USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 880 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 27 TYR OH : rot 180:sc= -0.213 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 MET CE :methyl -150:sc= -0.117 (180deg=-0.225) USER MOD Set 2.2: A 90 MET CE :methyl -144:sc= -3.19 (180deg=-5.54!) USER MOD Set 3.1: A 11 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 6 ASN : amide:sc= -0.15 X(o=0.36,f=0.13) USER MOD Set 4.2: A 36 THR OG1 : rot 45:sc= 0.506 USER MOD Single : A 1 GLY N :NH3+ -126:sc= -0.21 (180deg=-1.68!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -155:sc= -0.139 (180deg=-0.757) USER MOD Single : A 15 MET CE :methyl 145:sc= -0.172 (180deg=-1.77!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -121:sc= 1.24 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0628 K(o=-0.063,f=-1.7!) USER MOD Single : A 34 ASN : amide:sc= -0.0529 K(o=-0.053,f=-1.3) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 12:sc= 0.463 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 50:sc= -0.45 USER MOD Single : A 64 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -26:sc= -0.172 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc=-0.00689 (180deg=-0.00689) USER MOD Single : A 75 LYS NZ :NH3+ 151:sc= -0.034 (180deg=-0.778) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -81:sc= 0.132 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.016) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.7!) USER MOD Single : A 104 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.93) USER MOD Single : A 105 ASN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.712 -15.972 -10.348 1.00 24.23 N ATOM 2 CA GLY A 1 10.644 -16.044 -9.368 1.00 24.51 C ATOM 3 C GLY A 1 11.044 -16.823 -8.130 1.00 61.32 C ATOM 4 O GLY A 1 10.542 -17.916 -7.870 1.00 14.35 O ATOM 0 H1 GLY A 1 11.890 -14.978 -10.595 1.00 24.23 H new ATOM 0 H2 GLY A 1 12.577 -16.391 -9.950 1.00 24.23 H new ATOM 0 H3 GLY A 1 11.435 -16.496 -11.202 1.00 24.23 H new ATOM 0 HA2 GLY A 1 10.351 -15.034 -9.079 1.00 24.51 H new ATOM 0 HA3 GLY A 1 9.770 -16.512 -9.821 1.00 24.51 H new ATOM 8 N PRO A 2 11.971 -16.256 -7.343 1.00 61.32 N ATOM 9 CA PRO A 2 12.460 -16.889 -6.115 1.00 13.33 C ATOM 10 C PRO A 2 11.402 -16.914 -5.016 1.00 40.23 C ATOM 11 O PRO A 2 11.270 -17.899 -4.291 1.00 22.05 O ATOM 12 CB PRO A 2 13.636 -16.000 -5.702 1.00 63.45 C ATOM 13 CG PRO A 2 13.338 -14.672 -6.307 1.00 0.32 C ATOM 14 CD PRO A 2 12.613 -14.955 -7.594 1.00 4.04 C ATOM 0 HA PRO A 2 12.731 -17.933 -6.274 1.00 13.33 H new ATOM 0 HB2 PRO A 2 13.718 -15.931 -4.617 1.00 63.45 H new ATOM 0 HB3 PRO A 2 14.582 -16.399 -6.069 1.00 63.45 H new ATOM 0 HG2 PRO A 2 12.725 -14.068 -5.639 1.00 0.32 H new ATOM 0 HG3 PRO A 2 14.255 -14.113 -6.491 1.00 0.32 H new ATOM 0 HD2 PRO A 2 11.879 -14.182 -7.821 1.00 4.04 H new ATOM 0 HD3 PRO A 2 13.299 -15.002 -8.440 1.00 4.04 H new ATOM 22 N GLY A 3 10.650 -15.825 -4.900 1.00 14.50 N ATOM 23 CA GLY A 3 9.612 -15.743 -3.888 1.00 25.34 C ATOM 24 C GLY A 3 9.599 -14.403 -3.178 1.00 22.41 C ATOM 25 O GLY A 3 10.378 -14.175 -2.253 1.00 25.12 O ATOM 0 H GLY A 3 10.740 -14.997 -5.489 1.00 14.50 H new ATOM 0 HA2 GLY A 3 8.641 -15.914 -4.353 1.00 25.34 H new ATOM 0 HA3 GLY A 3 9.759 -16.537 -3.156 1.00 25.34 H new ATOM 29 N SER A 4 8.711 -13.515 -3.613 1.00 11.44 N ATOM 30 CA SER A 4 8.602 -12.188 -3.016 1.00 62.43 C ATOM 31 C SER A 4 7.391 -11.443 -3.566 1.00 74.14 C ATOM 32 O SER A 4 7.008 -11.626 -4.721 1.00 43.12 O ATOM 33 CB SER A 4 9.875 -11.382 -3.280 1.00 3.13 C ATOM 34 OG SER A 4 10.449 -11.728 -4.529 1.00 21.11 O ATOM 0 H SER A 4 8.057 -13.690 -4.376 1.00 11.44 H new ATOM 0 HA SER A 4 8.474 -12.309 -1.940 1.00 62.43 H new ATOM 0 HB2 SER A 4 9.644 -10.317 -3.265 1.00 3.13 H new ATOM 0 HB3 SER A 4 10.596 -11.563 -2.483 1.00 3.13 H new ATOM 0 HG SER A 4 11.260 -11.198 -4.674 1.00 21.11 H new ATOM 40 N MET A 5 6.791 -10.602 -2.730 1.00 24.53 N ATOM 41 CA MET A 5 5.623 -9.827 -3.133 1.00 31.52 C ATOM 42 C MET A 5 5.950 -8.338 -3.182 1.00 34.30 C ATOM 43 O MET A 5 6.454 -7.771 -2.214 1.00 75.41 O ATOM 44 CB MET A 5 4.463 -10.075 -2.167 1.00 61.10 C ATOM 45 CG MET A 5 3.103 -9.722 -2.747 1.00 51.32 C ATOM 46 SD MET A 5 2.487 -8.133 -2.157 1.00 64.52 S ATOM 47 CE MET A 5 2.224 -8.495 -0.423 1.00 71.53 C ATOM 0 H MET A 5 7.094 -10.440 -1.770 1.00 24.53 H new ATOM 0 HA MET A 5 5.330 -10.150 -4.132 1.00 31.52 H new ATOM 0 HB2 MET A 5 4.463 -11.125 -1.875 1.00 61.10 H new ATOM 0 HB3 MET A 5 4.625 -9.492 -1.261 1.00 61.10 H new ATOM 0 HG2 MET A 5 3.171 -9.700 -3.835 1.00 51.32 H new ATOM 0 HG3 MET A 5 2.388 -10.503 -2.488 1.00 51.32 H new ATOM 0 HE1 MET A 5 1.466 -7.822 -0.022 1.00 71.53 H new ATOM 0 HE2 MET A 5 1.888 -9.526 -0.313 1.00 71.53 H new ATOM 0 HE3 MET A 5 3.157 -8.358 0.123 1.00 71.53 H new ATOM 57 N ASN A 6 5.658 -7.710 -4.317 1.00 22.41 N ATOM 58 CA ASN A 6 5.921 -6.287 -4.493 1.00 65.10 C ATOM 59 C ASN A 6 4.698 -5.457 -4.117 1.00 73.34 C ATOM 60 O ASN A 6 3.681 -5.485 -4.810 1.00 12.33 O ATOM 61 CB ASN A 6 6.324 -5.997 -5.940 1.00 3.44 C ATOM 62 CG ASN A 6 7.441 -6.903 -6.422 1.00 52.44 C ATOM 63 OD1 ASN A 6 7.210 -7.837 -7.190 1.00 13.31 O ATOM 64 ND2 ASN A 6 8.660 -6.630 -5.972 1.00 43.14 N ATOM 0 H ASN A 6 5.239 -8.165 -5.128 1.00 22.41 H new ATOM 0 HA ASN A 6 6.742 -6.010 -3.832 1.00 65.10 H new ATOM 0 HB2 ASN A 6 5.456 -6.119 -6.588 1.00 3.44 H new ATOM 0 HB3 ASN A 6 6.641 -4.958 -6.025 1.00 3.44 H new ATOM 0 HD21 ASN A 6 9.451 -7.205 -6.262 1.00 43.14 H new ATOM 0 HD22 ASN A 6 8.805 -5.845 -5.337 1.00 43.14 H new ATOM 71 N ILE A 7 4.805 -4.719 -3.018 1.00 62.12 N ATOM 72 CA ILE A 7 3.708 -3.879 -2.552 1.00 24.04 C ATOM 73 C ILE A 7 3.849 -2.453 -3.072 1.00 3.24 C ATOM 74 O ILE A 7 4.950 -1.901 -3.113 1.00 1.22 O ATOM 75 CB ILE A 7 3.638 -3.849 -1.014 1.00 12.44 C ATOM 76 CG1 ILE A 7 3.515 -5.270 -0.459 1.00 63.02 C ATOM 77 CG2 ILE A 7 2.467 -2.993 -0.554 1.00 42.30 C ATOM 78 CD1 ILE A 7 3.629 -5.342 1.048 1.00 41.03 C ATOM 0 H ILE A 7 5.640 -4.685 -2.433 1.00 62.12 H new ATOM 0 HA ILE A 7 2.788 -4.315 -2.941 1.00 24.04 H new ATOM 0 HB ILE A 7 4.559 -3.408 -0.632 1.00 12.44 H new ATOM 0 HG12 ILE A 7 2.556 -5.688 -0.763 1.00 63.02 H new ATOM 0 HG13 ILE A 7 4.290 -5.894 -0.904 1.00 63.02 H new ATOM 0 HG21 ILE A 7 2.431 -2.981 0.535 1.00 42.30 H new ATOM 0 HG22 ILE A 7 2.593 -1.975 -0.924 1.00 42.30 H new ATOM 0 HG23 ILE A 7 1.538 -3.408 -0.944 1.00 42.30 H new ATOM 0 HD11 ILE A 7 3.533 -6.379 1.371 1.00 41.03 H new ATOM 0 HD12 ILE A 7 4.599 -4.954 1.358 1.00 41.03 H new ATOM 0 HD13 ILE A 7 2.838 -4.745 1.502 1.00 41.03 H new ATOM 90 N LEU A 8 2.728 -1.859 -3.465 1.00 13.25 N ATOM 91 CA LEU A 8 2.725 -0.494 -3.980 1.00 30.43 C ATOM 92 C LEU A 8 2.110 0.468 -2.968 1.00 65.10 C ATOM 93 O LEU A 8 1.156 0.125 -2.269 1.00 73.05 O ATOM 94 CB LEU A 8 1.952 -0.428 -5.299 1.00 31.32 C ATOM 95 CG LEU A 8 1.976 0.918 -6.023 1.00 50.02 C ATOM 96 CD1 LEU A 8 3.406 1.402 -6.204 1.00 12.32 C ATOM 97 CD2 LEU A 8 1.273 0.813 -7.369 1.00 34.33 C ATOM 0 H LEU A 8 1.809 -2.301 -3.437 1.00 13.25 H new ATOM 0 HA LEU A 8 3.758 -0.195 -4.156 1.00 30.43 H new ATOM 0 HB2 LEU A 8 2.353 -1.187 -5.971 1.00 31.32 H new ATOM 0 HB3 LEU A 8 0.913 -0.694 -5.102 1.00 31.32 H new ATOM 0 HG LEU A 8 1.442 1.646 -5.412 1.00 50.02 H new ATOM 0 HD11 LEU A 8 3.403 2.361 -6.721 1.00 12.32 H new ATOM 0 HD12 LEU A 8 3.877 1.518 -5.228 1.00 12.32 H new ATOM 0 HD13 LEU A 8 3.965 0.674 -6.793 1.00 12.32 H new ATOM 0 HD21 LEU A 8 1.300 1.781 -7.870 1.00 34.33 H new ATOM 0 HD22 LEU A 8 1.778 0.070 -7.986 1.00 34.33 H new ATOM 0 HD23 LEU A 8 0.236 0.513 -7.216 1.00 34.33 H new ATOM 109 N LEU A 9 2.662 1.675 -2.897 1.00 63.34 N ATOM 110 CA LEU A 9 2.167 2.689 -1.973 1.00 21.15 C ATOM 111 C LEU A 9 1.958 4.020 -2.686 1.00 43.25 C ATOM 112 O LEU A 9 2.750 4.407 -3.547 1.00 32.13 O ATOM 113 CB LEU A 9 3.146 2.868 -0.810 1.00 55.44 C ATOM 114 CG LEU A 9 2.563 3.465 0.471 1.00 14.34 C ATOM 115 CD1 LEU A 9 1.425 2.602 0.993 1.00 10.41 C ATOM 116 CD2 LEU A 9 3.646 3.620 1.529 1.00 64.14 C ATOM 0 H LEU A 9 3.452 1.975 -3.468 1.00 63.34 H new ATOM 0 HA LEU A 9 1.206 2.353 -1.583 1.00 21.15 H new ATOM 0 HB2 LEU A 9 3.577 1.896 -0.571 1.00 55.44 H new ATOM 0 HB3 LEU A 9 3.964 3.506 -1.145 1.00 55.44 H new ATOM 0 HG LEU A 9 2.165 4.453 0.240 1.00 14.34 H new ATOM 0 HD11 LEU A 9 1.023 3.043 1.905 1.00 10.41 H new ATOM 0 HD12 LEU A 9 0.638 2.543 0.241 1.00 10.41 H new ATOM 0 HD13 LEU A 9 1.797 1.600 1.208 1.00 10.41 H new ATOM 0 HD21 LEU A 9 3.213 4.046 2.434 1.00 64.14 H new ATOM 0 HD22 LEU A 9 4.074 2.644 1.757 1.00 64.14 H new ATOM 0 HD23 LEU A 9 4.428 4.281 1.155 1.00 64.14 H new ATOM 128 N VAL A 10 0.888 4.720 -2.321 1.00 63.12 N ATOM 129 CA VAL A 10 0.576 6.010 -2.924 1.00 42.54 C ATOM 130 C VAL A 10 0.572 7.119 -1.877 1.00 74.44 C ATOM 131 O VAL A 10 -0.148 7.042 -0.880 1.00 62.34 O ATOM 132 CB VAL A 10 -0.790 5.983 -3.635 1.00 15.14 C ATOM 133 CG1 VAL A 10 -1.011 7.269 -4.416 1.00 34.53 C ATOM 134 CG2 VAL A 10 -0.892 4.770 -4.546 1.00 43.35 C ATOM 0 H VAL A 10 0.223 4.415 -1.610 1.00 63.12 H new ATOM 0 HA VAL A 10 1.354 6.212 -3.660 1.00 42.54 H new ATOM 0 HB VAL A 10 -1.572 5.907 -2.880 1.00 15.14 H new ATOM 0 HG11 VAL A 10 -1.981 7.232 -4.912 1.00 34.53 H new ATOM 0 HG12 VAL A 10 -0.985 8.118 -3.733 1.00 34.53 H new ATOM 0 HG13 VAL A 10 -0.226 7.380 -5.164 1.00 34.53 H new ATOM 0 HG21 VAL A 10 -1.863 4.767 -5.040 1.00 43.35 H new ATOM 0 HG22 VAL A 10 -0.103 4.812 -5.297 1.00 43.35 H new ATOM 0 HG23 VAL A 10 -0.783 3.861 -3.955 1.00 43.35 H new ATOM 144 N CYS A 11 1.376 8.150 -2.111 1.00 64.34 N ATOM 145 CA CYS A 11 1.464 9.275 -1.189 1.00 23.43 C ATOM 146 C CYS A 11 2.402 10.349 -1.730 1.00 2.33 C ATOM 147 O CYS A 11 2.040 11.523 -1.807 1.00 64.54 O ATOM 148 CB CYS A 11 1.950 8.801 0.182 1.00 72.30 C ATOM 149 SG CYS A 11 2.258 10.138 1.360 1.00 24.32 S ATOM 0 H CYS A 11 1.976 8.230 -2.932 1.00 64.34 H new ATOM 0 HA CYS A 11 0.468 9.706 -1.085 1.00 23.43 H new ATOM 0 HB2 CYS A 11 1.208 8.123 0.604 1.00 72.30 H new ATOM 0 HB3 CYS A 11 2.868 8.228 0.052 1.00 72.30 H new ATOM 0 HG CYS A 11 2.663 9.637 2.489 1.00 24.32 H new ATOM 155 N GLY A 12 3.612 9.939 -2.100 1.00 50.43 N ATOM 156 CA GLY A 12 4.584 10.880 -2.627 1.00 40.13 C ATOM 157 C GLY A 12 5.995 10.324 -2.615 1.00 35.15 C ATOM 158 O GLY A 12 6.190 9.111 -2.535 1.00 33.23 O ATOM 0 H GLY A 12 3.936 8.973 -2.044 1.00 50.43 H new ATOM 0 HA2 GLY A 12 4.311 11.147 -3.648 1.00 40.13 H new ATOM 0 HA3 GLY A 12 4.553 11.797 -2.039 1.00 40.13 H new ATOM 162 N ALA A 13 6.979 11.212 -2.695 1.00 3.14 N ATOM 163 CA ALA A 13 8.378 10.803 -2.692 1.00 1.22 C ATOM 164 C ALA A 13 8.883 10.583 -1.270 1.00 32.04 C ATOM 165 O ALA A 13 9.472 11.478 -0.665 1.00 23.10 O ATOM 166 CB ALA A 13 9.234 11.841 -3.403 1.00 12.42 C ATOM 0 H ALA A 13 6.834 12.219 -2.763 1.00 3.14 H new ATOM 0 HA ALA A 13 8.454 9.857 -3.228 1.00 1.22 H new ATOM 0 HB1 ALA A 13 10.276 11.522 -3.393 1.00 12.42 H new ATOM 0 HB2 ALA A 13 8.897 11.946 -4.434 1.00 12.42 H new ATOM 0 HB3 ALA A 13 9.143 12.799 -2.892 1.00 12.42 H new ATOM 172 N GLY A 14 8.647 9.386 -0.742 1.00 32.05 N ATOM 173 CA GLY A 14 9.084 9.072 0.606 1.00 23.52 C ATOM 174 C GLY A 14 9.866 7.776 0.674 1.00 24.33 C ATOM 175 O GLY A 14 9.852 7.086 1.694 1.00 54.31 O ATOM 0 H GLY A 14 8.162 8.629 -1.223 1.00 32.05 H new ATOM 0 HA2 GLY A 14 9.703 9.886 0.983 1.00 23.52 H new ATOM 0 HA3 GLY A 14 8.215 9.003 1.260 1.00 23.52 H new ATOM 179 N MET A 15 10.553 7.442 -0.414 1.00 55.41 N ATOM 180 CA MET A 15 11.344 6.218 -0.474 1.00 41.53 C ATOM 181 C MET A 15 12.438 6.227 0.589 1.00 40.22 C ATOM 182 O MET A 15 12.891 5.174 1.035 1.00 25.24 O ATOM 183 CB MET A 15 11.967 6.056 -1.862 1.00 11.51 C ATOM 184 CG MET A 15 11.031 5.421 -2.878 1.00 24.44 C ATOM 185 SD MET A 15 11.659 5.530 -4.564 1.00 54.53 S ATOM 186 CE MET A 15 10.348 6.463 -5.353 1.00 42.21 C ATOM 0 H MET A 15 10.578 8.002 -1.266 1.00 55.41 H new ATOM 0 HA MET A 15 10.680 5.375 -0.281 1.00 41.53 H new ATOM 0 HB2 MET A 15 12.278 7.034 -2.228 1.00 11.51 H new ATOM 0 HB3 MET A 15 12.867 5.447 -1.779 1.00 11.51 H new ATOM 0 HG2 MET A 15 10.877 4.374 -2.619 1.00 24.44 H new ATOM 0 HG3 MET A 15 10.058 5.909 -2.825 1.00 24.44 H new ATOM 0 HE1 MET A 15 10.775 7.123 -6.108 