USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 863 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 98 LYS NZ :NH3+ -152:sc= -0.194 (180deg=-0.75) USER MOD Set 1.2: A 101 ASN : amide:sc= -0.0626 K(o=-0.26,f=-1.5) USER MOD Set 2.1: A 42 THR OG1 : rot 180:sc= -0.0122 USER MOD Set 2.2: A 46 MET CE :methyl -175:sc= -2.73! (180deg=-2.83) USER MOD Set 3.1: A 34 TYR OH : rot 165:sc= 0.115 USER MOD Set 3.2: A 102 LYS NZ :NH3+ -146:sc= 0.29 (180deg=0) USER MOD Set 4.1: A 8 ASN : amide:sc= -4.12! C(o=-4.1!,f=-8.8!) USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 29 SER OG : rot -42:sc= 0.438 USER MOD Single : A 1 MET CE :methyl -97:sc= -7.86! (180deg=-8.65!) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.263 (180deg=0.185) USER MOD Single : A 2 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 4 CYS SG : rot 180:sc= -0.389 USER MOD Single : A 6 MET CE :methyl -171:sc= -0.926 (180deg=-1.16) USER MOD Single : A 10 SER OG : rot -93:sc= 0.841 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.17) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -116:sc= -0.902 (180deg=-1.99) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.526 K(o=-0.53,f=-1.5) USER MOD Single : A 45 MET CE :methyl 151:sc= -2.19! (180deg=-3.48!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 61:sc= 0.864 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.256 F(o=-2.8!,f=-0.26) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -145:sc= -1.56 (180deg=-6.11!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0057 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 174:sc= -6.38! (180deg=-6.94!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -58:sc= 1.17 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= -0.0129 (180deg=-0.178) USER MOD Single : A 105 LYS NZ :NH3+ -154:sc= -0.0423 (180deg=-0.903) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.493 -0.122 0.273 1.00 21.34 N ATOM 2 CA MET A 1 2.130 -0.072 -1.037 1.00 61.35 C ATOM 3 C MET A 1 3.499 -0.744 -1.002 1.00 45.55 C ATOM 4 O MET A 1 4.003 -1.097 0.065 1.00 54.23 O ATOM 5 CB MET A 1 2.272 1.378 -1.504 1.00 73.44 C ATOM 6 CG MET A 1 2.395 2.374 -0.363 1.00 43.23 C ATOM 7 SD MET A 1 3.826 2.054 0.686 1.00 11.24 S ATOM 8 CE MET A 1 5.127 1.943 -0.539 1.00 62.13 C ATOM 0 H1 MET A 1 0.578 0.371 0.233 1.00 21.34 H new ATOM 0 H2 MET A 1 1.341 -1.114 0.547 1.00 21.34 H new ATOM 0 H3 MET A 1 2.105 0.341 0.975 1.00 21.34 H new ATOM 0 HA MET A 1 1.498 -0.612 -1.742 1.00 61.35 H new ATOM 0 HB2 MET A 1 3.150 1.461 -2.144 1.00 73.44 H new ATOM 0 HB3 MET A 1 1.408 1.641 -2.114 1.00 73.44 H new ATOM 0 HG2 MET A 1 2.467 3.382 -0.772 1.00 43.23 H new ATOM 0 HG3 MET A 1 1.490 2.340 0.243 1.00 43.23 H new ATOM 0 HE1 MET A 1 5.311 0.896 -0.780 1.00 62.13 H new ATOM 0 HE2 MET A 1 4.824 2.475 -1.441 1.00 62.13 H new ATOM 0 HE3 MET A 1 6.039 2.390 -0.143 1.00 62.13 H new ATOM 18 N THR A 2 4.099 -0.917 -2.176 1.00 72.24 N ATOM 19 CA THR A 2 5.409 -1.547 -2.280 1.00 31.21 C ATOM 20 C THR A 2 6.498 -0.512 -2.540 1.00 74.52 C ATOM 21 O THR A 2 6.363 0.337 -3.422 1.00 0.01 O ATOM 22 CB THR A 2 5.439 -2.601 -3.403 1.00 54.43 C ATOM 23 OG1 THR A 2 4.133 -3.160 -3.585 1.00 51.33 O ATOM 24 CG2 THR A 2 6.430 -3.709 -3.080 1.00 54.43 C ATOM 0 H THR A 2 3.698 -0.629 -3.069 1.00 72.24 H new ATOM 0 HA THR A 2 5.599 -2.039 -1.326 1.00 31.21 H new ATOM 0 HB THR A 2 5.755 -2.110 -4.323 1.00 54.43 H new ATOM 0 HG1 THR A 2 3.713 -2.759 -4.374 1.00 51.33 H new ATOM 0 HG21 THR A 2 6.433 -4.441 -3.888 1.00 54.43 H new ATOM 0 HG22 THR A 2 7.428 -3.284 -2.971 1.00 54.43 H new ATOM 0 HG23 THR A 2 6.140 -4.197 -2.149 1.00 54.43 H new ATOM 32 N LEU A 3 7.576 -0.589 -1.769 1.00 4.12 N ATOM 33 CA LEU A 3 8.690 0.342 -1.917 1.00 22.53 C ATOM 34 C LEU A 3 9.955 -0.389 -2.356 1.00 3.13 C ATOM 35 O LEU A 3 10.342 -1.395 -1.760 1.00 35.13 O ATOM 36 CB LEU A 3 8.944 1.078 -0.600 1.00 74.11 C ATOM 37 CG LEU A 3 9.058 2.600 -0.693 1.00 72.24 C ATOM 38 CD1 LEU A 3 8.022 3.155 -1.659 1.00 62.42 C ATOM 39 CD2 LEU A 3 8.900 3.232 0.682 1.00 73.22 C ATOM 0 H LEU A 3 7.703 -1.286 -1.035 1.00 4.12 H new ATOM 0 HA LEU A 3 8.426 1.067 -2.686 1.00 22.53 H new ATOM 0 HB2 LEU A 3 8.136 0.836 0.090 1.00 74.11 H new ATOM 0 HB3 LEU A 3 9.864 0.691 -0.162 1.00 74.11 H new ATOM 0 HG LEU A 3 10.049 