 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 11.458 7.057 -36.700 1.00 13.43 H new ATOM 833 N THR A 53 11.379 0.428 -32.232 1.00 24.20 N ATOM 834 CA THR A 53 11.767 -0.085 -30.923 1.00 34.52 C ATOM 835 C THR A 53 12.075 -1.575 -30.987 1.00 21.14 C ATOM 836 O THR A 53 12.830 -2.099 -30.167 1.00 72.44 O ATOM 837 CB THR A 53 10.663 0.156 -29.877 1.00 24.53 C ATOM 838 OG1 THR A 53 9.986 1.388 -30.152 1.00 13.12 O ATOM 839 CG2 THR A 53 11.248 0.195 -28.474 1.00 64.44 C ATOM 0 H THR A 53 10.386 0.336 -32.444 1.00 24.20 H new ATOM 0 HA THR A 53 12.665 0.456 -30.624 1.00 34.52 H new ATOM 0 HB THR A 53 9.952 -0.668 -29.935 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.415 1.279 -30.941 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.450 0.366 -27.752 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.736 -0.755 -28.257 1.00 64.44 H new ATOM 0 HG23 THR A 53 11.978 1.002 -28.406 1.00 64.44 H new ATOM 847 N VAL A 54 11.488 -2.256 -31.966 1.00 5.34 N ATOM 848 CA VAL A 54 11.701 -3.688 -32.137 1.00 43.11 C ATOM 849 C VAL A 54 11.728 -4.067 -33.614 1.00 50.42 C ATOM 850 O VAL A 54 10.877 -3.654 -34.402 1.00 41.32 O ATOM 851 CB VAL A 54 10.607 -4.507 -31.428 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.857 -5.998 -31.604 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.539 -4.141 -29.953 1.00 51.22 C ATOM 0 H VAL A 54 10.861 -1.838 -32.653 1.00 5.34 H new ATOM 0 HA VAL A 54 12.666 -3.920 -31.687 1.00 43.11 H new ATOM 0 HB VAL A 54 9.646 -4.267 -31.883 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.074 -6.561 -31.096 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.851 -6.245 -32.666 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.825 -6.257 -31.176 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.760 -4.729 -29.468 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.499 -4.350 -29.482 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.309 -3.080 -29.852 1.00 51.22 H new ATOM 863 N PRO A 55 12.729 -4.873 -33.999 1.00 2.25 N ATOM 864 CA PRO A 55 12.891 -5.326 -35.384 1.00 2.03 C ATOM 865 C PRO A 55 11.805 -6.313 -35.801 1.00 74.41 C ATOM 866 O PRO A 55 11.343 -7.120 -34.994 1.00 51.24 O ATOM 867 CB PRO A 55 14.260 -6.011 -35.375 1.00 33.24 C ATOM 868 CG PRO A 55 14.460 -6.441 -33.962 1.00 34.23 C ATOM 869 CD PRO A 55 13.779 -5.403 -33.113 1.00 62.25 C ATOM 0 HA PRO A 55 12.816 -4.502 -36.094 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.281 -6.863 -36.055 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.046 -5.328 -35.696 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.031 -7.428 -33.790 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.521 -6.508 -33.721 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.358 -5.838 -32.207 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.472 -4.622 -32.800 1.00 62.25 H new ATOM 877 N TRP A 56 11.403 -6.242 -37.065 1.00 2.13 N ATOM 878 CA TRP A 56 10.371 -7.130 -37.589 1.00 72.32 C ATOM 879 C TRP A 56 10.708 -8.588 -37.298 1.00 33.30 C ATOM 880 O TRP A 56 9.842 -9.368 -36.905 1.00 54.31 O ATOM 881 CB TRP A 56 10.207 -6.922 -39.095 1.00 43.12 C ATOM 882 CG TRP A 56 11.494 -7.035 -39.854 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.385 -6.031 -40.111 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.033 -8.216 -40.456 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.445 -6.520 -40.837 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.253 -7.857 -41.060 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.604 -9.544 -40.541 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.046 -8.777 -41.740 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.393 -10.457 -41.216 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.602 -10.070 -41.807 1.00 14.15 C ATOM 0 H TRP A 56 11.775 -5.580 -37.745 1.00 2.13 H new ATOM 0 HA TRP A 56 9.432 -6.888 -37.092 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.500 -7.657 -39.481 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.773 -5.938 -39.273 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.273 -5.006 -39.791 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.245 -5.975 -41.158 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.673 -9.851 -40.088 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.978 -8.481 -42.198 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.072 -11.485 -41.289 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.196 -10.807 -42.326 1.00 14.15 H new ATOM 901 N GLU A 57 11.973 -8.949 -37.496 1.00 24.51 N ATOM 902 CA GLU A 57 12.423 -10.314 -37.256 1.00 64.15 C ATOM 903 C GLU A 57 12.019 -10.783 -35.861 1.00 74.11 C ATOM 904 O GLU A 57 11.753 -11.966 -35.646 1.00 43.02 O ATOM 905 CB GLU A 57 13.941 -10.411 -37.417 1.00 44.32 C ATOM 906 CG GLU A 57 14.704 -9.347 -36.646 1.00 74.32 C ATOM 907 CD GLU A 57 16.149 -9.732 -36.393 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.683 -10.564 -37.156 1.00 35.22 O ATOM 909 OE2 GLU A 57 16.745 -9.203 -35.431 1.00 73.32 O ATOM 0 H GLU A 57 12.703 -8.315 -37.822 1.00 24.51 H new ATOM 0 HA GLU A 57 11.945 -10.961 -37.992 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.271 -11.395 -37.085 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.192 -10.331 -38.475 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.674 -8.410 -37.201 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.207 -9.169 -35.692 1.00 74.32 H new ATOM 916 N GLN A 58 11.973 -9.848 -34.919 1.00 73.33 N ATOM 917 CA GLN A 58 11.603 -10.165 -33.545 1.00 13.45 C ATOM 918 C GLN A 58 10.307 -9.461 -33.155 1.00 24.32 C ATOM 919 O GLN A 58 10.063 -9.195 -31.977 1.00 52.14 O ATOM 920 CB GLN A 58 12.724 -9.764 -32.585 1.00 52.31 C ATOM 921 CG GLN A 58 14.012 -10.542 -32.796 1.00 2.22 C ATOM 922 CD GLN A 58 14.896 -10.554 -31.563 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.414 -10.722 -30.443 1.00 12.51 O ATOM 924 NE2 GLN A 58 16.196 -10.374 -31.764 1.00 11.14 N ATOM 0 H GLN A 58 12.187 -8.864 -35.082 1.00 73.33 H new ATOM 0 HA GLN A 58 11.446 -11.242 -33.477 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.929 -8.700 -32.703 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.384 -9.912 -31.560 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.771 -11.568 -33.075 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.563 -10.106 -33.629 1.00 2.22 H new ATOM 0 HE21 GLN A 58 16.552 -10.238 -32.710 1.00 11.14 H new ATOM 0 HE22 GLN A 58 16.839 -10.371 -30.972 1.00 11.14 H new ATOM 933 N LEU A 59 9.479 -9.162 -34.149 1.00 41.15 N ATOM 934 CA LEU A 59 8.207 -8.489 -33.910 1.00 23.12 C ATOM 935 C LEU A 59 7.066 -9.212 -34.620 1.00 51.11 C ATOM 936 O LEU A 59 5.962 -8.680 -34.744 1.00 4.12 O ATOM 937 CB LEU A 59 8.280 -7.037 -34.384 1.00 20.44 C ATOM 938 CG LEU A 59 7.198 -6.100 -33.845 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.248 -6.045 -32.326 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.356 -4.707 -34.437 1.00 61.44 C ATOM 0 H LEU A 59 9.665 -9.375 -35.129 1.00 41.15 H new ATOM 0 HA LEU A 59 8.011 -8.505 -32.838 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.254 -6.633 -34.106 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.231 -7.028 -35.473 1.00 20.44 H new ATOM 0 HG LEU A 59 6.225 -6.491 -34.142 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.471 -5.374 -31.960 1.00 5.54 H new ATOM 0 HD12 LEU A 59 7.085 -7.043 -31.920 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.224 -5.679 -32.007 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.578 -4.054 -34.043 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.335 -4.307 -34.171 1.00 61.44 H new ATOM 0 HD23 LEU A 59 7.269 -4.761 -35.522 1.00 61.44 H new ATOM 952 N LEU A 60 7.340 -10.427 -35.082 1.00 55.45 N ATOM 953 CA LEU A 60 6.336 -11.224 -35.778 1.00 62.31 C ATOM 954 C LEU A 60 6.581 -12.715 -35.566 1.00 44.10 C ATOM 955 O LEU A 60 7.723 -13.154 -35.442 1.00 61.30 O ATOM 956 CB LEU A 60 6.345 -10.901 -37.273 1.00 44.32 C ATOM 957 CG LEU A 60 7.422 -11.602 -38.103 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.803 -12.675 -38.984 1.00 41.24 C ATOM 959 CD2 LEU A 60 8.186 -10.591 -38.948 1.00 71.44 C ATOM 0 H LEU A 60 8.248 -10.881 -34.987 1.00 55.45 H new ATOM 0 HA LEU A 60 5.359 -10.973 -35.365 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.370 -11.159 -37.686 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.466 -9.824 -37.391 1.00 44.32 H new ATOM 0 HG LEU A 60 8.124 -12.081 -37.421 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.584 -13.163 -39.567 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.302 -13.414 -38.359 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.078 -12.219 -39.659 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.948 -11.107 -39.532 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.495 -10.083 -39.621 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.662 -9.858 -38.297 1.00 71.44 H new ATOM 971 N ASN A 61 5.500 -13.487 -35.528 1.00 14.22 N ATOM 972 CA ASN A 61 5.599 -14.930 -35.333 1.00 33.24 C ATOM 973 C ASN A 61 6.580 -15.547 -36.325 1.00 54.15 C ATOM 974 O ASN A 61 6.629 -15.154 -37.491 1.00 1.23 O ATOM 975 CB ASN A 61 4.224 -15.581 -35.486 1.00 52.35 C ATOM 976 CG ASN A 61 3.416 -14.971 -36.615 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.369 -14.365 -36.388 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.903 -15.128 -37.841 1.00 71.33 N ATOM 0 H ASN A 61 4.547 -13.139 -35.629 1.00 14.22 H new ATOM 0 HA ASN A 61 5.969 -15.111 -34.324 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.349 -16.648 -35.668 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.671 -15.480 -34.552 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.405 -14.738 -38.641 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.775 -15.638 -37.982 1.00 71.33 H new ATOM 985 N ARG A 62 7.357 -16.517 -35.856 1.00 14.43 N ATOM 986 CA ARG A 62 8.337 -17.189 -36.702 1.00 62.32 C ATOM 987 C ARG A 62 7.877 -18.603 -37.047 1.00 71.20 C ATOM 988 O ARG A 62 7.792 -18.970 -38.218 1.00 73.11 O ATOM 989 CB ARG A 62 9.696 -17.238 -36.003 1.00 1.22 C ATOM 990 CG ARG A 62 10.412 -15.897 -35.969 1.00 71.45 C ATOM 991 CD ARG A 62 10.163 -15.167 -34.658 1.00 72.42 C ATOM 992 NE ARG A 62 10.850 -15.803 -33.538 1.00 15.00 N ATOM 993 CZ ARG A 62 12.168 -15.772 -33.370 1.00 45.11 C ATOM 994 NH1 ARG A 62 12.935 -15.137 -34.246 1.00 32.15 N ATOM 995 NH2 ARG A 62 12.719 -16.375 -32.325 1.00 4.03 N ATOM 0 H ARG A 62 7.327 -16.856 -34.894 1.00 14.43 H new ATOM 0 HA ARG A 62 8.433 -16.621 -37.627 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.557 -17.592 -34.982 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.330 -17.966 -36.510 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.483 -16.051 -36.103 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.072 -15.280 -36.801 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.498 -14.134 -34.749 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.092 -15.138 -34.457 1.00 72.42 H new ATOM 0 HE ARG A 62 10.288 -16.298 -32.846 1.00 15.00 H new ATOM 0 HH11 ARG A 62 12.513 -14.672 -35.050 1.00 32.15 H new ATOM 0 HH12 ARG A 62 13.946 -15.114 -34.116 1.00 32.15 H new ATOM 0 HH21 ARG A 62 12.131 -16.863 -31.649 1.00 4.03 H new ATOM 0 HH22 ARG A 62 13.731 -16.351 -32.197 1.00 4.03 H new ATOM 1009 N ALA A 63 7.587 -19.392 -36.017 1.00 13.41 N ATOM 1010 CA ALA A 63 7.136 -20.765 -36.211 1.00 11.25 C ATOM 1011 C ALA A 63 5.632 -20.885 -35.989 1.00 40.23 C ATOM 1012 O ALA A 63 5.128 -21.957 -35.653 1.00 15.22 O ATOM 1013 CB ALA A 63 7.886 -21.703 -35.277 1.00 4.01 C ATOM 0 H ALA A 63 7.656 -19.104 -35.041 1.00 13.41 H new ATOM 0 HA ALA A 63 7.348 -21.049 -37.242 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.540 -22.725 -35.432 1.00 4.01 H new ATOM 0 HB2 ALA A 63 8.954 -21.646 -35.485 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.702 -21.411 -34.243 1.00 4.01 H new ATOM 1019 N GLY A 64 4.919 -19.779 -36.178 1.00 15.42 N ATOM 1020 CA GLY A 64 3.480 -19.782 -35.993 1.00 64.14 C ATOM 1021 C GLY A 64 2.741 -20.313 -37.206 1.00 10.02 C ATOM 1022 O GLY A 64 3.352 -20.856 -38.128 1.00 62.15 O ATOM 0 H GLY A 64 5.313 -18.880 -36.456 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.230 -20.390 -35.124 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.142 -18.768 -35.780 1.00 64.14 H new ATOM 1026 N THR A 65 1.420 -20.159 -37.207 1.00 32.42 N ATOM 1027 CA THR A 65 0.597 -20.629 -38.313 1.00 14.14 C ATOM 1028 C THR A 65 0.607 -19.635 -39.468 1.00 2.22 C ATOM 1029 O THR A 65 0.721 -20.020 -40.632 1.00 74.54 O ATOM 1030 CB THR A 65 -0.860 -20.867 -37.868 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.476 -19.620 -37.525 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.914 -21.810 -36.675 1.00 24.43 C ATOM 0 H THR A 65 0.898 -19.712 -36.453 1.00 32.42 H new ATOM 0 HA THR A 65 1.027 -21.573 -38.647 1.00 14.14 H new ATOM 0 HB THR A 65 -1.401 -21.324 -38.697 1.00 43.52 H new ATOM 0 HG1 THR A 65 -2.402 -19.778 -37.245 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.952 -21.963 -36.379 1.00 24.43 H new ATOM 0 HG22 THR A 65 -0.470 -22.767 -36.947 1.00 24.43 H new ATOM 0 HG23 THR A 65 -0.359 -21.376 -35.843 1.00 24.43 H new ATOM 1040 N THR A 66 0.489 -18.352 -39.139 1.00 75.01 N ATOM 1041 CA THR A 66 0.484 -17.302 -40.150 1.00 24.34 C ATOM 1042 C THR A 66 1.730 -17.376 -41.026 1.00 70.12 C ATOM 1043 O THR A 66 1.650 -17.251 -42.248 1.00 31.44 O ATOM 1044 CB THR A 66 0.405 -15.904 -39.507 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.296 -15.829 -38.388 1.00 11.42 O ATOM 1046 CG2 THR A 66 -1.014 -15.597 -39.053 1.00 2.54 C ATOM 0 H THR A 66 0.396 -18.015 -38.181 1.00 75.01 H new ATOM 0 HA THR A 66 -0.400 -17.461 -40.767 1.00 24.34 H new ATOM 0 HB THR A 66 0.698 -15.167 -40.255 1.00 53.23 H new ATOM 0 HG1 THR A 66 1.148 -14.988 -37.908 1.00 11.42 H new ATOM 0 HG21 THR A 66 -1.045 -14.605 -38.602 1.00 2.54 H new ATOM 0 HG22 THR A 66 -1.685 -15.627 -39.911 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.330 -16.339 -38.320 1.00 2.54 H new ATOM 1054 N PHE A 67 2.880 -17.581 -40.394 1.00 31.33 N ATOM 1055 CA PHE A 67 4.144 -17.672 -41.116 1.00 51.22 C ATOM 1056 C PHE A 67 4.241 -18.989 -41.879 1.00 2.20 C ATOM 1057 O PHE A 67 4.808 -19.047 -42.971 1.00 62.22 O ATOM 1058 CB PHE A 67 5.320 -17.544 -40.147 1.00 14.00 C ATOM 1059 CG PHE A 67 6.662 -17.627 -40.817 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.245 -18.858 -41.078 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.339 -16.477 -41.187 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.480 -18.937 -41.694 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.574 -16.551 -41.805 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.144 -17.783 -42.059 1.00 75.02 C ATOM 0 H PHE A 67 2.963 -17.687 -39.383 1.00 31.33 H new ATOM 0 HA PHE A 67 4.183 -16.853 -41.834 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.244 -16.593 -39.620 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.249 -18.331 -39.396 1.00 14.00 H new ATOM 0 HD1 PHE A 67 6.729 -19.764 -40.797 1.00 12.13 H new ATOM 0 HD2 PHE A 67 6.897 -15.511 -40.991 1.00 15.52 H new ATOM 0 HE1 PHE A 67 8.925 -19.901 -41.890 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.092 -15.647 -42.089 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.108 -17.844 -42.542 1.00 75.02 H new ATOM 1074 N ARG A 68 3.683 -20.046 -41.298 1.00 35.20 N ATOM 1075 CA ARG A 68 3.706 -21.363 -41.921 1.00 13.24 C ATOM 1076 C ARG A 68 2.759 -21.417 -43.116 1.00 42.44 C ATOM 1077 O ARG A 68 2.918 -22.245 -44.012 1.00 51.04 O ATOM 1078 CB ARG A 68 3.323 -22.440 -40.904 1.00 65.20 C ATOM 1079 CG ARG A 68 4.511 -23.019 -40.154 1.00 50.00 C ATOM 1080 CD ARG A 68 4.094 -23.595 -38.810 1.00 44.21 C ATOM 1081 NE ARG A 68 4.130 -25.055 -38.805 1.00 1.04 N ATOM 1082 CZ ARG A 68 5.252 -25.762 -38.876 1.00 43.45 C ATOM 1083 NH1 ARG A 68 6.424 -25.148 -38.958 1.00 73.52 N ATOM 1084 NH2 ARG A 68 5.204 -27.088 -38.865 1.00 33.20 N ATOM 0 H ARG A 68 3.209 -20.015 -40.395 1.00 35.20 H new ATOM 0 HA ARG A 68 4.720 -21.551 -42.274 1.00 13.24 H new ATOM 0 HB2 ARG A 68 2.622 -22.016 -40.185 1.00 65.20 H new ATOM 0 HB3 ARG A 68 2.802 -23.246 -41.420 1.00 65.20 H new ATOM 0 HG2 ARG A 68 4.978 -23.798 -40.756 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.260 -22.242 -40.002 1.00 50.00 H new ATOM 0 HD2 ARG A 68 4.755 -23.214 -38.031 1.00 44.21 H new ATOM 0 HD3 ARG A 68 3.087 -23.256 -38.567 1.00 44.21 H new ATOM 0 HE ARG A 68 3.245 -25.559 -38.744 1.00 1.04 H new ATOM 0 HH11 ARG A 68 6.466 -24.129 -38.967 1.00 73.52 H new ATOM 0 HH12 ARG A 68 7.283 -25.695 -39.012 1.00 73.52 H new ATOM 0 HH21 ARG A 68 4.305 -27.565 -38.802 1.00 33.20 H new ATOM 0 HH22 ARG A 68 6.066 -27.630 -38.920 1.00 33.20 H new ATOM 1098 N LYS A 69 1.770 -20.528 -43.121 1.00 73.43 N ATOM 1099 CA LYS A 69 0.796 -20.472 -44.204 1.00 73.42 C ATOM 1100 C LYS A 69 1.480 -20.176 -45.536 1.00 41.12 C ATOM 1101 O LYS A 69 1.172 -20.797 -46.555 1.00 52.53 O ATOM 1102 CB LYS A 69 -0.260 -19.404 -43.913 1.00 31.13 C ATOM 1103 CG LYS A 69 -1.303 -19.841 -42.899 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.502 -20.484 -43.574 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.468 -19.439 -44.108 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.769 -20.040 -44.515 1.00 71.33 N ATOM 0 H LYS A 69 1.623 -19.836 -42.386 1.00 73.43 H new ATOM 0 HA LYS A 69 0.310 -21.445 -44.273 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.236 -18.505 -43.547 1.00 31.13 H new ATOM 0 HB3 LYS A 69 -0.760 -19.136 -44.844 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.857 -20.547 -42.198 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.630 -18.979 -42.318 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.163 -21.119 -44.392 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -3.019 -21.129 -42.863 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -3.642 -18.681 -43.344 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -3.019 -18.933 -44.963 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -5.399 -19.294 -44.873 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -4.607 -20.745 -45.262 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -5.210 -20.501 -43.694 1.00 71.33 H new ATOM 1120 N LEU A 70 2.409 -19.227 -45.520 1.00 1.50 N ATOM 1121 CA LEU A 70 3.138 -18.850 -46.726 1.00 30.25 C ATOM 1122 C LEU A 70 4.098 -19.957 -47.151 1.00 52.51 C ATOM 1123 O LEU A 70 4.520 -20.788 -46.348 1.00 53.44 O ATOM 1124 CB LEU A 70 3.911 -17.551 -46.494 1.00 30.13 C ATOM 1125 CG LEU A 70 3.079 -16.268 -46.482 1.00 75.04 C ATOM 1126 CD1 LEU A 70 3.801 -15.171 -45.716 1.00 23.34 C ATOM 1127 CD2 LEU A 70 2.775 -15.817 -47.904 1.00 52.00 C ATOM 0 H LEU A 70 2.675 -18.704 -44.686 1.00 1.50 H new ATOM 0 HA LEU A 70 2.413 -18.696 -47.525 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.436 -17.629 -45.542 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.671 -17.460 -47.270 1.00 30.13 H new ATOM 0 HG LEU A 70 2.135 -16.474 -45.977 1.00 75.04 H new ATOM 0 HD11 LEU A 70 3.194 -14.266 -45.718 1.00 23.34 H new ATOM 0 HD12 LEU A 70 3.967 -15.494 -44.688 1.00 23.34 H new ATOM 0 HD13 LEU A 70 4.760 -14.966 -46.192 1.00 23.34 H new ATOM 0 HD21 LEU A 70 2.182 -14.903 -47.877 1.00 52.00 H new ATOM 0 HD22 LEU A 70 3.709 -15.628 -48.433 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.216 -16.597 -48.421 1.00 52.00 H new ATOM 1139 N PRO A 71 4.453 -19.968 -48.444 1.00 40.12 N ATOM 1140 CA PRO A 71 5.369 -20.966 -49.005 1.00 21.41 C ATOM 1141 C PRO A 71 6.800 -20.780 -48.513 1.00 4.43 C ATOM 1142 O PRO A 71 7.081 -19.880 -47.723 1.00 61.04 O ATOM 1143 CB PRO A 71 5.286 -20.716 -50.513 1.00 10.33 C ATOM 1144 CG PRO A 71 4.878 -19.289 -50.638 1.00 64.15 C ATOM 1145 CD PRO A 71 3.988 -19.008 -49.459 1.00 72.42 C ATOM 0 HA PRO A 71 5.097 -21.980 -48.711 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.245 -20.897 -50.998 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.560 -21.378 -50.985 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.748 -18.633 -50.635 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.350 -19.115 -51.576 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.090 -17.979 -49.115 1.00 72.42 H new ATOM 0 HD3 PRO A 71 2.937 -19.160 -49.704 1.00 72.42 H new ATOM 1153 N GLU A 72 7.699 -21.639 -48.983 1.00 64.42 N ATOM 1154 CA GLU A 72 9.101 -21.568 -48.588 1.00 2.33 C ATOM 1155 C GLU A 72 9.780 -20.352 -49.210 1.00 32.21 C ATOM 1156 O GLU A 72 10.635 -19.720 -48.589 1.00 64.11 O ATOM 1157 CB GLU A 72 9.836 -22.845 -49.005 1.00 3.30 C ATOM 1158 CG GLU A 72 9.651 -23.203 -50.470 1.00 14.02 C ATOM 1159 CD GLU A 72 10.529 -24.361 -50.903 1.00 23.34 C ATOM 1160 OE1 GLU A 72 10.106 -25.523 -50.732 1.00 4.25 O ATOM 1161 OE2 GLU A 72 11.640 -24.104 -51.413 1.00 2.14 O ATOM 0 H GLU A 72 7.482 -22.391 -49.637 1.00 64.42 H new ATOM 0 HA GLU A 72 9.142 -21.471 -47.503 1.00 2.33 H new ATOM 0 HB2 GLU A 72 10.900 -22.725 -48.801 1.00 3.30 H new ATOM 0 HB3 GLU A 72 9.485 -23.674 -48.390 1.00 3.30 H new ATOM 0 HG2 GLU A 72 8.606 -23.457 -50.649 1.00 14.02 H new ATOM 0 HG3 GLU A 72 9.877 -22.331 -51.084 1.00 14.02 H new ATOM 1168 N ASP A 73 9.395 -20.030 -50.440 1.00 54.44 N ATOM 1169 CA ASP A 73 9.965 -18.889 -51.146 1.00 22.54 C ATOM 1170 C ASP A 73 9.607 -17.582 -50.446 1.00 73.43 C ATOM 1171 O ASP A 73 10.476 -16.756 -50.166 1.00 20.35 O ATOM 1172 CB ASP A 73 9.472 -18.859 -52.594 1.00 11.40 C ATOM 1173 CG ASP A 73 9.640 -20.195 -53.290 1.00 35.22 C ATOM 1174 OD1 ASP A 73 10.783 -20.529 -53.667 1.00 60.34 O ATOM 1175 OD2 ASP A 73 8.629 -20.908 -53.457 1.00 64.21 O ATOM 0 H ASP A 73 8.690 -20.544 -50.969 1.00 54.44 H new ATOM 0 HA ASP A 73 11.050 -18.996 -51.142 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.420 -18.573 -52.611 1.00 11.40 H new ATOM 0 HB3 ASP A 73 10.019 -18.094 -53.145 1.00 11.40 H new ATOM 1180 N VAL A 74 8.319 -17.400 -50.168 1.00 22.21 N ATOM 1181 CA VAL A 74 7.845 -16.193 -49.501 1.00 51.24 C ATOM 1182 C VAL A 74 8.342 -16.128 -48.061 1.00 71.30 C ATOM 1183 O VAL A 74 8.763 -15.074 -47.586 1.00 64.14 O ATOM 1184 CB VAL A 74 6.307 -16.118 -49.505 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.830 -14.905 -48.719 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.779 -16.080 -50.931 1.00 20.32 C ATOM 0 H VAL A 74 7.586 -18.073 -50.394 1.00 22.21 H new ATOM 0 HA VAL A 74 8.245 -15.346 -50.058 1.00 51.24 H new ATOM 0 HB VAL A 74 5.916 -17.013 -49.021 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.741 -14.868 -48.733 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.178 -14.979 -47.689 1.00 2.42 H new ATOM 0 HG13 VAL A 74 6.229 -13.998 -49.172 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.690 -16.027 -50.915 1.00 20.32 H new ATOM 0 HG22 VAL A 74 6.177 -15.204 -51.443 1.00 20.32 H new ATOM 0 HG23 VAL A 74 6.091 -16.982 -51.458 1.00 20.32 H new ATOM 1196 N ARG A 75 8.293 -17.264 -47.373 1.00 32.22 N ATOM 1197 CA ARG A 75 8.738 -17.338 -45.986 1.00 2.22 C ATOM 1198 C ARG A 75 10.203 -16.927 -45.863 1.00 43.01 C ATOM 1199 O ARG A 75 10.657 -16.523 -44.793 1.00 52.32 O ATOM 1200 CB ARG A 75 8.546 -18.754 -45.441 1.00 70.20 C ATOM 1201 CG ARG A 75 7.134 -19.032 -44.952 1.00 33.21 C ATOM 1202 CD ARG A 75 6.906 -20.517 -44.724 1.00 64.25 C ATOM 1203 NE ARG A 75 7.898 -21.091 -43.819 1.00 60.01 N ATOM 1204 CZ ARG A 75 7.718 -22.227 -43.155 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.588 -22.908 -43.294 1.00 43.22 N ATOM 1206 NH2 ARG A 75 8.667 -22.685 -42.349 1.00 22.23 N ATOM 0 H ARG A 75 7.950 -18.146 -47.753 1.00 32.22 H new ATOM 0 HA ARG A 75 8.134 -16.646 -45.399 1.00 2.22 H new ATOM 0 HB2 ARG A 75 8.799 -19.472 -46.221 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.244 -18.916 -44.620 1.00 70.20 H new ATOM 0 HG2 ARG A 75 6.956 -18.489 -44.024 1.00 33.21 H new ATOM 0 HG3 ARG A 75 6.415 -18.660 -45.682 1.00 33.21 H new ATOM 0 HD2 ARG A 75 5.908 -20.672 -44.313 1.00 64.25 H new ATOM 0 HD3 ARG A 75 6.942 -21.040 -45.680 1.00 64.25 H new ATOM 0 HE ARG A 75 8.778 -20.592 -43.690 1.00 60.01 H new ATOM 0 HH11 ARG A 75 5.855 -22.559 -43.912 1.00 43.22 H new ATOM 0 HH12 ARG A 75 6.452 -23.780 -42.783 1.00 43.22 H new ATOM 0 HH21 ARG A 75 9.537 -22.164 -42.238 1.00 22.23 H new ATOM 0 HH22 ARG A 75 8.526 -23.558 -41.840 1.00 22.23 H new ATOM 1220 N SER A 76 10.937 -17.034 -46.967 1.00 13.42 N ATOM 1221 CA SER A 76 12.350 -16.679 -46.982 1.00 72.25 C ATOM 1222 C SER A 76 12.572 -15.361 -47.716 1.00 24.11 C ATOM 1223 O SER A 76 13.644 -14.764 -47.633 1.00 72.30 O ATOM 1224 CB SER A 76 13.170 -17.789 -47.644 1.00 52.34 C ATOM 1225 OG SER A 76 13.792 -18.612 -46.672 1.00 11.12 O ATOM 0 H SER A 76 10.575 -17.364 -47.862 1.00 13.42 H new ATOM 0 HA SER A 76 12.680 -16.560 -45.950 1.00 72.25 H new ATOM 0 HB2 SER A 76 12.523 -18.395 -48.278 1.00 52.34 