USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 541 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 Single : A 1 GLY N :NH3+ -144:sc= 0.0478 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 48:sc= 0.261 USER MOD Single : A 7 ASN : amide:sc= 0.02 K(o=0.02,f=-3.8!) USER MOD Single : A 13 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.00037) USER MOD Single : A 21 ASN : amide:sc= 0.31 K(o=0.31,f=-6.5!) USER MOD Single : A 25 GLN : amide:sc= -1.65! C(o=-1.7!,f=-2.2!) USER MOD Single : A 26 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.52) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -2.63! K(o=-2.6!,f=-0.81) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 51 CYS SG : rot 95:sc= 0.644 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= -0.847! (180deg=-1.12!) USER MOD Single : A 58 ASN : amide:sc= 1.18 K(o=1.2,f=-0.11) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= -0.0689 (180deg=-0.344) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 164:sc= -0.107 (180deg=-0.494) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.522 17.570 4.045 1.00 31.20 N ATOM 2 CA GLY A 1 13.521 16.401 3.130 1.00 10.23 C ATOM 3 C GLY A 1 13.270 16.811 1.697 1.00 51.44 C ATOM 4 O GLY A 1 13.559 17.946 1.312 1.00 41.30 O ATOM 0 H1 GLY A 1 14.231 17.425 4.792 1.00 31.20 H new ATOM 0 H2 GLY A 1 13.755 18.430 3.509 1.00 31.20 H new ATOM 0 H3 GLY A 1 12.581 17.674 4.476 1.00 31.20 H new ATOM 0 HA2 GLY A 1 14.479 15.885 3.198 1.00 10.23 H new ATOM 0 HA3 GLY A 1 12.754 15.693 3.445 1.00 10.23 H new ATOM 10 N SER A 2 12.738 15.896 0.901 1.00 44.31 N ATOM 11 CA SER A 2 12.391 16.203 -0.475 1.00 51.41 C ATOM 12 C SER A 2 10.890 16.438 -0.599 1.00 3.41 C ATOM 13 O SER A 2 10.088 15.563 -0.276 1.00 33.54 O ATOM 14 CB SER A 2 12.834 15.071 -1.405 1.00 75.52 C ATOM 15 OG SER A 2 14.246 14.955 -1.423 1.00 2.30 O ATOM 0 H SER A 2 12.538 14.937 1.185 1.00 44.31 H new ATOM 0 HA SER A 2 12.912 17.113 -0.771 1.00 51.41 H new ATOM 0 HB2 SER A 2 12.392 14.131 -1.076 1.00 75.52 H new ATOM 0 HB3 SER A 2 12.468 15.260 -2.414 1.00 75.52 H new ATOM 0 HG SER A 2 14.507 14.225 -2.022 1.00 2.30 H new ATOM 21 N HIS A 3 10.514 17.635 -1.027 1.00 30.40 N ATOM 22 CA HIS A 3 9.112 17.969 -1.234 1.00 72.41 C ATOM 23 C HIS A 3 8.745 17.768 -2.700 1.00 50.22 C ATOM 24 O HIS A 3 8.769 18.706 -3.499 1.00 32.52 O ATOM 25 CB HIS A 3 8.822 19.412 -0.789 1.00 44.24 C ATOM 26 CG HIS A 3 7.392 19.832 -0.963 1.00 22.24 C ATOM 27 ND1 HIS A 3 7.010 20.925 -1.717 1.00 21.41 N ATOM 28 CD2 HIS A 3 6.250 19.303 -0.467 1.00 61.01 C ATOM 29 CE1 HIS A 3 5.697 21.044 -1.678 1.00 61.52 C ATOM 30 NE2 HIS A 3 5.212 20.074 -0.927 1.00 75.34 N ATOM 0 H HIS A 3 11.163 18.393 -1.238 1.00 30.40 H new ATOM 0 HA HIS A 3 8.499 17.305 -0.625 1.00 72.41 H new ATOM 0 HB2 HIS A 3 9.095 19.519 0.261 1.00 44.24 H new ATOM 0 HB3 HIS A 3 9.460 20.090 -1.355 1.00 44.24 H new ATOM 0 HD2 HIS A 3 6.170 18.436 0.172 1.00 61.01 H new ATOM 0 HE1 HIS A 3 5.117 21.807 -2.177 1.00 61.52 H new ATOM 0 HE2 HIS A 3 4.225 19.922 -0.721 1.00 75.34 H new ATOM 39 N MET A 4 8.447 16.529 -3.049 1.00 3.32 N ATOM 40 CA MET A 4 8.087 16.184 -4.413 1.00 2.41 C ATOM 41 C MET A 4 6.620 16.506 -4.678 1.00 55.24 C ATOM 42 O MET A 4 5.728 16.040 -3.970 1.00 31.15 O ATOM 43 CB MET A 4 8.374 14.699 -4.698 1.00 71.04 C ATOM 44 CG MET A 4 7.631 13.722 -3.792 1.00 71.13 C ATOM 45 SD MET A 4 8.254 13.708 -2.097 1.00 63.41 S ATOM 46 CE MET A 4 7.165 12.494 -1.353 1.00 35.41 C ATOM 0 H MET A 4 8.447 15.740 -2.402 1.00 3.32 H new ATOM 0 HA MET A 4 8.699 16.783 -5.087 1.00 2.41 H new ATOM 0 HB2 MET A 4 8.112 14.484 -5.734 1.00 71.04 H new ATOM 0 HB3 MET A 4 9.445 14.524 -4.598 1.00 71.04 H new ATOM 0 HG2 MET A 4 6.572 13.981 -3.781 1.00 71.13 H new ATOM 0 HG3 MET A 4 7.710 12.718 -4.209 1.00 71.13 H new ATOM 0 HE1 MET A 4 7.422 12.371 -0.301 1.00 35.41 H new ATOM 0 HE2 MET A 4 6.132 12.832 -1.437 1.00 35.41 H new ATOM 0 HE3 MET A 4 7.277 11.540 -1.868 1.00 35.41 H new ATOM 56 N SER A 5 6.380 17.327 -5.685 1.00 72.44 N ATOM 57 CA SER A 5 5.024 17.676 -6.072 1.00 62.14 C ATOM 58 C SER A 5 4.509 16.684 -7.107 1.00 41.42 C ATOM 59 O SER A 5 5.065 16.576 -8.204 1.00 73.33 O ATOM 60 CB SER A 5 4.981 19.101 -6.627 1.00 23.11 C ATOM 61 OG SER A 5 5.433 20.038 -5.658 1.00 55.22 O ATOM 0 H SER A 5 7.107 17.765 -6.250 1.00 72.44 H new ATOM 0 HA SER A 5 4.381 17.631 -5.193 1.00 62.14 H new ATOM 0 HB2 SER A 5 5.603 19.167 -7.520 1.00 23.11 H new ATOM 0 HB3 SER A 5 3.963 19.347 -6.929 1.00 23.11 H new ATOM 0 HG SER A 5 5.398 20.942 -6.036 1.00 55.22 H new ATOM 67 N THR A 6 3.468 15.945 -6.750 1.00 40.04 N ATOM 68 CA THR A 6 2.897 14.950 -7.641 1.00 24.21 C ATOM 69 C THR A 6 2.132 15.609 -8.782 1.00 14.44 C ATOM 70 O THR A 6 0.975 16.001 -8.625 1.00 35.34 O ATOM 71 CB THR A 6 1.968 13.985 -6.881 1.00 73.13 C ATOM 72 OG1 THR A 6 1.047 14.724 -6.070 1.00 12.14 O ATOM 73 CG2 THR A 6 2.770 13.040 -6.005 1.00 54.50 C ATOM 0 H THR A 6 3.002 16.018 -5.846 1.00 40.04 H new ATOM 0 HA THR A 6 3.726 14.378 -8.058 1.00 24.21 H new ATOM 0 HB THR A 6 1.416 13.398 -7.615 1.00 73.13 H new ATOM 0 HG1 THR A 6 0.642 15.439 -6.604 1.00 12.14 H new ATOM 0 HG21 THR A 6 2.092 12.368 -5.478 1.00 54.50 H new ATOM 0 HG22 THR A 6 3.449 12.456 -6.626 1.00 54.50 H new ATOM 0 HG23 THR A 6 3.346 13.616 -5.280 1.00 54.50 H new ATOM 81 N ASN A 7 2.801 15.757 -9.915 1.00 21.12 N ATOM 82 CA ASN A 7 2.188 16.326 -11.105 1.00 5.45 C ATOM 83 C ASN A 7 1.785 15.212 -12.065 1.00 71.11 C ATOM 84 O ASN A 7 2.632 14.443 -12.525 1.00 71.44 O ATOM 85 CB ASN A 7 3.158 17.295 -11.795 1.00 2.25 C ATOM 86 CG ASN A 7 2.572 17.924 -13.049 1.00 64.14 C ATOM 87 OD1 ASN A 7 1.363 18.129 -13.157 1.00 33.10 O ATOM 88 ND2 ASN A 7 3.432 18.234 -14.008 1.00 14.13 N ATOM 0 H ASN A 7 3.778 15.488 -10.035 1.00 21.12 H new ATOM 0 HA ASN A 7 1.297 16.880 -10.810 1.00 5.45 H new ATOM 0 HB2 ASN A 7 3.436 18.083 -11.095 1.00 2.25 H new ATOM 0 HB3 ASN A 7 4.073 16.762 -12.055 1.00 2.25 H new ATOM 0 HD21 ASN A 7 3.099 18.658 -14.874 1.00 14.13 H new ATOM 0 HD22 ASN A 7 4.427 18.048 -13.880 1.00 14.13 H new ATOM 95 N PRO A 8 0.482 15.099 -12.361 1.00 32.14 N ATOM 96 CA PRO A 8 -0.046 14.078 -13.275 1.00 3.51 C ATOM 97 C PRO A 8 0.447 14.264 -14.711 1.00 72.03 C ATOM 98 O PRO A 8 0.413 13.332 -15.519 1.00 13.12 O ATOM 99 CB PRO A 8 -1.569 14.272 -13.206 1.00 60.32 C ATOM 100 CG PRO A 8 -1.808 15.086 -11.981 1.00 2.35 C ATOM 101 CD PRO A 8 -0.589 15.941 -11.811 1.00 35.24 C ATOM 0 HA PRO A 8 0.281 13.079 -12.987 1.00 3.51 H new ATOM 0 HB2 PRO A 8 -1.941 14.781 -14.095 1.00 60.32 H new ATOM 0 HB3 PRO A 8 -2.085 13.314 -13.148 1.00 60.32 H new ATOM 0 HG2 PRO A 8 -2.703 15.699 -12.088 1.00 2.35 H new ATOM 0 HG3 PRO A 8 -1.961 14.447 -11.111 1.00 2.35 H new ATOM 0 HD2 PRO A 8 -0.679 16.884 -12.350 1.00 35.24 H new ATOM 0 HD3 PRO A 8 -0.412 16.188 -10.764 1.00 35.24 H new ATOM 109 N PHE A 9 0.912 15.468 -15.020 1.00 64.42 N ATOM 110 CA PHE A 9 1.387 15.781 -16.357 1.00 65.22 C ATOM 111 C PHE A 9 2.903 15.624 -16.438 1.00 52.40 C ATOM 112 O PHE A 9 3.574 15.460 -15.419 1.00 1.13 O ATOM 113 CB PHE A 9 0.977 17.206 -16.741 1.00 74.45 C ATOM 114 CG PHE A 9 -0.505 17.445 -16.659 1.00 53.32 C ATOM 115 CD1 PHE A 9 -1.360 16.926 -17.616 1.00 55.12 C ATOM 116 CD2 PHE A 9 -1.042 18.191 -15.621 1.00 14.23 C ATOM 117 CE1 PHE A 9 -2.721 17.141 -17.540 1.00 3.35 C ATOM 118 CE2 PHE A 9 -2.403 18.409 -15.539 1.00 51.32 C ATOM 119 CZ PHE A 9 -3.244 17.885 -16.501 1.00 24.54 C ATOM 0 H PHE A 9 0.969 16.243 -14.360 1.00 64.42 H new ATOM 0 HA PHE A 9 0.932 15.083 -17.060 1.00 65.22 H new ATOM 0 HB2 PHE A 9 1.488 17.912 -16.086 1.00 74.45 H new ATOM 0 HB3 PHE A 9 1.315 17.412 -17.757 1.00 74.45 H new ATOM 0 HD1 PHE A 9 -0.957 16.345 -18.433 1.00 55.12 H new ATOM 0 HD2 PHE A 9 -0.388 18.606 -14.868 1.00 14.23 H new ATOM 0 HE1 PHE A 9 -3.376 16.728 -18.292 1.00 3.35 H new ATOM 0 HE2 PHE A 9 -2.809 18.989 -14.723 1.00 51.32 H new ATOM 0 HZ PHE A 9 -4.309 18.057 -16.441 1.00 24.54 H new ATOM 129 N ASP A 10 3.432 15.669 -17.651 1.00 53.22 N ATOM 130 CA ASP A 10 4.864 15.478 -17.872 1.00 14.33 C ATOM 131 C ASP A 10 5.500 16.756 -18.413 1.00 73.42 C ATOM 132 O ASP A 10 6.724 16.910 -18.421 1.00 2.11 O ATOM 133 CB ASP A 10 5.074 