2.848 -1.073 1.00 72.24 H new ATOM 0 HD11 LEU A 3 8.118 4.239 -1.712 1.00 62.42 H new ATOM 0 HD12 LEU A 3 8.182 2.728 -2.649 1.00 62.42 H new ATOM 0 HD13 LEU A 3 7.023 2.896 -1.309 1.00 62.42 H new ATOM 0 HD21 LEU A 3 8.984 4.315 0.596 1.00 73.22 H new ATOM 0 HD22 LEU A 3 7.923 2.975 1.090 1.00 73.22 H new ATOM 0 HD23 LEU A 3 9.680 2.859 1.346 1.00 73.22 H new ATOM 51 N CYS A 4 10.597 0.125 -3.399 1.00 52.11 N ATOM 52 CA CYS A 4 11.820 -0.478 -3.917 1.00 50.53 C ATOM 53 C CYS A 4 12.975 0.517 -3.878 1.00 3.44 C ATOM 54 O CYS A 4 12.763 1.729 -3.837 1.00 21.10 O ATOM 55 CB CYS A 4 11.604 -0.970 -5.349 1.00 12.20 C ATOM 56 SG CYS A 4 10.148 -2.021 -5.556 1.00 75.31 S ATOM 0 H CYS A 4 10.291 0.958 -3.903 1.00 52.11 H new ATOM 0 HA CYS A 4 12.074 -1.327 -3.283 1.00 50.53 H new ATOM 0 HB2 CYS A 4 11.513 -0.107 -6.008 1.00 12.20 H new ATOM 0 HB3 CYS A 4 12.487 -1.523 -5.669 1.00 12.20 H new ATOM 0 HG CYS A 4 10.049 -2.385 -6.800 1.00 75.31 H new ATOM 62 N ALA A 5 14.198 -0.003 -3.888 1.00 61.01 N ATOM 63 CA ALA A 5 15.387 0.839 -3.854 1.00 2.43 C ATOM 64 C ALA A 5 16.461 0.311 -4.798 1.00 45.45 C ATOM 65 O ALA A 5 16.646 -0.898 -4.930 1.00 35.21 O ATOM 66 CB ALA A 5 15.928 0.931 -2.435 1.00 22.14 C ATOM 0 H ALA A 5 14.391 -1.004 -3.919 1.00 61.01 H new ATOM 0 HA ALA A 5 15.105 1.837 -4.189 1.00 2.43 H new ATOM 0 HB1 ALA A 5 16.816 1.563 -2.424 1.00 22.14 H new ATOM 0 HB2 ALA A 5 15.168 1.362 -1.783 1.00 22.14 H new ATOM 0 HB3 ALA A 5 16.188 -0.066 -2.079 1.00 22.14 H new ATOM 72 N MET A 6 17.167 1.226 -5.455 1.00 4.43 N ATOM 73 CA MET A 6 18.224 0.852 -6.387 1.00 61.23 C ATOM 74 C MET A 6 19.584 1.328 -5.888 1.00 3.33 C ATOM 75 O MET A 6 19.790 2.521 -5.660 1.00 33.31 O ATOM 76 CB MET A 6 17.943 1.437 -7.772 1.00 54.53 C ATOM 77 CG MET A 6 19.086 1.248 -8.756 1.00 72.10 C ATOM 78 SD MET A 6 18.876 2.220 -10.260 1.00 70.54 S ATOM 79 CE MET A 6 17.861 1.114 -11.239 1.00 4.24 C ATOM 0 H MET A 6 17.026 2.232 -5.359 1.00 4.43 H new ATOM 0 HA MET A 6 18.243 -0.236 -6.457 1.00 61.23 H new ATOM 0 HB2 MET A 6 17.045 0.972 -8.178 1.00 54.53 H new ATOM 0 HB3 MET A 6 17.733 2.502 -7.672 1.00 54.53 H new ATOM 0 HG2 MET A 6 20.024 1.527 -8.276 1.00 72.10 H new ATOM 0 HG3 MET A 6 19.164 0.193 -9.018 1.00 72.10 H new ATOM 0 HE1 MET A 6 17.778 1.500 -12.255 1.00 4.24 H new ATOM 0 HE2 MET A 6 18.319 0.125 -11.263 1.00 4.24 H new ATOM 0 HE3 MET A 6 16.868 1.043 -10.795 1.00 4.24 H new ATOM 89 N TYR A 7 20.509 0.390 -5.719 1.00 44.11 N ATOM 90 CA TYR A 7 21.849 0.714 -5.244 1.00 1.42 C ATOM 91 C TYR A 7 22.906 0.272 -6.251 1.00 4.41 C ATOM 92 O TYR A 7 22.728 -0.716 -6.961 1.00 61.20 O ATOM 93 CB TYR A 7 22.108 0.049 -3.891 1.00 11.31 C ATOM 94 CG TYR A 7 22.173 -1.460 -3.961 1.00 13.35 C ATOM 95 CD1 TYR A 7 21.013 -2.222 -4.027 1.00 24.52 C ATOM 96 CD2 TYR A 7 23.394 -2.123 -3.961 1.00 50.31 C ATOM 97 CE1 TYR A 7 21.068 -3.601 -4.090 1.00 22.32 C ATOM 98 CE2 TYR A 7 23.458 -3.501 -4.025 1.00 63.23 C ATOM 99 CZ TYR A 7 22.293 -4.236 -4.089 1.00 32.00 C ATOM 100 OH TYR A 7 22.352 -5.609 -4.153 1.00 74.30 O ATOM 0 H TYR A 7 20.356 -0.601 -5.904 1.00 44.11 H new ATOM 0 HA TYR A 7 21.914 1.796 -5.128 1.00 1.42 H new ATOM 0 HB2 TYR A 7 23.046 0.426 -3.484 1.00 11.31 H new ATOM 0 HB3 TYR A 7 21.320 0.339 -3.196 1.00 11.31 H new ATOM 0 HD1 TYR A 7 20.053 -1.728 -4.029 1.00 24.52 H new ATOM 0 HD2 TYR A 7 24.309 -1.551 -3.910 1.00 50.31 H new ATOM 0 HE1 TYR A 7 20.157 -4.179 -4.140 1.00 22.32 H new ATOM 0 HE2 TYR A 7 24.416 -4.000 -4.025 1.00 63.23 H new ATOM 0 HH TYR A 7 23.289 -5.897 -4.144 1.00 74.30 H new ATOM 110 N ASN A 8 24.009 1.013 -6.305 1.00 54.24 N ATOM 111 CA ASN A 8 25.096 0.699 -7.225 1.00 20.21 C ATOM 112 C ASN A 8 26.406 0.495 -6.469 1.00 75.42 C ATOM 113 O ASN A 8 26.748 1.274 -5.579 1.00 62.43 O ATOM 114 CB ASN A 8 25.259 1.817 -8.257 1.00 34.13 C ATOM 115 CG ASN A 8 23.926 2.364 -8.731 1.00 2.10 C ATOM 116 OD1 ASN A 8 22.912 1.667 -8.706 1.00 12.15 O ATOM 117 ND2 ASN A 8 23.923 3.618 -9.167 1.00 45.42 N ATOM 0 H ASN A 8 24.173 1.834 -5.723 1.00 54.24 H new ATOM 0 HA ASN A 8 24.846 -0.228 -7.741 1.00 20.21 H new ATOM 0 HB2 ASN A 8 25.847 2.626 -7.823 1.00 34.13 H new ATOM 0 HB3 ASN A 8 25.819 1.439 -9.113 1.00 34.13 H new ATOM 0 HD21 ASN A 8 23.056 4.040 -9.499 1.00 45.42 H new ATOM 0 HD22 ASN A 8 24.788 4.159 -9.170 1.00 45.42 H new ATOM 124 N ILE A 9 27.133 -0.557 -6.830 1.00 71.15 N ATOM 125 CA ILE A 9 28.405 -0.862 -6.188 1.00 21.41 C ATOM 126 C ILE A 9 29.564 -0.723 -7.169 1.00 70.23 C ATOM 127 O ILE A 9 29.525 -1.267 -8.273 1.00 21.32 O ATOM 128 CB ILE A 9 28.412 -2.286 -5.601 1.00 61.43 C ATOM 129 CG1 ILE A 9 27.736 -3.262 -6.567 1.00 25.53 C ATOM 130 CG2 ILE A 9 27.717 -2.305 -4.248 1.00 63.10 C ATOM 131 CD1 ILE A 9 27.655 -4.677 -6.037 1.00 61.12 C ATOM 0 H ILE A 9 26.863 -1.212 -7.564 1.00 71.15 H new ATOM 0 HA ILE A 9 28.530 -0.143 -5.378 1.00 21.41 H new ATOM 0 HB ILE A 9 29.446 -2.600 -5.460 1.00 61.43 H new ATOM 0 HG12 ILE A 9 26.729 -2.906 -6.785 1.00 25.53 H new ATOM 0 HG13 ILE A 9 28.284 -3.266 -7.509 1.00 25.53 H new ATOM 0 HG21 ILE A 9 27.730 -3.318 -3.846 1.00 63.10 H new ATOM 0 HG22 ILE A 9 28.237 -1.636 -3.562 1.00 63.10 H new ATOM 0 HG23 ILE A 9 26.685 -1.974 -4.364 1.00 63.10 H new ATOM 0 HD11 ILE A 9 27.165 -5.314 -6.773 1.00 61.12 H new ATOM 0 HD12 ILE A 9 28.660 -5.052 -5.845 1.00 61.12 H new ATOM 0 HD13 ILE A 9 27.082 -4.686 -5.110 1.00 61.12 H new ATOM 143 N SER A 10 30.595 0.008 -6.759 1.00 24.22 N ATOM 144 CA SER A 10 31.766 0.220 -7.602 1.00 54.44 C ATOM 145 C SER A 10 32.988 -0.486 -7.024 1.00 10.43 C ATOM 146 O SER A 10 33.367 -0.254 -5.876 1.00 14.30 O ATOM 147 CB SER A 10 32.049 1.717 -7.750 1.00 60.51 C ATOM 148 OG SER A 10 32.763 1.985 -8.944 1.00 70.25 O ATOM 0 H SER A 10 30.644 0.464 -5.848 1.00 24.22 H new ATOM 0 HA SER A 10 31.557 -0.202 -8.585 1.00 54.44 H new ATOM 0 HB2 SER A 10 31.109 2.269 -7.753 1.00 60.51 H new ATOM 0 HB3 SER A 10 32.623 2.068 -6.893 1.00 60.51 H new ATOM 0 HG SER A 10 33.725 1.982 -8.757 1.00 70.25 H new ATOM 154 N MET A 11 33.601 -1.349 -7.827 1.00 53.45 N ATOM 155 CA MET A 11 34.781 -2.088 -7.396 1.00 62.33 C ATOM 156 C MET A 11 36.051 -1.282 -7.651 1.00 70.44 C ATOM 157 O MET A 11 37.152 -1.719 -7.317 1.00 51.03 O ATOM 158 CB MET A 11 34.861 -3.432 -8.124 1.00 3.14 C ATOM 159 CG MET A 11 35.111 -3.301 -9.617 1.00 54.53 C ATOM 160 SD MET A 11 33.603 -3.474 -10.591 1.00 61.50 S ATOM 161 CE MET A 11 34.108 -2.718 -12.134 1.00 72.54 C ATOM 0 H MET A 11 33.300 -1.554 -8.780 1.00 53.45 H new ATOM 0 HA MET A 11 34.695 -2.268 -6.324 1.00 62.33 H new ATOM 0 HB2 MET A 11 35.659 -4.029 -7.681 1.00 3.14 H new ATOM 0 HB3 MET A 11 33.930 -3.977 -7.966 1.00 3.14 H new ATOM 0 HG2 MET A 11 35.562 -2.330 -9.822 1.00 54.53 H new ATOM 0 HG3 MET A 11 35.830 -4.059 -9.929 1.00 54.53 H new ATOM 0 HE1 MET A 11 33.280 -2.748 -12.842 1.00 72.54 H new ATOM 0 HE2 MET A 11 34.395 -1.682 -11.955 1.00 72.54 H new ATOM 0 HE3 MET A 11 34.957 -3.263 -12.545 1.00 72.54 H new ATOM 171 N ALA A 12 35.890 -0.105 -8.246 1.00 14.44 N ATOM 172 CA ALA A 12 37.023 0.762 -8.544 1.00 12.34 C ATOM 173 C ALA A 12 36.569 2.036 -9.249 1.00 22.02 C ATOM 174 O ALA A 12 35.384 2.364 -9.257 1.00 14.24 O ATOM 175 CB ALA A 12 38.045 0.022 -9.393 1.00 72.33 C ATOM 0 H ALA A 12 34.985 0.270 -8.531 1.00 14.44 H new ATOM 0 HA ALA A 12 37.489 1.047 -7.601 1.00 12.34 H new ATOM 0 HB1 ALA A 12 38.886 0.682 -9.608 1.00 72.33 H new ATOM 0 HB2 ALA A 12 38.401 -0.855 -8.852 1.00 72.33 H new ATOM 0 HB3 ALA A 12 37.582 -0.292 -10.328 1.00 72.33 H new ATOM 181 N GLY A 13 37.522 2.751 -9.840 1.00 54.02 N ATOM 182 CA GLY A 13 37.199 3.981 -10.539 1.00 45.42 C ATOM 183 C GLY A 13 36.770 3.739 -11.972 1.00 73.44 C ATOM 184 O GLY A 13 37.157 4.478 -12.877 1.00 60.44 O ATOM 0 H GLY A 13 38.511 2.501 -9.847 1.00 54.02 H new ATOM 0 HA2 GLY A 13 36.401 4.499 -10.007 1.00 45.42 H new ATOM 0 HA3 GLY A 13 38.068 4.639 -10.530 1.00 45.42 H new ATOM 188 N SER A 14 35.968 2.699 -12.180 1.00 61.11 N ATOM 189 CA SER A 14 35.490 2.357 -13.515 1.00 12.04 C ATOM 190 C SER A 14 33.989 2.084 -13.500 1.00 52.14 C ATOM 191 O SER A 14 33.408 1.801 -12.452 1.00 75.54 O ATOM 192 CB SER A 14 36.237 1.134 -14.049 1.00 60.24 C ATOM 193 OG SER A 14 37.603 1.431 -14.279 1.00 25.03 O ATOM 0 H SER A 14 35.636 2.079 -11.441 1.00 61.11 H new ATOM 0 HA SER A 14 35.681 3.206 -14.172 1.00 12.04 H new ATOM 0 HB2 SER A 14 36.155 0.314 -13.336 1.00 60.24 H new ATOM 0 HB3 SER A 14 35.774 0.797 -14.976 1.00 60.24 H new ATOM 0 HG SER A 14 38.059 0.633 -14.618 1.00 25.03 H new ATOM 199 N HIS A 15 33.367 2.172 -14.672 1.00 34.13 N ATOM 200 CA HIS A 