1.00 42.21 H new ATOM 0 HE2 MET A 15 9.646 5.776 -5.826 1.00 42.21 H new ATOM 0 HE3 MET A 15 9.824 7.058 -4.605 1.00 42.21 H new ATOM 196 N SER A 16 12.858 7.423 0.990 1.00 21.42 N ATOM 197 CA SER A 16 13.901 7.567 1.999 1.00 41.41 C ATOM 198 C SER A 16 13.429 8.456 3.146 1.00 42.12 C ATOM 199 O SER A 16 12.646 9.384 2.947 1.00 52.45 O ATOM 200 CB SER A 16 15.168 8.155 1.372 1.00 53.51 C ATOM 201 OG SER A 16 15.039 8.257 -0.036 1.00 53.21 O ATOM 0 H SER A 16 12.492 8.305 0.632 1.00 21.42 H new ATOM 0 HA SER A 16 14.126 6.578 2.398 1.00 41.41 H new ATOM 0 HB2 SER A 16 15.363 9.140 1.795 1.00 53.51 H new ATOM 0 HB3 SER A 16 16.024 7.527 1.618 1.00 53.51 H new ATOM 0 HG SER A 16 15.860 8.637 -0.413 1.00 53.21 H new ATOM 207 N THR A 17 13.913 8.163 4.350 1.00 54.55 N ATOM 208 CA THR A 17 13.540 8.933 5.530 1.00 52.33 C ATOM 209 C THR A 17 12.026 8.982 5.699 1.00 2.32 C ATOM 210 O THR A 17 11.385 9.974 5.352 1.00 32.54 O ATOM 211 CB THR A 17 14.084 10.372 5.457 1.00 55.12 C ATOM 212 OG1 THR A 17 15.374 10.377 4.836 1.00 52.41 O ATOM 213 CG2 THR A 17 14.182 10.985 6.846 1.00 41.25 C ATOM 0 H THR A 17 14.563 7.399 4.533 1.00 54.55 H new ATOM 0 HA THR A 17 13.982 8.428 6.389 1.00 52.33 H new ATOM 0 HB THR A 17 13.392 10.968 4.862 1.00 55.12 H new ATOM 0 HG1 THR A 17 15.712 11.296 4.792 1.00 52.41 H new ATOM 0 HG21 THR A 17 14.569 12.001 6.769 1.00 41.25 H new ATOM 0 HG22 THR A 17 13.193 11.007 7.305 1.00 41.25 H new ATOM 0 HG23 THR A 17 14.854 10.387 7.461 1.00 41.25 H new ATOM 221 N SER A 18 11.460 7.906 6.235 1.00 71.21 N ATOM 222 CA SER A 18 10.019 7.825 6.448 1.00 41.22 C ATOM 223 C SER A 18 9.696 6.954 7.658 1.00 1.22 C ATOM 224 O SER A 18 10.176 5.826 7.770 1.00 51.22 O ATOM 225 CB SER A 18 9.329 7.264 5.203 1.00 21.41 C ATOM 226 OG SER A 18 10.279 6.829 4.246 1.00 62.31 O ATOM 0 H SER A 18 11.977 7.078 6.530 1.00 71.21 H new ATOM 0 HA SER A 18 9.648 8.832 6.638 1.00 41.22 H new ATOM 0 HB2 SER A 18 8.684 6.431 5.485 1.00 21.41 H new ATOM 0 HB3 SER A 18 8.688 8.028 4.763 1.00 21.41 H new ATOM 0 HG SER A 18 10.151 7.323 3.410 1.00 62.31 H new ATOM 232 N MET A 19 8.881 7.487 8.562 1.00 32.11 N ATOM 233 CA MET A 19 8.492 6.759 9.764 1.00 4.31 C ATOM 234 C MET A 19 7.732 5.486 9.407 1.00 64.40 C ATOM 235 O MET A 19 8.129 4.385 9.791 1.00 53.11 O ATOM 236 CB MET A 19 7.632 7.644 10.667 1.00 15.30 C ATOM 237 CG MET A 19 8.290 8.966 11.029 1.00 64.13 C ATOM 238 SD MET A 19 7.403 10.388 10.364 1.00 1.35 S ATOM 239 CE MET A 19 6.568 10.983 11.834 1.00 65.34 C ATOM 0 H MET A 19 8.477 8.420 8.485 1.00 32.11 H new ATOM 0 HA MET A 19 9.400 6.481 10.299 1.00 4.31 H new ATOM 0 HB2 MET A 19 6.684 7.844 10.169 1.00 15.30 H new ATOM 0 HB3 MET A 19 7.402 7.099 11.583 1.00 15.30 H new ATOM 0 HG2 MET A 19 8.348 9.054 12.114 1.00 64.13 H new ATOM 0 HG3 MET A 19 9.313 8.973 10.654 1.00 64.13 H new ATOM 0 HE1 MET A 19 5.630 11.461 11.551 1.00 65.34 H new ATOM 0 HE2 MET A 19 6.362 10.145 12.500 1.00 65.34 H new ATOM 0 HE3 MET A 19 7.203 11.706 12.346 1.00 65.34 H new ATOM 249 N LEU A 20 6.638 5.643 8.670 1.00 62.31 N ATOM 250 CA LEU A 20 5.821 4.505 8.260 1.00 43.52 C ATOM 251 C LEU A 20 6.677 3.432 7.594 1.00 13.32 C ATOM 252 O LEU A 20 6.682 2.277 8.018 1.00 61.34 O ATOM 253 CB LEU A 20 4.719 4.962 7.303 1.00 51.00 C ATOM 254 CG LEU A 20 3.362 5.267 7.937 1.00 24.44 C ATOM 255 CD1 LEU A 20 2.733 3.996 8.487 1.00 34.04 C ATOM 256 CD2 LEU A 20 3.509 6.309 9.037 1.00 45.52 C ATOM 0 H LEU A 20 6.296 6.547 8.344 1.00 62.31 H new ATOM 0 HA LEU A 20 5.364 4.077 9.152 1.00 43.52 H new ATOM 0 HB2 LEU A 20 5.064 5.856 6.784 1.00 51.00 H new ATOM 0 HB3 LEU A 20 4.579 4.189 6.547 1.00 51.00 H new ATOM 0 HG LEU A 20 2.705 5.671 7.167 1.00 24.44 H new ATOM 0 HD11 LEU A 20 1.768 4.232 8.935 1.00 34.04 H new ATOM 0 HD12 LEU A 20 2.592 3.280 7.677 1.00 34.04 H new ATOM 0 HD13 LEU A 20 3.388 3.564 9.244 1.00 34.04 H new ATOM 0 HD21 LEU A 20 2.533 6.514 9.477 1.00 45.52 H new ATOM 0 HD22 LEU A 20 4.182 5.933 9.807 1.00 45.52 H new ATOM 0 HD23 LEU A 20 3.917 7.228 8.616 1.00 45.52 H new ATOM 268 N VAL A 21 7.400 3.824 6.550 1.00 25.33 N ATOM 269 CA VAL A 21 8.263 2.896 5.828 1.00 41.02 C ATOM 270 C VAL A 21 9.235 2.199 6.773 1.00 11.34 C ATOM 271 O VAL A 21 9.430 0.987 6.694 1.00 23.24 O ATOM 272 CB VAL A 21 9.063 3.616 4.726 1.00 54.31 C ATOM 273 CG1 VAL A 21 9.979 2.638 4.005 1.00 14.52 C ATOM 274 CG2 VAL A 21 8.122 4.301 3.746 1.00 73.44 C ATOM 0 H VAL A 21 7.406 4.777 6.185 1.00 25.33 H new ATOM 0 HA VAL A 21 7.612 2.152 5.368 1.00 41.02 H new ATOM 0 HB VAL A 21 9.684 4.381 5.192 1.00 54.31 H new ATOM 0 HG11 VAL A 21 10.536 3.165 3.230 1.00 14.52 H new ATOM 0 HG12 VAL A 21 10.677 2.199 4.718 1.00 14.52 H new ATOM 0 HG13 VAL A 21 9.382 1.848 3.549 1.00 14.52 H new ATOM 0 HG21 VAL A 21 8.704 4.805 2.974 1.00 73.44 H new ATOM 0 HG22 VAL A 21 7.473 3.557 3.284 1.00 73.44 H new ATOM 0 HG23 VAL A 21 7.513 5.033 4.277 1.00 73.44 H new ATOM 284 N GLN A 22 9.842 2.975 7.666 1.00 70.04 N ATOM 285 CA GLN A 22 10.796 2.431 8.627 1.00 75.24 C ATOM 286 C GLN A 22 10.148 1.345 9.479 1.00 12.11 C ATOM 287 O GLN A 22 10.746 0.297 9.725 1.00 12.22 O ATOM 288 CB GLN A 22 11.338 3.545 9.524 1.00 71.31 C ATOM 289 CG GLN A 22 12.596 4.205 8.981 1.00 61.11 C ATOM 290 CD GLN A 22 13.189 5.212 9.945 1.00 51.10 C ATOM 291 OE1 GLN A 22 12.551 6.206 10.293 1.00 22.21 O ATOM 292 NE2 GLN A 22 14.417 4.960 10.384 1.00 42.35 N ATOM 0 H GLN A 22 9.691 3.981 7.744 1.00 70.04 H new ATOM 0 HA GLN A 22 11.622 1.987 8.072 1.00 75.24 H new ATOM 0 HB2 GLN A 22 10.566 4.304 9.653 1.00 71.31 H new ATOM 0 HB3 GLN A 22 11.550 3.135 10.511 1.00 71.31 H new ATOM 0 HG2 GLN A 22 13.338 3.438 8.761 1.00 61.11 H new ATOM 0 HG3 GLN A 22 12.363 4.703 8.040 1.00 61.11 H new ATOM 0 HE21 GLN A 22 14.909 4.124 10.070 1.00 42.35 H new ATOM 0 HE22 GLN A 22 14.868 5.602 11.036 1.00 42.35 H new ATOM 301 N ARG A 23 8.924 1.603 9.929 1.00 22.32 N ATOM 302 CA ARG A 23 8.197 0.648 10.757 1.00 41.14 C ATOM 303 C ARG A 23 7.883 -0.623 9.971 1.00 43.21 C ATOM 304 O ARG A 23 7.983 -1.731 10.498 1.00 3.03 O ATOM 305 CB ARG A 23 6.901 1.273 11.275 1.00 54.23 C ATOM 306 CG ARG A 23 7.110 2.591 12.004 1.00 33.55 C ATOM 307 CD ARG A 23 6.849 2.449 13.495 1.00 32.05 C ATOM 308 NE ARG A 23 7.059 3.705 14.210 1.00 3.43 N ATOM 309 CZ ARG A 23 6.790 3.872 15.500 1.00 70.53 C ATOM 310 NH1 ARG A 23 6.302 2.866 16.213 1.00 14.20 N ATOM 311 NH2 ARG A 23 7.009 5.045 16.079 1.00 14.14 N ATOM 0 H ARG A 23 8.415 2.465 9.734 1.00 22.32 H new ATOM 0 HA ARG A 23 8.829 0.384 11.605 1.00 41.14 H new ATOM 0 HB2 ARG A 23 6.225 1.435 10.436 1.00 54.23 H new ATOM 0 HB3 ARG A 23 6.411 0.569 11.948 1.00 54.23 H new ATOM 0 HG2 ARG A 23 8.130 2.939 11.843 1.00 33.55 H new ATOM 0 HG3 ARG A 23 6.446 3.348 11.587 1.00 33.55 H new ATOM 0 HD2 ARG A 23 5.826 2.109 13.653 1.00 32.05 H new ATOM 0 HD3 ARG A 23 7.507 1.683 13.907 1.00 32.05 H new ATOM 0 HE ARG A 23 7.433 4.498 13.690 1.00 3.43 H new ATOM 0 HH11 ARG A 23 6.133 1.962 15.771 1.00 14.20 H new ATOM 0 HH12 ARG A 23 6.096 2.996 17.204 1.00 14.20 H new ATOM 0 HH21 ARG A 23 7.385 5.821 15.534 1.00 14.14 H new ATOM 0 HH22 ARG A 23 6.802 5.171 17.070 1.00 14.14 H new ATOM 325 N ILE A 24 7.502 -0.454 8.709 1.00 3.45 N ATOM 326 CA ILE A 24 7.174 -1.586 7.853 1.00 53.44 C ATOM 327 C ILE A 24 8.412 -2.422 7.549 1.00 52.34 C ATOM 328 O ILE A 24 8.424 -3.632 7.768 1.00 61.34 O ATOM 329 CB ILE A 24 6.542 -1.124 6.526 1.00 44.12 C ATOM 330 CG1 ILE A 24 5.258 -0.336 6.795 1.00 51.05 C ATOM 331 CG2 ILE A 24 6.259 -2.319 5.629 1.00 33.14 C ATOM 332 CD1 ILE A 24 4.965 0.717 5.749 1.00 70.12 C ATOM 0 H ILE A 24 7.413 0.456 8.257 1.00 3.45 H new ATOM 0 HA ILE A 24 6.452 -2.195 8.398 1.00 53.44 H new ATOM 0 HB ILE A 24 7.247 -0.470 6.013 1.00 44.12 H new ATOM 0 HG12 ILE A 24 4.419 -1.030 6.845 1.00 51.05 H new ATOM 0 HG13 ILE A 24 5.333 0.144 7.771 1.00 51.05 H new ATOM 0 HG21 ILE A 24 5.813 -1.976 4.696 1.00 33.14 H new ATOM 0 HG22 ILE A 24 7.191 -2.842 5.415 1.00 33.14 H new ATOM 0 HG23 ILE A 24 5.570 -2.997 6.133 1.00 33.14 H new ATOM 0 HD11 ILE A 24 4.041 1.236 6.004 1.00 70.12 H new ATOM 0 HD12 ILE A 24 5.786 1.434 5.714 1.00 70.12 H new ATOM 0 HD13 ILE A 24 4.857 0.241 4.774 1.00 70.12 H new ATOM 344 N GLU A 25 9.453 -1.767 7.045 1.00 44.54 N ATOM 345 CA GLU A 25 10.698 -2.450 6.711 1.00 34.45 C ATOM 346 C GLU A 25 11.301 -3.114 7.946 1.00 75.13 C ATOM 347 O GLU A 25 11.885 -4.194 7.862 1.00 21.01 O ATOM 348 CB GLU A 25 11.701 -1.467 6.107 1.00 54.42 C ATOM 349 CG GLU A 25 12.218 -0.438 7.098 1.00 23.22 C ATOM 350 CD GLU A 25 13.150 0.572 6.458 1.00 53.40 C ATOM 351 OE1 GLU A 25 12.965 0.874 5.261 1.00 44.21 O ATOM 352 OE2 GLU A 25 14.063 1.063 7.156 1.00 73.31 O ATOM 0 H GLU A 25 9.459 -0.764 6.859 1.00 44.54 H new ATOM 0 HA GLU A 25 10.472 -3.223 5.976 1.00 34.45 H new ATOM 0 HB2 GLU A 25 12.545 -2.025 5.702 1.00 54.42 H new ATOM 0 HB3 GLU A 25 11.231 -0.949 5.271 1.00 54.42 H new ATOM 0 HG2 GLU A 25 11.373 0.086 7.546 1.00 23.22 H new ATOM 0 HG3 GLU A 25 12.742 -0.949 7.906 1.00 23.22 H new ATOM 359 N LYS A 26 11.154 -2.459 9.093 1.00 64.50 N ATOM 360 CA LYS A 26 11.683 -2.984 10.347 1.00 71.01 C ATOM 361 C LYS A 26 10.954 -4.260 10.752 1.00 21.54 C ATOM 362 O LYS A 26 11.573 -5.309 10.934 1.00 71.22 O ATOM 363 CB LYS A 26 11.556 -1.936 11.456 1.00 65.33 C ATOM 364 CG LYS A 26 12.703 -0.941 11.486 1.00 21.31 C ATOM 365 CD LYS A 26 13.866 -1.456 12.317 1.00 21.52 C ATOM 366 CE LYS A 26 13.966 -0.729 13.649 1.00 62.23 C ATOM 367 NZ LYS A 26 15.109 -1.222 14.466 1.00 3.44 N ATOM 0 H LYS A 26 10.673 -1.564 9.180 1.00 64.50 H new ATOM 0 HA LYS A 26 12.737 -3.220 10.198 1.00 71.01 H new ATOM 0 HB2 LYS A 26 10.619 -1.394 11.327 1.00 65.33 H new ATOM 0 HB3 LYS A 26 11.501 -2.443 12.419 1.00 65.33 H new ATOM 0 HG2 LYS A 26 13.041 -0.743 10.469 1.00 21.31 H new ATOM 0 HG3 LYS A 26 12.353 0.007 11.896 1.00 21.31 H new ATOM 0 HD2 LYS A 26 13.743 -2.525 12.493 1.00 21.52 H new ATOM 0 HD3 LYS A 26 14.795 -1.329 11.762 1.00 21.52 H new ATOM 0 HE2 LYS A 26 14.081 0.340 13.471 1.00 62.23 H new ATOM 0 HE3 LYS A 26 13.038 -0.861 14.205 1.00 62.23 H new ATOM 0 HZ1 LYS A 26 15.143 -0.701 15.366 1.00 3.44 H new ATOM 0 HZ2 LYS A 26 14.987 -2.237 14.657 1.00 3.44 H new ATOM 0 HZ3 LYS A 26 15.997 -1.072 13.946 1.00 3.44 H new ATOM 381 N TYR A 27 9.637 -4.165 10.892 1.00 31.24 N ATOM 382 CA TYR A 27 8.824 -5.313 11.277 1.00 21.00 C ATOM 383 C TYR A 27 9.074 -6.495 10.346 1.00 74.35 C ATOM 384 O TYR A 27 9.260 -7.625 10.795 1.00 61.00 O ATOM 385 CB TYR A 27 7.340 -4.941 11.262 1.00 62.42 C ATOM 386 CG TYR A 27 6.419 -6.118 11.492 1.00 0.15 C ATOM 387 CD1 TYR A 27 5.988 -6.907 10.434 1.00 42.55 C ATOM 388 CD2 TYR A 27 5.980 -6.442 12.771 1.00 24.30 C ATOM 389 CE1 TYR A 27 5.146 -7.982 10.639 1.00 74.01 C ATOM 390 CE2 TYR A 27 5.140 -7.517 12.987 1.00 52.11 C ATOM 391 CZ TYR A 27 4.724 -8.283 11.918 1.00 45.13 C ATOM 392 OH TYR A 27 3.887 -9.354 12.128 1.00 63.35 O ATOM 0 H TYR A 27 9.109 -3.305 10.745 1.00 31.24 H new ATOM 0 HA TYR A 27 9.108 -5.605 12.288 1.00 21.00 H new ATOM 0 HB2 TYR A 27 7.154 -4.190 12.030 1.00 62.42 H new ATOM 0 HB3 TYR A 27 7.098 -4.483 10.303 1.00 62.42 H new ATOM 0 HD1 TYR A 27 6.317 -6.676 9.432 1.00 42.55 H new ATOM 0 HD2 TYR A 27 6.301 -5.843 13.610 1.00 24.30 H new ATOM 0 HE1 TYR A 27 4.820 -8.584 9.804 1.00 74.01 H new ATOM 0 HE2 TYR A 27 4.811 -7.756 13.987 1.00 52.11 H new ATOM 0 HH TYR A 27 3.686 -9.429 13.084 1.00 63.35 H new ATOM 402 N ALA A 28 9.076 -6.224 9.044 1.00 34.33 N ATOM 403 CA ALA A 28 9.305 -7.263 8.048 1.00 30.42 C ATOM 404 C ALA A 28 10.718 -7.827 8.158 1.00 51.14 C ATOM 405 O ALA A 28 10.911 -9.041 8.213 1.00 23.43 O ATOM 406 CB ALA A 28 9.060 -6.716 6.650 1.00 63.32 C ATOM 0 H ALA A 28 8.922 -5.294 8.655 1.00 34.33 H new ATOM 0 HA ALA A 28 8.603 -8.075 8.237 1.00 30.42 H new ATOM 0 HB1 ALA A 28 9.235 -7.502 5.916 1.00 63.32 H new ATOM 0 HB2 ALA A 28 8.030 -6.368 6.571 1.00 63.32 H new ATOM 0 HB3 ALA A 28 9.739 -5.885 6.460 1.00 63.32 H new ATOM 412 N LYS A 29 11.704 -6.937 8.188 1.00 43.13 N ATOM 413 CA LYS A 29 13.100 -7.344 8.291 1.00 70.32 C ATOM 414 C LYS A 29 13.332 -8.178 9.546 1.00 32.43 C ATOM 415 O LYS A 29 14.221 -9.029 9.583 1.00 44.32 O ATOM 416 CB LYS A 29 14.012 -6.115 8.307 