H new ATOM 0 HB3 SER A 76 13.928 -17.349 -48.291 1.00 52.34 H new ATOM 0 HG SER A 76 14.308 -19.314 -47.120 1.00 11.12 H new ATOM 1231 N ASN A 77 11.548 -14.912 -48.435 1.00 61.11 N ATOM 1232 CA ASN A 77 11.630 -13.664 -49.185 1.00 63.22 C ATOM 1233 C ASN A 77 11.105 -12.495 -48.356 1.00 4.51 C ATOM 1234 O ASN A 77 10.380 -11.638 -48.861 1.00 30.21 O ATOM 1235 CB ASN A 77 10.836 -13.776 -50.488 1.00 34.15 C ATOM 1236 CG ASN A 77 11.569 -14.580 -51.545 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.797 -14.657 -51.541 1.00 62.33 O ATOM 1238 ND2 ASN A 77 10.815 -15.183 -52.458 1.00 63.33 N ATOM 0 H ASN A 77 10.652 -15.394 -48.514 1.00 61.11 H new ATOM 0 HA ASN A 77 12.678 -13.478 -49.420 1.00 63.22 H new ATOM 0 HB2 ASN A 77 9.872 -14.243 -50.284 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.631 -12.777 -50.873 1.00 34.15 H new ATOM 0 HD21 ASN A 77 11.251 -15.737 -53.195 1.00 63.33 H new ATOM 0 HD22 ASN A 77 9.800 -15.091 -52.422 1.00 63.33 H new ATOM 1245 N VAL A 78 11.480 -12.467 -47.082 1.00 54.35 N ATOM 1246 CA VAL A 78 11.050 -11.403 -46.182 1.00 25.14 C ATOM 1247 C VAL A 78 12.080 -10.280 -46.127 1.00 53.34 C ATOM 1248 O VAL A 78 13.279 -10.530 -46.011 1.00 13.31 O ATOM 1249 CB VAL A 78 10.810 -11.936 -44.757 1.00 24.53 C ATOM 1250 CG1 VAL A 78 10.397 -10.806 -43.827 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.762 -13.037 -44.769 1.00 61.01 C ATOM 0 H VAL A 78 12.081 -13.169 -46.649 1.00 54.35 H new ATOM 0 HA VAL A 78 10.113 -11.013 -46.578 1.00 25.14 H new ATOM 0 HB VAL A 78 11.743 -12.359 -44.384 1.00 24.53 H new ATOM 0 HG11 VAL A 78 10.232 -11.202 -42.825 1.00 61.22 H new ATOM 0 HG12 VAL A 78 11.186 -10.054 -43.795 1.00 61.22 H new ATOM 0 HG13 VAL A 78 9.477 -10.351 -44.194 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.606 -13.401 -43.754 1.00 61.01 H new ATOM 0 HG22 VAL A 78 8.825 -12.643 -45.162 1.00 61.01 H new ATOM 0 HG23 VAL A 78 10.103 -13.857 -45.400 1.00 61.01 H new ATOM 1261 N ASP A 79 11.603 -9.043 -46.210 1.00 75.02 N ATOM 1262 CA ASP A 79 12.482 -7.881 -46.168 1.00 32.13 C ATOM 1263 C ASP A 79 11.933 -6.818 -45.221 1.00 22.35 C ATOM 1264 O ASP A 79 10.843 -6.968 -44.669 1.00 11.20 O ATOM 1265 CB ASP A 79 12.653 -7.293 -47.569 1.00 14.11 C ATOM 1266 CG ASP A 79 12.732 -8.363 -48.640 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.548 -9.297 -48.488 1.00 12.03 O ATOM 1268 OD2 ASP A 79 11.977 -8.268 -49.631 1.00 63.45 O ATOM 0 H ASP A 79 10.613 -8.819 -46.307 1.00 75.02 H new ATOM 0 HA ASP A 79 13.454 -8.206 -45.797 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.817 -6.628 -47.785 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.558 -6.687 -47.598 1.00 14.11 H new ATOM 1273 N ALA A 80 12.696 -5.746 -45.037 1.00 44.44 N ATOM 1274 CA ALA A 80 12.285 -4.658 -44.157 1.00 1.03 C ATOM 1275 C ALA A 80 10.975 -4.038 -44.627 1.00 60.14 C ATOM 1276 O ALA A 80 9.977 -4.052 -43.906 1.00 3.35 O ATOM 1277 CB ALA A 80 13.376 -3.599 -44.083 1.00 43.13 C ATOM 0 H ALA A 80 13.602 -5.607 -45.485 1.00 44.44 H new ATOM 0 HA ALA A 80 12.125 -5.070 -43.161 1.00 1.03 H new ATOM 0 HB1 ALA A 80 13.056 -2.793 -43.423 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.291 -4.046 -43.693 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.563 -3.199 -45.080 1.00 43.13 H new ATOM 1283 N ALA A 81 10.984 -3.494 -45.839 1.00 21.32 N ATOM 1284 CA ALA A 81 9.795 -2.870 -46.405 1.00 55.31 C ATOM 1285 C ALA A 81 8.591 -3.802 -46.320 1.00 31.04 C ATOM 1286 O ALA A 81 7.566 -3.457 -45.731 1.00 33.41 O ATOM 1287 CB ALA A 81 10.048 -2.463 -47.850 1.00 13.35 C ATOM 0 H ALA A 81 11.802 -3.473 -46.448 1.00 21.32 H new ATOM 0 HA ALA A 81 9.572 -1.977 -45.821 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.151 -1.998 -48.259 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.874 -1.753 -47.889 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.300 -3.346 -48.438 1.00 13.35 H new ATOM 1293 N SER A 82 8.722 -4.985 -46.911 1.00 54.12 N ATOM 1294 CA SER A 82 7.643 -5.967 -46.906 1.00 14.13 C ATOM 1295 C SER A 82 7.171 -6.246 -45.483 1.00 30.51 C ATOM 1296 O SER A 82 5.973 -6.234 -45.201 1.00 1.33 O ATOM 1297 CB SER A 82 8.105 -7.267 -47.566 1.00 73.02 C ATOM 1298 OG SER A 82 7.468 -8.390 -46.982 1.00 11.21 O ATOM 0 H SER A 82 9.565 -5.287 -47.400 1.00 54.12 H new ATOM 0 HA SER A 82 6.808 -5.557 -47.474 1.00 14.13 H new ATOM 0 HB2 SER A 82 7.885 -7.235 -48.633 1.00 73.02 H new ATOM 0 HB3 SER A 82 9.186 -7.365 -47.466 1.00 73.02 H new ATOM 0 HG SER A 82 7.779 -9.208 -47.422 1.00 11.21 H new ATOM 1304 N ALA A 83 8.121 -6.496 -44.588 1.00 34.11 N ATOM 1305 CA ALA A 83 7.803 -6.776 -43.193 1.00 62.10 C ATOM 1306 C ALA A 83 6.882 -5.708 -42.615 1.00 53.55 C ATOM 1307 O ALA A 83 5.859 -6.020 -42.005 1.00 1.10 O ATOM 1308 CB ALA A 83 9.079 -6.877 -42.371 1.00 14.31 C ATOM 0 H ALA A 83 9.118 -6.510 -44.804 1.00 34.11 H new ATOM 0 HA ALA A 83 7.280 -7.731 -43.150 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.827 -7.086 -41.331 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.701 -7.682 -42.762 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.625 -5.935 -42.429 1.00 14.31 H new ATOM 1314 N ARG A 84 7.251 -4.446 -42.809 1.00 14.24 N ATOM 1315 CA ARG A 84 6.458 -3.331 -42.305 1.00 42.23 C ATOM 1316 C ARG A 84 5.086 -3.295 -42.971 1.00 55.53 C ATOM 1317 O ARG A 84 4.084 -2.975 -42.332 1.00 43.13 O ATOM 1318 CB ARG A 84 7.189 -2.008 -42.545 1.00 72.41 C ATOM 1319 CG ARG A 84 8.477 -1.871 -41.749 1.00 43.35 C ATOM 1320 CD ARG A 84 9.125 -0.514 -41.971 1.00 30.14 C ATOM 1321 NE ARG A 84 9.890 -0.470 -43.215 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.243 0.658 -43.821 1.00 23.24 C ATOM 1323 NH1 ARG A 84 9.902 1.829 -43.301 1.00 30.24 N ATOM 1324 NH2 ARG A 84 10.938 0.616 -44.951 1.00 14.35 N ATOM 0 H ARG A 84 8.094 -4.170 -43.312 1.00 14.24 H new ATOM 0 HA ARG A 84 6.319 -3.472 -41.233 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.417 -1.916 -43.607 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.524 -1.183 -42.289 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.267 -2.006 -40.688 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.171 -2.659 -42.039 1.00 43.35 H new ATOM 0 HD2 ARG A 84 8.354 0.257 -41.992 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.783 -0.285 -41.133 1.00 30.14 H new ATOM 0 HE ARG A 84 10.168 -1.354 -43.641 1.00 24.42 H new ATOM 0 HH11 ARG A 84 9.367 1.865 -42.433 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.175 2.694 -43.769 1.00 30.24 H new ATOM 0 HH21 ARG A 84 11.201 -0.283 -45.355 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.209 1.483 -45.416 1.00 14.35 H new ATOM 1338 N GLU A 85 5.050 -3.625 -44.259 1.00 51.11 N ATOM 1339 CA GLU A 85 3.801 -3.628 -45.010 1.00 55.12 C ATOM 1340 C GLU A 85 2.864 -4.722 -44.505 1.00 1.33 C ATOM 1341 O GLU A 85 1.657 -4.512 -44.377 1.00 32.23 O ATOM 1342 CB GLU A 85 4.077 -3.827 -46.502 1.00 75.34 C ATOM 1343 CG GLU A 85 4.859 -2.688 -47.134 1.00 45.21 C ATOM 1344 CD GLU A 85 4.128 -2.057 -48.303 1.00 21.03 C ATOM 1345 OE1 GLU A 85 4.063 -2.693 -49.375 1.00 3.32 O ATOM 1346 OE2 GLU A 85 3.622 -0.926 -48.146 1.00 42.31 O ATOM 0 H GLU A 85 5.870 -3.893 -44.802 1.00 51.11 H new ATOM 0 HA GLU A 85 3.317 -2.663 -44.863 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.630 -4.756 -46.640 1.00 75.34 H new ATOM 0 HB3 GLU A 85 3.128 -3.940 -47.026 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.057 -1.926 -46.380 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.826 -3.060 -47.473 1.00 45.21 H new ATOM 1353 N LEU A 86 3.429 -5.890 -44.220 1.00 22.40 N ATOM 1354 CA LEU A 86 2.646 -7.019 -43.729 1.00 21.33 C ATOM 1355 C LEU A 86 2.075 -6.725 -42.346 1.00 20.32 C ATOM 1356 O LEU A 86 0.883 -6.918 -42.101 1.00 2.34 O ATOM 1357 CB LEU A 86 3.509 -8.281 -43.679 1.00 74.11 C ATOM 1358 CG LEU A 86 3.954 -8.844 -45.029 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.162 -9.751 -44.857 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.811 -9.594 -45.697 1.00 0.22 C ATOM 0 H LEU A 86 4.426 -6.080 -44.320 1.00 22.40 H new ATOM 0 HA LEU A 86 1.817 -7.181 -44.418 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.398 -8.065 -43.087 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.954 -9.056 -43.150 1.00 74.11 H new ATOM 0 HG