15 31.933 1.934 -14.796 1.00 12.15 C ATOM 201 C HIS A 15 31.448 0.967 -13.720 1.00 33.20 C ATOM 202 O HIS A 15 31.657 -0.244 -13.799 1.00 41.15 O ATOM 203 CB HIS A 15 31.604 1.380 -16.182 1.00 62.11 C ATOM 204 CG HIS A 15 30.165 1.539 -16.565 1.00 60.30 C ATOM 205 ND1 HIS A 15 29.446 2.691 -16.329 1.00 2.52 N ATOM 206 CD2 HIS A 15 29.311 0.682 -17.173 1.00 11.43 C ATOM 207 CE1 HIS A 15 28.212 2.537 -16.773 1.00 73.21 C ATOM 208 NE2 HIS A 15 28.104 1.326 -17.290 1.00 53.33 N ATOM 0 H HIS A 15 33.833 2.406 -15.549 1.00 34.13 H new ATOM 0 HA HIS A 15 31.419 2.886 -14.663 1.00 12.15 H new ATOM 0 HB2 HIS A 15 32.226 1.883 -16.922 1.00 62.11 H new ATOM 0 HB3 HIS A 15 31.865 0.322 -16.213 1.00 62.11 H new ATOM 0 HD2 HIS A 15 29.537 -0.321 -17.504 1.00 11.43 H new ATOM 0 HE1 HIS A 15 27.425 3.275 -16.722 1.00 73.21 H new ATOM 0 HE2 HIS A 15 27.261 0.933 -17.708 1.00 53.33 H new ATOM 216 N PRO A 16 30.784 1.511 -12.689 1.00 45.31 N ATOM 217 CA PRO A 16 30.256 0.714 -11.578 1.00 4.31 C ATOM 218 C PRO A 16 29.081 -0.160 -11.999 1.00 75.44 C ATOM 219 O PRO A 16 28.707 -0.194 -13.172 1.00 71.24 O ATOM 220 CB PRO A 16 29.802 1.771 -10.568 1.00 72.01 C ATOM 221 CG PRO A 16 29.520 2.982 -11.388 1.00 53.23 C ATOM 222 CD PRO A 16 30.499 2.947 -12.529 1.00 74.12 C ATOM 0 HA PRO A 16 30.999 0.020 -11.185 1.00 4.31 H new ATOM 0 HB2 PRO A 16 28.915 1.445 -10.026 1.00 72.01 H new ATOM 0 HB3 PRO A 16 30.575 1.967 -9.825 1.00 72.01 H new ATOM 0 HG2 PRO A 16 28.493 2.975 -11.754 1.00 53.23 H new ATOM 0 HG3 PRO A 16 29.641 3.890 -10.797 1.00 53.23 H new ATOM 0 HD2 PRO A 16 30.074 3.376 -13.436 1.00 74.12 H new ATOM 0 HD3 PRO A 16 31.402 3.513 -12.301 1.00 74.12 H new ATOM 230 N THR A 17 28.499 -0.868 -11.035 1.00 43.42 N ATOM 231 CA THR A 17 27.366 -1.743 -11.307 1.00 1.04 C ATOM 232 C THR A 17 26.108 -1.249 -10.602 1.00 2.54 C ATOM 233 O THR A 17 26.142 -0.898 -9.421 1.00 73.34 O ATOM 234 CB THR A 17 27.655 -3.189 -10.863 1.00 33.43 C ATOM 235 OG1 THR A 17 29.014 -3.530 -11.156 1.00 5.34 O ATOM 236 CG2 THR A 17 26.721 -4.166 -11.561 1.00 35.34 C ATOM 0 H THR A 17 28.794 -0.852 -10.059 1.00 43.42 H new ATOM 0 HA THR A 17 27.205 -1.726 -12.385 1.00 1.04 H new ATOM 0 HB THR A 17 27.488 -3.255 -9.788 1.00 33.43 H new ATOM 0 HG1 THR A 17 29.190 -4.450 -10.869 1.00 5.34 H new ATOM 0 HG21 THR A 17 26.944 -5.181 -11.232 1.00 35.34 H new ATOM 0 HG22 THR A 17 25.688 -3.923 -11.313 1.00 35.34 H new ATOM 0 HG23 THR A 17 26.861 -4.096 -12.640 1.00 35.34 H new ATOM 244 N THR A 18 24.997 -1.223 -11.332 1.00 4.32 N ATOM 245 CA THR A 18 23.728 -0.771 -10.776 1.00 41.34 C ATOM 246 C THR A 18 22.791 -1.945 -10.520 1.00 32.21 C ATOM 247 O THR A 18 22.748 -2.898 -11.298 1.00 74.25 O ATOM 248 CB THR A 18 23.030 0.233 -11.714 1.00 4.03 C ATOM 249 OG1 THR A 18 23.841 1.403 -11.870 1.00 25.31 O ATOM 250 CG2 THR A 18 21.666 0.625 -11.167 1.00 51.14 C ATOM 0 H THR A 18 24.951 -1.510 -12.310 1.00 4.32 H new ATOM 0 HA THR A 18 23.955 -0.278 -9.831 1.00 41.34 H new ATOM 0 HB THR A 18 22.892 -0.245 -12.684 1.00 4.03 H new ATOM 0 HG1 THR A 18 23.391 2.035 -12.469 1.00 25.31 H new ATOM 0 HG21 THR A 18 21.192 1.334 -11.846 1.00 51.14 H new ATOM 0 HG22 THR A 18 21.041 -0.264 -11.076 1.00 51.14 H new ATOM 0 HG23 THR A 18 21.786 1.086 -10.186 1.00 51.14 H new ATOM 258 N ILE A 19 22.042 -1.870 -9.425 1.00 32.20 N ATOM 259 CA ILE A 19 21.104 -2.927 -9.068 1.00 32.11 C ATOM 260 C ILE A 19 19.838 -2.351 -8.443 1.00 53.44 C ATOM 261 O ILE A 19 19.900 -1.437 -7.620 1.00 41.41 O ATOM 262 CB ILE A 19 21.735 -3.932 -8.086 1.00 61.14 C ATOM 263 CG1 ILE A 19 22.406 -5.074 -8.853 1.00 3.33 C ATOM 264 CG2 ILE A 19 20.681 -4.475 -7.133 1.00 11.20 C ATOM 265 CD1 ILE A 19 22.628 -6.315 -8.017 1.00 15.24 C ATOM 0 H ILE A 19 22.067 -1.089 -8.770 1.00 32.20 H new ATOM 0 HA ILE A 19 20.847 -3.446 -9.992 1.00 32.11 H new ATOM 0 HB ILE A 19 22.495 -3.416 -7.500 1.00 61.14 H new ATOM 0 HG12 ILE A 19 21.791 -5.332 -9.715 1.00 3.33 H new ATOM 0 HG13 ILE A 19 23.366 -4.728 -9.237 1.00 3.33 H new ATOM 0 HG21 ILE A 19 21.143 -5.184 -6.446 1.00 11.20 H new ATOM 0 HG22 ILE A 19 20.244 -3.652 -6.567 1.00 11.20 H new ATOM 0 HG23 ILE A 19 19.900 -4.978 -7.703 1.00 11.20 H new ATOM 0 HD11 ILE A 19 23.107 -7.082 -8.625 1.00 15.24 H new ATOM 0 HD12 ILE A 19 23.268 -6.072 -7.169 1.00 15.24 H