14.319 -18.852 1.00 13.04 C ATOM 134 CG ASP A 10 6.536 13.993 -19.091 1.00 73.13 C ATOM 135 OD1 ASP A 10 7.201 13.504 -18.149 1.00 30.21 O ATOM 136 OD2 ASP A 10 7.021 14.200 -20.227 1.00 23.45 O ATOM 0 H ASP A 10 2.893 15.836 -18.501 1.00 53.22 H new ATOM 0 HA ASP A 10 5.344 15.240 -16.923 1.00 14.33 H new ATOM 0 HB2 ASP A 10 4.569 13.432 -18.469 1.00 13.04 H new ATOM 0 HB3 ASP A 10 4.604 14.567 -19.804 1.00 13.04 H new ATOM 141 N ASP A 11 4.652 17.681 -18.836 1.00 31.23 N ATOM 142 CA ASP A 11 5.096 18.914 -19.476 1.00 35.51 C ATOM 143 C ASP A 11 4.975 20.115 -18.541 1.00 71.44 C ATOM 144 O ASP A 11 4.348 20.036 -17.484 1.00 54.05 O ATOM 145 CB ASP A 11 4.284 19.157 -20.752 1.00 61.34 C ATOM 146 CG ASP A 11 2.785 19.049 -20.523 1.00 53.53 C ATOM 147 OD1 ASP A 11 2.291 17.913 -20.336 1.00 3.52 O ATOM 148 OD2 ASP A 11 2.095 20.086 -20.546 1.00 42.35 O ATOM 0 H ASP A 11 3.639 17.600 -18.747 1.00 31.23 H new ATOM 0 HA ASP A 11 6.150 18.799 -19.728 1.00 35.51 H new ATOM 0 HB2 ASP A 11 4.517 20.147 -21.143 1.00 61.34 H new ATOM 0 HB3 ASP A 11 4.584 18.435 -21.512 1.00 61.34 H new ATOM 153 N ASP A 12 5.588 21.225 -18.950 1.00 65.11 N ATOM 154 CA ASP A 12 5.593 22.459 -18.163 1.00 24.13 C ATOM 155 C ASP A 12 4.591 23.471 -18.718 1.00 30.20 C ATOM 156 O ASP A 12 4.303 23.485 -19.918 1.00 73.51 O ATOM 157 CB ASP A 12 7.002 23.066 -18.141 1.00 60.44 C ATOM 158 CG ASP A 12 7.004 24.540 -17.773 1.00 73.13 C ATOM 159 OD1 ASP A 12 6.554 24.890 -16.658 1.00 30.44 O ATOM 160 OD2 ASP A 12 7.434 25.354 -18.613 1.00 41.33 O ATOM 0 H ASP A 12 6.094 21.295 -19.833 1.00 65.11 H new ATOM 0 HA ASP A 12 5.295 22.212 -17.144 1.00 24.13 H new ATOM 0 HB2 ASP A 12 7.617 22.518 -17.428 1.00 60.44 H new ATOM 0 HB3 ASP A 12 7.462 22.941 -19.121 1.00 60.44 H new ATOM 165 N ASN A 13 4.078 24.323 -17.840 1.00 24.34 N ATOM 166 CA ASN A 13 3.058 25.298 -18.206 1.00 3.22 C ATOM 167 C ASN A 13 3.655 26.698 -18.362 1.00 11.43 C ATOM 168 O ASN A 13 3.106 27.541 -19.074 1.00 23.33 O ATOM 169 CB ASN A 13 1.958 25.318 -17.137 1.00 25.12 C ATOM 170 CG ASN A 13 0.825 26.276 -17.462 1.00 32.43 C ATOM 171 OD1 ASN A 13 -0.134 25.911 -18.143 1.00 55.12 O ATOM 172 ND2 ASN A 13 0.909 27.501 -16.965 1.00 12.21 N ATOM 0 H ASN A 13 4.355 24.358 -16.859 1.00 24.34 H new ATOM 0 HA ASN A 13 2.635 25.004 -19.166 1.00 3.22 H new ATOM 0 HB2 ASN A 13 1.553 24.312 -17.023 1.00 25.12 H new ATOM 0 HB3 ASN A 13 2.397 25.596 -16.179 1.00 25.12 H new ATOM 0 HD21 ASN A 13 0.165 28.175 -17.142 1.00 12.21 H new ATOM 0 HD22 ASN A 13 1.718 27.770 -16.405 1.00 12.21 H new ATOM 179 N GLY A 14 4.788 26.939 -17.712 1.00 51.13 N ATOM 180 CA GLY A 14 5.345 28.278 -17.676 1.00 21.14 C ATOM 181 C GLY A 14 6.785 28.330 -18.117 1.00 35.24 C ATOM 182 O GLY A 14 7.090 28.640 -19.270 1.00 24.13 O ATOM 0 H GLY A 14 5.329 26.234 -17.211 1.00 51.13 H new ATOM 0 HA2 GLY A 14 4.751 28.930 -18.317 1.00 21.14 H new ATOM 0 HA3 GLY A 14 5.267 28.671 -16.662 1.00 21.14 H new ATOM 186 N ALA A 15 7.660 28.041 -17.187 1.00 10.03 N ATOM 187 CA ALA A 15 9.090 28.042 -17.442 1.00 40.42 C ATOM 188 C ALA A 15 9.752 26.892 -16.697 1.00 10.11 C ATOM 189 O ALA A 15 9.290 26.494 -15.630 1.00 53.33 O ATOM 190 CB ALA A 15 9.705 29.371 -17.029 1.00 42.14 C ATOM 0 H ALA A 15 7.407 27.797 -16.229 1.00 10.03 H new ATOM 0 HA ALA A 15 9.256 27.908 -18.511 1.00 40.42 H new ATOM 0 HB1 ALA A 15 10.777 29.353 -17.227 1.00 42.14 H new ATOM 0 HB2 ALA A 15 9.244 30.178 -17.598 1.00 42.14 H new ATOM 0 HB3 ALA A 15 9.536 29.535 -15.965 1.00 42.14 H new ATOM 196 N PHE A 16 10.828 26.370 -17.253 1.00 2.14 N ATOM 197 CA PHE A 16 11.515 25.223 -16.674 1.00 60.34 C ATOM 198 C PHE A 16 12.954 25.578 -16.313 1.00 23.33 C ATOM 199 O PHE A 16 13.593 26.378 -16.994 1.00 2.33 O ATOM 200 CB PHE A 16 11.489 24.050 -17.660 1.00 41.43 C ATOM 201 CG PHE A 16 11.550 24.488 -19.096 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.721 24.998 -19.627 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.427 24.412 -19.906 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.773 25.418 -20.936 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.476 24.829 -21.220 1.00 23.23 C ATOM 206 CZ PHE A 16 11.650 25.338 -21.736 1.00 4.31 C ATOM 0 H PHE A 16 11.251 26.723 -18.112 1.00 2.14 H new ATOM 0 HA PHE A 16 10.998 24.933 -15.759 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.330 23.389 -17.452 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.580 23.469 -17.501 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.603 25.067 -19.008 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.504 24.022 -19.504 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.694 25.811 -21.339 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.597 24.757 -21.844 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.691 25.673 -22.762 1.00 4.31 H new ATOM 216 N PHE A 17 13.446 24.993 -15.235 1.00 3.34 N ATOM 217 CA PHE A 17 14.819 25.208 -14.795 1.00 51.42 C ATOM 218 C PHE A 17 15.580 23.891 -14.777 1.00 72.30 C ATOM 219 O PHE A 17 14.980 22.818 -14.682 1.00 3.33 O ATOM 220 CB PHE A 17 14.847 25.819 -13.388 1.00 31.34 C ATOM 221 CG PHE A 17 14.821 27.321 -13.342 1.00 30.40 C ATOM 222 CD1 PHE A 17 13.906 28.049 -14.084 1.00 64.43 C ATOM 223 CD2 PHE A 17 15.720 28.005 -12.541 1.00 72.20 C ATOM 224 CE1 PHE A 17 13.891 29.429 -14.028 1.00 12.45 C ATOM 225 CE2 PHE A 17 15.708 29.384 -12.481 1.00 73.11 C ATOM 226 CZ PHE A 17 14.793 30.099 -13.226 1.00 52.41 C ATOM 0 H PHE A 17 12.911 24.359 -14.641 1.00 3.34 H new ATOM 0 HA PHE A 17 15.292 25.896 -15.496 1.00 51.42 H new ATOM 0 HB2 PHE A 17 13.993 25.439 -12.827 1.00 31.34 H new ATOM 0 HB3 PHE A 17 15.744 25.471 -12.876 1.00 31.34 H new ATOM 0 HD1 PHE A 17 13.197 27.532 -14.713 1.00 64.43 H new ATOM 0 HD2 PHE A 17 16.440 27.452 -11.956 1.00 72.20 H new ATOM 0 HE1 PHE A 17 13.173 29.985 -14.612 1.00 12.45 H new ATOM 0 HE2 PHE A 17 16.415 29.903 -11.851 1.00 73.11 H new ATOM 0 HZ PHE A 17 14.782 31.178 -13.182 1.00 52.41 H new ATOM 236 N VAL A 18 16.897 23.971 -14.862 1.00 4.01 N ATOM 237 CA VAL A 18 17.736 22.791 -14.734 1.00 72.22 C ATOM 238 C VAL A 18 18.092 22.582 -13.269 1.00 33.02 C ATOM 239 O VAL A 18 18.954 23.279 -12.718 1.00 72.11 O ATOM 240 CB VAL A 18 19.025 22.902 -15.571 1.00 32.12 C ATOM 241 CG1 VAL A 18 19.896 21.664 -15.400 1.00 55.43 C ATOM 242 CG2 VAL A 18 18.696 23.126 -17.038 1.00 12.33 C ATOM 0 H VAL A 18 17.408 24.840 -15.019 1.00 4.01 H new ATOM 0 HA VAL A 18 17.173 21.938 -15.112 1.00 72.22 H new ATOM 0 HB VAL A 18 19.587 23.763 -15.209 1.00 32.12 H new ATOM 0 HG11 VAL A 18 20.799 21.769 -16.001 1.00 55.43 H new ATOM 0 HG12 VAL A 18 20.170 21.554 -14.351 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.343 20.783 -15.725 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.620 23.202 -17.611 1.00 12.33 H new ATOM 0 HG22 VAL A 18 18.106 22.289 -17.410 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.126 24.049 -17.146 1.00 12.33 H new ATOM 252 N LEU A 19 17.410 21.640 -12.640 1.00 51.11 N ATOM 253 CA LEU A 19 17.546 21.424 -11.215 1.00 23.23 C ATOM 254 C LEU A 19 18.266 20.108 -10.938 1.00 33.24 C ATOM 255 O LEU A 19 18.039 19.105 -11.618 1.00 54.22 O ATOM 256 CB LEU A 19 16.160 21.413 -10.558 1.00 53.14 C ATOM 257 CG LEU A 19 16.142 21.753 -9.071 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.549 23.202 -8.858 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.767 21.489 -8.482 1.00 25.42 C ATOM 0 H LEU A 19 16.753 21.010 -13.100 1.00 51.11 H new ATOM 0 HA LEU A 19 18.138 22.236 -10.793 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.521 22.122 -11.084 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.719 20.425 -10.694 1.00 53.14 H new ATOM 0 HG LEU A 19 16.861 21.114 -8.558 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.532 23.432 -7.793 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.555 23.358 -9.247 1.00 73.41 H new ATOM 0 HD13 LEU A 19 15.852 23.856 -9.381 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.772 21.737 -7.421 1.00 25.42 H new ATOM 0 HD22 LEU A 19 14.027 22.104 -8.995 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.513 20.436 -8.607 1.00 25.42 H new ATOM 271 N VAL A 20 19.155 20.132 -9.964 1.00 54.31 N ATOM 272 CA VAL A 20 19.821 18.924 -9.504 1.00 1.04 C ATOM 273 C VAL A 20 19.299 18.547 -8.125 1.00 52.45 C ATOM 274 O VAL A 20 19.058 19.417 -7.285 1.00 22.12 O ATOM 275 CB VAL A 20 21.356 19.097 -9.453 1.00 31.22 C ATOM 276 CG1 VAL A 20 22.040 17.868 -8.871 1.00 65.21 C ATOM 277 CG2 VAL A 20 21.900 19.383 -10.839 1.00 44.44 C ATOM 0 H VAL A 20 19.436 20.980 -9.472 1.00 54.31 H new ATOM 0 HA VAL A 20 19.601 18.129 -10.216 1.00 1.04 H new ATOM 0 HB VAL A 20 21.570 19.943 -8.799 1.00 31.22 H new ATOM 0 HG11 VAL A 20 23.118 18.027 -8.851 1.00 65.21 H new ATOM 0 HG12 VAL A 20 21.680 17.697 -7.857 1.00 65.21 H new ATOM 0 HG13 VAL A 20 21.813 16.999 -9.488 1.00 65.21 H new ATOM 0 HG21 VAL A 20 22.982 19.503 -10.788 1.00 44.44 H new ATOM 0 HG22 VAL A 20 21.658 18.553 -11.503 1.00 44.44 H new ATOM 0 HG23 VAL A 20 21.452 20.299 -11.224 1.00 44.44 H new ATOM 287 N ASN A 21 19.114 17.256 -7.906 1.00 13.51 N ATOM 288 CA ASN A 21 18.578 16.759 -6.646 1.00 61.42 C ATOM 289 C ASN A 21 19.697 16.161 -5.796 1.00 15.32 C ATOM 290 O ASN A 21 20.756 15.808 -6.317 1.00 60.15 O ATOM 291 CB ASN A 21 17.483 15.712 -6.913 1.00 40.23 C ATOM 292 CG ASN A 21 16.929 15.089 -5.641 1.00 14.14 C ATOM 293 OD1 ASN A 21 17.424 14.065 -5.174 1.00 1.33 O ATOM 294 ND2 ASN A 21 15.905 15.704 -5.067 1.00 30.15 N ATOM 0 H ASN A 21 19.328 16.528 -8.588 1.00 13.51 H new ATOM 0 HA ASN A 21 18.136 17.591 -6.098 1.00 61.42 H new ATOM 0 HB2 ASN A 21 16.668 16.180 -7.466 1.00 40.23 H new ATOM 0 HB3 ASN A 21 17.889 14.925 -7.549 1.00 40.23 H new ATOM 0 HD21 ASN A 21 15.501 15.329 -4.208 1.00 30.15 H new ATOM 0 HD22 ASN A 21 15.521 16.552 -5.484 1.00 30.15 H new ATOM 301 N ASP A 22 19.452 16.057 -4.492 1.00 31.34 N ATOM 302 CA ASP A 22 20.409 15.481 -3.550 1.00 71.21 C ATOM 303 C ASP A 22 20.944 14.129 -4.025 1.00 5.13 C ATOM 304 O ASP A 22 22.151 13.892 -3.990 1.00 75.41 O ATOM 305 CB ASP A 22 19.748 15.327 -2.176 1.00 63.32 C ATOM 306 CG ASP A 22 20.551 14.465 -1.219 1.00 13.22 C ATOM 307 OD1 ASP A 22 21.674 14.862 -0.839 1.00 22.11 O ATOM 308 OD2 ASP A 22 20.060 13.379 -0.841 1.00 4.44 O ATOM 0 H ASP A 22 18.584 16.370 -4.058 1.00 31.34 H new ATOM 0 HA ASP A 22 21.258 16.161 -3.482 1.00 71.21 H new ATOM 0 HB2 ASP A 22 19.607 16.314 -1.735 1.00 63.32 H new ATOM 0 HB3 ASP A 22 18.757 14.891 -2.304 1.00 63.32 H new ATOM 313 N GLU A 23 20.059 13.254 -4.491 1.00 75.54 N ATOM 314 CA GLU A 23 20.475 11.910 -4.884 1.00 32.45 C ATOM 315 C GLU A 23 20.317 11.661 -6.383 1.00 53.52 C ATOM 316 O GLU A 23 20.750 10.625 -6.888 1.00 4.33 O ATOM 317 CB GLU A 23 19.689 10.860 -4.102 1.00 55.34 C ATOM 318 CG GLU A 23 18.187 10.943 -4.316 1.00 3.05 C ATOM 319 CD GLU A 23 17.437 9.841 -3.604 1.00 72.14 C ATOM 320 OE1 GLU A 23 17.119 10.013 -2.409 1.00 42.25 O ATOM 321 OE2 GLU A 23 17.164 8.794 -4.235 1.00 41.22 O ATOM 0 H GLU A 23 19.064 13.445 -4.605 1.00 75.54 H new ATOM 0 HA GLU A 23 21.536 11.828 -4.649 1.00 32.45 H new ATOM 0 HB2 GLU A 23 20.035 9.868 -4.392 1.00 55.34 H new ATOM 0 HB3 GLU A 23 19.903 10.974 -3.039 1.00 55.34 H new ATOM 0 HG2 GLU A 23 17.826 11.909 -3.964 1.00 3.05 H new ATOM 0 HG3 GLU A 23 17.972 10.893 -5.383 1.00 3.05 H new ATOM 328 N ASP A 24 19.708 12.595 -7.103 1.00 13.53 N ATOM 329 CA ASP A 24 19.466 12.384 -8.528 1.00 20.35 C ATOM 330 C ASP A 24 20.330 13.315 -9.368 1.00 53.33 C ATOM 331 O ASP A 24 20.689 14.407 -8.928 1.00 63.23 O ATOM 332 CB ASP A 24 17.988 12.570 -8.874 1.00 43.45 C ATOM 333 CG ASP A 24 17.641 11.966 -10.224 1.00 72.21 C ATOM 334 OD1 ASP A 24 17.561 10.719 -10.315 1.00 52.14 O ATOM 335 OD2 ASP A 24 17.474 12.722 -11.201 1.00 61.12 O ATOM 0 H ASP A 24 19.378 13.488 -6.736 1.00 13.53 H new ATOM 0 HA ASP A 24 19.740 11.355 -8.760 1.00 20.35 H new ATOM 0 HB2 ASP A 24 17.374 12.108 -8.101 1.00 43.45 H new ATOM 0 HB3 ASP A 24 17.748 13.633 -8.880 1.00 43.45 H new ATOM 340 N GLN A 25 20.651 12.877 -10.576 1.00 74.12 N ATOM 341 CA GLN A 25 21.615 13.569 -11.418 1.00 5.14 C ATOM 342 C GLN A 25 21.057 14.872 -11.980 1.00 61.33 C ATOM 343 O GLN A 25 21.682 15.924 -11.862 1.00 2.43 O ATOM 344 CB GLN A 25 22.042 12.662 -12.569 1.00 50.45 C ATOM 345 CG GLN A 25 22.597 11.326 -12.111 1.00 62.10 C ATOM 346 CD GLN A 25 22.942 10.410 -13.268 1.00 4.10 C ATOM 347 OE1 GLN A 25 23.302 10.871 -14.352 1.00 73.34 O ATOM 348 NE2 GLN A 25 22.833 9.112 -13.046 1.00 42.45 N ATOM 0 H GLN A 25 20.254 12.038 -10.998 1.00 74.12 H new ATOM 0 HA GLN A 25 22.474 13.816 -10.794 1.00 5.14 H new ATOM 0 HB2 GLN A 25 21.186 12.487 -13.220 1.00 50.45 H new ATOM 0 HB3 GLN A 25 22.797 13.175 -13.165 1.00 50.45 H new ATOM 0 HG2 GLN A 25 23.489 11.495 -11.508 1.00 62.10 H new ATOM 0 HG3 GLN A 25 21.866 10.834 -11.469 1.00 62.10 H new ATOM 0 HE21 GLN A 25 22.531 8.775 -12.132 1.00 42.45 H new ATOM 0 HE22 GLN A 25 23.051 8.448 -13.789 1.00 42.45 H new ATOM 357 N HIS A 26 19.889 14.801 -12.605 1.00 20.14 N ATOM 358 CA HIS A 26 19.331 15.957 -13.295 1.00 44.33 C ATOM 359 C HIS A 26 17.820 15.848 -13.450 1.00 25.54 C ATOM 360 O HIS A 26 17.290 14.780 -13.743 1.00 2.13 O ATOM 361 CB HIS A 26 19.989 16.113 -14.677 1.00 1.43 C ATOM 362 CG HIS A 26 19.883 14.896 -15.559 1.00 15.33 C ATOM 363 ND1 HIS A 26 20.877 13.942 -15.651 1.00 25.13 N ATOM 364 CD2 HIS A 26 18.904 14.492 -16.408 1.00 31.34 C ATOM 365 CE1 HIS A 26 20.514 13.012 -16.516 1.00 13.51 C ATOM 366 NE2 HIS A 26 19.325 13.321 -16.989 1.00 71.22 N ATOM 0 H HIS A 26 19.312 13.961 -12.649 1.00 20.14 H new ATOM 0 HA HIS A 26 19.541 16.838 -12.688 1.00 44.33 H new ATOM 0 HB2 HIS A 26 19.532 16.959 -15.190 1.00 1.43 H new ATOM 0 HB3 HIS A 26 21.043 16.356 -14.539 1.00 1.43 H new ATOM 0 HD2 HIS A 26 17.968 14.998 -16.592 1.00 31.34 H new ATOM 0 HE1 HIS A 26 21.095 12.144 -16.789 1.00 13.51 H new ATOM 0 HE2 HIS A 26 18.801 12.779 -17.676 1.00 71.22 H new ATOM 375 N SER A 27 17.133 16.959 -13.247 1.00 70.05 N ATOM 376 CA SER A 27 15.697 17.023 -13.464 1.00 44.25 C ATOM 377 C SER A 27 15.297 18.412 -13.948 1.00 53.24 C ATOM 378 O SER A 27 15.730 19.421 -13.392 1.00 54.43 O ATOM 379 CB SER A 27 14.953 16.688 -12.169 1.00 40.02 C ATOM 380 OG SER A 27 15.317 15.407 -11.684 1.00 42.35 O ATOM 0 H SER A 27 17.549 17.835 -12.930 1.00 70.05 H new ATOM 0 HA SER A 27 15.428 16.293 -14.227 1.00 44.25 H new ATOM 0 HB2 SER A 27 15.175 17.442 -11.414 1.00 40.02 H new ATOM 0 HB3 SER A 27 13.878 16.721 -12.346 1.00 40.02 H new ATOM 0 HG SER A 27 14.828 15.220 -10.856 1.00 42.35 H new ATOM 386 N LEU A 28 14.493 18.467 -15.002 1.00 62.10 N ATOM 387 CA LEU A 28 13.954 19.734 -15.469 1.00 50.32 C ATOM 388 C LEU A 28 12.734 20.094 -14.638 1.00 31.11 C ATOM 389 O LEU A 28 11.699 19.432 -14.712 1.00 61.20 O ATOM 390 CB LEU A 28 13.604 19.676 -16.964 1.00 53.12 C ATOM 391 CG LEU A 28 14.779 19.907 -17.931 1.00 43.24 C ATOM 392 CD1 LEU A 28 15.360 21.300 -17.738 1.00 11.32 C ATOM 393 CD2 LEU A 28 15.863 18.852 -17.744 1.00 22.11 C ATOM 0 H LEU A 28 14.202 17.654 -15.545 1.00 62.10 H new ATOM 0 HA LEU A 28 14.713 20.507 -15.348 1.00 50.32 H new ATOM 0 HB2 LEU A 28 13.166 18.701 -17.179 1.00 53.12 H new ATOM 0 HB3 LEU A 28 12.836 20.422 -17.168 1.00 53.12 H new ATOM 0 HG LEU A 28 14.397 19.822 -18.948 1.00 43.24 H new ATOM 0 HD11 LEU A 28 16.190 21.447 -18.429 1.00 11.32 H new ATOM 0 HD12 LEU A 28 14.589 22.046 -17.932 1.00 11.32 H new ATOM 0 HD13 LEU A 28 15.718 21.406 -16.714 1.00 11.32 H new ATOM 0 HD21 LEU A 28 16.679 19.042 -18.441 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.240 18.895 -16.722 1.00 22.11 H new ATOM 0 HD23 LEU A 28 15.445 17.863 -17.935 1.00 22.11 H new ATOM 405 N TRP A 29 12.869 21.132 -13.837 1.00 50.34 N ATOM 406 CA TRP A 29 11.854 21.482 -12.866 1.00 20.41 C ATOM 407 C TRP A 29 11.105 22.733 -13.303 1.00 32.24 C ATOM 408 O TRP A 29 11.691 23.808 -13.425 1.00 74.10 O ATOM 409 CB TRP A 29 12.509 21.692 -11.497 1.00 43.11 C ATOM 410 CG TRP A 29 11.540 21.955 -10.383 1.00 62.11 C ATOM 411 CD1 TRP A 29 11.337 23.137 -9.731 1.00 23.24 C ATOM 412 CD2 TRP A 29 10.650 21.008 -9.780 1.00 74.32 C ATOM 413 NE1 TRP A 29 10.366 22.986 -8.771 1.00 60.32 N ATOM 414 CE2 TRP A 29 9.932 21.689 -8.779 1.00 25.15 C ATOM 415 CE3 TRP A 29 10.388 19.651 -9.994 1.00 12.00 C ATOM 416 CZ2 TRP A 29 8.971 21.058 -7.992 1.00 50.34 C ATOM 417 CZ3 TRP A 29 9.434 19.025 -9.210 1.00 73.52 C ATOM 418 CH2 TRP