LEU A 86 4.240 -8.012 -45.672 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.464 -10.142 -45.828 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.985 -9.183 -44.423 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.904 -10.579 -44.197 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.146 -9.988 -46.657 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.493 -10.418 -45.058 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.974 -8.915 -45.856 1.00 0.22 H new ATOM 1372 N MET A 87 2.931 -6.254 -41.445 1.00 55.22 N ATOM 1373 CA MET A 87 2.511 -5.930 -40.087 1.00 3.41 C ATOM 1374 C MET A 87 1.536 -4.757 -40.085 1.00 3.31 C ATOM 1375 O MET A 87 0.638 -4.684 -39.245 1.00 33.02 O ATOM 1376 CB MET A 87 3.726 -5.599 -39.219 1.00 13.51 C ATOM 1377 CG MET A 87 4.720 -6.743 -39.104 1.00 72.40 C ATOM 1378 SD MET A 87 4.010 -8.205 -38.322 1.00 23.01 S ATOM 1379 CE MET A 87 3.373 -9.078 -39.750 1.00 34.44 C ATOM 0 H MET A 87 3.920 -6.088 -41.631 1.00 55.22 H new ATOM 0 HA MET A 87 2.005 -6.802 -39.673 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.233 -4.728 -39.635 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.385 -5.323 -38.221 1.00 13.51 H new ATOM 0 HG2 MET A 87 5.081 -7.007 -40.098 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.584 -6.412 -38.529 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.652 -10.130 -39.688 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.287 -8.992 -39.775 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.792 -8.645 -40.658 1.00 34.44 H new ATOM 1389 N LEU A 88 1.718 -3.841 -41.030 1.00 0.04 N ATOM 1390 CA LEU A 88 0.854 -2.671 -41.138 1.00 32.32 C ATOM 1391 C LEU A 88 -0.562 -3.073 -41.538 1.00 31.41 C ATOM 1392 O LEU A 88 -1.528 -2.746 -40.850 1.00 51.04 O ATOM 1393 CB LEU A 88 1.423 -1.684 -42.159 1.00 71.42 C ATOM 1394 CG LEU A 88 0.663 -0.367 -42.316 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.486 0.792 -41.773 1.00 0.02 C ATOM 1396 CD2 LEU A 88 0.303 -0.129 -43.775 1.00 33.15 C ATOM 0 H LEU A 88 2.456 -3.886 -41.732 1.00 0.04 H new ATOM 0 HA LEU A 88 0.813 -2.190 -40.161 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.451 -1.456 -41.879 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.459 -2.177 -43.130 1.00 71.42 H new ATOM 0 HG LEU A 88 -0.260 -0.432 -41.741 1.00 15.31 H new ATOM 0 HD11 LEU A 88 0.929 1.721 -41.893 1.00 0.02 H new ATOM 0 HD12 LEU A 88 1.693 0.627 -40.716 1.00 0.02 H new ATOM 0 HD13 LEU A 88 2.426 0.859 -42.321 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.238 0.813 -43.867 1.00 33.15 H new ATOM 0 HD22 LEU A 88 1.214 -0.085 -44.372 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -0.326 -0.945 -44.132 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.676 -3.787 -42.653 1.00 5.24 N ATOM 1409 CA ALA A 89 -1.973 -4.238 -43.142 1.00 72.31 C ATOM 1410 C ALA A 89 -2.574 -5.289 -42.215 1.00 53.31 C ATOM 1411 O ALA A 89 -3.740 -5.198 -41.834 1.00 61.11 O ATOM 1412 CB ALA A 89 -1.842 -4.790 -44.554 1.00 53.34 C ATOM 0 H ALA A 89 0.114 -4.066 -43.235 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.645 -3.380 -43.160 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.818 -5.123 -44.906 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.464 -4.011 -45.216 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.150 -5.632 -44.553 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.769 -6.284 -41.857 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.224 -7.354 -40.975 1.00 12.45 C ATOM 1420 C GLN A 90 -1.290 -7.507 -39.779 1.00 41.24 C ATOM 1421 O GLN A 90 -0.425 -8.382 -39.744 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.310 -8.674 -41.743 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.103 -8.945 -42.625 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.267 -10.190 -43.473 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -0.966 -10.186 -44.668 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -1.749 -11.265 -42.860 1.00 33.14 N ATOM 0 H GLN A 90 -0.800 -6.372 -42.163 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.216 -7.091 -40.607 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.420 -9.492 -41.031 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.207 -8.667 -42.362 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -0.933 -8.087 -43.275 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.217 -9.051 -41.999 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -1.985 -11.224 -41.869 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.883 -12.132 -43.381 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.466 -6.635 -38.775 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.648 -6.654 -37.558 1.00 32.24 C ATOM 1437 C PRO A 91 -0.936 -7.870 -36.684 1.00 54.10 C ATOM 1438 O PRO A 91 -0.244 -8.114 -35.696 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.058 -5.368 -36.836 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.434 -5.080 -37.326 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.478 -5.565 -38.749 1.00 34.13 C ATOM 0 HA PRO A 91 0.417 -6.712 -37.784 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.043 -5.500 -35.754 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.376 -4.550 -37.067 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.180 -5.590 -36.717 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.653 -4.014 -37.270 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.466 -5.940 -39.016 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.239 -4.768 -39.453 1.00 34.13 H new ATOM 1449 N SER A 92 -1.961 -8.630 -37.055 1.00 20.51 N ATOM 1450 CA SER A 92 -2.344 -9.820 -36.303 1.00 11.34 C ATOM 1451 C SER A 92 -1.182 -10.806 -36.220 1.00 43.02 C ATOM 1452 O SER A 92 -1.138 -11.656 -35.332 1.00 60.53 O ATOM 1453 CB SER A 92 -3.554 -10.493 -36.953 1.00 1.20 C ATOM 1454 OG SER A 92 -4.429 -9.532 -37.519 1.00 33.02 O ATOM 0 H SER A 92 -2.542 -8.443 -37.872 1.00 20.51 H new ATOM 0 HA SER A 92 -2.610 -9.512 -35.292 1.00 11.34 H new ATOM 0 HB2 SER A 92 -3.218 -11.184 -37.726 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.089 -11.083 -36.209 1.00 1.20 H new ATOM 0 HG SER A 92 -5.193 -9.987 -37.930 1.00 33.02 H new ATOM 1460 N MET A 93 -0.244 -10.684 -37.153 1.00 64.00 N ATOM 1461 CA MET A 93 0.919 -11.563 -37.186 1.00 11.03 C ATOM 1462 C MET A 93 1.975 -11.106 -36.184 1.00 22.03 C ATOM 1463 O MET A 93 2.851 -11.878 -35.794 1.00 62.52 O ATOM 1464 CB MET A 93 1.517 -11.601 -38.593 1.00 21.24 C ATOM 1465 CG MET A 93 0.944 -12.704 -39.468 1.00 71.33 C ATOM 1466 SD MET A 93 0.874 -12.243 -41.209 1.00 63.23 S ATOM 1467 CE MET A 93 2.483 -12.796 -41.772 1.00 50.03 C ATOM 0 H MET A 93 -0.266 -9.985 -37.896 1.00 64.00 H new ATOM 0 HA MET A 93 0.593 -12.566 -36.911 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.347 -10.639 -39.077 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.596 -11.733 -38.517 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.552 -13.602 -39.358 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.059 -12.953 -39.122 1.00 71.33 H new ATOM 0 HE1 MET A 93 2.591 -12.579 -42.835 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.262 -12.276 -41.215 1.00 50.03 H new ATOM 0 HE3 MET A 93 2.576 -13.870 -41.609 1.00 50.03 H new ATOM 1477 N VAL A 94 1.886 -9.846 -35.771 1.00 52.44 N ATOM 1478 CA VAL A 94 2.833 -9.286 -34.814 1.00 10.35 C ATOM 1479 C VAL A 94 2.948 -10.168 -33.575 1.00 43.41 C ATOM 1480 O VAL A 94 1.958 -10.727 -33.103 1.00 40.44 O ATOM 1481 CB VAL A 94 2.423 -7.865 -34.384 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.366 -7.339 -33.313 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.393 -6.933 -35.586 1.00 35.21 C ATOM 0 H VAL A 94 1.167 -9.193 -36.084 1.00 52.44 H new ATOM 0 HA VAL A 94 3.800 -9.240 -35.315 1.00 10.35 H new ATOM 0 HB VAL A 94 1.419 -7.907 -33.961 1.00 33.42 H new ATOM 0 HG11 VAL A 94 3.061 -6.334 -33.021 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.331 -7.995 -32.443 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.382 -7.310 -33.705 1.00 75.05 H new ATOM 0 HG21 VAL A 94 2.101 -5.933 -35.264 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.383 -6.894 -36.041 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.673 -7.304 -36.316 1.00 35.21 H new ATOM 1493 N LYS A 95 