new ATOM 0 HD13 ILE A 19 21.669 -6.686 -7.654 1.00 15.24 H new ATOM 277 N CYS A 20 18.691 -2.891 -8.839 1.00 33.42 N ATOM 278 CA CYS A 20 17.409 -2.431 -8.317 1.00 35.50 C ATOM 279 C CYS A 20 16.623 -3.588 -7.708 1.00 72.42 C ATOM 280 O CYS A 20 16.254 -4.536 -8.403 1.00 11.44 O ATOM 281 CB CYS A 20 16.590 -1.771 -9.427 1.00 72.32 C ATOM 282 SG CYS A 20 14.914 -1.306 -8.932 1.00 4.44 S ATOM 0 H CYS A 20 18.622 -3.648 -9.520 1.00 33.42 H new ATOM 0 HA CYS A 20 17.605 -1.697 -7.535 1.00 35.50 H new ATOM 0 HB2 CYS A 20 17.116 -0.880 -9.771 1.00 72.32 H new ATOM 0 HB3 CYS A 20 16.531 -2.454 -10.275 1.00 72.32 H new ATOM 0 HG CYS A 20 14.302 -0.754 -9.937 1.00 4.44 H new ATOM 288 N VAL A 21 16.371 -3.505 -6.406 1.00 23.54 N ATOM 289 CA VAL A 21 15.630 -4.546 -5.702 1.00 51.44 C ATOM 290 C VAL A 21 14.697 -3.944 -4.658 1.00 34.34 C ATOM 291 O VAL A 21 14.984 -2.894 -4.083 1.00 61.04 O ATOM 292 CB VAL A 21 16.580 -5.543 -5.013 1.00 74.21 C ATOM 293 CG1 VAL A 21 17.343 -6.356 -6.048 1.00 3.34 C ATOM 294 CG2 VAL A 21 17.537 -4.812 -4.084 1.00 42.15 C ATOM 0 H VAL A 21 16.669 -2.728 -5.817 1.00 23.54 H new ATOM 0 HA VAL A 21 15.040 -5.076 -6.450 1.00 51.44 H new ATOM 0 HB VAL A 21 15.984 -6.231 -4.414 1.00 74.21 H new ATOM 0 HG11 VAL A 21 18.009 -7.055 -5.543 1.00 3.34 H new ATOM 0 HG12 VAL A 21 16.638 -6.910 -6.667 1.00 3.34 H new ATOM 0 HG13 VAL A 21 17.929 -5.686 -6.677 1.00 3.34 H new ATOM 0 HG21 VAL A 21 18.201 -5.532 -3.606 1.00 42.15 H new ATOM 0 HG22 VAL A 21 18.128 -4.099 -4.659 1.00 42.15 H new ATOM 0 HG23 VAL A 21 16.968 -4.280 -3.321 1.00 42.15 H new ATOM 304 N VAL A 22 13.577 -4.618 -4.415 1.00 55.10 N ATOM 305 CA VAL A 22 12.600 -4.151 -3.438 1.00 24.44 C ATOM 306 C VAL A 22 13.167 -4.211 -2.024 1.00 0.14 C ATOM 307 O VAL A 22 14.067 -5.000 -1.737 1.00 50.15 O ATOM 308 CB VAL A 22 11.306 -4.984 -3.496 1.00 30.23 C ATOM 309 CG1 VAL A 22 11.556 -6.396 -2.987 1.00 13.30 C ATOM 310 CG2 VAL A 22 10.202 -4.308 -2.697 1.00 31.32 C ATOM 0 H VAL A 22 13.324 -5.489 -4.881 1.00 55.10 H new ATOM 0 HA VAL A 22 12.368 -3.116 -3.691 1.00 24.44 H new ATOM 0 HB VAL A 22 10.983 -5.050 -4.535 1.00 30.23 H new ATOM 0 HG11 VAL A 22 10.630 -6.969 -3.036 1.00 13.30 H new ATOM 0 HG12 VAL A 22 12.314 -6.877 -3.606 1.00 13.30 H new ATOM 0 HG13 VAL A 22 11.903 -6.354 -1.955 1.00 13.30 H new ATOM 0 HG21 VAL A 22 9.295 -4.910 -2.749 1.00 31.32 H new ATOM 0 HG22 VAL A 22 10.514 -4.210 -1.657 1.00 31.32 H new ATOM 0 HG23 VAL A 22 10.006 -3.319 -3.112 1.00 31.32 H new ATOM 320 N MET A 23 12.633 -3.371 -1.142 1.00 63.34 N ATOM 321 CA MET A 23 13.085 -3.330 0.244 1.00 41.34 C ATOM 322 C MET A 23 13.025 -4.716 0.877 1.00 65.34 C ATOM 323 O MET A 23 13.903 -5.092 1.654 1.00 30.21 O ATOM 324 CB MET A 23 12.231 -2.350 1.052 1.00 65.35 C ATOM 325 CG MET A 23 12.568 -2.330 2.534 1.00 70.43 C ATOM 326 SD MET A 23 11.246 -3.009 3.555 1.00 23.32 S ATOM 327 CE MET A 23 12.021 -4.507 4.159 1.00 33.14 C ATOM 0 H MET A 23 11.888 -2.710 -1.363 1.00 63.34 H new ATOM 0 HA MET A 23 14.121 -2.991 0.252 1.00 41.34 H new ATOM 0 HB2 MET A 23 12.360 -1.347 0.645 1.00 65.35 H new ATOM 0 HB3 MET A 23 11.180 -2.611 0.930 1.00 65.35 H new ATOM 0 HG2 MET A 23 13.482 -2.900 2.703 1.00 70.43 H new ATOM 0 HG3 MET A 23 12.770 -1.305 2.843 1.00 70.43 H new ATOM 0 HE1 MET A 23 11.479 -5.374 3.782 1.00 33.14 H new ATOM 0 HE2 MET A 23 13.054 -4.547 3.814 1.00 33.14 H new ATOM 0 HE3 MET A 23 12.002 -4.512 5.249 1.00 33.14 H new ATOM 337 N ASP A 24 11.986 -5.471 0.539 1.00 20.52 N ATOM 338 CA ASP A 24 11.813 -6.817 1.074 1.00 32.02 C ATOM 339 C ASP A 24 13.009 -7.698 0.727 1.00 73.11 C ATOM 340 O ASP A 24 13.436 -8.526 1.531 1.00 23.32 O ATOM 341 CB ASP A 24 10.527 -7.443 0.531 1.00 24.21 C ATOM 342 CG ASP A 24 10.126 -8.692 1.291 1.00 13.02 C ATOM 343 OD1 ASP A 24 10.249 -8.696 2.534 1.00 11.22 O ATOM 344 OD2 ASP A 24 9.687 -9.665 0.643 1.00 24.13 O ATOM 0 H ASP A 24 11.251 -5.174 -0.103 1.00 20.52 H new ATOM 0 HA ASP A 24 11.742 -6.744 2.159 1.00 32.02 H new ATOM 0 HB2 ASP A 24 9.720 -6.713 0.586 1.00 24.21 H new ATOM 0 HB3 ASP A 24 10.663 -7.690 -0.522 1.00 24.21 H new ATOM 349 N ARG A 25 13.543 -7.514 -0.476 1.00 21.31 N ATOM 350 CA ARG A 25 14.688 -8.294 -0.930 1.00 61.05 C ATOM 351 C ARG A 25 15.986 -7.514 -0.742 1.00 21.42 C ATOM 352 O ARG A 25 17.078 -8.079 -0.812 1.00 72.42 O ATOM 353 CB ARG A 25 14.520 -8.677 -2.402 1.00 52.41 C ATOM 354 CG ARG A 25 13.429 -9.707 -2.642 1.00 72.34 C ATOM 355 CD ARG A 25 13.791 -10.646 -3.783 1.00 32.03 C ATOM 356 NE ARG A 25 14.490 -11.838 -3.310 1.00 1.34 N ATOM 357 CZ ARG A 25 14.711 -12.908 -4.064 1.00 63.14 C ATOM 358 NH1 ARG A 25 14.291 -12.936 -5.321 1.00 55.44 N ATOM 359 NH2 ARG A 25 15.355 -13.954 -3.562 1.00 62.01 N ATOM 0 H ARG A 25 13.201 -6.832 -1.153 1.00 21.31 H new ATOM 0 HA ARG A 25 14.739 -9.202 -0.329 1.00 61.05 H new ATOM 0 HB2 ARG A 25 14.294 -7.780 -2.979 1.00 52.41 H new ATOM 0 HB3 ARG A 25 15.466 -9.068 -2.777 1.00 52.41 H new ATOM 0 HG2 ARG A 25 13.266 -10.284 -1.732 1.00 72.34 H new ATOM 0 HG3 ARG A 25 12.492 -9.200 -2.870 1.00 72.34 H new ATOM 0 HD2 ARG A 25 12.884 -10.943 -4.310 1.00 32.03 H new ATOM 0 HD3 ARG A 25 14.419 -10.119 -4.501 1.00 32.03 H new ATOM 0 HE ARG A 25 14.827 -11.849 -2.347 1.00 1.34 H new ATOM 0 HH11 ARG A 25 13.796 -12.134 -5.711 1.00 55.44 H new ATOM 0 HH12 ARG A 25 14.462 -13.760 -5.898 1.00 55.44 H new ATOM 0 HH21 ARG A 25 15.681 -13.937 -2.596 1.00 62.01 H new ATOM 0 HH22 ARG A 25 15.524 -14.775 -4.143 1.00 62.01 H new ATOM 373 N PHE A 26 15.859 -6.213 -0.502 1.00 64.44 N ATOM 374 CA PHE A 26 17.022 -5.356 -0.305 1.00 41.42 C ATOM 375 C PHE A 26 17.809 -5.782 0.931 1.00 42.14 C ATOM 376 O PHE A 26 19.039 -5.842 0.907 1.00 22.40 O ATOM 377 CB PHE A 26 16.587 -3.895 -0.168 1.00 3.01 C ATOM 378 CG PHE A 26 17.736 -2.939 -0.018 1.00 61.12 C ATOM 379 CD1 PHE A 26 18.840 -3.026 -0.851 1.00 52.15 C ATOM 380 CD2 PHE A 26 17.712 -1.953 0.955 1.00 22.52 C ATOM 381 CE1 PHE A 26 19.899 -2.148 -0.715 1.00 75.02 C ATOM 382 CE2 PHE A 26 18.768 -1.072 1.096 1.00 70.41 C ATOM 383 CZ PHE A 26 19.862 -1.169 0.259 1.00 61.32 C ATOM 0 H PHE A 26 14.963 -5.730 -0.439 1.00 64.44 H new ATOM 0 HA PHE A 26 17.668 -5.456 -1.177 1.00 41.42 H new ATOM 0 HB2 PHE A 26 16.003 -3.614 -1.045 1.00 3.01 H new ATOM 0 HB3 PHE A 26 15.930 -3.799 0.696 1.00 3.01 H new ATOM 0 HD1 PHE A 26 18.873 -3.788 -1.615 1.00 52.15 H new ATOM 0 HD2 PHE A 26 16.858 -1.872 1.611 1.00 22.52 H new ATOM 0 HE1 PHE A 26 20.754 -2.227 -1.370 1.00 75.02 H new ATOM 0 HE2 PHE A 26 18.737 -0.309 1.860 1.00 70.41 H new ATOM 0 HZ PHE A 26 20.687 -0.481 0.366 1.00 61.32 H new ATOM 393 N LEU A 27 17.092 -6.076 2.009 1.00 34.11 N ATOM 394 CA LEU A 27 17.721 -6.497 3.256 1.00 45.41 C ATOM 395 C LEU A 27 18.568 -7.747 3.043 1.00 21.53 C ATOM 396 O LEU A 27 19.726 -7.801 3.456 1.00 63.55 O ATOM 397 CB LEU A 27 16.658 -6.762 4.323 1.00 3.22 C ATOM 398 CG LEU A 27 17.179 -7.076 5.726 1.00 24.01 C ATOM 399 CD1 LEU A 27 16.167 -6.652 6.779 1.00 70.42 C ATOM 400 CD2 LEU A 27 17.499 -8.558 5.857 1.00 71.13 C ATOM 0 H LEU A 27 16.074 -6.031 2.045 1.00 34.11 H new ATOM 0 HA LEU A 27 18.373 -5.692 3.595 1.00 45.41 H new ATOM 0 HB2 LEU A 27 16.009 -5.889 4.385 1.00 3.22 H new ATOM 0 HB3 LEU A 27 16.039 -7.596 3.992 1.00 3.22 H new ATOM 0 HG LEU A 27 18.097 -6.511 5.886 1.00 24.01 H new ATOM 0 HD11 LEU A 27 16.555 -6.883 7.771 1.00 70.42 H new ATOM 0 HD12 LEU A 27 15.988 -5.580 6.701 1.00 70.42 H new ATOM 0 HD13 LEU A 27 15.231 -7.189 6.621 1.00 70.42 H new ATOM 0 HD21 LEU A 27 17.868 -8.763 6.862 1.00 71.13 H new ATOM 0 HD22 LEU A 27 16.597 -9.142 5.676 1.00 71.13 H new ATOM 0 HD23 LEU A 27 18.261 -8.832 5.127 1.00 71.13 H new ATOM 412 N GLU A 28 17.982 -8.750 2.396 1.00 41.44 N ATOM 413 CA GLU A 28 18.684 -9.999 2.127 1.00 21.23 C ATOM 414 C GLU A 28 19.796 -9.790 1.103 1.00 12.32 C ATOM 415 O GLU A 28 20.914 -10.273 1.277 1.00 22.55 O ATOM 416 CB GLU A 28 17.705 -11.062 1.624 1.00 42.14 C ATOM 417 CG GLU A 28 18.144 -12.485 1.926 1.00 74.15 C ATOM 418 CD GLU A 28 17.599 -12.996 3.245 1.00 12.23 C ATOM 419 OE1 GLU A 28 18.041 -12.499 4.302 1.00 30.43 O ATOM 420 OE2 GLU A 28 16.729 -13.892 3.220 1.00 25.24 O ATOM 0 H GLU A 28 17.023 -8.722 2.049 1.00 41.44 H new ATOM 0 HA GLU A 28 19.133 -10.341 3.059 1.00 21.23 H new ATOM 0 HB2 GLU A 28 16.729 -10.888 2.077 1.00 42.14 H new ATOM 0 HB3 GLU A 28 17.582 -10.950 0.547 1.00 42.14 H new ATOM 0 HG2 GLU A 28 17.813 -13.142 1.122 1.00 74.15 H new ATOM 0 HG3 GLU A 28 19.233 -12.529 1.946 1.00 74.15 H new ATOM 427 N SER A 29 19.479 -9.066 0.034 1.00 10.34 N ATOM 428 CA SER A 29 20.449 -8.795 -1.021 