A 29 8.736 19.729 -8.220 1.00 70.13 C ATOM 0 H TRP A 29 13.679 21.752 -13.841 1.00 50.34 H new ATOM 0 HA TRP A 29 11.132 20.669 -12.793 1.00 20.41 H new ATOM 0 HB2 TRP A 29 13.098 20.809 -11.250 1.00 43.11 H new ATOM 0 HB3 TRP A 29 13.203 22.529 -11.564 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.863 24.057 -9.939 1.00 23.24 H new ATOM 0 HE1 TRP A 29 10.024 23.722 -8.153 1.00 60.32 H new ATOM 0 HE3 TRP A 29 10.920 19.102 -10.757 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 8.431 21.598 -7.229 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 9.224 17.977 -9.364 1.00 73.52 H new ATOM 0 HH2 TRP A 29 7.998 19.213 -7.625 1.00 70.13 H new ATOM 429 N PRO A 30 9.803 22.593 -13.567 1.00 72.53 N ATOM 430 CA PRO A 30 8.952 23.714 -13.950 1.00 63.44 C ATOM 431 C PRO A 30 8.712 24.674 -12.791 1.00 0.24 C ATOM 432 O PRO A 30 8.482 24.248 -11.659 1.00 73.54 O ATOM 433 CB PRO A 30 7.629 23.051 -14.362 1.00 4.34 C ATOM 434 CG PRO A 30 7.921 21.592 -14.467 1.00 3.34 C ATOM 435 CD PRO A 30 9.058 21.331 -13.526 1.00 51.14 C ATOM 0 HA PRO A 30 9.408 24.311 -14.740 1.00 63.44 H new ATOM 0 HB2 PRO A 30 6.850 23.242 -13.624 1.00 4.34 H new ATOM 0 HB3 PRO A 30 7.272 23.448 -15.312 1.00 4.34 H new ATOM 0 HG2 PRO A 30 7.047 20.999 -14.198 1.00 3.34 H new ATOM 0 HG3 PRO A 30 8.189 21.320 -15.488 1.00 3.34 H new ATOM 0 HD2 PRO A 30 8.707 21.100 -12.520 1.00 51.14 H new ATOM 0 HD3 PRO A 30 9.669 20.489 -13.852 1.00 51.14 H new ATOM 443 N VAL A 31 8.739 25.969 -13.086 1.00 5.34 N ATOM 444 CA VAL A 31 8.475 26.995 -12.078 1.00 31.12 C ATOM 445 C VAL A 31 6.995 27.008 -11.704 1.00 22.24 C ATOM 446 O VAL A 31 6.562 27.770 -10.842 1.00 72.24 O ATOM 447 CB VAL A 31 8.894 28.405 -12.557 1.00 4.33 C ATOM 448 CG1 VAL A 31 10.366 28.434 -12.941 1.00 70.22 C ATOM 449 CG2 VAL A 31 8.026 28.869 -13.718 1.00 74.32 C ATOM 0 H VAL A 31 8.941 26.336 -14.016 1.00 5.34 H new ATOM 0 HA VAL A 31 9.075 26.742 -11.204 1.00 31.12 H new ATOM 0 HB VAL A 31 8.745 29.096 -11.727 1.00 4.33 H new ATOM 0 HG11 VAL A 31 10.635 29.436 -13.274 1.00 70.22 H new ATOM 0 HG12 VAL A 31 10.973 28.164 -12.077 1.00 70.22 H new ATOM 0 HG13 VAL A 31 10.546 27.723 -13.747 1.00 70.22 H new ATOM 0 HG21 VAL A 31 8.343 29.863 -14.034 1.00 74.32 H new ATOM 0 HG22 VAL A 31 8.129 28.173 -14.550 1.00 74.32 H new ATOM 0 HG23 VAL A 31 6.983 28.904 -13.402 1.00 74.32 H new ATOM 459 N PHE A 32 6.228 26.154 -12.376 1.00 43.21 N ATOM 460 CA PHE A 32 4.817 25.971 -12.079 1.00 54.23 C ATOM 461 C PHE A 32 4.650 25.383 -10.676 1.00 21.23 C ATOM 462 O PHE A 32 3.625 25.581 -10.024 1.00 40.43 O ATOM 463 CB PHE A 32 4.185 25.051 -13.131 1.00 43.03 C ATOM 464 CG PHE A 32 2.717 24.795 -12.925 1.00 53.00 C ATOM 465 CD1 PHE A 32 1.783 25.788 -13.174 1.00 4.02 C ATOM 466 CD2 PHE A 32 2.274 23.558 -12.483 1.00 61.21 C ATOM 467 CE1 PHE A 32 0.434 25.555 -12.983 1.00 34.13 C ATOM 468 CE2 PHE A 32 0.928 23.320 -12.292 1.00 63.22 C ATOM 469 CZ PHE A 32 0.006 24.319 -12.541 1.00 44.13 C ATOM 0 H PHE A 32 6.570 25.572 -13.140 1.00 43.21 H new ATOM 0 HA PHE A 32 4.311 26.936 -12.109 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.330 25.492 -14.117 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.713 24.097 -13.127 1.00 43.03 H new ATOM 0 HD1 PHE A 32 2.113 26.756 -13.522 1.00 4.02 H new ATOM 0 HD2 PHE A 32 2.989 22.773 -12.286 1.00 61.21 H new ATOM 0 HE1 PHE A 32 -0.284 26.338 -13.179 1.00 34.13 H new ATOM 0 HE2 PHE A 32 0.595 22.352 -11.948 1.00 63.22 H new ATOM 0 HZ PHE A 32 -1.047 24.133 -12.390 1.00 44.13 H new ATOM 479 N ALA A 33 5.673 24.674 -10.218 1.00 62.53 N ATOM 480 CA ALA A 33 5.666 24.091 -8.885 1.00 73.21 C ATOM 481 C ALA A 33 6.685 24.800 -7.998 1.00 14.11 C ATOM 482 O ALA A 33 7.623 25.422 -8.499 1.00 13.22 O ATOM 483 CB ALA A 33 5.954 22.597 -8.954 1.00 74.20 C ATOM 0 H ALA A 33 6.521 24.489 -10.753 1.00 62.53 H new ATOM 0 HA ALA A 33 4.676 24.224 -8.448 1.00 73.21 H new ATOM 0 HB1 ALA A 33 5.945 22.178 -7.948 1.00 74.20 H new ATOM 0 HB2 ALA A 33 5.191 22.107 -9.558 1.00 74.20 H new ATOM 0 HB3 ALA A 33 6.933 22.436 -9.405 1.00 74.20 H new ATOM 489 N ASP A 34 6.499 24.712 -6.688 1.00 73.54 N ATOM 490 CA ASP A 34 7.370 25.409 -5.746 1.00 12.01 C ATOM 491 C ASP A 34 8.714 24.706 -5.615 1.00 25.54 C ATOM 492 O ASP A 34 8.798 23.476 -5.666 1.00 43.40 O ATOM 493 CB ASP A 34 6.711 25.530 -4.365 1.00 72.34 C ATOM 494 CG ASP A 34 6.576 24.204 -3.633 1.00 35.13 C ATOM 495 OD1 ASP A 34 5.592 23.476 -3.891 1.00 44.20 O ATOM 496 OD2 ASP A 34 7.429 23.902 -2.766 1.00 51.51 O ATOM 0 H ASP A 34 5.755 24.167 -6.252 1.00 73.54 H new ATOM 0 HA ASP A 34 7.537 26.411 -6.142 1.00 12.01 H new ATOM 0 HB2 ASP A 34 7.296 26.215 -3.752 1.00 72.34 H new ATOM 0 HB3 ASP A 34 5.722 25.973 -4.482 1.00 72.34 H new ATOM 501 N ILE A 35 9.770 25.498 -5.464 1.00 23.41 N ATOM 502 CA ILE A 35 11.106 24.960 -5.260 1.00 54.34 C ATOM 503 C ILE A 35 11.294 24.605 -3.787 1.00 65.45 C ATOM 504 O ILE A 35 11.258 25.478 -2.919 1.00 14.24 O ATOM 505 CB ILE A 35 12.200 25.955 -5.702 1.00 10.14 C ATOM 506 CG1 ILE A 35 11.989 26.355 -7.164 1.00 72.42 C ATOM 507 CG2 ILE A 35 13.582 25.346 -5.512 1.00 64.03 C ATOM 508 CD1 ILE A 35 13.036 27.314 -7.687 1.00 60.24 C ATOM 0 H ILE A 35 9.724 26.517 -5.479 1.00 23.41 H new ATOM 0 HA ILE A 35 11.205 24.066 -5.875 1.00 54.34 H new ATOM 0 HB ILE A 35 12.130 26.848 -5.081 1.00 10.14 H new ATOM 0 HG12 ILE A 35 11.990 25.457 -7.781 1.00 72.42 H new ATOM 0 HG13 ILE A 35 11.005 26.812 -7.268 1.00 72.42 H new ATOM 0 HG21 ILE A 35 14.341 26.061 -5.829 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.730 25.101 -4.460 1.00 64.03 H new ATOM 0 HG23 ILE A 35 13.665 24.439 -6.111 1.00 64.03 H new ATOM 0 HD11 ILE A 35 12.822 27.553 -8.729 1.00 60.24 H new ATOM 0 HD12 ILE A 35 13.020 28.229 -7.094 1.00 60.24 H new ATOM 0 HD13 ILE A 35 14.021 26.852 -7.615 1.00 60.24 H new ATOM 520 N PRO A 36 11.473 23.311 -3.492 1.00 20.01 N ATOM 521 CA PRO A 36 11.487 22.803 -2.120 1.00 12.02 C ATOM 522 C PRO A 36 12.852 22.937 -1.422 1.00 43.41 C ATOM 523 O PRO A 36 13.245 24.035 -1.031 1.00 52.44 O ATOM 524 CB PRO A 36 11.085 21.343 -2.326 1.00 34.45 C ATOM 525 CG PRO A 36 11.685 20.977 -3.644 1.00 42.11 C ATOM 526 CD PRO A 36 11.662 22.232 -4.481 1.00 44.21 C ATOM 0 HA PRO A 36 10.828 23.362 -1.456 1.00 12.02 H new ATOM 0 HB2 PRO A 36 11.466 20.709 -1.526 1.00 34.45 H new ATOM 0 HB3 PRO A 36 10.001 21.227 -2.336 1.00 34.45 H new ATOM 0 HG2 PRO A 36 12.704 20.611 -3.519 1.00 42.11 H new ATOM 0 HG3 PRO A 36 11.116 20.180 -4.122 1.00 42.11 H new ATOM 0 HD2 PRO A 36 12.590 22.358 -5.038 1.00 44.21 H new ATOM 0 HD3 PRO A 36 10.852 22.212 -5.211 1.00 44.21 H new ATOM 534 N ALA A 37 13.572 21.829 -1.269 1.00 32.34 N ATOM 535 CA ALA A 37 14.846 21.822 -0.561 1.00 62.32 C ATOM 536 C ALA A 37 15.758 20.745 -1.134 1.00 3.44 C ATOM 537 O ALA A 37 15.285 19.825 -1.805 1.00 34.45 O ATOM 538 CB ALA A 37 14.615 21.585 0.921 1.00 21.30 C ATOM 0 H ALA A 37 13.290 20.918 -1.630 1.00 32.34 H new ATOM 0 HA ALA A 37 15.328 22.791 -0.690 1.00 62.32 H new ATOM 0 HB1 ALA A 37 15.572 21.581 1.442 1.00 21.30 H new ATOM 0 HB2 ALA A 37 13.986 22.379 1.323 1.00 21.30 H new ATOM 0 HB3 ALA A 37 14.121 20.624 1.063 1.00 21.30 H new ATOM 544 N GLY A 38 17.054 20.854 -0.869 1.00 61.52 N ATOM 545 CA GLY A 38 18.010 19.918 -1.433 1.00 71.31 C ATOM 546 C GLY A 38 18.137 20.109 -2.927 1.00 52.02 C ATOM 547 O GLY A 38 18.410 19.166 -3.670 1.00 65.45 O ATOM 0 H GLY A 38 17.461 21.575 -0.273 1.00 61.52 H new ATOM 0 HA2 GLY A 38 18.983 20.057 -0.961 1.00 71.31 H new ATOM 0 HA3 GLY A 38 17.695 18.897 -1.219 1.00 71.31 H new ATOM 551 N TRP A 39 17.919 21.342 -3.356 1.00 1.04 N ATOM 552 CA TRP A 39 17.898 21.678 -4.766 1.00 71.10 C ATOM 553 C TRP A 39 19.157 22.428 -5.168 1.00 53.52 C ATOM 554 O TRP A 39 19.734 23.174 -4.370 1.00 43.22 O ATOM 555 CB TRP A 39 16.659 22.523 -5.086 1.00 61.05 C ATOM 556 CG TRP A 39 16.509 23.741 -4.216 1.00 75.23 C ATOM 557 CD1 TRP A 39 15.811 23.825 -3.048 1.00 40.04 C ATOM 558 CD2 TRP A 39 17.059 25.047 -4.446 1.00 15.24 C ATOM 559 NE1 TRP A 39 15.894 25.094 -2.534 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.653 25.865 -3.375 1.00 52.15 C ATOM 561 CE3 TRP A 39 17.855 25.606 -5.451 1.00 41.43 C ATOM 562 CZ2 TRP A 39 17.016 