4.163 -10.287 -33.051 1.00 21.24 N ATOM 1494 CA LYS A 95 4.409 -11.099 -31.865 1.00 1.24 C ATOM 1495 C LYS A 95 3.453 -10.720 -30.739 1.00 13.35 C ATOM 1496 O LYS A 95 2.890 -9.625 -30.732 1.00 52.22 O ATOM 1497 CB LYS A 95 5.857 -10.930 -31.398 1.00 62.41 C ATOM 1498 CG LYS A 95 6.399 -12.136 -30.652 1.00 12.43 C ATOM 1499 CD LYS A 95 6.487 -13.357 -31.554 1.00 23.31 C ATOM 1500 CE LYS A 95 7.495 -14.367 -31.029 1.00 33.13 C ATOM 1501 NZ LYS A 95 7.306 -15.710 -31.645 1.00 64.41 N ATOM 0 H LYS A 95 4.993 -9.831 -33.429 1.00 21.24 H new ATOM 0 HA LYS A 95 4.238 -12.143 -32.127 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.489 -10.735 -32.264 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.922 -10.054 -30.752 1.00 62.41 H new ATOM 0 HG2 LYS A 95 7.387 -11.905 -30.254 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.756 -12.357 -29.800 1.00 12.43 H new ATOM 0 HD2 LYS A 95 5.506 -13.826 -31.629 1.00 23.31 H new ATOM 0 HD3 LYS A 95 6.771 -13.048 -32.560 1.00 23.31 H new ATOM 0 HE2 LYS A 95 8.505 -14.012 -31.234 1.00 33.13 H new ATOM 0 HE3 LYS A 95 7.399 -14.447 -29.946 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 8.012 -16.370 -31.261 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 6.351 -16.060 -31.428 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 7.423 -15.639 -32.676 1.00 64.41 H new ATOM 1515 N ARG A 96 3.275 -11.631 -29.789 1.00 23.43 N ATOM 1516 CA ARG A 96 2.387 -11.392 -28.657 1.00 52.42 C ATOM 1517 C ARG A 96 2.471 -12.534 -27.649 1.00 73.24 C ATOM 1518 O ARG A 96 2.898 -13.645 -27.966 1.00 25.00 O ATOM 1519 CB ARG A 96 0.945 -11.229 -29.139 1.00 2.41 C ATOM 1520 CG ARG A 96 0.609 -12.076 -30.356 1.00 32.35 C ATOM 1521 CD ARG A 96 0.860 -13.553 -30.093 1.00 1.31 C ATOM 1522 NE ARG A 96 0.071 -14.408 -30.976 1.00 4.33 N ATOM 1523 CZ ARG A 96 0.308 -15.703 -31.149 1.00 22.53 C ATOM 1524 NH1 ARG A 96 1.306 -16.290 -30.502 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -0.453 -16.414 -31.971 1.00 31.42 N ATOM 0 H ARG A 96 3.734 -12.542 -29.780 1.00 23.43 H new ATOM 0 HA ARG A 96 2.705 -10.473 -28.166 1.00 52.42 H new ATOM 0 HB2 ARG A 96 0.268 -11.491 -28.326 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.767 -10.180 -29.377 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.436 -11.926 -30.628 1.00 32.35 H new ATOM 0 HG3 ARG A 96 1.209 -11.749 -31.205 1.00 32.35 H new ATOM 0 HD2 ARG A 96 1.919 -13.771 -30.229 1.00 1.31 H new ATOM 0 HD3 ARG A 96 0.618 -13.783 -29.055 1.00 1.31 H new ATOM 0 HE ARG A 96 -0.705 -13.987 -31.488 1.00 4.33 H new ATOM 0 HH11 ARG A 96 1.894 -15.746 -29.870 1.00 21.10 H new ATOM 0 HH12 ARG A 96 1.486 -17.285 -30.637 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.221 -15.966 -32.471 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -0.270 -17.409 -32.103 1.00 31.42 H new ATOM 1539 N PRO A 97 2.055 -12.257 -26.404 1.00 5.45 N ATOM 1540 CA PRO A 97 1.545 -10.939 -26.015 1.00 55.21 C ATOM 1541 C PRO A 97 2.640 -9.878 -25.991 1.00 1.12 C ATOM 1542 O PRO A 97 3.814 -10.188 -25.784 1.00 11.34 O ATOM 1543 CB PRO A 97 0.996 -11.173 -24.605 1.00 63.23 C ATOM 1544 CG PRO A 97 1.765 -12.339 -24.088 1.00 53.40 C ATOM 1545 CD PRO A 97 2.051 -13.210 -25.281 1.00 14.11 C ATOM 0 HA PRO A 97 0.802 -10.565 -26.720 1.00 55.21 H new ATOM 0 HB2 PRO A 97 1.137 -10.295 -23.975 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.074 -11.382 -24.626 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.690 -12.015 -23.611 1.00 53.40 H new ATOM 0 HG3 PRO A 97 1.192 -12.882 -23.337 1.00 53.40 H new ATOM 0 HD2 PRO A 97 3.008 -13.722 -25.185 1.00 14.11 H new ATOM 0 HD3 PRO A 97 1.289 -13.979 -25.409 1.00 14.11 H new ATOM 1553 N VAL A 98 2.249 -8.626 -26.202 1.00 75.11 N ATOM 1554 CA VAL A 98 3.198 -7.518 -26.203 1.00 22.51 C ATOM 1555 C VAL A 98 2.941 -6.573 -25.035 1.00 20.24 C ATOM 1556 O VAL A 98 1.851 -6.014 -24.902 1.00 74.34 O ATOM 1557 CB VAL A 98 3.129 -6.721 -27.518 1.00 62.21 C ATOM 1558 CG1 VAL A 98 4.086 -5.539 -27.478 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.434 -7.624 -28.704 1.00 73.13 C ATOM 0 H VAL A 98 1.282 -8.353 -26.375 1.00 75.11 H new ATOM 0 HA VAL A 98 4.192 -7.953 -26.102 1.00 22.51 H new ATOM 0 HB VAL A 98 2.117 -6.334 -27.635 1.00 62.21 H new ATOM 0 HG11 VAL A 98 4.023 -4.988 -28.416 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.817 -4.881 -26.652 1.00 65.22 H new ATOM 0 HG13 VAL A 98 5.105 -5.900 -27.337 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.381 -7.044 -29.626 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.435 -8.042 -28.595 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.705 -8.433 -28.742 1.00 73.13 H new ATOM 1569 N LEU A 99 3.950 -6.398 -24.189 1.00 44.10 N ATOM 1570 CA LEU A 99 3.833 -5.518 -23.031 1.00 22.24 C ATOM 1571 C LEU A 99 4.763 -4.317 -23.163 1.00 30.44 C ATOM 1572 O LEU A 99 5.972 -4.472 -23.329 1.00 63.23 O ATOM 1573 CB LEU A 99 4.154 -6.288 -21.747 1.00 31.22 C ATOM 1574 CG LEU A 99 3.225 -6.031 -20.561 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.721 -6.765 -19.326 1.00 64.20 C ATOM 1576 CD2 LEU A 99 3.110 -4.538 -20.287 1.00 2.44 C ATOM 0 H LEU A 99 4.858 -6.853 -24.283 1.00 44.10 H new ATOM 0 HA LEU A 99 2.806 -5.155 -22.983 1.00 22.24 H new ATOM 0 HB2 LEU A 99 4.136 -7.354 -21.972 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.172 -6.043 -21.445 1.00 31.22 H new ATOM 0 HG LEU A 99 2.234 -6.411 -20.811 1.00 2.12 H new ATOM 0 HD11 LEU A 99 3.047 -6.570 -18.492 1.00 64.20 H new ATOM 0 HD12 LEU A 99 3.750 -7.836 -19.526 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.722 -6.416 -19.073 1.00 64.20 H new ATOM 0 HD21 LEU A 99 2.445 -4.374 -19.439 1.00 2.44 H new ATOM 0 HD22 LEU A 99 4.096 -4.133 -20.058 1.00 2.44 H new ATOM 0 HD23 LEU A 99 2.707 -4.037 -21.167 1.00 2.44 H new ATOM 1588 N GLU A 100 4.191 -3.120 -23.085 1.00 64.22 N ATOM 1589 CA GLU A 100 4.969 -1.892 -23.195 1.00 43.31 C ATOM 1590 C GLU A 100 5.141 -1.233 -21.830 1.00 30.33 C ATOM 1591 O GLU A 100 4.162 -0.875 -21.174 1.00 5.33 O ATOM 1592 CB GLU A 100 4.295 -0.919 -24.163 1.00 12.53 C ATOM 1593 CG GLU A 100 5.266 0.030 -24.847 1.00 51.33 C ATOM 1594 CD GLU A 100 4.688 1.419 -25.035 1.00 23.35 C ATOM 1595 OE1 GLU A 100 4.041 1.926 -24.094 1.00 13.23 O ATOM 1596 OE2 GLU A 100 4.883 2.000 -26.123 1.00 3.32 O ATOM 0 H GLU A 100 3.191 -2.974 -22.946 1.00 64.22 H new ATOM 0 HA GLU A 100 5.955 -2.151 -23.581 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.760 -1.488 -24.923 1.00 12.53 H new ATOM 0 HB3 GLU A 100 3.552 -0.336 -23.620 1.00 12.53 H new ATOM 0 HG2 GLU A 100 6.180 0.097 -24.256 1.00 51.33 H new ATOM 0 HG3 GLU A 100 5.544 -0.378 -25.819 1.00 51.33 H new ATOM 1603 N ARG A 101 6.392 -1.074 -21.408 1.00 4.25 N ATOM 1604 CA ARG A 101 6.692 -0.460 -20.120 1.00 32.41 C ATOM 1605 C ARG A 101 7.645 0.720 -20.290 1.00 74.21 C ATOM 1606 O ARG A 101 8.787 0.551 -20.718 1.00 12.55 O ATOM 1607 CB ARG A 101 7.302 -1.490 -19.169 1.00 44.21 C ATOM 1608 CG ARG A 101 7.033 -1.199 -17.702 1.00 1.21 C ATOM 1609 CD ARG A 101 7.899 -2.060 -16.795 1.00 54.35 C ATOM 1610 NE ARG A 101 7.745 -1.700 -15.388 1.00 52.24 N ATOM 1611 CZ ARG A 101 8.197 -2.445 -14.386 1.00 25.22 C ATOM 1612 NH1 ARG A 101 8.828 -3.584 -14.634 1.00 24.34 N ATOM 1613 NH2 ARG A 101 8.019 -2.050 -13.132 1.00 11.44 N ATOM 0 H ARG A 101 7.214 -1.362 -21.939 1.00 4.25 H new ATOM 0 HA ARG A 101 5.758 -0.093 -19.694 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.907 -2.476 -19.413 1.00 44.21 H new ATOM 0 HB3 ARG A 101 8.379 -1.529 -19.331 1.00 44.21 H new ATOM 0 HG2 ARG A 101 7.225 -0.146 -17.498 1.00 1.21 H new ATOM 0 HG3 ARG A 101 5.981 -1.380 -17.481 1.00 1.21 H new ATOM 0 HD2 ARG A 101 7.636 -3.109 -16.932 1.00 54.35 H new ATOM 0 HD3 ARG A 101 8.945 -1.953 -17.084 1.00 54.35 H new ATOM 0 HE ARG A 101 7.264 -0.829 -15.163 1.00 52.24 H new ATOM 0 HH11 ARG A 101 8.968 -3.891 -15.597 1.00 24.34 H new ATOM 0 HH12 ARG A 101 9.174 -4.154 -13.862 1.00 24.34 H new ATOM 0 HH21 ARG A 101 7.535 -1.174 -12.937 1.00 11.44 H new ATOM 0 HH22 ARG A 101 8.366 -2.623 -12.363 1.00 11.44 H new ATOM 1627 N ASP A 102 7.168 1.913 -19.953 1.00 73.03 N ATOM 1628 CA ASP A 102 7.978 3.120 -20.067 1.00 63.23 C ATOM 1629 C ASP A 102 8.421 3.342 -21.510 1.00 24.24 C ATOM 1630 O ASP A 102 9.448 3.971 -21.764 1.00 10.42 O ATOM 1631 CB ASP A 102 9.200 3.029 -19.153 1.00 41.13 C ATOM 1632 CG ASP A 102 8.881 2.375 -17.822 1.00 72.41 C ATOM 1633 OD1 ASP A 102 7.868 2.760 -17.200 1.00 22.03 O ATOM 1634 OD2 ASP A 102 9.642 1.479 -17.403 1.00 51.21 O ATOM 0 H ASP A 102 6.225 2.070 -19.599 1.00 73.03 H new ATOM 0 HA ASP A 102 7.367 3.968 -19.759 1.00 63.23 H new ATOM 0 HB2 ASP A 102 9.984 2.461 -19.655 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.594 4.030 -18.977 1.00 41.13 H new ATOM 1639 N GLY A 103 7.641 2.820 -22.450 1.00 2.43 N ATOM 1640 CA GLY A 103 7.970 2.971 -23.856 1.00 31.54 C ATOM 1641 C GLY A 103 8.628 1.733 -24.434 1.00 30.50 C ATOM 1642 O GLY A 103 8.464 1.427 -25.614 1.00 10.41 O ATOM 0 H GLY A 103 6.787 2.295 -22.264 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.062 3.191 -24.417 1.00 31.54 H new ATOM 0 HA3 GLY A 103 8.636 3.825 -23.980 1.00 31.54 H new ATOM 1646 N LYS A 104 9.376 1.019 -23.600 1.00 25.14 N ATOM 1647 CA LYS A 104 10.061 -0.193 -24.033 1.00 25.34 C ATOM 1648 C LYS A 104 9.067 -1.324 -24.272 1.00 14.23 C ATOM 1649 O LYS A 104 8.174 -1.564 -23.457 1.00 31.24 O ATOM 1650 CB LYS A 104 11.094 -0.621 -22.989 1.00 11.12 C ATOM 1651 CG LYS A 104 12.209 -1.484 -23.553 1.00 33.24 C ATOM 1652 CD LYS A 104 11.854 -2.961 -23.497 1.00 41.15 C ATOM 1653 CE LYS A 104 12.268 -3.583 -22.172 1.00 4.32 C ATOM 1654 NZ LYS A 104 11.228 -3.393 -21.122 1.00 32.45 N ATOM 0 H LYS A 104 9.523 1.259 -22.620 1.00 25.14 H new ATOM 0 HA LYS A 104 10.571 0.024 -24.972 1.00 25.34 H new ATOM 0 HB2 LYS A 104 11.529 0.269 -22.535 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.589 -1.169 -22.194 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.407 -1.195 -24.585 1.00 33.24 H new ATOM 0 HG3 LYS A 104 13.126 -1.308 -22.991 1.00 33.24 H new ATOM 0 HD2 LYS A 104 10.780 -3.084 -23.638 1.00 41.15 H new ATOM 0 HD3 LYS A 104 12.346 -3.486 -24.316 1.00 41.15 H new ATOM 0 HE2 LYS A 104 12.452 -4.648 -22.312 1.00 4.32 H new ATOM 0 HE3 LYS A 104 13.206 -3.138 -21.839 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 11.295 -4.161 -20.424 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 11.377 -2.480 -20.647 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 10.285 -3.405 -21.561 1.00 32.45 H new ATOM 1668 N LEU A 105 9.227 -2.020 -25.393 1.00 31.53 N ATOM 1669 CA LEU A 105 8.344 -3.128 -25.739 1.00 20.33 C ATOM 1670 C LEU A 105 8.972 -4.465 -25.356 1.00 75.31 C ATOM 1671 O LEU A 105 10.148 -4.708 -25.622 1.00 23.42 O ATOM 1672 CB LEU A 105 8.031 -3.110 -27.235 1.00 32.41 C ATOM 1673 CG LEU A 105 6.655 -3.637 -27.640 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.564 -2.669 -27.207 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.594 -3.873 -29.143 1.00 22.22 C ATOM 0 H LEU A 105 9.960 -1.836 -26.078 1.00 31.53 H new ATOM 0 HA LEU A 105 7.417 -3.008 -25.179 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.125 -2.085 -27.593 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.789 -3.698 -27.751 1.00 32.41 H new ATOM 0 HG LEU A 105 6.490 -4.589 -27.136 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.591 -3.061 -27.504 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.592 -2.550 -26.124 1.00 35.41 H new ATOM 0 HD13 LEU A 105 5.726 -1.702 -27.683 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.607 -4.248 -29.413 1.00 22.22 H new ATOM 0 HD22 LEU A 105 6.781 -2.935 -29.666 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.350 -4.605 -29.427 1.00 22.22 H new ATOM 1687 N MET A 106 8.178 -5.329 -24.731 1.00 74.33 N ATOM 1688 CA MET A 106 8.656 -6.642 -24.314 1.00 20.31 C ATOM 1689 C MET A 106 7.763 -7.747 -24.871 1.00 43.33 C ATOM 1690 O MET A 106 6.550 -7.575 -24.995 1.00 3.02 O ATOM 1691 CB MET A 106 8.705 -6.730 -22.789 1.00 44.33 C ATOM 1692 CG MET A 106 10.063 -6.377 -22.203 1.00 71.01 C ATOM 1693 SD MET A 106 11.172 -7.796 -22.115 1.00 50.21 S ATOM 1694 CE MET A 106 10.907 -8.330 -20.426 1.00 61.54 C ATOM 0 H MET A 106 7.201 -5.143 -24.502 1.00 74.33 H new ATOM 0 HA MET A 106 9.662 -6.778 -24.710 1.00 20.31 H new ATOM 0 HB2 MET A 106 7.953 -6.061 -22.370 1.00 44.33 H new ATOM 0 HB3 MET A 106 8.438 -7.742 -22.483 1.00 44.33 H new ATOM 0 HG2 MET A 106 10.524 -5.597 -22.809 1.00 71.01 H new ATOM 0 HG3 MET A 106 9.927 -5.965 -21.203 1.00 71.01 H new ATOM 0 HE1 MET A 106 11.526 -9.203 -20.219 1.00 61.54 H new ATOM 0 HE2 MET A 106 11.176 -7.524 -19.743 1.00 61.54 H new ATOM 0 HE3 MET A 106 9.857 -8.588 -20.287 1.00 61.54 H new ATOM 1704 N VAL A 107 8.371 -8.881 -25.206 1.00 75.01 N ATOM 1705 CA VAL A 107 7.630 -10.013 -25.747 1.00 61.12 C ATOM 1706 C VAL A 107 7.187 -10.962 -24.639 1.00 44.11 C ATOM 1707 O VAL A 107 7.908 -11.175 -23.665 1.00 61.33 O ATOM 1708 CB VAL A 107 8.474 -10.797 -26.772 1.00 11.11 C ATOM 1709 CG1 VAL A 107 7.626 -11.852 -27.466 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.095 -9.848 -27.786 1.00 1.13 C ATOM 0 H VAL A 107 9.374 -9.039 -25.112 1.00 75.01 H new ATOM 0 HA VAL A 107 6.750 -9.606 -26.245 1.00 61.12 H new ATOM 0 HB VAL A 107 9.280 -11.305 -26.242 1.00 11.11 H new ATOM 0 HG11 VAL A 107 8.238 -12.395 -28.186 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.233 -12.548 -26.725 1.00 22.41 H new ATOM 0 HG13 VAL A 107 6.798 -11.369 -27.985 1.00 22.41 H new ATOM 0 HG21 VAL A 107 9.687 -10.418 -28.502 1.00 1.13 H new ATOM 0 HG22 VAL A 107 8.306 -9.312 -28.313 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.737 -9.134 -27.270 1.00 1.13 H new ATOM 1720 N GLY A 108 5.995 -11.531 -24.795 1.00 3.25 N ATOM 1721 CA GLY A 108 5.476 -12.451 -23.800 1.00 34.24 C ATOM 1722 C GLY A 108 6.339 -13.688 -23.648 1.00 63.12 C ATOM 1723 O GLY A 108 7.085 -14.049 -24.558 1.00 74.34 O ATOM 0 H GLY A 108 5.380 -11.371 -25.593 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.406 -11.941 -22.839 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.465 -12.749 -24.078 1.00 34.24 H new ATOM 1727 N PHE A 109 6.238 -14.339 -22.494 1.00 65.53 N ATOM 1728 CA PHE A 109 7.018 -15.542 -22.224 1.00 34.22 C ATOM 1729 C PHE A 109 6.133 -16.647 -21.656 1.00 13.12 C ATOM 1730 O PHE A 109 5.079 -16.380 -21.077 1.00 33.42 O ATOM 1731 CB PHE A 109 8.154 -15.230 -21.248 1.00 43.33 C ATOM 1732 CG PHE A 109 9.337 -14.571 -21.896 1.00 4.44 C ATOM 1733 CD1 PHE A 109 10.055 -15.223 -22.886 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.734 -13.299 -21.516 1.00 64.54 C ATOM 1735 CE1 PHE A 109 11.144 -14.620 -23.486 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.822 -12.690 -22.111 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.529 -13.351 -23.097 1.00 13.51 C ATOM 0 H PHE A 109 5.624 -14.054 -21.731 1.00 65.53 H new ATOM 0 HA PHE A 109 7.443 -15.889 -23.166 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.775 -14.582 -20.457 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.479 -16.156 -20.773 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.759 -16.216 -23.193 1.00 74.21 H new ATOM 0 HD2 PHE A 109 9.186 -12.777 -20.745 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.693 -15.139 -24.257 1.00 22.11 H new ATOM 0 HE2 PHE A 109 11.120 -11.698 -21.806 1.00 30.44 H new ATOM 0 HZ PHE A 109 12.380 -12.877 -23.563 1.00 13.51 H new ATOM 1747 N LYS A 110 6.569 -17.891 -21.825 1.00 53.10 N ATOM 1748 CA LYS A 110 5.818 -19.039 -21.331 1.00 31.01 C ATOM 1749 C LYS A 110 5.468 -18.865 -19.856 1.00 43.41 C ATOM 1750 O LYS A 110 6.075 -18.069 -19.139 1.00 73.41 O ATOM 1751 CB LYS A 110 6.626 -20.324 -21.526 1.00 1.21 C ATOM 1752 CG LYS A 110 6.371 -21.006 -22.858 1.00 30.45 C ATOM 1753 CD LYS A 110 5.756 -22.383 -22.672 1.00 25.15 C ATOM 1754 CE LYS A 110 6.010 -23.274 -23.878 1.00 71.12 C ATOM 1755 NZ LYS A 110 5.497 -22.665 -25.136 1.00 33.33 N ATOM 0 H LYS A 110 7.439 -18.130 -22.301 1.00 53.10 H new ATOM 0 HA LYS A 110 4.891 -19.109 -21.901 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.688 -20.092 -21.444 1.00 1.21 H new ATOM 0 HB3 LYS A 110 6.388 -21.019 -20.720 1.00 1.21 H new ATOM 0 HG2 LYS A 110 5.706 -20.389 -23.462 1.00 30.45 H new ATOM 0 HG3 LYS A 110 7.309 -21.097 -23.407 1.00 30.45 H new ATOM 0 HD2 LYS A 110 6.171 -22.850 -21.779 1.00 25.15 H new ATOM 0 HD3 LYS A 110 4.683 -22.285 -22.511 1.00 25.15 H new ATOM 0 HE2 LYS A 110 7.080 -23.459 -23.974 1.00 71.12 H new ATOM 0 HE3 LYS A 