1.00 33.35 C ATOM 429 C SER A 29 21.689 -8.109 -0.456 1.00 14.13 C ATOM 430 O SER A 29 22.814 -8.410 -0.853 1.00 43.23 O ATOM 431 CB SER A 29 19.820 -7.923 -2.109 1.00 0.12 C ATOM 432 OG SER A 29 19.726 -6.573 -1.689 1.00 51.31 O ATOM 0 H SER A 29 18.558 -8.657 -0.124 1.00 10.34 H new ATOM 0 HA SER A 29 20.750 -9.747 -1.458 1.00 33.35 H new ATOM 0 HB2 SER A 29 20.418 -7.983 -3.019 1.00 0.12 H new ATOM 0 HB3 SER A 29 18.827 -8.301 -2.354 1.00 0.12 H new ATOM 0 HG SER A 29 19.425 -6.541 -0.757 1.00 51.31 H new ATOM 438 N PHE A 30 21.473 -7.184 0.474 1.00 24.32 N ATOM 439 CA PHE A 30 22.572 -6.453 1.094 1.00 24.22 C ATOM 440 C PHE A 30 23.423 -7.380 1.958 1.00 43.24 C ATOM 441 O PHE A 30 24.652 -7.350 1.894 1.00 23.12 O ATOM 442 CB PHE A 30 22.032 -5.301 1.943 1.00 54.42 C ATOM 443 CG PHE A 30 22.576 -5.280 3.342 1.00 4.34 C ATOM 444 CD1 PHE A 30 23.889 -4.906 3.584 1.00 72.55 C ATOM 445 CD2 PHE A 30 21.776 -5.633 4.417 1.00 41.21 C ATOM 446 CE1 PHE A 30 24.393 -4.887 4.870 1.00 33.33 C ATOM 447 CE2 PHE A 30 22.274 -5.615 5.706 1.00 24.10 C ATOM 448 CZ PHE A 30 23.584 -5.241 5.933 1.00 42.20 C ATOM 0 H PHE A 30 20.548 -6.923 0.814 1.00 24.32 H new ATOM 0 HA PHE A 30 23.199 -6.047 0.300 1.00 24.22 H new ATOM 0 HB2 PHE A 30 22.272 -4.357 1.454 1.00 54.42 H new ATOM 0 HB3 PHE A 30 20.945 -5.370 1.986 1.00 54.42 H new ATOM 0 HD1 PHE A 30 24.525 -4.626 2.757 1.00 72.55 H new ATOM 0 HD2 PHE A 30 20.751 -5.926 4.245 1.00 41.21 H new ATOM 0 HE1 PHE A 30 25.418 -4.596 5.045 1.00 33.33 H new ATOM 0 HE2 PHE A 30 21.640 -5.893 6.535 1.00 24.10 H new ATOM 0 HZ PHE A 30 23.975 -5.225 6.939 1.00 42.20 H new ATOM 458 N SER A 31 22.760 -8.202 2.765 1.00 50.33 N ATOM 459 CA SER A 31 23.454 -9.134 3.645 1.00 64.33 C ATOM 460 C SER A 31 24.406 -10.024 2.851 1.00 61.11 C ATOM 461 O SER A 31 25.563 -10.206 3.229 1.00 34.34 O ATOM 462 CB SER A 31 22.446 -9.997 4.405 1.00 21.55 C ATOM 463 OG SER A 31 23.102 -10.872 5.307 1.00 34.32 O ATOM 0 H SER A 31 21.743 -8.241 2.827 1.00 50.33 H new ATOM 0 HA SER A 31 24.037 -8.554 4.360 1.00 64.33 H new ATOM 0 HB2 SER A 31 21.754 -9.357 4.953 1.00 21.55 H new ATOM 0 HB3 SER A 31 21.852 -10.576 3.698 1.00 21.55 H new ATOM 0 HG SER A 31 22.436 -11.412 5.782 1.00 34.32 H new ATOM 469 N GLU A 32 23.909 -10.575 1.748 1.00 63.51 N ATOM 470 CA GLU A 32 24.715 -11.447 0.901 1.00 71.21 C ATOM 471 C GLU A 32 25.722 -10.638 0.089 1.00 54.43 C ATOM 472 O GLU A 32 26.876 -11.039 -0.069 1.00 14.22 O ATOM 473 CB GLU A 32 23.817 -12.255 -0.039 1.00 13.45 C ATOM 474 CG GLU A 32 24.485 -13.498 -0.600 1.00 20.42 C ATOM 475 CD GLU A 32 24.531 -14.638 0.400 1.00 55.23 C ATOM 476 OE1 GLU A 32 25.437 -14.637 1.259 1.00 42.43 O ATOM 477 OE2 GLU A 32 23.660 -15.530 0.323 1.00 25.11 O ATOM 0 H GLU A 32 22.954 -10.433 1.420 1.00 63.51 H new ATOM 0 HA GLU A 32 25.263 -12.133 1.547 1.00 71.21 H new ATOM 0 HB2 GLU A 32 22.915 -12.549 0.498 1.00 13.45 H new ATOM 0 HB3 GLU A 32 23.503 -11.617 -0.865 1.00 13.45 H new ATOM 0 HG2 GLU A 32 23.949 -13.823 -1.491 1.00 20.42 H new ATOM 0 HG3 GLU A 32 25.500 -13.251 -0.911 1.00 20.42 H new ATOM 484 N LEU A 33 25.277 -9.496 -0.425 1.00 73.44 N ATOM 485 CA LEU A 33 26.137 -8.629 -1.222 1.00 65.24 C ATOM 486 C LEU A 33 27.392 -8.243 -0.445 1.00 33.43 C ATOM 487 O LEU A 33 28.487 -8.184 -1.003 1.00 63.54 O ATOM 488 CB LEU A 33 25.377 -7.370 -1.643 1.00 62.44 C ATOM 489 CG LEU A 33 26.169 -6.350 -2.462 1.00 70.45 C ATOM 490 CD1 LEU A 33 26.955 -5.425 -1.547 1.00 24.42 C ATOM 491 CD2 LEU A 33 27.100 -7.057 -3.437 1.00 52.55 C ATOM 0 H LEU A 33 24.325 -9.149 -0.304 1.00 73.44 H new ATOM 0 HA LEU A 33 26.439 -9.179 -2.114 1.00 65.24 H new ATOM 0 HB2 LEU A 33 24.505 -7.673 -2.223 1.00 62.44 H new ATOM 0 HB3 LEU A 33 25.007 -6.876 -0.745 1.00 62.44 H new ATOM 0 HG LEU A 33 25.465 -5.747 -3.035 1.00 70.45 H new ATOM 0 HD11 LEU A 33 27.512 -4.706 -2.148 1.00 24.42 H new ATOM 0 HD12 LEU A 33 26.267 -4.893 -0.890 1.00 24.42 H new ATOM 0 HD13 LEU A 33 27.650 -6.012 -0.946 1.00 24.42 H new ATOM 0 HD21 LEU A 33 27.656 -6.316 -4.012 1.00 52.55 H new ATOM 0 HD22 LEU A 33 27.798 -7.685 -2.883 1.00 52.55 H new ATOM 0 HD23 LEU A 33 26.514 -7.677 -4.115 1.00 52.55 H new ATOM 503 N TYR A 34 27.224 -7.984 0.847 1.00 13.50 N ATOM 504 CA TYR A 34 28.342 -7.603 1.702 1.00 61.22 C ATOM 505 C TYR A 