27.207 -3.281 1.00 4.21 C ATOM 563 CZ3 TRP A 39 18.213 26.936 -5.357 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.793 27.724 -4.278 1.00 62.42 C ATOM 0 H TRP A 39 17.752 22.135 -2.736 1.00 1.04 H new ATOM 0 HA TRP A 39 17.858 20.750 -5.336 1.00 71.10 H new ATOM 0 HB2 TRP A 39 16.705 22.837 -6.129 1.00 61.05 H new ATOM 0 HB3 TRP A 39 15.770 21.901 -4.980 1.00 61.05 H new ATOM 0 HD1 TRP A 39 15.270 23.009 -2.592 1.00 40.04 H new ATOM 0 HE1 TRP A 39 15.461 25.412 -1.667 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.184 25.007 -6.287 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 16.694 27.816 -2.449 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 18.827 27.376 -6.129 1.00 21.35 H new ATOM 0 HH2 TRP A 39 18.090 28.762 -4.234 1.00 62.42 H new ATOM 575 N ARG A 40 19.578 22.225 -6.402 1.00 15.10 N ATOM 576 CA ARG A 40 20.715 22.936 -6.948 1.00 61.03 C ATOM 577 C ARG A 40 20.384 23.417 -8.359 1.00 54.24 C ATOM 578 O ARG A 40 20.179 22.607 -9.262 1.00 13.25 O ATOM 579 CB ARG A 40 21.939 22.021 -6.966 1.00 5.24 C ATOM 580 CG ARG A 40 23.252 22.755 -7.158 1.00 52.34 C ATOM 581 CD ARG A 40 24.422 21.790 -7.238 1.00 31.33 C ATOM 582 NE ARG A 40 25.710 22.481 -7.247 1.00 23.32 N ATOM 583 CZ ARG A 40 26.525 22.526 -8.302 1.00 30.25 C ATOM 584 NH1 ARG A 40 26.169 21.943 -9.441 1.00 71.53 N ATOM 585 NH2 ARG A 40 27.685 23.170 -8.224 1.00 14.54 N ATOM 0 H ARG A 40 19.144 21.567 -7.049 1.00 15.10 H new ATOM 0 HA ARG A 40 20.940 23.801 -6.324 1.00 61.03 H new ATOM 0 HB2 ARG A 40 21.979 21.465 -6.029 1.00 5.24 H new ATOM 0 HB3 ARG A 40 21.822 21.290 -7.766 1.00 5.24 H new ATOM 0 HG2 ARG A 40 23.207 23.351 -8.070 1.00 52.34 H new ATOM 0 HG3 ARG A 40 23.407 23.449 -6.331 1.00 52.34 H new ATOM 0 HD2 ARG A 40 24.385 21.106 -6.390 1.00 31.33 H new ATOM 0 HD3 ARG A 40 24.330 21.185 -8.140 1.00 31.33 H new ATOM 0 HE ARG A 40 26.004 22.958 -6.394 1.00 23.32 H new ATOM 0 HH11 ARG A 40 25.273 21.461 -9.509 1.00 71.53 H new ATOM 0 HH12 ARG A 40 26.792 21.977 -10.248 1.00 71.53 H new ATOM 0 HH21 ARG A 40 27.955 23.632 -7.355 1.00 14.54 H new ATOM 0 HH22 ARG A 40 28.306 23.202 -9.033 1.00 14.54 H new ATOM 599 N VAL A 41 20.313 24.727 -8.540 1.00 40.24 N ATOM 600 CA VAL A 41 19.986 25.295 -9.844 1.00 71.24 C ATOM 601 C VAL A 41 21.247 25.455 -10.678 1.00 31.12 C ATOM 602 O VAL A 41 22.125 26.253 -10.346 1.00 65.41 O ATOM 603 CB VAL A 41 19.285 26.666 -9.723 1.00 61.45 C ATOM 604 CG1 VAL A 41 18.969 27.230 -11.101 1.00 25.00 C ATOM 605 CG2 VAL A 41 18.017 26.548 -8.895 1.00 14.32 C ATOM 0 H VAL A 41 20.476 25.416 -7.806 1.00 40.24 H new ATOM 0 HA VAL A 41 19.298 24.603 -10.329 1.00 71.24 H new ATOM 0 HB VAL A 41 19.964 27.352 -9.217 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.475 28.196 -10.994 1.00 25.00 H new ATOM 0 HG12 VAL A 41 19.894 27.355 -11.664 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.311 26.543 -11.633 1.00 25.00 H new ATOM 0 HG21 VAL A 41 17.538 27.524 -8.822 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.335 25.844 -9.372 1.00 14.32 H new ATOM 0 HG23 VAL A 41 18.267 26.190 -7.896 1.00 14.32 H new ATOM 615 N VAL A 42 21.339 24.684 -11.750 1.00 40.32 N ATOM 616 CA VAL A 42 22.493 24.742 -12.634 1.00 63.24 C ATOM 617 C VAL A 42 22.252 25.728 -13.770 1.00 50.15 C ATOM 618 O VAL A 42 23.169 26.413 -14.225 1.00 15.22 O ATOM 619 CB VAL A 42 22.816 23.351 -13.222 1.00 42.14 C ATOM 620 CG1 VAL A 42 24.030 23.409 -14.139 1.00 23.52 C ATOM 621 CG2 VAL A 42 23.044 22.349 -12.105 1.00 52.31 C ATOM 0 H VAL A 42 20.627 24.009 -12.030 1.00 40.32 H new ATOM 0 HA VAL A 42 23.343 25.078 -12.040 1.00 63.24 H new ATOM 0 HB VAL A 42 21.962 23.029 -13.817 1.00 42.14 H new ATOM 0 HG11 VAL A 42 24.233 22.415 -14.538 1.00 23.52 H new ATOM 0 HG12 VAL A 42 23.832 24.096 -14.961 1.00 23.52 H new ATOM 0 HG13 VAL A 42 24.895 23.757 -13.575 1.00 23.52 H new ATOM 0 HG21 VAL A 42 23.271 21.372 -12.533 1.00 52.31 H new ATOM 0 HG22 VAL A 42 23.880 22.677 -11.487 1.00 52.31 H new ATOM 0 HG23 VAL A 42 22.146 22.277 -11.492 1.00 52.31 H new ATOM 631 N HIS A 43 21.006 25.820 -14.206 1.00 32.14 N ATOM 632 CA HIS A 43 20.663 26.663 -15.341 1.00 42.41 C ATOM 633 C HIS A 43 19.215 27.130 -15.225 1.00 1.25 C ATOM 634 O HIS A 43 18.363 26.394 -14.728 1.00 24.14 O ATOM 635 CB HIS A 43 20.871 25.881 -16.641 1.00 4.00 C ATOM 636 CG HIS A 43 20.949 26.736 -17.864 1.00 10.14 C ATOM 637 ND1 HIS A 43 19.846 27.110 -18.599 1.00 72.12 N ATOM 638 CD2 HIS A 43 22.019 27.284 -18.486 1.00 61.44 C ATOM 639 CE1 HIS A 43 20.238 27.850 -19.621 1.00 25.41 C ATOM 640 NE2 HIS A 43 21.548 27.971 -19.574 1.00 3.32 N ATOM 0 H HIS A 43 20.217 25.323 -13.793 1.00 32.14 H new ATOM 0 HA HIS A 43 21.309 27.541 -15.349 1.00 42.41 H new ATOM 0 HB2 HIS A 43 21.789 25.299 -16.559 1.00 4.00 H new ATOM 0 HB3 HIS A 43 20.053 25.171 -16.759 1.00 4.00 H new ATOM 0 HD1 HIS A 43 18.881 26.856 -18.388 1.00 72.12 H new ATOM 0 HD2 HIS A 43 23.051 27.196 -18.182 1.00 61.44 H new ATOM 0 HE1 HIS A 43 19.592 28.283 -20.370 1.00 25.41 H new ATOM 649 N GLY A 44 18.947 28.348 -15.679 1.00 64.42 N ATOM 650 CA GLY A 44 17.601 28.887 -15.615 1.00 40.31 C ATOM 651 C GLY A 44 16.755 28.484 -16.806 1.00 11.43 C ATOM 652 O GLY A 44 16.997 27.441 -17.423 1.00 14.32 O ATOM 0 H GLY A 44 19.639 28.974 -16.091 1.00 64.42 H new ATOM 0 HA2 GLY A 44 17.119 28.544 -14.699 1.00 40.31 H new ATOM 0 HA3 GLY A 44 17.651 29.974 -15.561 1.00 40.31 H new ATOM 656 N GLU A 45 15.791 29.326 -17.156 1.00 41.53 N ATOM 657 CA GLU A 45 14.826 28.978 -18.188 1.00 24.13 C ATOM 658 C GLU A 45 15.311 29.382 -19.564 1.00 75.21 C ATOM 659 O GLU A 45 15.221 30.531 -19.993 1.00 73.32 O ATOM 660 CB GLU A 45 13.433 29.549 -17.900 1.00 41.13 C ATOM 661 CG GLU A 45 13.444 30.814 -17.074 1.00 22.15 C ATOM 662 CD GLU A 45 13.927 32.032 -17.830 1.00 40.03 C ATOM 663 OE1 GLU A 45 13.152 32.580 -18.639 1.00 61.15 O ATOM 664 OE2 GLU A 45 15.080 32.458 -17.608 1.00 54.25 O ATOM 0 H GLU A 45 15.658 30.249 -16.743 1.00 41.53 H new ATOM 0 HA GLU A 45 14.734 27.892 -18.173 1.00 24.13 H new ATOM 0 HB2 GLU A 45 12.932 29.750 -18.847 1.00 41.13 H new ATOM 0 HB3 GLU A 45 12.843 28.794 -17.381 1.00 41.13 H new ATOM 0 HG2 GLU A 45 12.437 31.004 -16.703 1.00 22.15 H new ATOM 0 HG3 GLU A 45 14.081 30.662 -16.203 1.00 22.15 H new ATOM 671 N ALA A 46 15.851 28.397 -20.218 1.00 42.34 N ATOM 672 CA ALA A 46 16.280 28.495 -21.602 1.00 4.43 C ATOM 673 C ALA A 46 15.818 27.252 -22.333 1.00 3.13 C ATOM 674 O ALA A 46 15.420 26.290 -21.680 1.00 72.05 O ATOM 675 CB ALA A 46 17.787 28.658 -21.707 1.00 74.23 C ATOM 0 H ALA A 46 16.014 27.479 -19.805 1.00 42.34 H new ATOM 0 HA ALA A 46 15.836 29.381 -22.057 1.00 4.43 H new ATOM 0 HB1 ALA A 46 18.073 28.728 -22.756 1.00 74.23 H new ATOM 0 HB2 ALA A 46 18.092 29.566 -21.186 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.279 27.797 -21.254 1.00 74.23 H new ATOM 681 N SER A 47 15.871 27.287 -23.666 1.00 52.43 N ATOM 682 CA SER A 47 15.336 26.220 -24.523 1.00 21.43 C ATOM 683 C SER A 47 15.425 24.829 -23.879 1.00 15.04 C ATOM 684 O SER A 47 16.496 24.390 -23.446 1.00 74.34 O ATOM 685 CB SER A 47 16.089 26.233 -25.850 1.00 75.44 C ATOM 686 OG SER A 47 16.123 27.544 -26.386 1.00 33.40 O ATOM 0 H SER A 47 16.288 28.059 -24.187 1.00 52.43 H new ATOM 0 HA SER A 47 14.275 26.418 -24.677 1.00 21.43 H new ATOM 0 HB2 SER A 47 17.105 25.867 -25.702 1.00 75.44 H new ATOM 0 HB3 SER A 47 15.606 25.557 -26.556 1.00 75.44 H new ATOM 0 HG SER A 47 16.611 27.537 -27.236 1.00 33.40 H new ATOM 692 N ARG A 48 14.292 24.137 -23.852 1.00 24.40 N ATOM 693 CA ARG A 48 14.168 22.860 -23.158 1.00 63.42 C ATOM 694 C ARG A 48 15.072 21.808 -23.797 1.00 12.32 C ATOM 695 O ARG A 48 15.674 20.988 -23.102 1.00 12.12 O ATOM 696 CB ARG A 48 12.699 22.415 -23.170 1.00 31.24 C ATOM 697 CG ARG A 48 12.393 21.168 -22.349 1.00 63.13 C ATOM 698 CD ARG A 48 12.495 19.897 -23.177 1.00 15.30 C ATOM 699 NE ARG A 48 11.565 19.897 -24.306 1.00 30.40 N ATOM 700 CZ ARG A 48 11.114 18.792 -24.900 1.00 64.14 C ATOM 701 NH1 ARG A 48 11.449 17.595 -24.431 1.00 2.12 N ATOM 702 NH2 ARG A 48 10.297 18.893 -25.942 1.00 42.11 N ATOM 0 H ARG A 48 13.434 24.445 -24.310 1.00 24.40 H new ATOM 0 HA ARG A 48 14.489 22.979 -22.123 1.00 63.42 H new ATOM 0 HB2 ARG A 48 