1.00 51.00 C ATOM 417 CG LYS A 29 15.492 -6.456 8.329 1.00 14.24 C ATOM 418 CD LYS A 29 16.353 -5.204 8.275 1.00 24.13 C ATOM 419 CE LYS A 29 17.801 -5.509 8.627 1.00 21.01 C ATOM 420 NZ LYS A 29 18.749 -4.645 7.871 1.00 4.42 N ATOM 0 H LYS A 29 11.562 -5.928 8.142 1.00 43.13 H new ATOM 0 HA LYS A 29 13.339 -7.955 7.420 1.00 70.32 H new ATOM 0 HB2 LYS A 29 13.801 -5.505 7.428 1.00 51.00 H new ATOM 0 HB3 LYS A 29 13.775 -5.508 9.181 1.00 51.00 H new ATOM 0 HG2 LYS A 29 15.723 -7.019 9.233 1.00 14.24 H new ATOM 0 HG3 LYS A 29 15.731 -7.100 7.483 1.00 14.24 H new ATOM 0 HD2 LYS A 29 16.304 -4.770 7.276 1.00 24.13 H new ATOM 0 HD3 LYS A 29 15.958 -4.459 8.966 1.00 24.13 H new ATOM 0 HE2 LYS A 29 17.953 -5.365 9.697 1.00 21.01 H new ATOM 0 HE3 LYS A 29 18.014 -6.556 8.413 1.00 21.01 H new ATOM 0 HZ1 LYS A 29 19.725 -4.884 8.139 1.00 4.42 H new ATOM 0 HZ2 LYS A 29 18.622 -4.800 6.851 1.00 4.42 H new ATOM 0 HZ3 LYS A 29 18.563 -3.647 8.095 1.00 4.42 H new ATOM 434 N SER A 30 12.525 -7.931 10.574 1.00 70.04 N ATOM 435 CA SER A 30 12.645 -8.658 11.832 1.00 72.24 C ATOM 436 C SER A 30 11.882 -9.979 11.771 1.00 40.15 C ATOM 437 O SER A 30 12.361 -11.009 12.245 1.00 4.44 O ATOM 438 CB SER A 30 12.119 -7.807 12.989 1.00 4.05 C ATOM 439 OG SER A 30 13.186 -7.285 13.763 1.00 31.34 O ATOM 0 H SER A 30 11.781 -7.233 10.560 1.00 70.04 H new ATOM 0 HA SER A 30 13.700 -8.874 11.999 1.00 72.24 H new ATOM 0 HB2 SER A 30 11.515 -6.989 12.598 1.00 4.05 H new ATOM 0 HB3 SER A 30 11.467 -8.410 13.621 1.00 4.05 H new ATOM 0 HG SER A 30 12.824 -6.743 14.495 1.00 31.34 H new ATOM 445 N LYS A 31 10.693 -9.940 11.181 1.00 35.21 N ATOM 446 CA LYS A 31 9.862 -11.133 11.055 1.00 14.50 C ATOM 447 C LYS A 31 10.432 -12.084 10.007 1.00 34.01 C ATOM 448 O LYS A 31 10.064 -13.256 9.956 1.00 62.50 O ATOM 449 CB LYS A 31 8.430 -10.744 10.682 1.00 51.24 C ATOM 450 CG LYS A 31 7.505 -10.608 11.878 1.00 72.12 C ATOM 451 CD LYS A 31 7.164 -11.962 12.477 1.00 42.13 C ATOM 452 CE LYS A 31 5.674 -12.091 12.753 1.00 32.30 C ATOM 453 NZ LYS A 31 5.341 -11.762 14.167 1.00 63.31 N ATOM 0 H LYS A 31 10.282 -9.096 10.782 1.00 35.21 H new ATOM 0 HA LYS A 31 9.854 -11.644 12.018 1.00 14.50 H new ATOM 0 HB2 LYS A 31 8.449 -9.799 10.139 1.00 51.24 H new ATOM 0 HB3 LYS A 31 8.024 -11.494 10.003 1.00 51.24 H new ATOM 0 HG2 LYS A 31 7.978 -9.983 12.635 1.00 72.12 H new ATOM 0 HG3 LYS A 31 6.588 -10.102 11.574 1.00 72.12 H new ATOM 0 HD2 LYS A 31 7.478 -12.752 11.795 1.00 42.13 H new ATOM 0 HD3 LYS A 31 7.720 -12.101 13.404 1.00 42.13 H new ATOM 0 HE2 LYS A 31 5.122 -11.428 12.086 1.00 32.30 H new ATOM 0 HE3 LYS A 31 5.350 -13.108 12.531 1.00 32.30 H new ATOM 0 HZ1 LYS A 31 4.316 -11.862 14.315 1.00 63.31 H new ATOM 0 HZ2 LYS A 31 5.847 -12.411 14.803 1.00 63.31 H new ATOM 0 HZ3 LYS A 31 5.627 -10.783 14.372 1.00 63.31 H new ATOM 467 N ASN A 32 11.331 -11.569 9.175 1.00 64.41 N ATOM 468 CA ASN A 32 11.952 -12.374 8.129 1.00 61.23 C ATOM 469 C ASN A 32 10.913 -12.843 7.115 1.00 63.31 C ATOM 470 O ASN A 32 10.717 -14.044 6.923 1.00 54.34 O ATOM 471 CB ASN A 32 12.665 -13.582 8.741 1.00 15.22 C ATOM 472 CG ASN A 32 13.737 -14.145 7.828 1.00 34.34 C ATOM 473 OD1 ASN A 32 14.294 -13.431 6.994 1.00 64.14 O ATOM 474 ND2 ASN A 32 14.030 -15.430 7.982 1.00 21.51 N ATOM 0 H ASN A 32 11.646 -10.599 9.204 1.00 64.41 H new ATOM 0 HA ASN A 32 12.683 -11.752 7.613 1.00 61.23 H new ATOM 0 HB2 ASN A 32 13.116 -13.292 9.690 1.00 15.22 H new ATOM 0 HB3 ASN A 32 11.933 -14.360 8.960 1.00 15.22 H new ATOM 0 HD21 ASN A 32 14.743 -15.864 7.396 1.00 21.51 H new ATOM 0 HD22 ASN A 32 13.542 -15.983 8.687 1.00 21.51 H new ATOM 481 N ILE A 33 10.252 -11.889 6.468 1.00 24.54 N ATOM 482 CA ILE A 33 9.236 -12.205 5.472 1.00 32.21 C ATOM 483 C ILE A 33 9.677 -11.770 4.079 1.00 22.03 C ATOM 484 O ILE A 33 10.306 -10.725 3.914 1.00 71.34 O ATOM 485 CB ILE A 33 7.892 -11.531 5.807 1.00 51.54 C ATOM 486 CG1 ILE A 33 7.402 -11.977 7.185 1.00 33.53 C ATOM 487 CG2 ILE A 33 6.857 -11.854 4.739 1.00 2.45 C ATOM 488 CD1 ILE A 33 6.364 -11.055 7.785 1.00 2.05 C ATOM 0 H ILE A 33 10.402 -10.891 6.616 1.00 24.54 H new ATOM 0 HA ILE A 33 9.105 -13.287 5.487 1.00 32.21 H new ATOM 0 HB ILE A 33 8.039 -10.451 5.828 1.00 51.54 H new ATOM 0 HG12 ILE A 33 6.983 -12.980 7.105 1.00 33.53 H new ATOM 0 HG13 ILE A 33 8.254 -12.041 7.862 1.00 33.53 H new ATOM 0 HG21 ILE A 33 5.913 -11.371 4.990 1.00 2.45 H new ATOM 0 HG22 ILE A 33 7.206 -11.490 3.773 1.00 2.45 H new ATOM 0 HG23 ILE A 33 6.710 -12.933 4.689 1.00 2.45 H new ATOM 0 HD11 ILE A 33 6.062 -11.433 8.762 1.00 2.05 H new ATOM 0 HD12 ILE A 33 6.786 -10.056 7.897 1.00 2.05 H new ATOM 0 HD13 ILE A 33 5.495 -11.010 7.129 1.00 2.05 H new ATOM 500 N ASN A 34 9.341 -12.578 3.079 1.00 43.10 N ATOM 501 CA ASN A 34 9.702 -12.276 1.698 1.00 70.51 C ATOM 502 C ASN A 34 8.699 -11.314 1.072 1.00 74.10 C ATOM 503 O ASN A 34 7.780 -11.731 0.367 1.00 42.42 O ATOM 504 CB ASN A 34 9.773 -13.563 0.874 1.00 22.53 C ATOM 505 CG ASN A 34 10.599 -14.640 1.554 1.00 75.41 C ATOM 506 OD1 ASN A 34 10.167 -15.240 2.538 1.00 1.22 O ATOM 507 ND2 ASN A 34 11.793 -14.889 1.030 1.00 51.12 N ATOM 0 H ASN A 34 8.820 -13.446 3.199 1.00 43.10 H new ATOM 0 HA ASN A 34 10.683 -11.800 1.701 1.00 70.51 H new ATOM 0 HB2 ASN A 34 8.764 -13.937 0.702 1.00 22.53 H new ATOM 0 HB3 ASN A 34 10.202 -13.342 -0.103 1.00 22.53 H new ATOM 0 HD21 ASN A 34 12.393 -15.603 1.444 1.00 51.12 H new ATOM 0 HD22 ASN A 34 12.110 -14.367 0.213 1.00 51.12 H new ATOM 514 N ALA A 35 8.881 -10.024 1.333 1.00 4.24 N ATOM 515 CA ALA A 35 7.993 -9.001 0.794 1.00 23.52 C ATOM 516 C ALA A 35 8.751 -7.707 0.516 1.00 31.41 C ATOM 517 O ALA A 35 9.872 -7.517 0.989 1.00 32.34 O ATOM 518 CB ALA A 35 6.840 -8.745 1.752 1.00 11.42 C ATOM 0 H ALA A 35 9.636 -9.662 1.915 1.00 4.24 H new ATOM 0 HA ALA A 35 7.591 -9.365 -0.151 1.00 23.52 H new ATOM 0 HB1 ALA A 35 6.185 -7.979 1.337 1.00 11.42 H new ATOM 0 HB2 ALA A 35 6.275 -9.666 1.896 1.00 11.42 H new ATOM 0 HB3 ALA A 35 7.232 -8.406 2.711 1.00 11.42 H new ATOM 524 N THR A 36 8.132 -6.819 -0.255 1.00 3.21 N ATOM 525 CA THR A 36 8.750 -5.543 -0.598 1.00 31.20 C ATOM 526 C THR A 36 7.715 -4.424 -0.635 1.00 61.02 C ATOM 527 O THR A 36 6.514 -4.680 -0.729 1.00 53.45 O ATOM 528 CB THR A 36 9.463 -5.612 -1.961 1.00 24.23 C ATOM 529 OG1 THR A 36 9.122 -6.830 -2.631 1.00 74.52 O ATOM 530 CG2 THR A 36 10.973 -5.530 -1.786 1.00 60.21 C ATOM 0 H THR A 36 7.204 -6.959 -0.654 1.00 3.21 H new ATOM 0 HA THR A 36 9.485 -5.329 0.178 1.00 31.20 H new ATOM 0 HB THR A 36 9.135 -4.763 -2.561 1.00 24.23 H new ATOM 0 HG1 THR A 36 8.157 -6.985 -2.558 1.00 74.52 H new ATOM 0 HG21 THR A 36 11.456 -5.581 -2.762 1.00 60.21 H new ATOM 0 HG22 THR A 36 11.233 -4.589 -1.301 1.00 60.21 H new ATOM 0 HG23 THR A 36 11.313 -6.362 -1.169 1.00 60.21 H new ATOM 538 N ILE A 37 8.187 -3.185 -0.562 1.00 4.35 N ATOM 539 CA ILE A 37 7.303 -2.027 -0.590 1.00 13.15 C ATOM 540 C ILE A 37 7.963 -0.847 -1.294 1.00 32.23 C ATOM 541 O ILE A 37 9.175 -0.657 -1.202 1.00 74.03 O ATOM 542 CB ILE A 37 6.892 -1.598 0.832 1.00 44.34 C ATOM 543 CG1 ILE A 37 5.790 -0.539 0.770 1.00 15.21 C ATOM 544 CG2 ILE A 37 8.098 -1.072 1.596 1.00 61.04 C ATOM 545 CD1 ILE A 37 4.862 -0.562 1.965 1.00 73.55 C ATOM 0 H ILE A 37 9.178 -2.957 -0.483 1.00 4.35 H new ATOM 0 HA ILE A 37 6.412 -2.324 -1.143 1.00 13.15 H new ATOM 0 HB ILE A 37 6.504 -2.469 1.360 1.00 44.34 H new ATOM 0 HG12 ILE A 37 6.249 0.447 0.695 1.00 15.21 H new ATOM 0 HG13 ILE A 37 5.205 -0.688 -0.137 1.00 15.21 H new ATOM 0 HG21 ILE A 37 7.792 -0.773 2.598 1.00 61.04 H new ATOM 0 HG22 ILE A 37 8.854 -1.854 1.666 1.00 61.04 H new ATOM 0 HG23 ILE A 37 8.514 -0.211 1.072 1.00 61.04 H new ATOM 0 HD11 ILE A 37 4.106 0.215 1.854 1.00 73.55 H new ATOM 0 HD12 ILE A 37 4.375 -1.535 2.029 1.00 73.55 H new ATOM 0 HD13 ILE A 37 5.435 -0.383 2.874 1.00 73.55 H new ATOM 557 N GLU A 38 7.155 -0.056 -1.995 1.00 22.31 N ATOM 558 CA GLU A 38 7.662 1.106 -2.714 1.00 54.30 C ATOM 559 C GLU A 38 6.556 2.135 -2.932 1.00 4.33 C ATOM 560 O GLU A 38 5.397 1.782 -3.144 1.00 63.23 O ATOM 561 CB GLU A 38 8.251 0.684 -4.062 1.00 24.43 C ATOM 562 CG GLU A 38 8.858 1.833 -4.849 1.00 33.34 C ATOM 563 CD GLU A 38 10.068 1.412 -5.658 1.00 63.41 C ATOM 564 OE1 GLU A 38 10.114 0.241 -6.091 1.00 32.01 O ATOM 565 OE2 GLU A 38 10.970 2.252 -5.860 1.00 70.31 O ATOM 0 H GLU A 38 6.149 -0.199 -2.080 1.00 22.31 H new ATOM 0 HA GLU A 38 8.446 1.561 -2.109 1.00 54.30 H new ATOM 0 HB2 GLU A 38 9.016 -0.074 -3.893 1.00 24.43 H new ATOM 0 HB3 GLU A 38 7.468 0.218 -4.661 1.00 24.43 H new ATOM 0 HG2 GLU A 38 8.104 2.248 -5.519 1.00 33.34 H new ATOM 0 HG3 GLU A 38 9.145 2.628 -4.161 1.00 33.34 H new ATOM 572 N ALA A 39 6.925 3.411 -2.875 1.00 11.32 N ATOM 573 CA ALA A 39 5.967 4.493 -3.067 1.00 21.41 C ATOM 574 C ALA A 39 6.251 5.256 -4.356 1.00 10.02 C ATOM 575 O ALA A 39 7.408 5.482 -4.712 1.00 72.24 O ATOM 576 CB ALA A 39 5.992 5.438 -1.874 1.00 43.13 C ATOM 0 H ALA A 39 7.881 3.720 -2.697 1.00 11.32 H new ATOM 0 HA ALA A 39 4.972 4.054 -3.148 1.00 21.41 H new ATOM 0 HB1 ALA A 39 5.272 6.241 -2.031 1.00 43.13 H new ATOM 0 HB2 ALA A 39 5.732 4.889 -0.969 1.00 43.13 H new ATOM 0 HB3 ALA A 39 6.990 5.862 -1.766 1.00 43.13 H new ATOM 582 N ILE A 40 5.189 5.651 -5.051 1.00 14.13 N ATOM 583 CA ILE A 40 5.325 6.390 -6.299 1.00 65.41 C ATOM 584 C ILE A 40 4.200 7.405 -6.464 1.00 35.11 C ATOM 585 O ILE A 40 3.293 7.481 -5.635 1.00 62.44 O ATOM 586 CB ILE A 40 5.330 5.444 -7.515 1.00 53.10 C ATOM 587 CG1 ILE A 40 4.404 4.251 -7.264 1.00 61.11 C ATOM 588 CG2 ILE A 40 6.745 4.970 -7.813 1.00 33.13 C ATOM 589 CD1 ILE A 40 2.972 4.647 -6.985 1.00 14.15 C ATOM 0 H ILE A 40 4.225 5.471 -4.770 1.00 14.13 H new ATOM 0 HA ILE A 40 6.279 6.915 -6.252 1.00 65.41 H new ATOM 0 HB ILE A 40 4.961 5.990 -8.383 1.00 53.10 H new ATOM 0 HG12 ILE A 40 4.428 3.594 -8.133 1.00 61.11 H new ATOM 0 HG13 ILE A 40 4.785 3.677 -6.419 1.00 61.11 H new ATOM 0 HG21 ILE A 40 6.731 4.303 -8.675 1.00 33.13 H new ATOM 0 HG22 ILE A 40 7.379 5.830 -8.030 1.00 33.13 H new ATOM 0 HG23 ILE A 40 7.140 4.437 -6.948 1.00 33.13 H new ATOM 0 HD11 ILE A 40 2.373 3.752 -6.817 1.00 14.15 H new ATOM 0 HD12 ILE A 40 2.936 5.280 -6.098 1.00 14.15 H new ATOM 0 HD13 ILE A 40 2.573 5.195 -7.839 1.00 14.15 H new ATOM 601 N ALA A 41 4.265 8.183 -7.539 1.00 13.33 N ATOM 602 CA ALA A 41 3.249 9.192 -7.814 1.00 72.24 C ATOM 603 C ALA A 41 1.898 8.546 -8.104 1.00 41.03 C ATOM 604 O ALA A 41 1.741 7.332 -7.979 1.00 21.51 O ATOM 605 CB ALA A 41 3.678 10.068 -8.981 1.00 43.04 C ATOM 0 H ALA A 41 5.010 8.134 -8.234 1.00 13.33 H new ATOM 0 HA ALA A 41 3.141 9.815 -6.926 1.00 72.24 H new ATOM 0 HB1 ALA A 41 2.910 10.817 -9.175 1.00 43.04 H new ATOM 0 HB2 ALA A 41 4.617 10.566 -8.737 1.00 43.04 H new ATOM 0 HB3 ALA A 41 3.815 9.450 -9.868 1.00 43.04 H new ATOM 611 N GLU A 42 0.926 9.365 -8.490 1.00 50.32 N ATOM 612 CA GLU A 42 -0.413 8.872 -8.796 1.00 45.20 C ATOM 613 C GLU A 42 -0.537 8.518 -10.275 1.00 64.11 C ATOM 614 O GLU A 42 -1.339 7.665 -10.656 1.00 60.22 O ATOM 615 CB GLU A 42 -1.464 9.918 -8.421 1.00 42.52 C ATOM 616 CG GLU A 42 -1.220 11.280 -9.051 1.00 4.22 C ATOM 617 CD GLU A 42 -0.885 12.346 -8.026 1.00 24.52 C ATOM 618 OE1 GLU A 42 0.237 12.308 -7.477 1.00 33.35 O ATOM 619 OE2 GLU A 42 -1.741 13.217 -7.773 1.00 14.13 O ATOM 0 H GLU A 42 1.039 10.373 -8.599 1.00 50.32 H new ATOM 0 HA GLU A 42 -0.583 7.970 -8.208 1.00 45.20 H new ATOM 0 HB2 GLU A 42 -2.447 9.558 -8.724 1.00 42.52 H new ATOM 0 HB3 GLU A 42 -1.485 10.027 -7.337 1.00 42.52 H new ATOM 0 HG2 GLU A 42 -0.404 11.203 -9.769 1.00 4.22 H new ATOM 0 HG3 GLU A 42 -2.107 11.583 -9.608 1.00 4.22 H new ATOM 626 N THR A 43 0.263 9.180 -11.106 1.00 4.44 N ATOM 627 CA THR A 43 0.243 8.938 -12.543 1.00 55.34 C ATOM 628 C THR A 43 1.075 7.713 -12.906 1.00 53.12 C ATOM 629 O THR A 43 0.847 7.081 -13.937 1.00 71.04 O ATOM 630 CB THR A 43 0.771 10.154 -13.326 1.00 3.31 C ATOM 631 OG1 THR A 43 0.652 9.921 -14.734 1.00 35.13 O ATOM 632 CG2 THR A 43 2.225 10.433 -12.974 1.00 44.44 C ATOM 0 H THR A 43 0.933 9.889 -10.807 1.00 4.44 H new ATOM 0 HA THR A 43 -0.797 8.762 -12.819 1.00 55.34 H new ATOM 0 HB THR A 43 0.173 11.023 -13.051 1.00 3.31 H new ATOM 0 HG1 THR A 43 0.989 10.700 -15.224 1.00 