110 5.532 -24.241 -23.722 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 5.534 -23.367 -25.902 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 4.514 -22.357 -24.997 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 6.084 -21.845 -25.389 1.00 33.33 H new ATOM 1769 N PRO A 111 4.466 -19.626 -19.391 1.00 3.22 N ATOM 1770 CA PRO A 111 4.015 -19.575 -17.997 1.00 31.43 C ATOM 1771 C PRO A 111 5.041 -20.163 -17.034 1.00 53.03 C ATOM 1772 O PRO A 111 5.372 -19.554 -16.018 1.00 72.25 O ATOM 1773 CB PRO A 111 2.742 -20.425 -18.006 1.00 2.05 C ATOM 1774 CG PRO A 111 2.915 -21.357 -19.156 1.00 62.33 C ATOM 1775 CD PRO A 111 3.699 -20.596 -20.190 1.00 71.40 C ATOM 0 HA PRO A 111 3.859 -18.552 -17.656 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.624 -20.970 -17.069 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.854 -19.806 -18.129 1.00 2.05 H new ATOM 0 HG2 PRO A 111 3.444 -22.260 -18.851 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.950 -21.672 -19.552 1.00 62.33 H new ATOM 0 HD2 PRO A 111 4.354 -21.253 -20.761 1.00 71.40 H new ATOM 0 HD3 PRO A 111 3.044 -20.099 -20.905 1.00 71.40 H new ATOM 1783 N ALA A 112 5.540 -21.351 -17.360 1.00 62.44 N ATOM 1784 CA ALA A 112 6.530 -22.019 -16.524 1.00 52.52 C ATOM 1785 C ALA A 112 7.779 -21.161 -16.361 1.00 34.24 C ATOM 1786 O ALA A 112 8.367 -21.105 -15.280 1.00 74.33 O ATOM 1787 CB ALA A 112 6.891 -23.374 -17.115 1.00 45.03 C ATOM 0 H ALA A 112 5.275 -21.870 -18.197 1.00 62.44 H new ATOM 0 HA ALA A 112 6.094 -22.170 -15.537 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.631 -23.862 -16.481 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.997 -23.995 -17.174 1.00 45.03 H new ATOM 0 HB3 ALA A 112 7.304 -23.237 -18.115 1.00 45.03 H new ATOM 1793 N GLN A 113 8.180 -20.495 -17.439 1.00 34.25 N ATOM 1794 CA GLN A 113 9.361 -19.641 -17.414 1.00 42.12 C ATOM 1795 C GLN A 113 9.102 -18.378 -16.599 1.00 63.54 C ATOM 1796 O GLN A 113 9.893 -18.016 -15.727 1.00 30.03 O ATOM 1797 CB GLN A 113 9.777 -19.267 -18.838 1.00 62.35 C ATOM 1798 CG GLN A 113 9.980 -20.469 -19.747 1.00 53.13 C ATOM 1799 CD GLN A 113 11.146 -21.336 -19.316 1.00 30.34 C ATOM 1800 OE1 GLN A 113 12.263 -20.851 -19.137 1.00 1.43 O ATOM 1801 NE2 GLN A 113 10.891 -22.629 -19.147 1.00 31.33 N ATOM 0 H GLN A 113 7.704 -20.531 -18.341 1.00 34.25 H new ATOM 0 HA GLN A 113 10.170 -20.197 -16.941 1.00 42.12 H new ATOM 0 HB2 GLN A 113 9.016 -18.618 -19.272 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.702 -18.691 -18.798 1.00 62.35 H new ATOM 0 HG2 GLN A 113 9.070 -21.069 -19.758 1.00 53.13 H new ATOM 0 HG3 GLN A 113 10.146 -20.124 -20.767 1.00 53.13 H new ATOM 0 HE21 GLN A 113 9.950 -22.988 -19.307 1.00 31.33 H new ATOM 0 HE22 GLN A 113 11.636 -23.262 -18.858 1.00 31.33 H new ATOM 1810 N TYR A 114 7.991 -17.709 -16.889 1.00 74.31 N ATOM 1811 CA TYR A 114 7.630 -16.485 -16.186 1.00 32.54 C ATOM 1812 C TYR A 114 7.589 -16.714 -14.678 1.00 30.52 C ATOM 1813 O TYR A 114 8.058 -15.885 -13.901 1.00 21.43 O ATOM 1814 CB TYR A 114 6.273 -15.974 -16.673 1.00 52.21 C ATOM 1815 CG TYR A 114 6.136 -14.469 -16.617 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.080 -13.644 -17.215 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.063 -13.873 -15.966 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.960 -12.269 -17.166 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.934 -12.499 -15.914 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.885 -11.701 -16.514 1.00 74.52 C ATOM 1821 OH TYR A 114 5.761 -10.331 -16.464 1.00 24.42 O ATOM 0 H TYR A 114 7.325 -17.995 -17.607 1.00 74.31 H new ATOM 0 HA TYR A 114 8.391 -15.735 -16.400 1.00 32.54 H new ATOM 0 HB2 TYR A 114 6.116 -16.307 -17.699 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.486 -16.425 -16.068 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.922 -14.085 -17.727 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.317 -14.495 -15.493 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.704 -11.642 -17.635 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.092 -12.052 -15.406 1.00 0.14 H new ATOM 0 HH TYR A 114 4.949 -10.094 -15.969 1.00 24.42 H new ATOM 1831 N GLU A 115 7.024 -17.848 -14.274 1.00 14.02 N ATOM 1832 CA GLU A 115 6.922 -18.187 -12.860 1.00 22.21 C ATOM 1833 C GLU A 115 8.292 -18.524 -12.280 1.00 15.44 C ATOM 1834 O GLU A 115 8.686 -17.991 -11.243 1.00 4.40 O ATOM 1835 CB GLU A 115 5.969 -19.369 -12.664 1.00 5.22 C ATOM 1836 CG GLU A 115 4.590 -19.144 -13.260 1.00 30.50 C ATOM 1837 CD GLU A 115 3.511 -19.012 -12.202 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.806 -18.460 -11.121 1.00 14.10 O ATOM 1839 OE2 GLU A 115 2.373 -19.459 -12.455 1.00 54.12 O ATOM 0 H GLU A 115 6.631 -18.546 -14.905 1.00 14.02 H new ATOM 0 HA GLU A 115 6.527 -17.319 -12.333 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.409 -20.259 -13.114 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.866 -19.569 -11.597 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.606 -18.242 -13.872 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.345 -19.974 -13.922 1.00 30.50 H new ATOM 1846 N ALA A 116 9.013 -19.412 -12.957 1.00 50.22 N ATOM 1847 CA ALA A 116 10.339 -19.818 -12.511 1.00 4.31 C ATOM 1848 C ALA A 116 11.279 -18.620 -12.419 1.00 51.44 C ATOM 1849 O ALA A 116 12.199 -18.602 -11.601 1.00 72.23 O ATOM 1850 CB ALA A 116 10.913 -20.869 -13.450 1.00 54.13 C ATOM 0 H ALA A 116 8.700 -19.864 -13.816 1.00 50.22 H new ATOM 0 HA ALA A 116 10.243 -20.249 -11.515 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.904 -21.163 -13.105 1.00 54.13 H new ATOM 0 HB2 ALA A 116 10.260 -21.741 -13.463 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.987 -20.456 -14.456 1.00 54.13 H new ATOM 1856 N TYR A 117 11.041 -17.622 -13.262 1.00 54.32 N ATOM 1857 CA TYR A 117 11.869 -16.421 -13.277 1.00 43.12 C ATOM 1858 C TYR A 117 11.425 -15.440 -12.196 1.00 23.32 C ATOM 1859 O TYR A 117 12.251 -14.793 -11.553 1.00 72.22 O ATOM 1860 CB TYR A 117 11.803 -15.748 -14.650 1.00 24.03 C ATOM 1861 CG TYR A 117 12.601 -14.467 -14.734 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.985 -14.479 -14.623 1.00 53.14 C ATOM 1863 CD2 TYR A 117 11.970 -13.244 -14.928 1.00 22.44 C ATOM 1864 CE1 TYR A 117 14.719 -13.311 -14.699 1.00 11.13 C ATOM 1865 CE2 TYR A 117 12.695 -12.071 -15.007 1.00 40.30 C ATOM 1866 CZ TYR A 117 14.069 -12.110 -14.892 1.00 14.53 C ATOM 1867 OH TYR A 117 14.796 -10.943 -14.970 1.00 31.20 O ATOM 0 H TYR A 117 10.282 -17.620 -13.944 1.00 54.32 H new ATOM 0 HA TYR A 117 12.898 -16.717 -13.073 1.00 43.12 H new ATOM 0 HB2 TYR A 117 12.169 -16.444 -15.405 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.762 -15.534 -14.891 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.497 -15.418 -14.475 1.00 53.14 H new ATOM 0 HD2 TYR A 117 10.894 -13.210 -15.019 1.00 22.44 H new ATOM 0 HE1 TYR A 117 15.795 -13.338 -14.608 1.00 11.13 H new ATOM 0 HE2 TYR A 117 12.189 -11.129 -15.158 1.00 40.30 H new ATOM 0 HH TYR A 117 14.188 -10.187 -15.109 1.00 31.20 H new ATOM 1877 N PHE A 118 10.115 -15.337 -12.000 1.00 14.14 N ATOM 1878 CA PHE A 118 9.559 -14.436 -10.998 1.00 2.10 C ATOM 1879 C PHE A 118 9.257 -15.185 -9.702 1.00 23.32 C ATOM 1880 O PHE A 118 8.336 -14.829 -8.967 1.00 14.34 O ATOM 1881 CB PHE A 118 8.286 -13.773 -11.527 1.00 24.24 C ATOM 1882 CG PHE A 118 7.905 -12.526 -10.781 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.801 -11.476 -10.660 1.00 41.02 C ATOM 1884 CD2 PHE A 118 6.653 -12.404 -10.202 1.00 55.11 C ATOM 1885 CE1 PHE A 118 8.454 -10.327 -9.973 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.300 -11.258 -9.514 1.00 41.31 C ATOM 1887 CZ PHE A 118 7.201 -10.217 -9.401 1.00 31.03 C ATOM 0 H PHE A 118 9.418 -15.867 -12.523 1.00 14.14 H new ATOM 0 HA PHE A 118 10.300 -13.665 -10.787 1.00 2.10 H new ATOM 0 HB2 PHE A 118 8.424 -13.529 -12.580 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.464 -14.486 -11.470 1.00 24.24 H new ATOM 0 HD1 PHE A 118 9.781 -11.556 -11.107 1.00 41.02 H new ATOM 0 HD2 PHE A 118 5.944 -13.214 -10.289 1.00 55.11 H new ATOM 0 HE1 PHE A 118 9.162 -9.516 -9.884 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.321 -11.177 -9.065 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.927 -9.319 -8.867 1.00 31.03 H new