12.084 23.235 -22.799 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.399 22.234 -24.202 1.00 31.24 H new ATOM 0 HG2 ARG A 48 13.085 21.109 -21.509 1.00 63.13 H new ATOM 0 HG3 ARG A 48 11.390 21.248 -21.930 1.00 63.13 H new ATOM 0 HD2 ARG A 48 13.514 19.788 -23.548 1.00 15.30 H new ATOM 0 HD3 ARG A 48 12.293 19.034 -22.542 1.00 15.30 H new ATOM 0 HE ARG A 48 11.242 20.797 -24.660 1.00 30.40 H new ATOM 0 HH11 ARG A 48 12.054 17.519 -23.613 1.00 2.12 H new ATOM 0 HH12 ARG A 48 11.101 16.752 -24.889 1.00 2.12 H new ATOM 0 HH21 ARG A 48 10.018 19.813 -26.284 1.00 42.11 H new ATOM 0 HH22 ARG A 48 9.949 18.051 -26.401 1.00 42.11 H new ATOM 716 N ALA A 49 15.183 21.857 -25.119 1.00 71.21 N ATOM 717 CA ALA A 49 16.038 20.932 -25.850 1.00 23.33 C ATOM 718 C ALA A 49 17.504 21.152 -25.484 1.00 12.42 C ATOM 719 O ALA A 49 18.280 20.201 -25.382 1.00 4.23 O ATOM 720 CB ALA A 49 15.832 21.087 -27.350 1.00 24.31 C ATOM 0 H ALA A 49 14.690 22.529 -25.707 1.00 71.21 H new ATOM 0 HA ALA A 49 15.764 19.915 -25.569 1.00 23.33 H new ATOM 0 HB1 ALA A 49 16.479 20.388 -27.880 1.00 24.31 H new ATOM 0 HB2 ALA A 49 14.791 20.878 -27.598 1.00 24.31 H new ATOM 0 HB3 ALA A 49 16.078 22.106 -27.648 1.00 24.31 H new ATOM 726 N ALA A 50 17.868 22.412 -25.267 1.00 1.42 N ATOM 727 CA ALA A 50 19.230 22.758 -24.887 1.00 72.11 C ATOM 728 C ALA A 50 19.529 22.287 -23.470 1.00 72.52 C ATOM 729 O ALA A 50 20.608 21.767 -23.195 1.00 11.34 O ATOM 730 CB ALA A 50 19.448 24.258 -25.005 1.00 20.13 C ATOM 0 H ALA A 50 17.237 23.209 -25.348 1.00 1.42 H new ATOM 0 HA ALA A 50 19.915 22.252 -25.568 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.471 24.501 -24.717 1.00 20.13 H new ATOM 0 HB2 ALA A 50 19.277 24.571 -26.035 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.753 24.780 -24.347 1.00 20.13 H new ATOM 736 N CYS A 51 18.562 22.468 -22.578 1.00 34.11 N ATOM 737 CA CYS A 51 18.697 22.019 -21.197 1.00 53.12 C ATOM 738 C CYS A 51 18.849 20.499 -21.129 1.00 24.13 C ATOM 739 O CYS A 51 19.779 19.984 -20.495 1.00 22.31 O ATOM 740 CB CYS A 51 17.487 22.473 -20.383 1.00 2.53 C ATOM 741 SG CYS A 51 17.298 24.270 -20.291 1.00 11.35 S ATOM 0 H CYS A 51 17.674 22.924 -22.787 1.00 34.11 H new ATOM 0 HA CYS A 51 19.597 22.465 -20.774 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.585 22.045 -20.821 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.571 22.074 -19.372 1.00 2.53 H new ATOM 0 HG CYS A 51 16.485 24.669 -21.224 1.00 11.35 H new ATOM 747 N LEU A 52 17.936 19.789 -21.794 1.00 14.24 N ATOM 748 CA LEU A 52 18.003 18.331 -21.881 1.00 14.11 C ATOM 749 C LEU A 52 19.346 17.873 -22.427 1.00 14.41 C ATOM 750 O LEU A 52 19.994 17.007 -21.850 1.00 13.15 O ATOM 751 CB LEU A 52 16.886 17.785 -22.772 1.00 54.05 C ATOM 752 CG LEU A 52 15.643 17.281 -22.035 1.00 21.41 C ATOM 753 CD1 LEU A 52 14.986 18.397 -21.243 1.00 71.20 C ATOM 754 CD2 LEU A 52 14.659 16.675 -23.020 1.00 63.03 C ATOM 0 H LEU A 52 17.140 20.202 -22.281 1.00 14.24 H new ATOM 0 HA LEU A 52 17.880 17.943 -20.870 1.00 14.11 H new ATOM 0 HB2 LEU A 52 16.583 18.569 -23.466 1.00 54.05 H new ATOM 0 HB3 LEU A 52 17.289 16.968 -23.370 1.00 54.05 H new ATOM 0 HG LEU A 52 15.954 16.510 -21.330 1.00 21.41 H new ATOM 0 HD11 LEU A 52 14.106 18.010 -20.730 1.00 71.20 H new ATOM 0 HD12 LEU A 52 15.692 18.787 -20.509 1.00 71.20 H new ATOM 0 HD13 LEU A 52 14.688 19.197 -21.920 1.00 71.20 H new ATOM 0 HD21 LEU A 52 13.779 16.320 -22.483 1.00 63.03 H new ATOM 0 HD22 LEU A 52 14.361 17.430 -23.747 1.00 63.03 H new ATOM 0 HD23 LEU A 52 15.130 15.839 -23.537 1.00 63.03 H new ATOM 766 N ASP A 53 19.764 18.464 -23.533 1.00 61.53 N ATOM 767 CA ASP A 53 21.022 18.085 -24.161 1.00 54.43 C ATOM 768 C ASP A 53 22.193 18.335 -23.214 1.00 63.52 C ATOM 769 O ASP A 53 23.100 17.505 -23.085 1.00 62.44 O ATOM 770 CB ASP A 53 21.219 18.865 -25.458 1.00 40.30 C ATOM 771 CG ASP A 53 22.386 18.343 -26.260 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.223 17.319 -26.950 1.00 1.13 O ATOM 773 OD2 ASP A 53 23.479 18.947 -26.198 1.00 63.05 O ATOM 0 H ASP A 53 19.255 19.205 -24.014 1.00 61.53 H new ATOM 0 HA ASP A 53 20.985 17.020 -24.391 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.311 18.806 -26.058 1.00 40.30 H new ATOM 0 HB3 ASP A 53 21.380 19.918 -25.227 1.00 40.30 H new ATOM 778 N TYR A 54 22.142 19.474 -22.532 1.00 62.01 N ATOM 779 CA TYR A 54 23.177 19.856 -21.583 1.00 33.33 C ATOM 780 C TYR A 54 23.311 18.808 -20.481 1.00 54.33 C ATOM 781 O TYR A 54 24.420 18.401 -20.139 1.00 52.04 O ATOM 782 CB TYR A 54 22.858 21.228 -20.977 1.00 21.41 C ATOM 783 CG TYR A 54 23.921 21.760 -20.042 1.00 53.34 C ATOM 784 CD1 TYR A 54 25.110 22.280 -20.537 1.00 31.52 C ATOM 785 CD2 TYR A 54 23.729 21.754 -18.665 1.00 62.33 C ATOM 786 CE1 TYR A 54 26.078 22.782 -19.689 1.00 53.11 C ATOM 787 CE2 TYR A 54 24.693 22.253 -17.810 1.00 32.53 C ATOM 788 CZ TYR A 54 25.865 22.764 -18.326 1.00 2.30 C ATOM 789 OH TYR A 54 26.827 23.267 -17.476 1.00 25.04 O ATOM 0 H TYR A 54 21.387 20.153 -22.622 1.00 62.01 H new ATOM 0 HA TYR A 54 24.127 19.918 -22.114 1.00 33.33 H new ATOM 0 HB2 TYR A 54 22.711 21.944 -21.786 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.915 21.162 -20.435 1.00 21.41 H new ATOM 0 HD1 TYR A 54 25.281 22.292 -21.603 1.00 31.52 H new ATOM 0 HD2 TYR A 54 22.813 21.353 -18.257 1.00 62.33 H new ATOM 0 HE1 TYR A 54 26.996 23.186 -20.090 1.00 53.11 H new ATOM 0 HE2 TYR A 54 24.529 22.243 -16.743 1.00 32.53 H new ATOM 0 HH TYR A 54 26.522 23.181 -16.549 1.00 25.04 H new ATOM 799 N VAL A 55 22.185 18.358 -19.932 1.00 13.21 N ATOM 800 CA VAL A 55 22.224 17.353 -18.874 1.00 73.54 C ATOM 801 C VAL A 55 22.588 15.970 -19.430 1.00 63.52 C ATOM 802 O VAL A 55 23.274 15.196 -18.762 1.00 1.14 O ATOM 803 CB VAL A 55 20.909 17.281 -18.058 1.00 74.32 C ATOM 804 CG1 VAL A 55 20.631 18.613 -17.382 1.00 11.35 C ATOM 805 CG2 VAL A 55 19.730 16.872 -18.923 1.00 3.21 C ATOM 0 H VAL A 55 21.250 18.667 -20.197 1.00 13.21 H new ATOM 0 HA VAL A 55 23.007 17.671 -18.186 1.00 73.54 H new ATOM 0 HB VAL A 55 21.039 16.514 -17.294 1.00 74.32 H new ATOM 0 HG11 VAL A 55 19.704 18.546 -16.813 1.00 11.35 H new ATOM 0 HG12 VAL A 55 21.453 18.858 -16.709 1.00 11.35 H new ATOM 0 HG13 VAL A 55 20.537 19.392 -18.138 1.00 11.35 H new ATOM 0 HG21 VAL A 55 18.827 16.833 -18.313 1.00 3.21 H new ATOM 0 HG22 VAL A 55 19.596 17.600 -19.723 1.00 3.21 H new ATOM 0 HG23 VAL A 55 19.919 15.889 -19.354 1.00 3.21 H new ATOM 815 N GLU A 56 22.143 15.671 -20.651 1.00 10.40 N ATOM 816 CA GLU A 56 22.447 14.387 -21.290 1.00 61.52 C ATOM 817 C GLU A 56 23.935 14.257 -21.617 1.00 34.54 C ATOM 818 O GLU A 56 24.464 13.155 -21.674 1.00 73.34 O ATOM 819 CB GLU A 56 21.628 14.193 -22.571 1.00 74.35 C ATOM 820 CG GLU A 56 20.141 13.983 -22.330 1.00 71.41 C ATOM 821 CD GLU A 56 19.403 13.576 -23.589 1.00 3.14 C ATOM 822 OE1 GLU A 56 19.178 14.440 -24.462 1.00 13.14 O ATOM 823 OE2 GLU A 56 19.046 12.385 -23.715 1.00 12.33 O ATOM 0 H GLU A 56 21.572 16.298 -21.218 1.00 10.40 H new ATOM 0 HA GLU A 56 22.177 13.611 -20.573 1.00 61.52 H new ATOM 0 HB2 GLU A 56 21.762 15.065 -23.211 1.00 74.35 H new ATOM 0 HB3 GLU A 56 22.022 13.335 -23.115 1.00 74.35 H new ATOM 0 HG2 GLU A 56 20.004 13.216 -21.568 1.00 71.41 H new ATOM 0 HG3 GLU A 56 19.706 14.902 -21.938 1.00 71.41 H new ATOM 830 N LYS A 57 24.600 15.373 -21.874 1.00 70.11 N ATOM 831 CA LYS A 57 26.028 15.333 -22.185 1.00 60.22 C ATOM 832 C LYS A 57 26.920 15.342 -20.937 1.00 10.13 C ATOM 833 O LYS A 57 28.107 15.031 -21.025 1.00 34.22 O ATOM 834 CB LYS A 57 26.411 16.503 -23.095 1.00 64.25 C ATOM 835 CG LYS A 57 26.003 16.302 -24.544 1.00 75.40 C ATOM 836 CD LYS A 57 26.467 17.456 -25.416 1.00 11.15 C ATOM 837 CE LYS A 57 26.303 17.142 -26.894 1.00 5.52 C ATOM 838 NZ LYS A 57 24.890 16.865 -27.256 1.00 33.13 N ATOM 0 H LYS A 57 24.186 16.305 -21.875 1.00 70.11 H new ATOM 0 HA LYS A 57 26.200 14.387 -22.698 1.00 60.22 H new ATOM 0 HB2 LYS A 57 25.946 17.414 -22.718 1.00 64.25 H new ATOM 0 HB3 LYS A 57 27.490 16.652 -23.047 1.00 64.25 H new ATOM 0 HG2 LYS A 57 26.426 15.369 -24.917 1.00 75.40 H new ATOM 0 HG3 LYS A 57 24.919 16.208 -24.609 1.00 75.40 H new ATOM 0 HD2 LYS A 57 25.897 18.352 -25.168 1.00 11.15 H new ATOM 0 HD3 LYS A 57 27.513 