35.13 H new ATOM 0 HG21 THR A 43 2.577 11.296 -13.539 1.00 44.44 H new ATOM 0 HG22 THR A 43 2.308 10.639 -11.907 1.00 44.44 H new ATOM 0 HG23 THR A 43 2.833 9.564 -13.224 1.00 44.44 H new ATOM 640 N ARG A 44 2.038 7.384 -12.052 1.00 50.15 N ATOM 641 CA ARG A 44 2.904 6.235 -12.284 1.00 64.31 C ATOM 642 C ARG A 44 2.277 4.960 -11.727 1.00 63.14 C ATOM 643 O ARG A 44 2.640 3.852 -12.124 1.00 4.21 O ATOM 644 CB ARG A 44 4.274 6.465 -11.644 1.00 4.03 C ATOM 645 CG ARG A 44 5.439 6.087 -12.544 1.00 20.34 C ATOM 646 CD ARG A 44 6.650 5.650 -11.733 1.00 71.15 C ATOM 647 NE ARG A 44 7.884 5.720 -12.513 1.00 74.23 N ATOM 648 CZ ARG A 44 9.024 5.150 -12.137 1.00 51.44 C ATOM 649 NH1 ARG A 44 9.086 4.472 -11.000 1.00 63.24 N ATOM 650 NH2 ARG A 44 10.104 5.259 -12.901 1.00 31.34 N ATOM 0 H ARG A 44 2.238 7.897 -11.193 1.00 50.15 H new ATOM 0 HA ARG A 44 3.029 6.117 -13.360 1.00 64.31 H new ATOM 0 HB2 ARG A 44 4.365 7.516 -11.369 1.00 4.03 H new ATOM 0 HB3 ARG A 44 4.336 5.887 -10.722 1.00 4.03 H new ATOM 0 HG2 ARG A 44 5.137 5.281 -13.213 1.00 20.34 H new ATOM 0 HG3 ARG A 44 5.707 6.937 -13.171 1.00 20.34 H new ATOM 0 HD2 ARG A 44 6.743 6.282 -10.850 1.00 71.15 H new ATOM 0 HD3 ARG A 44 6.501 4.629 -11.380 1.00 71.15 H new ATOM 0 HE ARG A 44 7.869 6.234 -13.394 1.00 74.23 H new ATOM 0 HH11 ARG A 44 8.257 4.387 -10.411 1.00 63.24 H new ATOM 0 HH12 ARG A 44 9.962 4.035 -10.714 1.00 63.24 H new ATOM 0 HH21 ARG A 44 10.059 5.780 -13.777 1.00 31.34 H new ATOM 0 HH22 ARG A 44 10.979 4.822 -12.612 1.00 31.34 H new ATOM 664 N LEU A 45 1.335 5.125 -10.806 1.00 12.24 N ATOM 665 CA LEU A 45 0.658 3.988 -10.193 1.00 73.35 C ATOM 666 C LEU A 45 0.030 3.090 -11.256 1.00 4.45 C ATOM 667 O LEU A 45 0.071 1.864 -11.150 1.00 13.23 O ATOM 668 CB LEU A 45 -0.418 4.473 -9.220 1.00 13.32 C ATOM 669 CG LEU A 45 -1.464 3.438 -8.804 1.00 53.31 C ATOM 670 CD1 LEU A 45 -1.916 3.681 -7.372 1.00 44.03 C ATOM 671 CD2 LEU A 45 -2.653 3.471 -9.753 1.00 72.21 C ATOM 0 H LEU A 45 1.022 6.035 -10.467 1.00 12.24 H new ATOM 0 HA LEU A 45 1.400 3.408 -9.645 1.00 73.35 H new ATOM 0 HB2 LEU A 45 0.074 4.844 -8.321 1.00 13.32 H new ATOM 0 HB3 LEU A 45 -0.934 5.319 -9.673 1.00 13.32 H new ATOM 0 HG LEU A 45 -1.009 2.449 -8.857 1.00 53.31 H new ATOM 0 HD11 LEU A 45 -2.660 2.935 -7.094 1.00 44.03 H new ATOM 0 HD12 LEU A 45 -1.059 3.606 -6.702 1.00 44.03 H new ATOM 0 HD13 LEU A 45 -2.353 4.676 -7.292 1.00 44.03 H new ATOM 0 HD21 LEU A 45 -3.387 2.728 -9.442 1.00 72.21 H new ATOM 0 HD22 LEU A 45 -3.108 4.461 -9.732 1.00 72.21 H new ATOM 0 HD23 LEU A 45 -2.317 3.247 -10.765 1.00 72.21 H new ATOM 683 N SER A 46 -0.546 3.710 -12.281 1.00 33.32 N ATOM 684 CA SER A 46 -1.183 2.967 -13.362 1.00 53.31 C ATOM 685 C SER A 46 -0.139 2.385 -14.309 1.00 71.44 C ATOM 686 O SER A 46 -0.451 1.543 -15.151 1.00 23.44 O ATOM 687 CB SER A 46 -2.141 3.874 -14.136 1.00 14.13 C ATOM 688 OG SER A 46 -2.427 3.339 -15.416 1.00 54.33 O ATOM 0 H SER A 46 -0.585 4.724 -12.386 1.00 33.32 H new ATOM 0 HA SER A 46 -1.748 2.145 -12.922 1.00 53.31 H new ATOM 0 HB2 SER A 46 -3.067 3.995 -13.574 1.00 14.13 H new ATOM 0 HB3 SER A 46 -1.701 4.866 -14.243 1.00 14.13 H new ATOM 0 HG SER A 46 -2.109 2.413 -15.462 1.00 54.33 H new ATOM 694 N GLU A 47 1.102 2.841 -14.165 1.00 52.04 N ATOM 695 CA GLU A 47 2.191 2.366 -15.009 1.00 5.23 C ATOM 696 C GLU A 47 3.055 1.352 -14.263 1.00 40.45 C ATOM 697 O GLU A 47 3.903 0.685 -14.857 1.00 55.53 O ATOM 698 CB GLU A 47 3.054 3.541 -15.476 1.00 31.41 C ATOM 699 CG GLU A 47 2.627 4.114 -16.817 1.00 20.00 C ATOM 700 CD GLU A 47 3.721 4.931 -17.477 1.00 51.45 C ATOM 701 OE1 GLU A 47 4.595 4.332 -18.136 1.00 20.45 O ATOM 702 OE2 GLU A 47 3.700 6.172 -17.335 1.00 42.34 O ATOM 0 H GLU A 47 1.377 3.538 -13.473 1.00 52.04 H new ATOM 0 HA GLU A 47 1.755 1.876 -15.879 1.00 5.23 H new ATOM 0 HB2 GLU A 47 3.016 4.330 -14.725 1.00 31.41 H new ATOM 0 HB3 GLU A 47 4.092 3.214 -15.544 1.00 31.41 H new ATOM 0 HG2 GLU A 47 2.337 3.299 -17.480 1.00 20.00 H new ATOM 0 HG3 GLU A 47 1.746 4.740 -16.677 1.00 20.00 H new ATOM 709 N VAL A 48 2.833 1.243 -12.957 1.00 24.13 N ATOM 710 CA VAL A 48 3.590 0.312 -12.129 1.00 20.54 C ATOM 711 C VAL A 48 2.693 -0.797 -11.590 1.00 33.44 C ATOM 712 O VAL A 48 3.164 -1.887 -11.265 1.00 34.44 O ATOM 713 CB VAL A 48 4.264 1.031 -10.946 1.00 52.40 C ATOM 714 CG1 VAL A 48 5.191 2.129 -11.447 1.00 11.21 C ATOM 715 CG2 VAL A 48 3.216 1.598 -10.001 1.00 14.34 C ATOM 0 H VAL A 48 2.135 1.788 -12.450 1.00 24.13 H new ATOM 0 HA VAL A 48 4.360 -0.123 -12.766 1.00 20.54 H new ATOM 0 HB VAL A 48 4.863 0.305 -10.395 1.00 52.40 H new ATOM 0 HG11 VAL A 48 5.659 2.626 -10.597 1.00 11.21 H new ATOM 0 HG12 VAL A 48 5.962 1.693 -12.081 1.00 11.21 H new ATOM 0 HG13 VAL A 48 4.617 2.856 -12.022 1.00 11.21 H new ATOM 0 HG21 VAL A 48 3.710 2.103 -9.171 1.00 14.34 H new ATOM 0 HG22 VAL A 48 2.589 2.310 -10.538 1.00 14.34 H new ATOM 0 HG23 VAL A 48 2.597 0.788 -9.616 1.00 14.34 H new ATOM 725 N VAL A 49 1.398 -0.512 -11.499 1.00 31.32 N ATOM 726 CA VAL A 49 0.434 -1.486 -11.001 1.00 2.11 C ATOM 727 C VAL A 49 0.379 -2.715 -11.900 1.00 23.21 C ATOM 728 O VAL A 49 -0.126 -3.765 -11.504 1.00 25.54 O ATOM 729 CB VAL A 49 -0.977 -0.876 -10.898 1.00 34.23 C ATOM 730 CG1 VAL A 49 -1.471 -0.436 -12.268 1.00 22.31 C ATOM 731 CG2 VAL A 49 -1.942 -1.870 -10.268 1.00 42.20 C ATOM 0 H VAL A 49 0.992 0.386 -11.764 1.00 31.32 H new ATOM 0 HA VAL A 49 0.768 -1.782 -10.007 1.00 2.11 H new ATOM 0 HB VAL A 49 -0.927 0.004 -10.257 1.00 34.23 H new ATOM 0 HG11 VAL A 49 -2.469 -0.008 -12.175 1.00 22.31 H new ATOM 0 HG12 VAL A 49 -0.792 0.312 -12.677 1.00 22.31 H new ATOM 0 HG13 VAL A 49 -1.507 -1.297 -12.936 1.00 22.31 H new ATOM 0 HG21 VAL A 49 -2.934 -1.423 -10.203 1.00 42.20 H new ATOM 0 HG22 VAL A 49 -1.989 -2.770 -10.881 1.00 42.20 H new ATOM 0 HG23 VAL A 49 -1.595 -2.130 -9.268 1.00 42.20 H new ATOM 741 N ASP A 50 0.904 -2.577 -13.113 1.00 32.12 N ATOM 742 CA ASP A 50 0.917 -3.678 -14.070 1.00 23.32 C ATOM 743 C ASP A 50 1.829 -4.803 -13.590 1.00 74.23 C ATOM 744 O ASP A 50 1.519 -5.982 -13.766 1.00 64.41 O ATOM 745 CB ASP A 50 1.376 -3.183 -15.443 1.00 32.21 C ATOM 746 CG ASP A 50 0.886 -4.069 -16.571 1.00 23.15 C ATOM 747 OD1 ASP A 50 1.332 -5.234 -16.646 1.00 44.31 O ATOM 748 OD2 ASP A 50 0.059 -3.599 -17.379 1.00 2.22 O ATOM 0 H ASP A 50 1.326 -1.714 -13.457 1.00 32.12 H new ATOM 0 HA ASP A 50 -0.098 -4.067 -14.154 1.00 23.32 H new ATOM 0 HB2 ASP A 50 1.014 -2.167 -15.599 1.00 32.21 H new ATOM 0 HB3 ASP A 50 2.465 -3.140 -15.465 1.00 32.21 H new ATOM 753 N ARG A 51 2.953 -4.432 -12.987 1.00 11.15 N ATOM 754 CA ARG A 51 3.909 -5.410 -12.485 1.00 64.10 C ATOM 755 C ARG A 51 3.741 -5.613 -10.981 1.00 44.03 C ATOM 756 O ARG A 51 3.964 -6.708 -10.465 1.00 13.23 O ATOM 757 CB ARG A 51 5.339 -4.961 -12.792 1.00 41.35 C ATOM 758 CG ARG A 51 5.829 -3.832 -11.900 1.00 14.23 C ATOM 759 CD ARG A 51 6.570 -4.365 -10.684 1.00 51.10 C ATOM 760 NE ARG A 51 7.390 -3.336 -10.049 1.00 34.52 N ATOM 761 CZ ARG A 51 8.236 -3.581 -9.054 1.00 64.50 C ATOM 762 NH1 ARG A 51 8.374 -4.813 -8.585 1.00 33.44 N ATOM 763 NH2 ARG A 51 8.947 -2.592 -8.528 1.00 64.00 N ATOM 0 H ARG A 51 3.224 -3.461 -12.834 1.00 11.15 H new ATOM 0 HA ARG A 51 3.717 -6.359 -12.986 1.00 64.10 H new ATOM 0 HB2 ARG A 51 6.009 -5.814 -12.685 1.00 41.35 H new ATOM 0 HB3 ARG A 51 5.394 -4.641 -13.832 1.00 41.35 H new ATOM 0 HG2 ARG A 51 6.487 -3.176 -12.470 1.00 14.23 H new ATOM 0 HG3 ARG A 51 4.981 -3.229 -11.575 1.00 14.23 H new ATOM 0 HD2 ARG A 51 5.851 -4.752 -9.962 1.00 51.10 H new ATOM 0 HD3 ARG A 51 7.203 -5.200 -10.983 1.00 51.10 H new ATOM 0 HE ARG A 51 7.309 -2.377 -10.388 1.00 34.52 H new ATOM 0 HH11 ARG A 51 7.830 -5.576 -8.988 1.00 33.44 H new ATOM 0 HH12 ARG A 51 9.024 -4.998 -7.821 1.00 33.44 H new ATOM 0 HH21 ARG A 51 8.844 -1.643 -8.887 1.00 64.00 H new ATOM 0 HH22 ARG A 51 9.596 -2.781 -7.764 1.00 64.00 H new ATOM 777 N PHE A 52 3.348 -4.552 -10.286 1.00 44.54 N ATOM 778 CA PHE A 52 3.152 -4.613 -8.843 1.00 44.21 C ATOM 779 C PHE A 52 2.088 -5.645 -8.482 1.00 0.34 C ATOM 780 O PHE A 52 1.518 -6.296 -9.358 1.00 34.04 O ATOM 781 CB PHE A 52 2.750 -3.239 -8.303 1.00 11.43 C ATOM 782 CG PHE A 52 3.909 -2.433 -7.791 1.00 24.23 C ATOM 783 CD1 PHE A 52 4.636 -2.860 -6.690 1.00 71.35 C ATOM 784 CD2 PHE A 52 4.273 -1.247 -8.409 1.00 32.43 C ATOM 785 CE1 PHE A 52 5.704 -2.122 -6.217 1.00 71.42 C ATOM 786 CE2 PHE A 52 5.340 -0.505 -7.939 1.00 40.52 C ATOM 787 CZ PHE A 52 6.056 -0.942 -6.842 1.00 14.21 C ATOM 0 H PHE A 52 3.159 -3.639 -10.699 1.00 44.54 H new ATOM 0 HA PHE A 52 4.095 -4.914 -8.386 1.00 44.21 H new ATOM 0 HB2 PHE A 52 2.250 -2.679 -9.093 1.00 11.43 H new ATOM 0 HB3 PHE A 52 2.026 -3.371 -7.499 1.00 11.43 H new ATOM 0 HD1 PHE A 52 4.364 -3.781 -6.196 1.00 71.35 H new ATOM 0 HD2 PHE A 52 3.717 -0.899 -9.267 1.00 32.43 H new ATOM 0 HE1 PHE A 52 6.263 -2.467 -5.360 1.00 71.42 H new ATOM 0 HE2 PHE A 52 5.614 0.417 -8.430 1.00 40.52 H new ATOM 0 HZ PHE A 52 6.889 -0.362 -6.474 1.00 14.21 H new ATOM 797 N ASP A 53 1.827 -5.788 -7.188 1.00 21.45 N ATOM 798 CA ASP A 53 0.831 -6.740 -6.710 1.00 23.22 C ATOM 799 C ASP A 53 -0.325 -6.019 -6.023 1.00 22.43 C ATOM 800 O ASP A 53 -1.444 -5.990 -6.535 1.00 52.13 O ATOM 801 CB ASP A 53 1.472 -7.739 -5.744 1.00 53.53 C ATOM 802 CG ASP A 53 2.116 -8.907 -6.463 1.00 64.13 C ATOM 803 OD1 ASP A 53 1.470 -9.478 -7.366 1.00 11.41 O ATOM 804 OD2 ASP A 53 3.268 -9.252 -6.122 1.00 53.51 O ATOM 0 H ASP A 53 2.291 -5.257 -6.451 1.00 21.45 H new ATOM 0 HA ASP A 53 0.438 -7.280 -7.571 1.00 23.22 H new ATOM 0 HB2 ASP A 53 2.223 -7.227 -5.142 1.00 53.53 H new ATOM 0 HB3 ASP A 53 0.714 -8.113 -5.056 1.00 53.53 H new ATOM 809 N VAL A 54 -0.047 -5.441 -4.859 1.00 11.31 N ATOM 810 CA VAL A 54 -1.063 -4.719 -4.102 1.00 24.01 C ATOM 811 C VAL A 54 -0.809 -3.216 -4.134 1.00 24.22 C ATOM 812 O VAL A 54 0.308 -2.770 -4.396 1.00 4.04 O ATOM 813 CB VAL A 54 -1.111 -5.190 -2.636 1.00 65.40 C ATOM 814 CG1 VAL A 54 0.111 -4.695 -1.876 1.00 43.42 C ATOM 815 CG2 VAL A 54 -2.393 -4.720 -1.967 1.00 42.12 C ATOM 0 H VAL A 54 0.873 -5.459 -4.420 1.00 11.31 H new ATOM 0 HA VAL A 54 -2.021 -4.932 -4.576 1.00 24.01 H new ATOM 0 HB VAL A 54 -1.101 -6.280 -2.622 1.00 65.40 H new ATOM 0 HG11 VAL A 54 0.060 -5.037 -0.842 1.00 43.42 H new ATOM 0 HG12 VAL A 54 1.014 -5.087 -2.344 1.00 43.42 H new ATOM 0 HG13 VAL A 54 0.136 -3.605 -1.897 1.00 43.42 H new ATOM 0 HG21 VAL A 54 -2.410 -5.062 -0.932 1.00 42.12 H new ATOM 0 HG22 VAL A 54 -2.438 -3.631 -1.990 1.00 42.12 H new ATOM 0 HG23 VAL A 54 -3.252 -5.130 -2.498 1.00 42.12 H new ATOM 825 N VAL A 55 -1.852 -2.439 -3.863 1.00 73.20 N ATOM 826 CA VAL A 55 -1.742 -0.985 -3.858 1.00 75.23 C ATOM 827 C VAL A 55 -2.374 -0.391 -2.605 1.00 52.12 C ATOM 828 O VAL A 55 -3.351 -0.923 -2.076 1.00 22.04 O ATOM 829 CB VAL A 55 -2.413 -0.368 -5.101 1.00 11.44 C ATOM 830 CG1 VAL A 55 -2.122 1.123 -5.178 1.00 62.22 C ATOM 831 CG2 VAL A 55 -1.949 -1.077 -6.364 1.00 25.44 C ATOM 0 H VAL A 55 -2.784 -2.792 -3.644 1.00 73.20 H new ATOM 0 HA VAL A 55 -0.678 -0.747 -3.872 1.00 75.23 H new ATOM 0 HB VAL A 55 -3.492 -0.500 -5.015 1.00 11.44 H new ATOM 0 HG11 VAL A 55 -2.603 1.542 -6.061 1.00 62.22 H new ATOM 0 HG12 VAL A 55 -2.508 1.616 -4.286 1.00 62.22 H new ATOM 0 HG13 VAL A 55 -1.045 1.281 -5.242 1.00 62.22 H new ATOM 0 HG21 VAL A 55 -2.433 -0.628 -7.232 1.00 25.44 H new ATOM 0 HG22 VAL A 55 -0.868 -0.979 -6.460 1.00 25.44 H new ATOM 0 HG23 VAL A 55 -2.214 -2.133 -6.307 1.00 25.44 H new ATOM 841 N LEU A 56 -1.811 0.717 -2.134 1.00 71.10 N ATOM 842 CA LEU A 56 -2.319 1.386 -0.942 1.00 33.41 C ATOM 843 C LEU A 56 -2.320 2.900 -1.126 1.00 51.51 C ATOM 844 O LEU A 56 -1.491 3.449 -1.854 1.00 72.43 O ATOM 845 CB LEU A 56 -1.475 1.009 0.277 1.00 51.43 C ATOM 846 CG LEU A 56 -2.129 0.055 1.277 1.00 5.42 C ATOM 847 CD1 LEU A 56 -1.116 -0.960 1.786 1.00 43.14 C ATOM 848 CD2 LEU A 56 -2.737 0.831 2.436 1.00 4.53 C ATOM 0 H LEU A 56 -1.003 1.171 -2.560 1.00 71.10 H new ATOM 0 HA LEU A 56 -3.346 1.058 -0.781 1.00 33.41 H new ATOM 0 HB2 LEU A 56 -0.548 0.556 -0.074 1.00 51.43 H new ATOM 0 HB3 LEU A 56 -1.203 1.924 0.803 1.00 51.43 H new ATOM 0 HG LEU A 56 -2.928 -0.483 0.768 1.00 5.42 H new ATOM 0 HD11 LEU A 56 -1.599 -1.631 2.497 