17.675 -25.204 1.00 11.15 H new ATOM 0 HE2 LYS A 57 26.670 17.982 -27.485 1.00 5.52 H new ATOM 0 HE3 LYS A 57 26.918 16.279 -27.151 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 24.845 16.509 -28.232 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 24.499 16.151 -26.609 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 24.334 17.741 -27.181 1.00 33.13 H new ATOM 852 N ASN A 58 26.369 15.682 -19.780 1.00 5.40 N ATOM 853 CA ASN A 58 27.211 15.966 -18.614 1.00 62.23 C ATOM 854 C ASN A 58 27.098 14.944 -17.477 1.00 64.30 C ATOM 855 O ASN A 58 27.553 15.214 -16.368 1.00 2.42 O ATOM 856 CB ASN A 58 26.954 17.377 -18.084 1.00 60.13 C ATOM 857 CG ASN A 58 27.698 18.434 -18.883 1.00 21.12 C ATOM 858 OD1 ASN A 58 28.872 18.705 -18.630 1.00 45.43 O ATOM 859 ND2 ASN A 58 27.024 19.041 -19.844 1.00 73.12 N ATOM 0 H ASN A 58 25.365 15.768 -19.619 1.00 5.40 H new ATOM 0 HA ASN A 58 28.234 15.888 -18.981 1.00 62.23 H new ATOM 0 HB2 ASN A 58 25.885 17.586 -18.115 1.00 60.13 H new ATOM 0 HB3 ASN A 58 27.259 17.432 -17.039 1.00 60.13 H new ATOM 0 HD21 ASN A 58 27.476 19.762 -20.407 1.00 73.12 H new ATOM 0 HD22 ASN A 58 26.052 18.788 -20.023 1.00 73.12 H new ATOM 866 N TRP A 59 26.525 13.769 -17.733 1.00 74.44 N ATOM 867 CA TRP A 59 26.473 12.723 -16.702 1.00 50.11 C ATOM 868 C TRP A 59 27.842 12.063 -16.507 1.00 20.21 C ATOM 869 O TRP A 59 27.978 11.097 -15.756 1.00 31.04 O ATOM 870 CB TRP A 59 25.422 11.656 -17.040 1.00 2.31 C ATOM 871 CG TRP A 59 25.590 11.029 -18.394 1.00 72.22 C ATOM 872 CD1 TRP A 59 24.930 11.381 -19.529 1.00 32.41 C ATOM 873 CD2 TRP A 59 26.452 9.938 -18.755 1.00 42.01 C ATOM 874 NE1 TRP A 59 25.336 10.595 -20.578 1.00 45.01 N ATOM 875 CE2 TRP A 59 26.267 9.700 -20.130 1.00 71.53 C ATOM 876 CE3 TRP A 59 27.364 9.145 -18.056 1.00 43.25 C ATOM 877 CZ2 TRP A 59 26.960 8.704 -20.816 1.00 24.34 C ATOM 878 CZ3 TRP A 59 28.050 8.156 -18.737 1.00 73.44 C ATOM 879 CH2 TRP A 59 27.845 7.943 -20.104 1.00 44.54 C ATOM 0 H TRP A 59 26.098 13.516 -18.624 1.00 74.44 H new ATOM 0 HA TRP A 59 26.186 13.209 -15.769 1.00 50.11 H new ATOM 0 HB2 TRP A 59 25.460 10.873 -16.283 1.00 2.31 H new ATOM 0 HB3 TRP A 59 24.432 12.107 -16.982 1.00 2.31 H new ATOM 0 HD1 TRP A 59 24.192 12.167 -19.596 1.00 32.41 H new ATOM 0 HE1 TRP A 59 24.998 10.667 -21.538 1.00 45.01 H new ATOM 0 HE3 TRP A 59 27.531 9.301 -17.001 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 26.804 8.539 -21.872 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 28.757 7.537 -18.204 1.00 73.44 H new ATOM 0 HH2 TRP A 59 28.396 7.162 -20.607 1.00 44.54 H new ATOM 890 N THR A 60 28.853 12.615 -17.170 1.00 25.34 N ATOM 891 CA THR A 60 30.202 12.060 -17.175 1.00 53.12 C ATOM 892 C THR A 60 30.759 11.863 -15.764 1.00 52.32 C ATOM 893 O THR A 60 31.497 10.912 -15.506 1.00 3.14 O ATOM 894 CB THR A 60 31.145 12.989 -17.961 1.00 72.14 C ATOM 895 OG1 THR A 60 30.452 13.527 -19.097 1.00 12.01 O ATOM 896 CG2 THR A 60 32.384 12.239 -18.427 1.00 24.55 C ATOM 0 H THR A 60 28.758 13.467 -17.723 1.00 25.34 H new ATOM 0 HA THR A 60 30.143 11.081 -17.650 1.00 53.12 H new ATOM 0 HB THR A 60 31.460 13.798 -17.302 1.00 72.14 H new ATOM 0 HG1 THR A 60 31.052 14.120 -19.596 1.00 12.01 H new ATOM 0 HG21 THR A 60 33.034 12.918 -18.980 1.00 24.55 H new ATOM 0 HG22 THR A 60 32.920 11.848 -17.562 1.00 24.55 H new ATOM 0 HG23 THR A 60 32.088 11.413 -19.074 1.00 24.55 H new ATOM 904 N ASP A 61 30.391 12.755 -14.851 1.00 33.13 N ATOM 905 CA ASP A 61 30.927 12.720 -13.492 1.00 24.12 C ATOM 906 C ASP A 61 30.189 11.718 -12.613 1.00 25.15 C ATOM 907 O ASP A 61 30.589 11.469 -11.475 1.00 35.34 O ATOM 908 CB ASP A 61 30.856 14.104 -12.845 1.00 2.25 C ATOM 909 CG ASP A 61 31.866 15.081 -13.414 1.00 11.43 C ATOM 910 OD1 ASP A 61 33.025 15.089 -12.944 1.00 4.15 O ATOM 911 OD2 ASP A 61 31.499 15.862 -14.317 1.00 12.31 O ATOM 0 H ASP A 61 29.726 13.509 -15.024 1.00 33.13 H new ATOM 0 HA ASP A 61 31.968 12.406 -13.573 1.00 24.12 H new ATOM 0 HB2 ASP A 61 29.853 14.509 -12.978 1.00 2.25 H new ATOM 0 HB3 ASP A 61 31.020 14.005 -11.772 1.00 2.25 H new ATOM 916 N LEU A 62 29.119 11.141 -13.133 1.00 21.55 N ATOM 917 CA LEU A 62 28.312 10.213 -12.355 1.00 3.00 C ATOM 918 C LEU A 62 28.841 8.787 -12.478 1.00 51.34 C ATOM 919 O LEU A 62 29.430 8.257 -11.533 1.00 51.51 O ATOM 920 CB LEU A 62 26.837 10.274 -12.775 1.00 71.54 C ATOM 921 CG LEU A 62 26.053 11.499 -12.280 1.00 32.22 C ATOM 922 CD1 LEU A 62 26.189 11.654 -10.772 1.00 31.24 C ATOM 923 CD2 LEU A 62 26.501 12.767 -12.992 1.00 22.21 C ATOM 0 H LEU A 62 28.789 11.297 -14.086 1.00 21.55 H new ATOM 0 HA LEU A 62 28.382 10.515 -11.310 1.00 3.00 H new ATOM 0 HB2 LEU A 62 26.787 10.249 -13.864 1.00 71.54 H new ATOM 0 HB3 LEU A 62 26.338 9.375 -12.413 1.00 71.54 H new ATOM 0 HG LEU A 62 25.001 11.337 -12.516 1.00 32.22 H new ATOM 0 HD11 LEU A 62 25.626 12.528 -10.444 1.00 31.24 H new ATOM 0 HD12 LEU A 62 25.799 10.764 -10.278 1.00 31.24 H new ATOM 0 HD13 LEU A 62 27.240 11.781 -10.513 1.00 31.24 H new ATOM 0 HD21 LEU A 62 25.927 13.616 -12.619 1.00 22.21 H new ATOM 0 HD22 LEU A 62 27.561 12.935 -12.803 1.00 22.21 H new ATOM 0 HD23 LEU A 62 26.336 12.660 -14.064 1.00 22.21 H new ATOM 935 N ARG A 63 28.646 8.174 -13.639 1.00 42.45 N ATOM 936 CA ARG A 63 29.101 6.808 -13.866 1.00 32.00 C ATOM 937 C ARG A 63 29.129 6.482 -15.353 1.00 0.32 C ATOM 938 O ARG A 63 28.114 6.586 -16.039 1.00 73.24 O ATOM 939 CB ARG A 63 28.200 5.812 -13.129 1.00 41.05 C ATOM 940 CG ARG A 63 28.569 4.360 -13.387 1.00 42.42 C ATOM 941 CD ARG A 63 27.797 3.408 -12.490 1.00 14.22 C ATOM 942 NE ARG A 63 26.350 3.523 -12.668 1.00 25.55 N ATOM 943 CZ ARG A 63 25.498 2.515 -12.495 1.00 25.12 C ATOM 944 NH1 ARG A 63 25.954 1.295 -12.229 1.00 1.23 N ATOM 945 NH2 ARG A 63 24.193 2.719 -12.606 1.00 53.21 N ATOM 0 H ARG A 63 28.176 8.601 -14.437 1.00 42.45 H new ATOM 0 HA ARG A 63 30.115 6.724 -13.475 1.00 32.00 H new ATOM 0 HB2 ARG A 63 28.254 6.008 -12.058 1.00 41.05 H new ATOM 0 HB3 ARG A 63 27.166 5.976 -13.432 1.00 41.05 H new ATOM 0 HG2 ARG A 63 28.371 4.116 -14.431 1.00 42.42 H new ATOM 0 HG3 ARG A 63 29.638 4.224 -13.225 1.00 42.42 H new ATOM 0 HD2 ARG A 63 28.106 2.384 -12.701 1.00 14.22 H new ATOM 0 HD3 ARG A 63 28.049 3.609 -11.449 1.00 14.22 H new ATOM 0 HE ARG A 63 25.971 4.430 -12.941 1.00 25.55 H new ATOM 0 HH11 ARG A 63 26.958 1.130 -12.157 1.00 1.23 H new ATOM 0 HH12 ARG A 63 25.300 0.524 -12.097 1.00 1.23 H new ATOM 0 HH21 ARG A 63 23.839 3.650 -12.825 1.00 53.21 H new ATOM 0 HH22 ARG A 63 23.543 1.945 -12.473 1.00 53.21 H new ATOM 959 N PRO A 64 30.305 6.093 -15.870 1.00 42.03 N ATOM 960 CA PRO A 64 30.473 5.700 -17.266 1.00 50.30 C ATOM 961 C PRO A 64 29.958 4.285 -17.529 1.00 15.45 C ATOM 962 O PRO A 64 29.580 3.571 -16.599 1.00 33.12 O ATOM 963 CB PRO A 64 31.997 5.759 -17.486 1.00 33.03 C ATOM 964 CG PRO A 64 32.582 6.282 -16.211 1.00 44.51 C ATOM 965 CD PRO A 64 31.571 6.007 -15.139 1.00 5.45 C ATOM 0 HA PRO A 64 29.910 6.348 -17.938 1.00 50.30 H new ATOM 0 HB2 PRO A 64 32.395 4.772 -17.721 1.00 33.03 H new ATOM 0 HB3 PRO A 64 32.245 6.410 -18.324 1.00 33.03 H new ATOM 0 HG2 PRO A 64 33.529 5.790 -15.988 1.00 44.51 H new ATOM 0 HG3 PRO A 64 32.787 7.350 -16.287 1.00 44.51 H new ATOM 0 HD2 PRO A 64 31.714 5.025 -14.688 1.00 5.45 H new ATOM 0 HD3 PRO A 64 31.625 6.738 -14.333 1.00 5.45 H new ATOM 973 N LYS A 65 29.945 3.896 -18.808 1.00 63.55 N ATOM 974 CA LYS A 65 29.492 2.565 -19.239 1.00 13.53 C ATOM 975 C LYS A 65 28.007 2.332 -18.954 1.00 63.33 C ATOM 976 O LYS A 65 27.488 1.244 -19.206 1.00 73.10 O ATOM 977 CB LYS A 65 30.319 1.445 -18.588 1.00 62.35 C ATOM 978 CG LYS A 65 31.697 1.237 -19.201 1.00 44.04 C ATOM 979 CD LYS A 65 32.665 2.350 -18.838 1.00 24.10 C ATOM 980 CE LYS A 65 33.994 2.182 -19.552 1.00 53.25 C ATOM 981 NZ LYS A 65 33.846 2.268 -21.031 1.00 31.21 N ATOM 0 H LYS A 65 30.248 4.494 -19.576 1.00 63.55 H new ATOM 0 HA LYS A 65 29.641 2.536 -20.318 1.00 13.53 H new ATOM 0 HB2 LYS A 65 30.437 1.668 -17.528 1.00 62.35 H new ATOM 0 HB3 LYS A 65 29.760 0.512 -18.657 1.00 62.35 H new ATOM 0 HG2 LYS A 65 32.102 0.283 -18.864 1.00 44.04 H new ATOM 0 HG3 LYS A 65 31.604 1.179 -20.285 1.00 44.04 H new ATOM 0 HD2 LYS A 65 32.229 3.314 -19.100 1.00 24.10 H new ATOM 0 HD3 