1.00 43.14 H new ATOM 0 HD12 LEU A 56 -0.727 -1.538 0.948 1.00 43.14 H new ATOM 0 HD13 LEU A 56 -0.295 -0.439 2.279 1.00 43.14 H new ATOM 0 HD21 LEU A 56 -3.198 0.136 3.137 1.00 4.53 H new ATOM 0 HD22 LEU A 56 -1.956 1.396 2.945 1.00 4.53 H new ATOM 0 HD23 LEU A 56 -3.493 1.518 2.057 1.00 4.53 H new ATOM 860 N LEU A 57 -3.253 3.571 -0.460 1.00 74.15 N ATOM 861 CA LEU A 57 -3.361 5.024 -0.548 1.00 31.54 C ATOM 862 C LEU A 57 -3.173 5.668 0.822 1.00 32.42 C ATOM 863 O LEU A 57 -3.420 5.041 1.852 1.00 35.13 O ATOM 864 CB LEU A 57 -4.720 5.420 -1.129 1.00 24.41 C ATOM 865 CG LEU A 57 -4.685 6.340 -2.349 1.00 14.14 C ATOM 866 CD1 LEU A 57 -6.056 6.407 -3.006 1.00 50.20 C ATOM 867 CD2 LEU A 57 -4.213 7.732 -1.954 1.00 24.44 C ATOM 0 H LEU A 57 -3.946 3.133 0.147 1.00 74.15 H new ATOM 0 HA LEU A 57 -2.572 5.383 -1.209 1.00 31.54 H new ATOM 0 HB2 LEU A 57 -5.256 4.510 -1.400 1.00 24.41 H new ATOM 0 HB3 LEU A 57 -5.299 5.910 -0.346 1.00 24.41 H new ATOM 0 HG LEU A 57 -3.978 5.929 -3.070 1.00 14.14 H new ATOM 0 HD11 LEU A 57 -6.012 7.066 -3.873 1.00 50.20 H new ATOM 0 HD12 LEU A 57 -6.356 5.409 -3.324 1.00 50.20 H new ATOM 0 HD13 LEU A 57 -6.783 6.794 -2.292 1.00 50.20 H new ATOM 0 HD21 LEU A 57 -4.194 8.373 -2.835 1.00 24.44 H new ATOM 0 HD22 LEU A 57 -4.895 8.151 -1.214 1.00 24.44 H new ATOM 0 HD23 LEU A 57 -3.211 7.670 -1.529 1.00 24.44 H new ATOM 879 N ALA A 58 -2.737 6.922 0.825 1.00 0.14 N ATOM 880 CA ALA A 58 -2.521 7.653 2.068 1.00 22.00 C ATOM 881 C ALA A 58 -3.790 8.374 2.510 1.00 70.40 C ATOM 882 O ALA A 58 -4.705 8.610 1.720 1.00 63.31 O ATOM 883 CB ALA A 58 -1.378 8.644 1.905 1.00 53.23 C ATOM 0 H ALA A 58 -2.526 7.454 -0.019 1.00 0.14 H new ATOM 0 HA ALA A 58 -2.256 6.933 2.842 1.00 22.00 H new ATOM 0 HB1 ALA A 58 -1.228 9.183 2.840 1.00 53.23 H new ATOM 0 HB2 ALA A 58 -0.466 8.107 1.645 1.00 53.23 H new ATOM 0 HB3 ALA A 58 -1.621 9.353 1.113 1.00 53.23 H new ATOM 889 N PRO A 59 -3.850 8.730 3.801 1.00 1.12 N ATOM 890 CA PRO A 59 -5.002 9.428 4.376 1.00 15.23 C ATOM 891 C PRO A 59 -5.122 10.863 3.874 1.00 73.10 C ATOM 892 O PRO A 59 -6.223 11.406 3.777 1.00 22.31 O ATOM 893 CB PRO A 59 -4.713 9.411 5.880 1.00 74.31 C ATOM 894 CG PRO A 59 -3.231 9.303 5.979 1.00 1.41 C ATOM 895 CD PRO A 59 -2.796 8.480 4.799 1.00 21.40 C ATOM 0 HA PRO A 59 -5.944 8.952 4.103 1.00 15.23 H new ATOM 0 HB2 PRO A 59 -5.077 10.318 6.363 1.00 74.31 H new ATOM 0 HB3 PRO A 59 -5.205 8.570 6.368 1.00 74.31 H new ATOM 0 HG2 PRO A 59 -2.766 10.289 5.960 1.00 1.41 H new ATOM 0 HG3 PRO A 59 -2.936 8.829 6.915 1.00 1.41 H new ATOM 0 HD2 PRO A 59 -1.816 8.788 4.434 1.00 21.40 H new ATOM 0 HD3 PRO A 59 -2.725 7.422 5.051 1.00 21.40 H new ATOM 903 N GLN A 60 -3.984 11.469 3.554 1.00 12.43 N ATOM 904 CA GLN A 60 -3.962 12.842 3.061 1.00 31.42 C ATOM 905 C GLN A 60 -4.169 12.880 1.550 1.00 11.42 C ATOM 906 O GLN A 60 -3.245 12.615 0.781 1.00 74.34 O ATOM 907 CB GLN A 60 -2.639 13.516 3.424 1.00 24.04 C ATOM 908 CG GLN A 60 -2.496 13.819 4.907 1.00 11.03 C ATOM 909 CD GLN A 60 -2.004 15.228 5.170 1.00 24.03 C ATOM 910 OE1 GLN A 60 -0.862 15.432 5.585 1.00 61.35 O ATOM 911 NE2 GLN A 60 -2.864 16.211 4.930 1.00 5.31 N ATOM 0 H GLN A 60 -3.065 11.032 3.627 1.00 12.43 H new ATOM 0 HA GLN A 60 -4.779 13.385 3.536 1.00 31.42 H new ATOM 0 HB2 GLN A 60 -1.816 12.873 3.112 1.00 24.04 H new ATOM 0 HB3 GLN A 60 -2.548 14.445 2.862 1.00 24.04 H new ATOM 0 HG2 GLN A 60 -3.459 13.677 5.397 1.00 11.03 H new ATOM 0 HG3 GLN A 60 -1.803 13.107 5.354 1.00 11.03 H new ATOM 0 HE21 GLN A 60 -3.800 15.997 4.587 1.00 5.31 H new ATOM 0 HE22 GLN A 60 -2.588 17.180 5.089 1.00 5.31 H new ATOM 920 N SER A 61 -5.386 13.212 1.133 1.00 3.31 N ATOM 921 CA SER A 61 -5.715 13.282 -0.286 1.00 61.45 C ATOM 922 C SER A 61 -7.063 13.965 -0.499 1.00 24.30 C ATOM 923 O SER A 61 -8.067 13.578 0.098 1.00 34.03 O ATOM 924 CB SER A 61 -5.740 11.878 -0.895 1.00 40.32 C ATOM 925 OG SER A 61 -4.595 11.650 -1.697 1.00 43.14 O ATOM 0 H SER A 61 -6.161 13.437 1.757 1.00 3.31 H new ATOM 0 HA SER A 61 -4.946 13.873 -0.783 1.00 61.45 H new ATOM 0 HB2 SER A 61 -5.785 11.134 -0.100 1.00 40.32 H new ATOM 0 HB3 SER A 61 -6.640 11.755 -1.497 1.00 40.32 H new ATOM 0 HG SER A 61 -3.790 11.893 -1.194 1.00 43.14 H new ATOM 931 N ARG A 62 -7.075 14.982 -1.353 1.00 61.35 N ATOM 932 CA ARG A 62 -8.298 15.720 -1.645 1.00 0.35 C ATOM 933 C ARG A 62 -9.029 15.113 -2.839 1.00 21.31 C ATOM 934 O ARG A 62 -10.130 14.579 -2.700 1.00 10.04 O ATOM 935 CB ARG A 62 -7.977 17.191 -1.924 1.00 63.32 C ATOM 936 CG ARG A 62 -9.203 18.032 -2.237 1.00 34.11 C ATOM 937 CD ARG A 62 -8.817 19.431 -2.692 1.00 53.31 C ATOM 938 NE ARG A 62 -8.905 19.578 -4.143 1.00 0.34 N ATOM 939 CZ ARG A 62 -8.586 20.695 -4.789 1.00 14.24 C ATOM 940 NH1 ARG A 62 -8.160 21.755 -4.116 1.00 54.31 N ATOM 941 NH2 ARG A 62 -8.694 20.752 -6.109 1.00 71.12 N ATOM 0 H ARG A 62 -6.252 15.314 -1.855 1.00 61.35 H new ATOM 0 HA ARG A 62 -8.948 15.655 -0.772 1.00 0.35 H new ATOM 0 HB2 ARG A 62 -7.468 17.614 -1.058 1.00 63.32 H new ATOM 0 HB3 ARG A 62 -7.282 17.250 -2.762 1.00 63.32 H new ATOM 0 HG2 ARG A 62 -9.791 17.545 -3.015 1.00 34.11 H new ATOM 0 HG3 ARG A 62 -9.836 18.098 -1.352 1.00 34.11 H new ATOM 0 HD2 ARG A 62 -9.470 20.161 -2.213 1.00 53.31 H new ATOM 0 HD3 ARG A 62 -7.800 19.651 -2.366 1.00 53.31 H new ATOM 0 HE ARG A 62 -9.229 18.780 -4.690 1.00 0.34 H new ATOM 0 HH11 ARG A 62 -8.076 21.714 -3.100 1.00 54.31 H new ATOM 0 HH12 ARG A 62 -7.916 22.611 -4.614 1.00 54.31 H new ATOM 0 HH21 ARG A 62 -9.022 19.938 -6.629 1.00 71.12 H new ATOM 0 HH22 ARG A 62 -8.449 21.609 -6.604 1.00 71.12 H new ATOM 955 N PHE A 63 -8.409 15.197 -4.011 1.00 50.34 N ATOM 956 CA PHE A 63 -9.001 14.657 -5.229 1.00 41.34 C ATOM 957 C PHE A 63 -8.309 13.361 -5.641 1.00 54.45 C ATOM 958 O PHE A 63 -8.907 12.508 -6.295 1.00 74.35 O ATOM 959 CB PHE A 63 -8.910 15.680 -6.363 1.00 4.11 C ATOM 960 CG PHE A 63 -10.240 16.027 -6.968 1.00 61.20 C ATOM 961 CD1 PHE A 63 -11.033 17.016 -6.410 1.00 10.44 C ATOM 962 CD2 PHE A 63 -10.697 15.363 -8.094 1.00 53.43 C ATOM 963 CE1 PHE A 63 -12.258 17.335 -6.963 1.00 13.12 C ATOM 964 CE2 PHE A 63 -11.922 15.678 -8.653 1.00 43.13 C ATOM 965 CZ PHE A 63 -12.703 16.667 -8.087 1.00 63.42 C ATOM 0 H PHE A 63 -7.497 15.634 -4.143 1.00 50.34 H new ATOM 0 HA PHE A 63 -10.050 14.440 -5.028 1.00 41.34 H new ATOM 0 HB2 PHE A 63 -8.444 16.590 -5.984 1.00 4.11 H new ATOM 0 HB3 PHE A 63 -8.257 15.288 -7.143 1.00 4.11 H new ATOM 0 HD1 PHE A 63 -10.690 17.544 -5.533 1.00 10.44 H new ATOM 0 HD2 PHE A 63 -10.089 14.590 -8.541 1.00 53.43 H new ATOM 0 HE1 PHE A 63 -12.868 18.107 -6.517 1.00 13.12 H new ATOM 0 HE2 PHE A 63 -12.268 15.152 -9.531 1.00 43.13 H new ATOM 0 HZ PHE A 63 -13.659 16.917 -8.522 1.00 63.42 H new ATOM 975 N ASN A 64 -7.046 13.222 -5.253 1.00 62.40 N ATOM 976 CA ASN A 64 -6.272 12.031 -5.584 1.00 31.35 C ATOM 977 C ASN A 64 -7.019 10.765 -5.173 1.00 12.11 C ATOM 978 O ASN A 64 -7.176 9.838 -5.967 1.00 2.41 O ATOM 979 CB ASN A 64 -4.907 12.077 -4.893 1.00 31.32 C ATOM 980 CG ASN A 64 -3.960 13.063 -5.549 1.00 72.33 C ATOM 981 OD1 ASN A 64 -4.367 13.865 -6.391 1.00 23.11 O ATOM 982 ND2 ASN A 64 -2.690 13.007 -5.166 1.00 55.32 N ATOM 0 H ASN A 64 -6.537 13.919 -4.709 1.00 62.40 H new ATOM 0 HA ASN A 64 -6.126 12.011 -6.664 1.00 31.35 H new ATOM 0 HB2 ASN A 64 -5.042 12.348 -3.846 1.00 31.32 H new ATOM 0 HB3 ASN A 64 -4.461 11.083 -4.910 1.00 31.32 H new ATOM 0 HD21 ASN A 64 -2.006 13.645 -5.573 1.00 55.32 H new ATOM 0 HD22 ASN A 64 -2.398 12.326 -4.465 1.00 55.32 H new ATOM 989 N LYS A 65 -7.481 10.735 -3.927 1.00 2.31 N ATOM 990 CA LYS A 65 -8.213 9.585 -3.410 1.00 51.44 C ATOM 991 C LYS A 65 -9.466 9.322 -4.239 1.00 74.13 C ATOM 992 O LYS A 65 -9.808 8.173 -4.518 1.00 70.53 O ATOM 993 CB LYS A 65 -8.596 9.815 -1.946 1.00 71.15 C ATOM 994 CG LYS A 65 -9.391 11.089 -1.718 1.00 30.13 C ATOM 995 CD LYS A 65 -10.874 10.799 -1.550 1.00 5.53 C ATOM 996 CE LYS A 65 -11.323 11.016 -0.113 1.00 74.12 C ATOM 997 NZ LYS A 65 -12.666 10.424 0.142 1.00 0.53 N ATOM 0 H LYS A 65 -7.361 11.494 -3.257 1.00 2.31 H new ATOM 0 HA LYS A 65 -7.564 8.712 -3.476 1.00 51.44 H new ATOM 0 HB2 LYS A 65 -9.180 8.965 -1.594 1.00 71.15 H new ATOM 0 HB3 LYS A 65 -7.689 9.850 -1.343 1.00 71.15 H new ATOM 0 HG2 LYS A 65 -9.016 11.599 -0.830 1.00 30.13 H new ATOM 0 HG3 LYS A 65 -9.245 11.766 -2.560 1.00 30.13 H new ATOM 0 HD2 LYS A 65 -11.450 11.444 -2.214 1.00 5.53 H new ATOM 0 HD3 LYS A 65 -11.081 9.771 -1.846 1.00 5.53 H new ATOM 0 HE2 LYS A 65 -10.595 10.572 0.566 1.00 74.12 H new ATOM 0 HE3 LYS A 65 -11.350 12.084 0.102 1.00 74.12 H new ATOM 0 HZ1 LYS A 65 -12.937 10.592 1.132 1.00 0.53 H new ATOM 0 HZ2 LYS A 65 -13.365 10.865 -0.489 1.00 0.53 H new ATOM 0 HZ3 LYS A 65 -12.634 9.400 -0.039 1.00 0.53 H new ATOM 1011 N LYS A 66 -10.147 10.393 -4.631 1.00 54.25 N ATOM 1012 CA LYS A 66 -11.361 10.278 -5.430 1.00 54.22 C ATOM 1013 C LYS A 66 -11.079 9.561 -6.747 1.00 14.12 C ATOM 1014 O LYS A 66 -11.724 8.564 -7.071 1.00 61.14 O ATOM 1015 CB LYS A 66 -11.947 11.665 -5.707 1.00 44.13 C ATOM 1016 CG LYS A 66 -13.447 11.747 -5.485 1.00 42.14 C ATOM 1017 CD LYS A 66 -13.838 13.041 -4.789 1.00 71.45 C ATOM 1018 CE LYS A 66 -14.143 12.811 -3.317 1.00 50.25 C ATOM 1019 NZ LYS A 66 -15.077 13.838 -2.778 1.00 1.03 N ATOM 0 H LYS A 66 -9.879 11.351 -4.408 1.00 54.25 H new ATOM 0 HA LYS A 66 -12.085 9.691 -4.865 1.00 54.22 H new ATOM 0 HB2 LYS A 66 -11.453 12.394 -5.065 1.00 44.13 H new ATOM 0 HB3 LYS A 66 -11.725 11.945 -6.737 1.00 44.13 H new ATOM 0 HG2 LYS A 66 -13.962 11.678 -6.443 1.00 42.14 H new ATOM 0 HG3 LYS A 66 -13.774 10.897 -4.886 1.00 42.14 H new ATOM 0 HD2 LYS A 66 -13.030 13.766 -4.885 1.00 71.45 H new ATOM 0 HD3 LYS A 66 -14.711 13.470 -5.280 1.00 71.45 H new ATOM 0 HE2 LYS A 66 -14.578 11.820 -3.187 1.00 50.25 H new ATOM 0 HE3 LYS A 66 -13.214 12.829 -2.746 1.00 50.25 H new ATOM 0 HZ1 LYS A 66 -15.260 13.647 -1.772 1.00 1.03 H new ATOM 0 HZ2 LYS A 66 -14.651 14.782 -2.879 1.00 1.03 H new ATOM 0 HZ3 LYS A 66 -15.973 13.804 -3.306 1.00 1.03 H new ATOM 1033 N ARG A 67 -10.113 10.075 -7.501 1.00 51.11 N ATOM 1034 CA ARG A 67 -9.747 9.484 -8.782 1.00 73.10 C ATOM 1035 C ARG A 67 -9.205 8.070 -8.593 1.00 1.34 C ATOM 1036 O ARG A 67 -9.602 7.141 -9.298 1.00 44.41 O ATOM 1037 CB ARG A 67 -8.704 10.351 -9.489 1.00 22.24 C ATOM 1038 CG ARG A 67 -9.222 11.723 -9.888 1.00 14.33 C ATOM 1039 CD ARG A 67 -10.278 11.624 -10.979 1.00 24.25 C ATOM 1040 NE ARG A 67 -10.668 12.938 -11.482 1.00 72.14 N ATOM 1041 CZ ARG A 67 -11.521 13.117 -12.485 1.00 72.40 C ATOM 1042 NH1 ARG A 67 -12.069 12.071 -13.088 1.00 34.44 N ATOM 1043 NH2 ARG A 67 -11.827 14.344 -12.887 1.00 64.14 N ATOM 0 H ARG A 67 -9.570 10.900 -7.247 1.00 51.11 H new ATOM 0 HA ARG A 67 -10.644 9.432 -9.399 1.00 73.10 H new ATOM 0 HB2 ARG A 67 -7.842 10.474 -8.834 1.00 22.24 H new ATOM 0 HB3 ARG A 67 -8.355 9.830 -10.381 1.00 22.24 H new ATOM 0 HG2 ARG A 67 -9.644 12.222 -9.016 1.00 14.33 H new ATOM 0 HG3 ARG A 67 -8.393 12.339 -10.237 1.00 14.33 H new ATOM 0 HD2 ARG A 67 -9.894 11.020 -11.801 1.00 24.25 H new ATOM 0 HD3 ARG A 67 -11.156 11.110 -10.588 1.00 24.25 H new ATOM 0 HE ARG A 67 -10.264 13.763 -11.039 1.00 72.14 H new ATOM 0 HH11 ARG A 67 -11.836 11.126 -12.782 1.00 34.44 H new ATOM 0 HH12 ARG A 67 -12.724 12.211 -13.858 1.00 34.44 H new ATOM 0 HH21 ARG A 67 -11.407 15.151 -12.426 1.00 64.14 H new ATOM 0 HH22 ARG A 67 -12.482 14.480 -13.657 1.00 64.14 H new ATOM 1057 N LEU A 68 -8.296 7.914 -7.637 1.00 0.20 N ATOM 1058 CA LEU A 68 -7.699 6.613 -7.355 1.00 5.05 C ATOM 1059 C LEU A 68 -8.774 5.548 -7.172 1.00 62.30 C ATOM 1060 O LEU A 68 -8.855 4.595 -7.948 1.00 11.33 O ATOM 1061 CB LEU A 68 -6.826 6.693 -6.100 1.00 33.00 C ATOM 1062 CG LEU A 68 -5.317 6.759 -6.336 1.00 23.52 C ATOM 1063 CD1 LEU A 68 -4.803 5.436 -6.883 1.00 20.33 C ATOM 1064 CD2 LEU A 68 -4.975 7.899 -7.284 1.00 63.52 C ATOM 0 H LEU A 68 -7.956 8.671 -7.044 1.00 0.20 H new ATOM 0 HA LEU A 68 -7.078 6.333 -8.206 1.00 5.05 H new ATOM 0 HB2 LEU A 68 -7.123 7.573 -5.530 1.00 33.00 H new ATOM 0 HB3 LEU A 68 -7.039 5.824 -5.478 1.00 33.00 H new ATOM 0 HG LEU A 68 -4.827 6.948 -5.381 1.00 23.52 H new ATOM 0 HD11 LEU A 68 -3.727 5.502 -7.045 1.00 20.33 H new ATOM 0 HD12 LEU A 68 -5.014 4.640 -6.169 1.00 20.33 H new ATOM 0 HD13 LEU A 68 -5.299 5.216 -7.828 1.00 20.33 H new ATOM 0 HD21 LEU A 68 -3.897 7.931 -7.441 1.00 63.52 H new ATOM 0 HD22 LEU A 68 -5.476 7.741 -8.239 1.00 63.52 H new ATOM 0 HD23 LEU A 68 -5.307 8.843 -6.852 1.00 63.52 H new ATOM 1076 N GLU A 69 -9.600 5.717 -6.145 1.00 24.05 N ATOM 1077 CA GLU A 69 -10.672 4.769 -5.862 1.00 54.01 C ATOM 1078 C GLU A 69 -11.616 4.645 -7.055 1.00 41.43 C ATOM 1079 O GLU A 69 -12.087 3.555 -7.374 1.00 72.14 O ATOM 1080 CB GLU A 69 -11.455 5.205 -4.622 1.00 45.12 C ATOM 1081 CG GLU A 69 -10.922 4.614 -3.328 1.00 30.35 C ATOM 1082 CD GLU A 69 -11.679 3.372 -2.898 1.00 23.03 C ATOM 1083 OE1 GLU A 69 -12.755 3.516 -2.281 1.00 64.10 O ATOM 1084 OE2 GLU A 69 -11.195 2.255 -3.179 1.00 41.35 O ATOM 0 H GLU A 69 -9.548 6.501 -5.495 1.00 24.05 H new ATOM 0 HA GLU A 69 -10.221 3.795 -5.674 1.00 54.01 H new ATOM 0 HB2 GLU A 69 -11.432 6.292 -4.552 1.00 45.12 H new ATOM 0 HB3 GLU A 69 -12.499 4.915 -4.741 1.00 45.12 H new ATOM 0 HG2 GLU A 69 -9.868 4.367 -3.453 1.00 30.35 H new ATOM 0 HG3 GLU A 69 -10.983 5.363 -2.539 1.00 30.35 H new ATOM 1091 N GLU A 70 -11.886 5.771 -7.707 1.00 54.02 N ATOM 1092 CA GLU A 70 -12.775 5.789 -8.864 1.00 15.01 C ATOM 1093 C GLU A 70 -12.201 4.952 -10.003 1.00 52.02 C ATOM 1094 O GLU A 70 -12.941 4.438 -10.843 1.00 21.41 O ATOM 1095 CB GLU A 70 -13.005 7.226 -9.336 1.00 63.12 C ATOM 1096 CG GLU A 70 -14.117 7.943 -8.589 1.00 23.33 C ATOM 1097 CD GLU A 70 -15.495 7.590 -9.115 1.00 30.05 C ATOM 1098 OE1 GLU A 70 -16.009 6.510 -8.756 1.00 22.20 O ATOM 1099 OE2 GLU A 70 -16.059 8.396 -9.883 1.00 60.34 O ATOM 0 H GLU A 70 -11.503 6.682 -7.455 1.00 54.02 H new ATOM 0 HA GLU A 70 -13.730 5.357 -8.564 1.00 15.01 H new ATOM 0 HB2 GLU A 70 -12.079 7.790 -9.220 1.00 63.12 H new ATOM 0 HB3 GLU A 70 -13.241 7.216 -10.400 1.00 63.12 H new ATOM 0 HG2 GLU A 70 -14.060 7.690 -7.530 1.00 23.33 H new ATOM 0 HG3 GLU A 70 -13.967 9.020 -8.668 1.00 23.33 H new ATOM 1106 N ILE A 71 -10.879 4.821 -10.026 1.00 52.21 N ATOM 1107 CA ILE A 71 -10.206 4.047 -11.062 1.00 11.40 C ATOM 1108 C ILE A 71 -10.006 2.600 -10.624 1.00 73.33 C ATOM 1109 O ILE A 71 -10.062 1.679 -11.440 1.00 14.33 O ATOM 1110 CB ILE A 71 -8.838 4.657 -11.420 1.00 71.24 C ATOM 1111 CG1 ILE A 71 -9.011 6.087 -11.931 1.00 43.43 C ATOM 1112 CG2 ILE A 71 -8.132 3.798 -12.460 1.00 13.52 C ATOM 1113 CD1 ILE A 71 -7.845 6.993 -11.600 1.00 52.31 C ATOM 0 H ILE A 71 -10.253 5.241 -9.339 1.00 52.21 H new ATOM 0 HA ILE A 71 -10.848 4.072 -11.943 1.00 11.40 H new ATOM 0 HB ILE A 71 -8.222 4.685 -10.521 1.00 71.24 H new ATOM 0 HG12 ILE A 71 -9.147 6.064 -13.012 1.00 43.43 H new ATOM 0 HG13 ILE A 71 -9.921 6.509 -11.504 1.00 43.43 H new ATOM 0 HG21 ILE A 71 -7.166 4.241 -12.703 1.00 13.52 H new ATOM 0 HG22 ILE A 71 -7.981 2.795 -12.061 1.00 13.52 H new ATOM 0 HG23 ILE A 71 -8.743 3.742 -13.361 1.00 13.52 H new ATOM 0 HD11 ILE A 71 -8.037 7.991 -11.993 1.00 52.31 H new ATOM 0 HD12 ILE A 71 -7.722 7.047 -10.518 1.00 52.31 H new ATOM 0 HD13 ILE A 71 -6.936 6.595 -12.050 1.00 52.31 H new ATOM 1125 N THR A 72 -9.775 2.405 -9.329 1.00 54.41 N ATOM 1126 CA THR A 72 -9.569 1.070 -8.783 1.00 25.13 C ATOM 1127 C THR A 72 -10.847 0.242 -8.855 1.00 4.24 C ATOM 1128 O THR A 72 -10.804 -0.964 -9.098 1.00 13.31 O ATOM 1129 CB THR A 72 -9.091 1.131 -7.320 1.00 11.04 C ATOM 1130 OG1 THR A 72 -10.128 1.662 -6.487 1.00 15.21 O ATOM 1131 CG2 THR A 72 -7.842 1.989 -7.192 1.00 71.31 C ATOM 0 H THR A 72 -9.726 3.155 -8.639 1.00 54.41 H new ATOM 0 HA THR A 72 -8.799 0.595 -9.390 1.00 25.13 H new ATOM 0 HB THR A 72 -8.850 0.118 -6.999 1.00 11.04 H new ATOM 0 HG1 THR A 72 -10.712 2.240 -7.021 1.00 15.21 H new ATOM 0 HG21 THR A 72 -7.525 2.016 -6.150 1.00 71.31 H new ATOM 0 HG22 THR A 72 -7.045 1.565 -7.803 1.00 71.31 H new ATOM 0 HG23 THR A 72 -8.060 3.002 -7.531 1.00 71.31 H new ATOM 1139 N LYS A 73 -11.982 0.897 -8.642 1.00 55.30 N ATOM 1140 CA LYS A 73 -13.274 0.222 -8.685 1.00 13.12 C ATOM 1141 C LYS A 73 -13.428 -0.578 -9.975 1.00 30.45 C ATOM 1142 O LYS A 73 -13.582 -1.800 -9.960 1.00 25.45 O ATOM 1143 CB LYS A 73 -14.410 1.242 -8.568 1.00 72.14 C ATOM 1144 CG LYS A 73 -15.228 1.097 -7.297 1.00 13.53 C ATOM 1145 CD LYS A 73 -16.684 1.472 -7.525 1.00 21.03 C ATOM 1146 CE LYS A 73 -17.054 2.746 -6.781 1.00 64.32 C ATOM 1147 NZ LYS A 73 -16.457 3.953 -7.416 1.00 55.45 N ATOM 0 H LYS A 73 -12.034 1.895 -8.438 1.00 55.30 H new ATOM 0 HA LYS A 73 -13.323 -0.467 -7.842 1.00 13.12 H new ATOM 0 HB2 LYS A 73 -13.990 2.247 -8.607 1.00 72.14 H new ATOM 0 HB3 LYS A 73 -15.070 1.138 -9.429 1.00 72.14 H new ATOM 0 HG2 LYS A 73 -15.168 0.069 -6.940 1.00 13.53 H new ATOM 0 HG3 LYS A 73 -14.806 1.731 -6.517 1.00 13.53 H new ATOM 0 HD2 LYS A 73 -16.863 1.607 -8.592 1.00 21.03 H new ATOM 0 HD3 LYS A 73 -17.327 0.656 -7.194 1.00 21.03 H new ATOM 0 HE2 LYS A 73 -18.139 2.849 -6.754 1.00 64.32 H new ATOM 0 HE3 LYS A 73 -16.715 2.674 -5.747 1.00 64.32 H new ATOM 0 HZ1 LYS A 73 -16.733 4.800 -6.879 1.00 55.45 H new ATOM 0 HZ2 LYS A 73 -15.421 3.867 -7.419 1.00 55.45 H new ATOM 0 HZ3 LYS A 73 -16.800 4.036 -8.394 1.00 55.45 H new ATOM 1161 N PRO A 74 -13.383 0.122 -11.116 1.00 42.44 N ATOM 1162 CA PRO A 74 -13.513 -0.504 -12.436 1.00 43.11 C ATOM 1163 C PRO A 74 -12.299 -1.353 -12.795 1.00 74.44 C ATOM 1164 O PRO A 74 -12.428 -2.406 -13.423 1.00 14.44 O ATOM 1165 CB PRO A 74 -13.630 0.691 -13.386 1.00 62.31 C ATOM 1166 CG PRO A 74 -12.951 1.809 -12.674 1.00 24.04 C ATOM 1167 CD PRO A 74 -13.203 1.581 -11.209 1.00 64.11 C ATOM 0 HA PRO A 74 -14.362 -1.186 -12.482 1.00 43.11 H new ATOM 0 HB2 PRO A 74 -13.152 0.484 -14.344 1.00 62.31 H new ATOM 0 HB3 PRO A 74 -14.673 0.930 -13.595 1.00 62.31 H new ATOM 0 HG2 PRO A 74 -11.883 1.817 -12.890 1.00 24.04 H new ATOM 0 HG3 PRO A 74 -13.348 2.773 -12.993 1.00 24.04 H new ATOM 0 HD2 PRO A 74 -12.366 1.922 -10.600 1.00 64.11 H new ATOM 0 HD3 PRO A 74 -14.087 2.118 -10.865 1.00 64.11 H new ATOM 1175 N LYS A 75 -11.119 -0.892 -12.395 1.00 75.20 N ATOM 1176 CA LYS A 75 -9.882 -1.610 -12.674 1.00 30.43 C ATOM 1177 C LYS A 75 -9.860 -2.956 -11.956 1.00 54.12 C ATOM 1178 O LYS A 75 -9.177 -3.887 -12.381 1.00 41.43 O ATOM 1179 CB LYS A 75 -8.674 -0.773 -12.246 1.00 12.04 C ATOM 1180 CG LYS A 75 -8.286 0.295 -13.254 1.00 21.20 C ATOM 1181 CD LYS A 75 -7.560 -0.304 -14.447 1.00 11.02 C ATOM 1182 CE LYS A 75 -6.065 -0.417 -14.191 1.00 15.23 C ATOM 1183 NZ LYS A 75 -5.691 -1.765 -13.681 1.00 13.23 N ATOM 0 H LYS A 75 -10.994 -0.023 -11.876 1.00 75.20 H new ATOM 0 HA LYS A 75 -9.830 -1.789 -13.748 1.00 30.43 H new ATOM 0 HB2 LYS A 75 -8.893 -0.296 -11.290 1.00 12.04 H new ATOM 0 HB3 LYS A 75 -7.823 -1.435 -12.085 1.00 12.04 H new ATOM 0 HG2 LYS A 75 -9.180 0.817 -13.595 1.00 21.20 H new ATOM 0 HG3 LYS A 75 -7.648 1.036 -12.773 1.00 21.20 H new ATOM 0 HD2 LYS A 75 -7.968 -1.291 -14.665 1.00 11.02 H new ATOM 0 HD3 LYS A 75 -7.734 0.314 -15.328 1.00 11.02 H new ATOM 0 HE2 LYS A 75 -5.522 -0.214 -15.114 1.00 15.23 H new ATOM 0 HE3 LYS A 75 -5.762 0.342 -13.469 1.00 15.23 H new ATOM 0 HZ1 LYS A 75 -4.717 -1.988 -13.970 1.00 13.23 H new ATOM 0 HZ2 LYS A 75 -5.754 -1.773 -12.643 1.00 13.23 H new ATOM 0 HZ3 LYS A 75 -6.340 -2.477 -14.073 1.00 13.23 H new ATOM 1197 N GLY A 76 -10.616 -3.052 -10.866 1.00 61.34 N ATOM 1198 CA GLY A 76 -10.670 -4.289 -10.108 1.00 31.31 C ATOM 1199 C GLY A 76 -9.309 -4.713 -9.592 1.00 63.55 C ATOM 1200 O GLY A 76 -8.791 -5.762 -9.978 1.00 71.20 O ATOM 0 H GLY A 76 -11.191 -2.296 -10.495 1.00 61.34 H new ATOM 0 HA2 GLY A 76 -11.352 -4.166 -9.267 1.00 31.31 H new ATOM 0 HA3 GLY A 76 -11.079 -5.080 -10.737 1.00 31.31 H new ATOM 1204 N ILE A 77 -8.728 -3.897 -8.721 1.00 44.21 N ATOM 1205 CA ILE A 77 -7.418 -4.193 -8.152 1.00 50.55 C ATOM 1206 C ILE A 77 -7.437 -4.067 -6.633 1.00 45.31 C ATOM 1207 O ILE A 77 -8.245 -3.339 -6.056 1.00 34.54 O ATOM 1208 CB ILE A 77 -6.333 -3.259 -8.720 1.00 52.55 C ATOM 1209 CG1 ILE A 77 -6.766 -1.798 -8.587 1.00 13.30 C ATOM 1210 CG2 ILE A 77 -6.049 -3.601 -10.176 1.00 33.15 C ATOM 1211 CD1 ILE A 77 -5.804 -0.954 -7.780 1.00 33.35 C ATOM 0 H ILE A 77 -9.143 -3.025 -8.393 1.00 44.21 H new ATOM 0 HA ILE A 77 -7.180 -5.221 -8.426 1.00 50.55 H new ATOM 0 HB ILE A 77 -5.417 -3.401 -8.147 1.00 52.55 H new ATOM 0 HG12 ILE A 77 -6.869 -1.366 -9.582 1.00 13.30 H new ATOM 0 HG13 ILE A 77 -7.750 -1.760 -8.120 1.00 13.30 H new ATOM 0 HG21 ILE A 77 -5.280 -2.932 -10.564 1.00 33.15 H new ATOM 0 HG22 ILE A 77 -5.703 -4.632 -10.247 1.00 33.15 H new ATOM 0 HG23 ILE A 77 -6.961 -3.484 -10.762 1.00 33.15 H new ATOM 0 HD11 ILE A 77 -6.174 0.070 -7.727 1.00 33.35 H new ATOM 0 HD12 ILE A 77 -5.719 -1.362 -6.773 1.00 33.35 H new ATOM 0 HD13 ILE A 77 -4.824 -0.961 -8.258 1.00 33.35 H new ATOM 1223 N PRO A 78 -6.523 -4.789 -5.968 1.00 11.52 N ATOM 1224 CA PRO A 78 -6.413 -4.773 -4.506 1.00 23.00 C ATOM 1225 C PRO A 78 -5.887 -3.442 -3.979 1.00 41.11 C ATOM 1226 O PRO A 78 -4.677 -3.243 -3.867 1.00 13.14 O ATOM 1227 CB PRO A 78 -5.414 -5.896 -4.214 1.00 42.40 C ATOM 1228 CG PRO A 78 -4.601 -6.012 -5.456 1.00 21.30 C ATOM 1229 CD PRO A 78 -5.528 -5.677 -6.592 1.00 50.21 C ATOM 0 HA PRO A 78 -7.381 -4.908 -4.023 1.00 23.00 H new ATOM 0 HB2 PRO A 78 -4.790 -5.657 -3.353 1.00 42.40 H new ATOM 0 HB3 PRO A 78 -5.925 -6.831 -3.987 1.00 42.40 H new ATOM 0 HG2 PRO A 78 -3.752 -5.329 -5.431 1.00 21.30 H new ATOM 0 HG3 PRO A 78 -4.198 -7.019 -5.566 1.00 21.30 H new ATOM 0 HD2 PRO A 78 -5.002 -5.181 -7.407 1.00 50.21 H new ATOM 0 HD3 PRO A 78 -5.992 -6.571 -7.009 1.00 50.21 H new ATOM 1237 N ILE A 79 -6.803 -2.535 -3.658 1.00 3.23 N ATOM 1238 CA ILE A 79 -6.430 -1.223 -3.141 1.00 75.14 C ATOM 1239 C ILE A 79 -6.889 -1.051 -1.697 1.00 52.54 C ATOM 1240 O ILE A 79 -8.025 -1.376 -1.354 1.00 64.11 O ATOM 1241 CB ILE A 79 -7.028 -0.091 -3.997 1.00 34.22 C ATOM 1242 CG1 ILE A 79 -6.471 1.263 -3.551 1.00 13.24 C ATOM 1243 CG2 ILE A 79 -8.546 -0.102 -3.904 1.00 31.21 C ATOM 1244 CD1 ILE A 79 -5.115 1.582 -4.140 1.00 72.30 C ATOM 0 H ILE A 79 -7.808 -2.684 -3.746 1.00 3.23 H new ATOM 0 HA ILE A 79 -5.342 -1.164 -3.183 1.00 75.14 H new ATOM 0 HB ILE A 79 -6.746 -0.254 -5.037 1.00 34.22 H new ATOM 0 HG12 ILE A 79 -7.174 2.047 -3.833 1.00 13.24 H new ATOM 0 HG13 ILE A 79 -6.398 1.276 -2.464 1.00 13.24 H new ATOM 0 HG21 ILE A 79 -8.954 0.704 -4.514 1.00 31.21 H new ATOM 0 HG22 ILE A 79 -8.926 -1.058 -4.264 1.00 31.21 H new ATOM 0 HG23 ILE A 79 -8.848 0.040 -2.866 1.00 31.21 H new ATOM 0 HD11 ILE A 79 -4.782 2.556 -3.781 1.00 72.30 H new ATOM 0 HD12 ILE A 79 -4.398 0.819 -3.837 1.00 72.30 H new ATOM 0 HD13 ILE A 79 -5.186 1.601 -5.228 1.00 72.30 H new ATOM 1256 N GLU A 80 -5.998 -0.535 -0.856 1.00 64.12 N ATOM 1257 CA GLU A 80 -6.312 -0.319 0.550 1.00 14.43 C ATOM 1258 C GLU A 80 -5.973 1.109 0.970 1.00 30.15 C ATOM 1259 O GLU A 80 -5.225 1.807 0.286 1.00 40.33 O ATOM 1260 CB GLU A 80 -5.548 -1.314 1.426 1.00 51.11 C ATOM 1261 CG GLU A 80 -6.380 -2.510 1.857 1.00 53.14 C ATOM 1262 CD GLU A 80 -7.421 -2.152 2.899 1.00 14.13 C ATOM 1263 OE1 GLU A 80 -7.622 -0.945 3.147 1.00 13.33 O ATOM 1264 OE2 GLU A 80 -8.036 -3.079 3.467 1.00 4.35 O ATOM 0 H GLU A 80 -5.053 -0.259 -1.125 1.00 64.12 H new ATOM 0 HA GLU A 80 -7.382 -0.475 0.684 1.00 14.43 H new ATOM 0 HB2 GLU A 80 -4.673 -1.668 0.881 1.00 51.11 H new ATOM 0 HB3 GLU A 80 -5.183 -0.798 2.314 1.00 51.11 H new ATOM 0 HG2 GLU A 80 -6.876 -2.936 0.985 1.00 53.14 H new ATOM 0 HG3 GLU A 80 -5.721 -3.281 2.257 1.00 53.14 H new ATOM 1271 N ILE A 81 -6.530 1.535 2.099 1.00 52.52 N ATOM 1272 CA ILE A 81 -6.287 2.878 2.609 1.00 1.34 C ATOM 1273 C ILE A 81 -5.982 2.852 4.104 1.00 61.42 C ATOM 1274 O ILE A 81 -6.630 2.134 4.867 1.00 13.53 O ATOM 1275 CB ILE A 81 -7.494 3.802 2.360 1.00 1.32 C ATOM 1276 CG1 ILE A 81 -7.799 3.886 0.864 1.00 54.33 C ATOM 1277 CG2 ILE A 81 -7.226 5.188 2.930 1.00 20.34 C ATOM 1278 CD1 ILE A 81 -9.213 3.481 0.512 1.00 40.12 C ATOM 0 H ILE A 81 -7.152 0.970 2.677 1.00 52.52 H new ATOM 0 HA ILE A 81 -5.423 3.268 2.070 1.00 1.34 H new ATOM 0 HB ILE A 81 -8.364 3.384 2.866 1.00 1.32 H new ATOM 0 HG12 ILE A 81 -7.627 4.907 0.523 1.00 54.33 H new ATOM 0 HG13 ILE A 81 -7.101 3.247 0.323 1.00 54.33 H new ATOM 0 HG21 ILE A 81 -8.088 5.830 2.746 1.00 20.34 H new ATOM 0 HG22 