LYS A 65 32.827 2.356 -17.760 1.00 24.10 H new ATOM 0 HE2 LYS A 65 34.688 2.950 -19.212 1.00 53.25 H new ATOM 0 HE3 LYS A 65 34.429 1.219 -19.286 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 34.774 2.454 -21.462 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 33.469 1.370 -21.395 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 33.192 3.040 -21.270 1.00 31.21 H new ATOM 995 N SER A 66 27.321 3.343 -18.450 1.00 23.25 N ATOM 996 CA SER A 66 25.915 3.208 -18.128 1.00 12.53 C ATOM 997 C SER A 66 25.059 3.902 -19.182 1.00 33.45 C ATOM 998 O SER A 66 25.089 5.123 -19.321 1.00 53.54 O ATOM 999 CB SER A 66 25.626 3.778 -16.735 1.00 3.34 C ATOM 1000 OG SER A 66 24.287 3.514 -16.338 1.00 43.50 O ATOM 0 H SER A 66 27.715 4.263 -18.256 1.00 23.25 H new ATOM 0 HA SER A 66 25.661 2.148 -18.123 1.00 12.53 H new ATOM 0 HB2 SER A 66 26.315 3.343 -16.011 1.00 3.34 H new ATOM 0 HB3 SER A 66 25.802 4.854 -16.736 1.00 3.34 H new ATOM 0 HG SER A 66 24.131 3.887 -15.445 1.00 43.50 H new ATOM 1006 N LEU A 67 24.321 3.101 -19.937 1.00 44.51 N ATOM 1007 CA LEU A 67 23.422 3.602 -20.963 1.00 12.45 C ATOM 1008 C LEU A 67 22.446 2.500 -21.343 1.00 63.32 C ATOM 1009 O LEU A 67 22.501 1.407 -20.778 1.00 55.43 O ATOM 1010 CB LEU A 67 24.195 4.072 -22.210 1.00 61.34 C ATOM 1011 CG LEU A 67 24.823 2.970 -23.083 1.00 40.13 C ATOM 1012 CD1 LEU A 67 25.300 3.553 -24.404 1.00 43.43 C ATOM 1013 CD2 LEU A 67 25.985 2.292 -22.368 1.00 40.31 C ATOM 0 H LEU A 67 24.330 2.084 -19.854 1.00 44.51 H new ATOM 0 HA LEU A 67 22.884 4.462 -20.565 1.00 12.45 H new ATOM 0 HB2 LEU A 67 23.517 4.656 -22.832 1.00 61.34 H new ATOM 0 HB3 LEU A 67 24.989 4.745 -21.886 1.00 61.34 H new ATOM 0 HG LEU A 67 24.056 2.220 -23.275 1.00 40.13 H new ATOM 0 HD11 LEU A 67 25.742 2.763 -25.012 1.00 43.43 H new ATOM 0 HD12 LEU A 67 24.454 3.990 -24.935 1.00 43.43 H new ATOM 0 HD13 LEU A 67 26.046 4.324 -24.213 1.00 43.43 H new ATOM 0 HD21 LEU A 67 26.407 1.519 -23.011 1.00 40.31 H new ATOM 0 HD22 LEU A 67 26.752 3.031 -22.138 1.00 40.31 H new ATOM 0 HD23 LEU A 67 25.629 1.840 -21.443 1.00 40.31 H new ATOM 1025 N ARG A 68 21.563 2.773 -22.287 1.00 14.23 N ATOM 1026 CA ARG A 68 20.651 1.755 -22.771 1.00 22.22 C ATOM 1027 C ARG A 68 20.503 1.861 -24.279 1.00 73.40 C ATOM 1028 O ARG A 68 21.101 2.734 -24.908 1.00 12.31 O ATOM 1029 CB ARG A 68 19.278 1.862 -22.099 1.00 54.24 C ATOM 1030 CG ARG A 68 18.464 3.077 -22.519 1.00 45.11 C ATOM 1031 CD ARG A 68 16.983 2.844 -22.276 1.00 35.31 C ATOM 1032 NE ARG A 68 16.506 1.665 -23.001 1.00 31.44 N ATOM 1033 CZ ARG A 68 15.462 0.925 -22.629 1.00 50.02 C ATOM 1034 NH1 ARG A 68 14.741 1.263 -21.568 1.00 73.03 N ATOM 1035 NH2 ARG A 68 15.144 -0.158 -23.323 1.00 42.20 N ATOM 0 H ARG A 68 21.459 3.686 -22.731 1.00 14.23 H new ATOM 0 HA ARG A 68 21.072 0.782 -22.516 1.00 22.22 H new ATOM 0 HB2 ARG A 68 18.706 0.962 -22.324 1.00 54.24 H new ATOM 0 HB3 ARG A 68 19.417 1.889 -21.018 1.00 54.24 H new ATOM 0 HG2 ARG A 68 18.795 3.953 -21.961 1.00 45.11 H new ATOM 0 HG3 ARG A 68 18.635 3.288 -23.575 1.00 45.11 H new ATOM 0 HD2 ARG A 68 16.803 2.715 -21.209 1.00 35.31 H new ATOM 0 HD3 ARG A 68 16.418 3.721 -22.591 1.00 35.31 H new ATOM 0 HE ARG A 68 17.006 1.392 -23.847 1.00 31.44 H new ATOM 0 HH11 ARG A 68 14.984 2.095 -21.030 1.00 73.03 H new ATOM 0 HH12 ARG A 68 13.943 0.691 -21.290 1.00 73.03 H new ATOM 0 HH21 ARG A 68 15.697 -0.422 -24.138 1.00 42.20 H new ATOM 0 HH22 ARG A 68 14.346 -0.728 -23.042 1.00 42.20 H new ATOM 1049 N ASP A 69 19.699 0.977 -24.847 1.00 43.42 N ATOM 1050 CA ASP A 69 19.486 0.944 -26.286 1.00 35.03 C ATOM 1051 C ASP A 69 18.599 2.098 -26.733 1.00 44.35 C ATOM 1052 O ASP A 69 17.799 2.626 -25.955 1.00 24.24 O ATOM 1053 CB ASP A 69 18.824 -0.371 -26.697 1.00 15.24 C ATOM 1054 CG ASP A 69 17.379 -0.447 -26.242 1.00 5.01 C ATOM 1055 OD1 ASP A 69 17.140 -0.782 -25.062 1.00 51.34 O ATOM 1056 OD2 ASP A 69 16.475 -0.163 -27.052 1.00 2.22 O ATOM 0 H ASP A 69 19.180 0.268 -24.330 1.00 43.42 H new ATOM 0 HA ASP A 69 20.461 1.033 -26.765 1.00 35.03 H new ATOM 0 HB2 ASP A 69 18.869 -0.476 -27.781 1.00 15.24 H new ATOM 0 HB3 ASP A 69 19.382 -1.206 -26.273 1.00 15.24 H new ATOM 1061 N ALA A 70 18.756 2.485 -27.984 1.00 31.34 N ATOM 1062 CA ALA A 70 17.840 3.406 -28.629 1.00 34.42 C ATOM 1063 C ALA A 70 17.273 2.722 -29.861 1.00 3.43 C ATOM 1064 O ALA A 70 17.723 2.956 -30.983 1.00 31.54 O ATOM 1065 CB ALA A 70 18.537 4.711 -28.989 1.00 74.14 C ATOM 0 H ALA A 70 19.521 2.171 -28.581 1.00 31.34 H new ATOM 0 HA ALA A 70 17.030 3.664 -27.947 1.00 34.42 H new ATOM 0 HB1 ALA A 70 17.826 5.382 -29.471 1.00 74.14 H new ATOM 0 HB2 ALA A 70 18.922 5.180 -28.083 1.00 74.14 H new ATOM 0 HB3 ALA A 70 19.363 4.507 -29.671 1.00 74.14 H new ATOM 1071 N MET A 71 16.324 1.828 -29.631 1.00 45.13 N ATOM 1072 CA MET A 71 15.805 0.968 -30.683 1.00 4.24 C ATOM 1073 C MET A 71 14.994 1.759 -31.699 1.00 23.21 C ATOM 1074 O MET A 71 14.318 2.733 -31.356 1.00 22.34 O ATOM 1075 CB MET A 71 14.954 -0.151 -30.078 1.00 35.40 C ATOM 1076 CG MET A 71 14.517 -1.202 -31.087 1.00 23.12 C ATOM 1077 SD MET A 71 15.912 -1.933 -31.968 1.00 51.33 S ATOM 1078 CE MET A 71 16.848 -2.622 -30.604 1.00 40.34 C ATOM 0 H MET A 71 15.895 1.679 -28.718 1.00 45.13 H new ATOM 0 HA MET A 71 16.654 0.527 -31.206 1.00 4.24 H new ATOM 0 HB2 MET A 71 15.520 -0.637 -29.283 1.00 35.40 H new ATOM 0 HB3 MET A 71 14.069 0.287 -29.617 1.00 35.40 H new ATOM 0 HG2 MET A 71 13.964 -1.988 -30.572 1.00 23.12 H new ATOM 0 HG3 MET A 71 13.834 -0.750 -31.806 1.00 23.12 H new ATOM 0 HE1 MET A 71 17.574 -3.340 -30.987 1.00 40.34 H new ATOM 0 HE2 MET A 71 17.371 -1.822 -30.080 1.00 40.34 H new ATOM 0 HE3 MET A 71 16.170 -3.124 -29.914 1.00 40.34 H new ATOM 1088 N VAL A 72 15.077 1.337 -32.949 1.00 63.22 N ATOM 1089 CA VAL A 72 14.351 1.977 -34.029 1.00 20.35 C ATOM 1090 C VAL A 72 12.954 1.375 -34.157 1.00 74.04 C ATOM 1091 O VAL A 72 12.734 0.214 -33.805 1.00 55.44 O ATOM 1092 CB VAL A 72 15.103 1.837 -35.372 1.00 25.34 C ATOM 1093 CG1 VAL A 72 16.435 2.570 -35.314 1.00 15.15 C ATOM 1094 CG2 VAL A 72 15.318 0.371 -35.726 1.00 1.10 C ATOM 0 H VAL A 72 15.648 0.544 -33.242 1.00 63.22 H new ATOM 0 HA VAL A 72 14.269 3.037 -33.791 1.00 20.35 H new ATOM 0 HB VAL A 72 14.490 2.288 -36.152 1.00 25.34 H new ATOM 0 HG11 VAL A 72 16.952 2.461 -36.268 1.00 15.15 H new ATOM 0 HG12 VAL A 72 16.260 3.627 -35.114 1.00 15.15 H new ATOM 0 HG13 VAL A 72 17.049 2.147 -34.519 1.00 15.15 H new ATOM 0 HG21 VAL A 72 15.849 0.300 -36.675 1.00 1.10 H new ATOM 0 HG22 VAL A 72 15.906 -0.110 -34.944 1.00 1.10 H new ATOM 0 HG23 VAL A 72 14.353 -0.128 -35.812 1.00 1.10 H new ATOM 1104 N GLU A 73 12.013 2.164 -34.646 1.00 42.10 N ATOM 1105 CA GLU A 73 10.649 1.692 -34.804 1.00 31.53 C ATOM 1106 C GLU A 73 10.450 1.172 -36.222 1.00 63.01 C ATOM 1107 O GLU A 73 10.234 1.947 -37.153 1.00 71.10 O ATOM 1108 CB GLU A 73 9.649 2.818 -34.505 1.00 14.44 C ATOM 1109 CG GLU A 73 8.382 2.352 -33.797 1.00 61.51 C ATOM 1110 CD GLU A 73 7.700 1.196 -34.497 1.00 54.52 C ATOM 1111 OE1 GLU A 73 6.847 1.439 -35.374 1.00 45.14 O ATOM 1112 OE2 GLU A 73 8.005 0.034 -34.162 1.00 71.22 O ATOM 0 H GLU A 73 12.167 3.129 -34.939 1.00 42.10 H new ATOM 0 HA GLU A 73 10.471 0.883 -34.096 1.00 31.53 H new ATOM 0 HB2 GLU A 73 10.140 3.572 -33.890 1.00 14.44 H new ATOM 0 HB3 GLU A 73 9.372 3.302 -35.442 1.00 14.44 H new ATOM 0 HG2 GLU A 73 8.631 2.056 -32.778 1.00 61.51 H new ATOM 0 HG3 GLU A 73 7.685 3.187 -33.725 1.00 61.51 H new ATOM 1119 N ASP A 74 10.566 -0.133 -36.384 1.00 54.20 N ATOM 1120 CA ASP A 74 10.352 -0.763 -37.674 1.00 62.35 C ATOM 1121 C ASP A 74 9.485 -1.993 -37.493 1.00 53.00 C ATOM 1122 O ASP A 74 10.021 -3.047 -37.093 1.00 23.45 O ATOM 1123 CB ASP A 74 11.682 -1.146 -38.327 1.00 30.50 C ATOM 1124 CG ASP A 74 11.509 -1.569 -39.774 1.00 30.14 C ATOM 1125 OD1 ASP A 74 11.493 -0.683 -40.654 1.00 50.44 O ATOM 1126 OD2 ASP A 74 11.403 -2.784 -40.045 1.00 23.10 O ATOM 1127 OXT ASP A 74 8.259 -1.892 -37.707 1.00 0.00 O ATOM 0 H ASP A 74 10.809 -0.780 -35.634 1.00 54.20 H new ATOM 0 HA ASP A 74 9.850 -0.053 -38.331 1.00 62.35 H new ATOM 0 HB2 ASP A 74 12.366 -0.299 -38.277 1.00 30.50 H new ATOM 0 HB3 ASP A 74 12.140 -1.960 -37.765 1.00 30.50 H new TER 1132 ASP A 74