ILE A 81 -7.052 5.113 4.003 1.00 20.34 H new ATOM 0 HG23 ILE A 81 -6.346 5.615 2.449 1.00 20.34 H new ATOM 0 HD11 ILE A 81 -9.358 3.565 -0.565 1.00 40.12 H new ATOM 0 HD12 ILE A 81 -9.384 2.450 0.822 1.00 40.12 H new ATOM 0 HD13 ILE A 81 -9.917 4.136 1.025 1.00 40.12 H new ATOM 1290 N ILE A 82 -4.993 3.638 4.515 1.00 45.15 N ATOM 1291 CA ILE A 82 -4.603 3.706 5.917 1.00 32.53 C ATOM 1292 C ILE A 82 -5.456 4.717 6.675 1.00 1.52 C ATOM 1293 O ILE A 82 -5.866 5.738 6.123 1.00 3.10 O ATOM 1294 CB ILE A 82 -3.119 4.085 6.072 1.00 71.44 C ATOM 1295 CG1 ILE A 82 -2.248 3.196 5.181 1.00 31.30 C ATOM 1296 CG2 ILE A 82 -2.691 3.966 7.528 1.00 61.13 C ATOM 1297 CD1 ILE A 82 -0.782 3.569 5.205 1.00 22.14 C ATOM 0 H ILE A 82 -4.447 4.237 3.896 1.00 45.15 H new ATOM 0 HA ILE A 82 -4.761 2.712 6.337 1.00 32.53 H new ATOM 0 HB ILE A 82 -2.989 5.121 5.759 1.00 71.44 H new ATOM 0 HG12 ILE A 82 -2.356 2.159 5.499 1.00 31.30 H new ATOM 0 HG13 ILE A 82 -2.613 3.254 4.156 1.00 31.30 H new ATOM 0 HG21 ILE A 82 -1.639 4.237 7.621 1.00 61.13 H new ATOM 0 HG22 ILE A 82 -3.294 4.636 8.141 1.00 61.13 H new ATOM 0 HG23 ILE A 82 -2.832 2.939 7.866 1.00 61.13 H new ATOM 0 HD11 ILE A 82 -0.225 2.898 4.551 1.00 22.14 H new ATOM 0 HD12 ILE A 82 -0.662 4.595 4.858 1.00 22.14 H new ATOM 0 HD13 ILE A 82 -0.401 3.483 6.223 1.00 22.14 H new ATOM 1309 N ASN A 83 -5.719 4.428 7.945 1.00 21.23 N ATOM 1310 CA ASN A 83 -6.522 5.314 8.782 1.00 72.23 C ATOM 1311 C ASN A 83 -5.673 6.451 9.342 1.00 74.34 C ATOM 1312 O ASN A 83 -4.473 6.292 9.568 1.00 14.01 O ATOM 1313 CB ASN A 83 -7.161 4.526 9.927 1.00 2.53 C ATOM 1314 CG ASN A 83 -8.502 3.931 9.543 1.00 2.32 C ATOM 1315 OD1 ASN A 83 -8.602 2.742 9.244 1.00 22.11 O ATOM 1316 ND2 ASN A 83 -9.540 4.760 9.551 1.00 64.41 N ATOM 0 H ASN A 83 -5.388 3.587 8.418 1.00 21.23 H new ATOM 0 HA ASN A 83 -7.309 5.744 8.163 1.00 72.23 H new ATOM 0 HB2 ASN A 83 -6.487 3.727 10.235 1.00 2.53 H new ATOM 0 HB3 ASN A 83 -7.291 5.182 10.788 1.00 2.53 H new ATOM 0 HD21 ASN A 83 -10.468 4.418 9.302 1.00 64.41 H new ATOM 0 HD22 ASN A 83 -9.409 5.739 9.806 1.00 64.41 H new ATOM 1323 N THR A 84 -6.305 7.600 9.563 1.00 20.02 N ATOM 1324 CA THR A 84 -5.609 8.764 10.095 1.00 5.15 C ATOM 1325 C THR A 84 -4.836 8.412 11.361 1.00 33.24 C ATOM 1326 O THR A 84 -3.774 8.975 11.630 1.00 75.14 O ATOM 1327 CB THR A 84 -6.589 9.910 10.408 1.00 11.24 C ATOM 1328 OG1 THR A 84 -7.938 9.452 10.270 1.00 52.24 O ATOM 1329 CG2 THR A 84 -6.352 11.094 9.481 1.00 24.42 C ATOM 0 H THR A 84 -7.298 7.749 9.382 1.00 20.02 H new ATOM 0 HA THR A 84 -4.910 9.093 9.326 1.00 5.15 H new ATOM 0 HB THR A 84 -6.419 10.234 11.435 1.00 11.24 H new ATOM 0 HG1 THR A 84 -8.192 9.463 9.324 1.00 52.24 H new ATOM 0 HG21 THR A 84 -7.056 11.891 9.721 1.00 24.42 H new ATOM 0 HG22 THR A 84 -5.333 11.459 9.610 1.00 24.42 H new ATOM 0 HG23 THR A 84 -6.497 10.781 8.447 1.00 24.42 H new ATOM 1337 N ILE A 85 -5.376 7.477 12.137 1.00 32.12 N ATOM 1338 CA ILE A 85 -4.736 7.049 13.374 1.00 22.21 C ATOM 1339 C ILE A 85 -3.488 6.221 13.090 1.00 25.20 C ATOM 1340 O ILE A 85 -2.379 6.598 13.470 1.00 54.51 O ATOM 1341 CB ILE A 85 -5.697 6.223 14.250 1.00 74.05 C ATOM 1342 CG1 ILE A 85 -7.041 6.941 14.388 1.00 51.40 C ATOM 1343 CG2 ILE A 85 -5.083 5.969 15.617 1.00 33.32 C ATOM 1344 CD1 ILE A 85 -8.185 6.223 13.705 1.00 24.33 C ATOM 0 H ILE A 85 -6.255 7.002 11.930 1.00 32.12 H new ATOM 0 HA ILE A 85 -4.454 7.954 13.912 1.00 22.21 H new ATOM 0 HB ILE A 85 -5.868 5.261 13.767 1.00 74.05 H new ATOM 0 HG12 ILE A 85 -7.275 7.055 15.446 1.00 51.40 H new ATOM 0 HG13 ILE A 85 -6.952 7.944 13.971 1.00 51.40 H new ATOM 0 HG21 ILE A 85 -5.775 5.384 16.224 1.00 33.32 H new ATOM 0 HG22 ILE A 85 -4.149 5.419 15.500 1.00 33.32 H new ATOM 0 HG23 ILE A 85 -4.884 6.921 16.109 1.00 33.32 H new ATOM 0 HD11 ILE A 85 -9.106 6.790 13.845 1.00 24.33 H new ATOM 0 HD12 ILE A 85 -7.973 6.132 12.640 1.00 24.33 H new ATOM 0 HD13 ILE A 85 -8.301 5.230 14.138 1.00 24.33 H new ATOM 1356 N ASP A 86 -3.675 5.090 12.417 1.00 44.22 N ATOM 1357 CA ASP A 86 -2.564 4.209 12.078 1.00 0.32 C ATOM 1358 C ASP A 86 -1.449 4.983 11.381 1.00 2.50 C ATOM 1359 O ASP A 86 -0.273 4.637 11.495 1.00 15.15 O ATOM 1360 CB ASP A 86 -3.045 3.067 11.182 1.00 52.12 C ATOM 1361 CG ASP A 86 -4.209 2.307 11.787 1.00 22.22 C ATOM 1362 OD1 ASP A 86 -4.302 2.258 13.032 1.00 71.13 O ATOM 1363 OD2 ASP A 86 -5.026 1.761 11.017 1.00 51.42 O ATOM 0 H ASP A 86 -4.586 4.762 12.096 1.00 44.22 H new ATOM 0 HA ASP A 86 -2.169 3.792 13.004 1.00 0.32 H new ATOM 0 HB2 ASP A 86 -3.342 3.469 10.213 1.00 52.12 H new ATOM 0 HB3 ASP A 86 -2.220 2.378 11.002 1.00 52.12 H new ATOM 1368 N TYR A 87 -1.827 6.033 10.659 1.00 75.53 N ATOM 1369 CA TYR A 87 -0.860 6.854 9.941 1.00 50.14 C ATOM 1370 C TYR A 87 -0.107 7.773 10.898 1.00 34.33 C ATOM 1371 O TYR A 87 1.122 7.784 10.929 1.00 24.31 O ATOM 1372 CB TYR A 87 -1.564 7.686 8.867 1.00 52.13 C ATOM 1373 CG TYR A 87 -0.612 8.412 7.943 1.00 11.22 C ATOM 1374 CD1 TYR A 87 -0.065 7.775 6.837 1.00 65.34 C ATOM 1375 CD2 TYR A 87 -0.263 9.736 8.176 1.00 44.41 C ATOM 1376 CE1 TYR A 87 0.806 8.434 5.991 1.00 62.52 C ATOM 1377 CE2 TYR A 87 0.606 10.405 7.334 1.00 23.45 C ATOM 1378 CZ TYR A 87 1.138 9.748 6.243 1.00 3.32 C ATOM 1379 OH TYR A 87 2.003 10.409 5.402 1.00 2.51 O ATOM 0 H TYR A 87 -2.796 6.335 10.556 1.00 75.53 H new ATOM 0 HA TYR A 87 -0.141 6.188 9.464 1.00 50.14 H new ATOM 0 HB2 TYR A 87 -2.204 7.032 8.275 1.00 52.13 H new ATOM 0 HB3 TYR A 87 -2.214 8.415 9.352 1.00 52.13 H new ATOM 0 HD1 TYR A 87 -0.325 6.746 6.635 1.00 65.34 H new ATOM 0 HD2 TYR A 87 -0.678 10.252 9.030 1.00 44.41 H new ATOM 0 HE1 TYR A 87 1.225 7.922 5.137 1.00 62.52 H new ATOM 0 HE2 TYR A 87 0.867 11.435 7.529 1.00 23.45 H new ATOM 0 HH TYR A 87 2.131 11.327 5.720 1.00 2.51 H new ATOM 1389 N GLY A 88 -0.857 8.544 11.681 1.00 43.12 N ATOM 1390 CA GLY A 88 -0.245 9.455 12.631 1.00 62.25 C ATOM 1391 C GLY A 88 0.670 8.745 13.608 1.00 3.12 C ATOM 1392 O GLY A 88 1.775 9.213 13.888 1.00 22.10 O ATOM 0 H GLY A 88 -1.877 8.554 11.674 1.00 43.12 H new ATOM 0 HA2 GLY A 88 0.323 10.211 12.090 1.00 62.25 H new ATOM 0 HA3 GLY A 88 -1.026 9.978 13.183 1.00 62.25 H new ATOM 1396 N THR A 89 0.211 7.613 14.131 1.00 22.24 N ATOM 1397 CA THR A 89 0.996 6.839 15.085 1.00 34.34 C ATOM 1398 C THR A 89 2.076 6.028 14.379 1.00 4.40 C ATOM 1399 O THR A 89 3.054 5.609 14.998 1.00 75.33 O ATOM 1400 CB THR A 89 0.103 5.884 15.901 1.00 22.41 C ATOM 1401 OG1 THR A 89 0.894 5.180 16.866 1.00 71.43 O ATOM 1402 CG2 THR A 89 -0.598 4.888 14.989 1.00 13.43 C ATOM 0 H THR A 89 -0.700 7.211 13.910 1.00 22.24 H new ATOM 0 HA THR A 89 1.466 7.553 15.761 1.00 34.34 H new ATOM 0 HB THR A 89 -0.653 6.478 16.414 1.00 22.41 H new ATOM 0 HG1 THR A 89 0.320 4.576 17.382 1.00 71.43 H new ATOM 0 HG21 THR A 89 -1.223 4.224 15.587 1.00 13.43 H new ATOM 0 HG22 THR A 89 -1.221 5.425 14.274 1.00 13.43 H new ATOM 0 HG23 THR A 89 0.146 4.300 14.452 1.00 13.43 H new ATOM 1410 N MET A 90 1.894 5.812 13.080 1.00 23.03 N ATOM 1411 CA MET A 90 2.856 5.053 12.290 1.00 22.43 C ATOM 1412 C MET A 90 2.944 3.610 12.781 1.00 43.03 C ATOM 1413 O MET A 90 3.828 3.265 13.564 1.00 70.22 O ATOM 1414 CB MET A 90 4.235 5.711 12.356 1.00 60.24 C ATOM 1415 CG MET A 90 4.198 7.219 12.164 1.00 31.43 C ATOM 1416 SD MET A 90 4.666 8.119 13.655 1.00 51.33 S ATOM 1417 CE MET A 90 6.333 7.513 13.907 1.00 55.33 C ATOM 0 H MET A 90 1.090 6.152 12.553 1.00 23.03 H new ATOM 0 HA MET A 90 2.514 5.046 11.255 1.00 22.43 H new ATOM 0 HB2 MET A 90 4.690 5.487 13.321 1.00 60.24 H new ATOM 0 HB3 MET A 90 4.876 5.271 11.592 1.00 60.24 H new ATOM 0 HG2 MET A 90 4.870 7.495 11.351 1.00 31.43 H new ATOM 0 HG3 MET A 90 3.194 7.519 11.863 1.00 31.43 H new ATOM 0 HE1 MET A 90 6.527 7.416 14.975 1.00 55.33 H new ATOM 0 HE2 MET A 90 6.443 6.540 13.428 1.00 55.33 H new ATOM 0 HE3 MET A 90 7.045 8.214 13.471 1.00 55.33 H new ATOM 1427 N ASN A 91 2.023 2.774 12.314 1.00 23.02 N ATOM 1428 CA ASN A 91 1.998 1.369 12.706 1.00 12.34 C ATOM 1429 C ASN A 91 2.402 0.472 11.541 1.00 31.23 C ATOM 1430 O ASN A 91 1.559 0.028 10.764 1.00 72.30 O ATOM 1431 CB ASN A 91 0.603 0.983 13.203 1.00 33.34 C ATOM 1432 CG ASN A 91 0.533 0.889 14.715 1.00 24.03 C ATOM 1433 OD1 ASN A 91 -0.279 1.559 15.353 1.00 23.00 O ATOM 1434 ND2 ASN A 91 1.387 0.054 15.296 1.00 35.15 N ATOM 0 H ASN A 91 1.285 3.044 11.664 1.00 23.02 H new ATOM 0 HA ASN A 91 2.716 1.229 13.514 1.00 12.34 H new ATOM 0 HB2 ASN A 91 -0.121 1.719 12.854 1.00 33.34 H new ATOM 0 HB3 ASN A 91 0.318 0.025 12.769 1.00 33.34 H new ATOM 0 HD21 ASN A 91 1.387 -0.051 16.311 1.00 35.15 H new ATOM 0 HD22 ASN A 91 2.043 -0.482 14.728 1.00 35.15 H new ATOM 1441 N GLY A 92 3.700 0.208 11.427 1.00 63.15 N ATOM 1442 CA GLY A 92 4.195 -0.635 10.355 1.00 54.14 C ATOM 1443 C GLY A 92 3.466 -1.962 10.277 1.00 34.53 C ATOM 1444 O GLY A 92 3.048 -2.386 9.201 1.00 53.22 O ATOM 0 H GLY A 92 4.418 0.563 12.059 1.00 63.15 H new ATOM 0 HA2 GLY A 92 4.090 -0.110 9.406 1.00 54.14 H new ATOM 0 HA3 GLY A 92 5.260 -0.817 10.502 1.00 54.14 H new ATOM 1448 N GLU A 93 3.314 -2.620 11.423 1.00 52.31 N ATOM 1449 CA GLU A 93 2.632 -3.907 11.480 1.00 73.12 C ATOM 1450 C GLU A 93 1.250 -3.820 10.839 1.00 61.04 C ATOM 1451 O GLU A 93 0.890 -4.640 9.994 1.00 20.34 O ATOM 1452 CB GLU A 93 2.505 -4.379 12.930 1.00 61.12 C ATOM 1453 CG GLU A 93 2.104 -5.839 13.061 1.00 2.51 C ATOM 1454 CD GLU A 93 2.281 -6.367 14.472 1.00 35.14 C ATOM 1455 OE1 GLU A 93 3.042 -5.751 15.246 1.00 23.13 O ATOM 1456 OE2 GLU A 93 1.655 -7.397 14.801 1.00 23.15 O ATOM 0 H GLU A 93 3.654 -2.282 12.323 1.00 52.31 H new ATOM 0 HA GLU A 93 3.228 -4.629 10.921 1.00 73.12 H new ATOM 0 HB2 GLU A 93 3.457 -4.225 13.438 1.00 61.12 H new ATOM 0 HB3 GLU A 93 1.767 -3.761 13.441 1.00 61.12 H new ATOM 0 HG2 GLU A 93 1.062 -5.954 12.762 1.00 2.51 H new ATOM 0 HG3 GLU A 93 2.701 -6.439 12.375 1.00 2.51 H new ATOM 1463 N LYS A 94 0.477 -2.818 11.246 1.00 4.24 N ATOM 1464 CA LYS A 94 -0.865 -2.620 10.714 1.00 73.40 C ATOM 1465 C LYS A 94 -0.821 -2.351 9.213 1.00 11.32 C ATOM 1466 O LYS A 94 -1.687 -2.804 8.465 1.00 50.22 O ATOM 1467 CB LYS A 94 -1.555 -1.458 11.431 1.00 23.14 C ATOM 1468 CG LYS A 94 -1.813 -1.720 12.905 1.00 44.20 C ATOM 1469 CD LYS A 94 -3.137 -2.433 13.122 1.00 44.11 C ATOM 1470 CE LYS A 94 -3.480 -2.531 14.601 1.00 54.15 C ATOM 1471 NZ LYS A 94 -4.904 -2.914 14.814 1.00 44.23 N ATOM 0 H LYS A 94 0.759 -2.130 11.944 1.00 4.24 H new ATOM 0 HA LYS A 94 -1.435 -3.533 10.885 1.00 73.40 H new ATOM 0 HB2 LYS A 94 -0.939 -0.564 11.332 1.00 23.14 H new ATOM 0 HB3 LYS A 94 -2.503 -1.249 10.936 1.00 23.14 H new ATOM 0 HG2 LYS A 94 -1.003 -2.323 13.315 1.00 44.20 H new ATOM 0 HG3 LYS A 94 -1.814 -0.775 13.448 1.00 44.20 H new ATOM 0 HD2 LYS A 94 -3.930 -1.899 12.598 1.00 44.11 H new ATOM 0 HD3 LYS A 94 -3.088 -3.433 12.691 1.00 44.11 H new ATOM 0 HE2 LYS A 94 -2.831 -3.266 15.077 1.00 54.15 H new ATOM 0 HE3 LYS A 94 -3.285 -1.573 15.084 1.00 54.15 H new ATOM 0 HZ1 LYS A 94 -5.099 -2.971 15.834 1.00 44.23 H new ATOM 0 HZ2 LYS A 94 -5.524 -2.200 14.382 1.00 44.23 H new ATOM 0 HZ3 LYS A 94 -5.084 -3.840 14.375 1.00 44.23 H new ATOM 1485 N VAL A 95 0.195 -1.612 8.779 1.00 32.33 N ATOM 1486 CA VAL A 95 0.354 -1.284 7.367 1.00 31.45 C ATOM 1487 C VAL A 95 0.565 -2.543 6.531 1.00 4.35 C ATOM 1488 O VAL A 95 -0.288 -2.918 5.728 1.00 45.14 O ATOM 1489 CB VAL A 95 1.539 -0.327 7.143 1.00 51.23 C ATOM 1490 CG1 VAL A 95 1.689 0.001 5.665 1.00 53.00 C ATOM 1491 CG2 VAL A 95 1.362 0.942 7.963 1.00 32.44 C ATOM 0 H VAL A 95 0.921 -1.229 9.385 1.00 32.33 H new ATOM 0 HA VAL A 95 -0.565 -0.791 7.051 1.00 31.45 H new ATOM 0 HB VAL A 95 2.451 -0.823 7.475 1.00 51.23 H new ATOM 0 HG11 VAL A 95 2.532 0.679 5.526 1.00 53.00 H new ATOM 0 HG12 VAL A 95 1.866 -0.917 5.105 1.00 53.00 H new ATOM 0 HG13 VAL A 95 0.777 0.477 5.304 1.00 53.00 H new ATOM 0 HG21 VAL A 95 2.209 1.607 7.792 1.00 32.44 H new ATOM 0 HG22 VAL A 95 0.441 1.443 7.664 1.00 32.44 H new ATOM 0 HG23 VAL A 95 1.309 0.687 9.021 1.00 32.44 H new ATOM 1501 N LEU A 96 1.709 -3.191 6.728 1.00 1.31 N ATOM 1502 CA LEU A 96 2.034 -4.408 5.993 1.00 61.55 C ATOM 1503 C LEU A 96 0.902 -5.425 6.096 1.00 33.33 C ATOM 1504 O LEU A 96 0.540 -6.067 5.110 1.00 23.22 O ATOM 1505 CB LEU A 96 3.332 -5.017 6.526 1.00 41.24 C ATOM 1506 CG LEU A 96 3.431 -5.164 8.044 1.00 62.44 C ATOM 1507 CD1 LEU A 96 3.251 -6.618 8.453 1.00 61.04 C ATOM 1508 CD2 LEU A 96 4.764 -4.629 8.545 1.00 4.05 C ATOM 0 H LEU A 96 2.426 -2.894 7.390 1.00 1.31 H new ATOM 0 HA LEU A 96 2.167 -4.145 4.944 1.00 61.55 H new ATOM 0 HB2 LEU A 96 3.459 -6.002 6.077 1.00 41.24 H new ATOM 0 HB3 LEU A 96 4.165 -4.402 6.186 1.00 41.24 H new ATOM 0 HG LEU A 96 2.632 -4.579 8.499 1.00 62.44 H new ATOM 0 HD11 LEU A 96 3.325 -6.703 9.537 1.00 61.04 H new ATOM 0 HD12 LEU A 96 2.272 -6.969 8.127 1.00 61.04 H new ATOM 0 HD13 LEU A 96 4.027 -7.226 7.988 1.00 61.04 H new ATOM 0 HD21 LEU A 96 4.817 -4.742 9.628 1.00 4.05 H new ATOM 0 HD22 LEU A 96 5.577 -5.187 8.082 1.00 4.05 H new ATOM 0 HD23 LEU A 96 4.854 -3.574 8.285 1.00 4.05 H new ATOM 1520 N GLN A 97 0.345 -5.564 7.296 1.00 65.35 N ATOM 1521 CA GLN A 97 -0.746 -6.503 7.526 1.00 53.51 C ATOM 1522 C GLN A 97 -1.935 -6.186 6.625 1.00 73.34 C ATOM 1523 O GLN A 97 -2.491 -7.075 5.978 1.00 73.33 O ATOM 1524 CB GLN A 97 -1.179 -6.463 8.993 1.00 52.43 C ATOM 1525 CG GLN A 97 -0.292 -7.287 9.912 1.00 64.14 C ATOM 1526 CD GLN A 97 -0.770 -8.718 10.057 1.00 53.33 C ATOM 1527 OE1 GLN A 97 -1.541 -9.038 10.962 1.00 1.43 O ATOM 1528 NE2 GLN A 97 -0.316 -9.588 9.162 1.00 73.20 N ATOM 0 H GLN A 97 0.631 -5.039 8.122 1.00 65.35 H new ATOM 0 HA GLN A 97 -0.388 -7.504 7.286 1.00 53.51 H new ATOM 0 HB2 GLN A 97 -1.180 -5.428 9.335 1.00 52.43 H new ATOM 0 HB3 GLN A 97 -2.204 -6.825 9.071 1.00 52.43 H new ATOM 0 HG2 GLN A 97 0.727 -7.286 9.524 1.00 64.14 H new ATOM 0 HG3 GLN A 97 -0.259 -6.818 10.895 1.00 64.14 H new ATOM 0 HE21 GLN A 97 0.322 -9.279 8.428 1.00 73.20 H new ATOM 0 HE22 GLN A 97 -0.605 -10.565 9.208 1.00 73.20 H new ATOM 1537 N LEU A 98 -2.320 -4.916 6.585 1.00 34.02 N ATOM 1538 CA LEU A 98 -3.444 -4.482 5.762 1.00 41.21 C ATOM 1539 C LEU A 98 -3.190 -4.786 4.290 1.00 62.42 C ATOM 1540 O LEU A 98 -4.023 -5.394 3.619 1.00 53.23 O ATOM 1541 CB LEU A 98 -3.690 -2.984 5.950 1.00 60.11 C ATOM 1542 CG LEU A 98 -5.103 -2.491 5.631 1.00 44.10 C ATOM 1543 CD1 LEU A 98 -6.122 -3.171 6.531 1.00 24.22 C ATOM 1544 CD2 LEU A 98 -5.184 -0.978 5.777 1.00 73.34 C ATOM 0 H LEU A 98 -1.871 -4.168 7.113 1.00 34.02 H new ATOM 0 HA LEU A 98 -4.329 -5.032 6.080 1.00 41.21 H new ATOM 0 HB2 LEU A 98 -3.461 -2.725 6.984 1.00 60.11 H new ATOM 0 HB3 LEU A 98 -2.986 -2.439 5.322 1.00 60.11 H new ATOM 0 HG LEU A 98 -5.333 -2.750 4.598 1.00 44.10 H new ATOM 0 HD11 LEU A 98 -7.121 -2.808 6.289 1.00 24.22 H new ATOM 0 HD12 LEU A 98 -6.081 -4.249 6.377 1.00 24.22 H new ATOM 0 HD13 LEU A 98 -5.896 -2.944 7.573 1.00 24.22 H new ATOM 0 HD21 LEU A 98 -6.196 -0.644 5.547 1.00 73.34 H new ATOM 0 HD22 LEU A 98 -4.933 -0.697 6.800 1.00 73.34 H new ATOM 0 HD23 LEU A 98 -4.481 -0.508 5.089 1.00 73.34 H new ATOM 1556 N ALA A 99 -2.032 -4.362 3.794 1.00 41.20 N ATOM 1557 CA ALA A 99 -1.666 -4.594 2.402 1.00 51.51 C ATOM 1558 C ALA A 99 -1.798 -6.068 2.037 1.00 35.52 C ATOM 1559 O ALA A 99 -2.523 -6.425 1.108 1.00 51.00 O ATOM 1560 CB ALA A 99 -0.248 -4.108 2.142 1.00 52.24 C ATOM 0 H ALA A 99 -1.331 -3.856 4.336 1.00 41.20 H new ATOM 0 HA ALA A 99 -2.353 -4.029 1.772 1.00 51.51 H new ATOM 0 HB1 ALA A 99 0.013 -4.287 1.099 1.00 52.24 H new ATOM 0 HB2 ALA A 99 -0.185 -3.041 2.354 1.00 52.24 H new ATOM 0 HB3 ALA A 99 0.446 -4.647 2.787 1.00 52.24 H new ATOM 1566 N ILE A 100 -1.093 -6.920 2.774 1.00 34.44 N ATOM 1567 CA ILE A 100 -1.132 -8.356 2.528 1.00 41.11 C ATOM 1568 C ILE A 100 -2.565 -8.880 2.556 1.00 5.02 C ATOM 1569 O ILE A 100 -2.956 -9.691 1.719 1.00 64.42 O ATOM 1570 CB ILE A 100 -0.295 -9.128 3.564 1.00 4.22 C ATOM 1571 CG1 ILE A 100 1.158 -8.648 3.538 1.00 13.52 C ATOM 1572 CG2 ILE A 100 -0.367 -10.624 3.296 1.00 74.54 C ATOM 1573 CD1 ILE A 100 1.951 -9.053 4.761 1.00 30.23 C ATOM 0 H ILE A 100 -0.488 -6.641 3.546 1.00 34.44 H new ATOM 0 HA ILE A 100 -0.707 -8.518 1.537 1.00 41.11 H new ATOM 0 HB ILE A 100 -0.705 -8.936 4.555 1.00 4.22 H new ATOM 0 HG12 ILE A 100 1.648 -9.046 2.649 1.00 13.52 H new ATOM 0 HG13 ILE A 100 1.172 -7.562 3.450 1.00 13.52 H new ATOM 0 HG21 ILE A 100 0.230 -11.156 4.037 1.00 74.54 H new ATOM 0 HG22 ILE A 100 -1.403 -10.956 3.359 1.00 74.54 H new ATOM 0 HG23 ILE A 100 0.021 -10.834 2.299 1.00 74.54 H new ATOM 0 HD11 ILE A 100 2.971 -8.679 4.674 1.00 30.23 H new ATOM 0 HD12 ILE A 100 1.485 -8.632 5.652 1.00 30.23 H new ATOM 0 HD13 ILE A 100 1.969 -10.140 4.840 1.00 30.23 H new ATOM 1585 N ASN A 101 -3.342 -8.407 3.525 1.00 22.43 N ATOM 1586 CA ASN A 101 -4.732 -8.827 3.662 1.00 32.04 C ATOM 1587 C ASN A 101 -5.516 -8.538 2.386 1.00 25.03 C ATOM 1588 O ASN A 101 -6.266 -9.384 1.901 1.00 74.54 O ATOM 1589 CB ASN A 101 -5.386 -8.116 4.849 1.00 70.22 C ATOM 1590 CG ASN A 101 -6.617 -8.846 5.353 1.00 43.23 C ATOM 1591 OD1 ASN A 101 -6.927 -9.948 4.901 1.00 1.32 O ATOM 1592 ND2 ASN A 101 -7.323 -8.232 6.294 1.00 13.44 N ATOM 0 H ASN A 101 -3.033 -7.734 4.226 1.00 22.43 H new ATOM 0 HA ASN A 101 -4.745 -9.902 3.839 1.00 32.04 H new ATOM 0 HB2 ASN A 101 -4.662 -8.027 5.659 1.00 70.22 H new ATOM 0 HB3 ASN A 101 -5.662 -7.103 4.555 1.00 70.22 H new ATOM 0 HD21 ASN A 101 -8.161 -8.674 6.673 1.00 13.44 H new ATOM 0 HD22 ASN A 101 -7.028 -7.319 6.639 1.00 13.44 H new ATOM 1599 N ALA A 102 -5.336 -7.337 1.847 1.00 45.03 N ATOM 1600 CA ALA A 102 -6.024 -6.937 0.626 1.00 72.40 C ATOM 1601 C ALA A 102 -5.576 -7.785 -0.560 1.00 44.32 C ATOM 1602 O ALA A 102 -6.392 -8.206 -1.380 1.00 14.32 O ATOM 1603 CB ALA A 102 -5.783 -5.462 0.343 1.00 53.01 C ATOM 0 H ALA A 102 -4.719 -6.624 2.237 1.00 45.03 H new ATOM 0 HA ALA A 102 -7.092 -7.098 0.771 1.00 72.40 H new ATOM 0 HB1 ALA A 102 -6.303 -5.177 -0.572 1.00 53.01 H new ATOM 0 HB2 ALA A 102 -6.159 -4.866 1.174 1.00 53.01 H new ATOM 0 HB3 ALA A 102 -4.714 -5.284 0.223 1.00 53.01 H new ATOM 1609 N PHE A 103 -4.272 -8.031 -0.646 1.00 34.14 N ATOM 1610 CA PHE A 103 -3.715 -8.828 -1.733 1.00 53.31 C ATOM 1611 C PHE A 103 -4.238 -10.261 -1.680 1.00 44.41 C ATOM 1612 O PHE A 103 -4.566 -10.852 -2.708 1.00 53.22 O ATOM 1613 CB PHE A 103 -2.187 -8.826 -1.663 1.00 71.53 C ATOM 1614 CG PHE A 103 -1.532 -9.445 -2.865 1.00 3.14 C ATOM 1615 CD1 PHE A 103 -1.957 -9.124 -4.144 1.00 2.33 C ATOM 1616 CD2 PHE A 103 -0.490 -10.346 -2.716 1.00 35.23 C ATOM 1617 CE1 PHE A 103 -1.355 -9.690 -5.252 1.00 40.14 C ATOM 1618 CE2 PHE A 103 0.115 -10.915 -3.820 1.00 23.35 C ATOM 1619 CZ PHE A 103 -0.319 -10.588 -5.089 1.00 72.24 C ATOM 0 H PHE A 103 -3.582 -7.690 0.024 1.00 34.14 H new ATOM 0 HA PHE A 103 -4.029 -8.381 -2.677 1.00 53.31 H new ATOM 0 HB2 PHE A 103 -1.837 -7.799 -1.557 1.00 71.53 H new ATOM 0 HB3 PHE A 103 -1.871 -9.364 -0.769 1.00 71.53 H new ATOM 0 HD1 PHE A 103 -2.768 -8.423 -4.277 1.00 2.33 H new ATOM 0 HD2 PHE A 103 -0.147 -10.606 -1.726 1.00 35.23 H new ATOM 0 HE1 PHE A 103 -1.694 -9.430 -6.244 1.00 40.14 H new ATOM 0 HE2 PHE A 103 0.927 -11.615 -3.690 1.00 23.35 H new ATOM 0 HZ PHE A 103 0.151 -11.034 -5.953 1.00 72.24 H new ATOM 1629 N ASN A 104 -4.309 -10.813 -0.473 1.00 72.54 N ATOM 1630 CA ASN A 104 -4.789 -12.178 -0.285 1.00 73.11 C ATOM 1631 C ASN A 104 -6.288 -12.270 -0.559 1.00 41.25 C ATOM 1632 O ASN A 104 -6.740 -13.140 -1.303 1.00 33.13 O ATOM 1633 CB ASN A 104 -4.491 -12.654 1.138 1.00 61.05 C ATOM 1634 CG ASN A 104 -3.249 -13.523 1.207 1.00 2.23 C ATOM 1635 OD1 ASN A 104 -2.996 -14.335 0.318 1.00 64.43 O ATOM 1636 ND2 ASN A 104 -2.469 -13.355 2.269 1.00 40.31 N ATOM 0 H ASN A 104 -4.041 -10.337 0.388 1.00 72.54 H new ATOM 0 HA ASN A 104 -4.267 -12.821 -0.994 1.00 73.11 H new ATOM 0 HB2 ASN A 104 -4.363 -11.789 1.789 1.00 61.05 H new ATOM 0 HB3 ASN A 104 -5.345 -13.215 1.518 1.00 61.05 H new ATOM 0 HD21 ASN A 104 -1.620 -13.912 2.372 1.00 40.31 H new ATOM 0 HD22 ASN A 104 -2.719 -12.669 2.982 1.00 40.31 H new ATOM 1643 N ASN A 105 -7.051 -11.366 0.045 1.00 0.24 N ATOM 1644 CA ASN A 105 -8.498 -11.345 -0.135 1.00 14.05 C ATOM 1645 C ASN A 105 -8.863 -11.015 -1.579 1.00 12.02 C ATOM 1646 O ASN A 105 -9.910 -11.429 -2.076 1.00 64.44 O ATOM 1647 CB ASN A 105 -9.135 -10.323 0.810 1.00 75.31 C ATOM 1648 CG ASN A 105 -10.416 -10.837 1.439 1.00 22.41 C ATOM 1649 OD1 ASN A 105 -10.599 -10.758 2.654 1.00 63.24 O ATOM 1650 ND2 ASN A 105 -11.310 -11.368 0.612 1.00 0.41 N ATOM 0 H ASN A 105 -6.692 -10.638 0.663 1.00 0.24 H new ATOM 0 HA ASN A 105 -8.882 -12.338 0.100 1.00 14.05 H new ATOM 0 HB2 ASN A 105 -8.425 -10.067 1.596 1.00 75.31 H new ATOM 0 HB3 ASN A 105 -9.346 -9.406 0.260 1.00 75.31 H new ATOM 0 HD21 ASN A 105 -12.190 -11.731 0.977 1.00 0.41 H new ATOM 0 HD22 ASN A 105 -11.116 -11.413 -0.388 1.00 0.41 H new ATOM 1657 N LYS A 106 -7.991 -10.268 -2.247 1.00 71.32 N ATOM 1658 CA LYS A 106 -8.218 -9.883 -3.635 1.00 30.21 C ATOM 1659 C LYS A 106 -9.521 -9.101 -3.777 1.00 21.15 C ATOM 1660 O LYS A 106 -10.216 -8.851 -2.792 1.00 45.02 O ATOM 1661 CB LYS A 106 -8.256 -11.124 -4.530 1.00 42.01 C ATOM 1662 CG LYS A 106 -7.008 -11.984 -4.430 1.00 51.34 C ATOM 1663 CD LYS A 106 -6.913 -12.965 -5.587 1.00 43.31 C ATOM 1664 CE LYS A 106 -6.131 -14.210 -5.199 1.00 24.23 C ATOM 1665 NZ LYS A 106 -5.373 -14.772 -6.352 1.00 51.40 N ATOM 0 H LYS A 106 -7.120 -9.917 -1.849 1.00 71.32 H new ATOM 0 HA LYS A 106 -7.394 -9.242 -3.947 1.00 30.21 H new ATOM 0 HB2 LYS A 106 -9.125 -11.727 -4.265 1.00 42.01 H new ATOM 0 HB3 LYS A 106 -8.389 -10.811 -5.566 1.00 42.01 H new ATOM 0 HG2 LYS A 106 -6.125 -11.345 -4.420 1.00 51.34 H new ATOM 0 HG3 LYS A 106 -7.017 -12.531 -3.487 1.00 51.34 H new ATOM 0 HD2 LYS A 106 -7.915 -13.249 -5.908 1.00 43.31 H new ATOM 0 HD3 LYS A 106 -6.431 -12.481 -6.437 1.00 43.31 H new ATOM 0 HE2 LYS A 106 -5.438 -13.967 -4.393 1.00 24.23 H new ATOM 0 HE3 LYS A 106 -6.817 -14.964 -4.813 1.00 24.23 H new ATOM 0 HZ1 LYS A 106 -4.854 -15.619 -6.046 1.00 51.40 H new ATOM 0 HZ2 LYS A 106 -6.036 -15.028 -7.112 1.00 51.40 H new ATOM 0 HZ3 LYS A 106 -4.700 -14.062 -6.704 1.00 51.40 H new ATOM 1679 N SER A 107 -9.846 -8.720 -5.009 1.00 32.14 N ATOM 1680 CA SER A 107 -11.064 -7.966 -5.278 1.00 50.21 C ATOM 1681 C SER A 107 -12.062 -8.808 -6.066 1.00 44.13 C ATOM 1682 O SER A 107 -11.892 -9.033 -7.264 1.00 62.20 O ATOM 1683 CB SER A 107 -10.735 -6.687 -6.052 1.00 71.11 C ATOM 1684 OG SER A 107 -10.897 -5.541 -5.235 1.00 5.21 O ATOM 0 H SER A 107 -9.283 -8.921 -5.835 1.00 32.14 H new ATOM 0 HA SER A 107 -11.516 -7.699 -4.323 1.00 50.21 H new ATOM 0 HB2 SER A 107 -9.710 -6.734 -6.419 1.00 71.11 H new ATOM 0 HB3 SER A 107 -11.383 -6.610 -6.925 1.00 71.11 H new ATOM 0 HG SER A 107 -10.679 -4.737 -5.752 1.00 5.21 H new ATOM 1690 N SER A 108 -13.104 -9.271 -5.383 1.00 62.23 N ATOM 1691 CA SER A 108 -14.129 -10.092 -6.017 1.00 63.44 C ATOM 1692 C SER A 108 -15.511 -9.473 -5.835 1.00 21.34 C ATOM 1693 O SER A 108 -16.347 -9.513 -6.738 1.00 2.23 O ATOM 1694 CB SER A 108 -14.111 -11.508 -5.436 1.00 4.14 C ATOM 1695 OG SER A 108 -12.858 -11.797 -4.837 1.00 54.34 O ATOM 0 H SER A 108 -13.261 -9.092 -4.391 1.00 62.23 H new ATOM 0 HA SER A 108 -13.910 -10.142 -7.084 1.00 63.44 H new ATOM 0 HB2 SER A 108 -14.904 -11.611 -4.696 1.00 4.14 H new ATOM 0 HB3 SER A 108 -14.316 -12.231 -6.225 1.00 4.14 H new ATOM 0 HG SER A 108 -12.872 -12.706 -4.472 1.00 54.34 H new ATOM 1701 N VAL A 109 -15.746 -8.902 -4.658 1.00 3.23 N ATOM 1702 CA VAL A 109 -17.026 -8.272 -4.355 1.00 24.34 C ATOM 1703 C VAL A 109 -16.877 -6.762 -4.215 1.00 44.25 C ATOM 1704 O VAL A 109 -16.052 -6.145 -4.890 1.00 44.44 O ATOM 1705 CB VAL A 109 -17.636 -8.838 -3.058 1.00 52.25 C ATOM 1706 CG1 VAL A 109 -19.050 -8.312 -2.861 1.00 23.11 C ATOM 1707 CG2 VAL A 109 -17.623 -10.359 -3.084 1.00 14.23 C ATOM 0 H VAL A 109 -15.067 -8.863 -3.898 1.00 3.23 H new ATOM 0 HA VAL A 109 -17.692 -8.492 -5.189 1.00 24.34 H new ATOM 0 HB VAL A 109 -17.029 -8.507 -2.215 1.00 52.25 H new ATOM 0 HG11 VAL A 109 -19.466 -8.722 -1.940 1.00 23.11 H new ATOM 0 HG12 VAL A 109 -19.028 -7.224 -2.796 1.00 23.11 H new ATOM 0 HG13 VAL A 109 -19.671 -8.613 -3.705 1.00 23.11 H new ATOM 0 HG21 VAL A 109 -18.057 -10.742 -2.161 1.00 14.23 H new ATOM 0 HG22 VAL A 109 -18.206 -10.713 -3.934 1.00 14.23 H new ATOM 0 HG23 VAL A 109 -16.596 -10.713 -3.176 1.00 14.23 H new TER 1717 VAL A 109