34 29.329 -8.757 1.852 1.00 4.54 C ATOM 506 O TYR A 34 30.535 -8.543 1.985 1.00 73.40 O ATOM 507 CB TYR A 34 27.835 -7.169 3.078 1.00 53.42 C ATOM 508 CG TYR A 34 28.930 -7.030 4.111 1.00 31.20 C ATOM 509 CD1 TYR A 34 29.683 -5.866 4.202 1.00 51.21 C ATOM 510 CD2 TYR A 34 29.213 -8.064 4.996 1.00 55.44 C ATOM 511 CE1 TYR A 34 30.685 -5.735 5.144 1.00 40.13 C ATOM 512 CE2 TYR A 34 30.212 -7.941 5.942 1.00 53.14 C ATOM 513 CZ TYR A 34 30.945 -6.775 6.012 1.00 43.14 C ATOM 514 OH TYR A 34 31.942 -6.649 6.952 1.00 64.45 O ATOM 0 H TYR A 34 26.324 -8.031 1.325 1.00 13.50 H new ATOM 0 HA TYR A 34 28.857 -6.765 1.232 1.00 61.22 H new ATOM 0 HB2 TYR A 34 27.316 -6.215 2.980 1.00 53.42 H new ATOM 0 HB3 TYR A 34 27.103 -7.895 3.432 1.00 53.42 H new ATOM 0 HD1 TYR A 34 29.482 -5.049 3.525 1.00 51.21 H new ATOM 0 HD2 TYR A 34 28.642 -8.979 4.943 1.00 55.44 H new ATOM 0 HE1 TYR A 34 31.261 -4.823 5.200 1.00 40.13 H new ATOM 0 HE2 TYR A 34 30.418 -8.754 6.623 1.00 53.14 H new ATOM 0 HH TYR A 34 31.844 -7.351 7.629 1.00 64.45 H new ATOM 524 N ASP A 35 28.809 -9.979 1.830 1.00 1.43 N ATOM 525 CA ASP A 35 29.643 -11.167 1.962 1.00 24.34 C ATOM 526 C ASP A 35 30.446 -11.412 0.689 1.00 45.14 C ATOM 527 O ASP A 35 31.551 -11.954 0.734 1.00 30.43 O ATOM 528 CB ASP A 35 28.780 -12.390 2.278 1.00 2.35 C ATOM 529 CG ASP A 35 29.152 -13.035 3.599 1.00 32.10 C ATOM 530 OD1 ASP A 35 30.098 -13.850 3.616 1.00 22.10 O ATOM 531 OD2 ASP A 35 28.497 -12.724 4.616 1.00 70.53 O ATOM 0 H ASP A 35 27.813 -10.173 1.722 1.00 1.43 H new ATOM 0 HA ASP A 35 30.340 -11.001 2.784 1.00 24.34 H new ATOM 0 HB2 ASP A 35 27.731 -12.094 2.304 1.00 2.35 H new ATOM 0 HB3 ASP A 35 28.885 -13.122 1.477 1.00 2.35 H new ATOM 536 N ILE A 36 29.884 -11.009 -0.446 1.00 31.42 N ATOM 537 CA ILE A 36 30.548 -11.185 -1.731 1.00 72.05 C ATOM 538 C ILE A 36 31.356 -9.947 -2.106 1.00 70.45 C ATOM 539 O ILE A 36 32.275 -10.018 -2.923 1.00 51.11 O ATOM 540 CB ILE A 36 29.534 -11.482 -2.853 1.00 3.44 C ATOM 541 CG1 ILE A 36 30.245 -11.556 -4.206 1.00 32.24 C ATOM 542 CG2 ILE A 36 28.446 -10.419 -2.878 1.00 0.35 C ATOM 543 CD1 ILE A 36 30.109 -10.295 -5.030 1.00 2.04 C ATOM 0 H ILE A 36 28.971 -10.559 -0.501 1.00 31.42 H new ATOM 0 HA ILE A 36 31.220 -12.037 -1.625 1.00 72.05 H new ATOM 0 HB ILE A 36 29.068 -12.447 -2.655 1.00 3.44 H new ATOM 0 HG12 ILE A 36 31.303 -11.760 -4.041 1.00 32.24 H new ATOM 0 HG13 ILE A 36 29.843 -12.396 -4.773 1.00 32.24 H new ATOM 0 HG21 ILE A 36 27.737 -10.642 -3.676 1.00 0.35 H new ATOM 0 HG22 ILE A 36 27.924 -10.410 -1.921 1.00 0.35 H new ATOM 0 HG23 ILE A 36 28.896 -9.442 -3.055 1.00 0.35 H new ATOM 0 HD11 ILE A 36 30.637 -10.419 -5.975 1.00 2.04 H new ATOM 0 HD12 ILE A 36 29.055 -10.101 -5.226 1.00 2.04 H new ATOM 0 HD13 ILE A 36 30.537 -9.455 -4.483 1.00 2.04 H new ATOM 555 N ILE A 37 31.008 -8.816 -1.503 1.00 45.44 N ATOM 556 CA ILE A 37 31.704 -7.563 -1.772 1.00 13.11 C ATOM 557 C ILE A 37 33.187 -7.674 -1.435 1.00 72.34 C ATOM 558 O ILE A 37 34.000 -6.873 -1.896 1.00 2.23 O ATOM 559 CB ILE A 37 31.093 -6.397 -0.971 1.00 62.52 C ATOM 560 CG1 ILE A 37 31.461 -5.059 -1.616 1.00 74.40 C ATOM 561 CG2 ILE A 37 31.566 -6.443 0.474 1.00 2.21 C ATOM 562 CD1 ILE A 37 30.678 -4.761 -2.876 1.00 4.22 C ATOM 0 H ILE A 37 30.249 -8.741 -0.826 1.00 45.44 H new ATOM 0 HA ILE A 37 31.590 -7.361 -2.837 1.00 13.11 H new ATOM 0 HB ILE A 37 30.008 -6.497 -0.981 1.00 62.52 H new ATOM 0 HG12 ILE A 37 31.293 -4.259 -0.895 1.00 74.40 H new ATOM 0 HG13 ILE A 37 32.525 -5.058 -1.850 1.00 74.40 H new ATOM 0 HG21 ILE A 37 31.126 -5.613 1.027 1.00 2.21 H new ATOM 0 HG22 ILE A 37 31.259 -7.385 0.928 1.00 2.21 H new ATOM 0 HG23 ILE A 37 32.653 -6.363 0.504 1.00 2.21 H new ATOM 0 HD11 ILE A 37 30.990 -3.798 -3.279 1.00 4.22 H new ATOM 0 HD12 ILE A 37 30.865 -5.541 -3.614 1.00 4.22 H new ATOM 0 HD13 ILE A 37 29.613 -4.729 -2.644 1.00 4.22 H new ATOM 574 N ASP A 38 33.532 -8.674 -0.631 1.00 51.23 N ATOM 575 CA ASP A 38 34.918 -8.893 -0.235 1.00 41.31 C ATOM 576 C ASP A 38 35.774 -9.274 -1.439 1.00 73.40 C ATOM 577 O ASP A 38 36.993 -9.114 -1.421 1.00 4.50 O ATOM 578 CB ASP A 38 35.000 -9.986 0.831 1.00 35.04 C ATOM 579 CG ASP A 38 36.237 -9.859 1.698 1.00 40.41 C ATOM 580 OD1 ASP A 38 37.063 -8.963 1.425 1.00 42.51 O ATOM 581 OD2 ASP A 38 36.379 -10.654 2.650 1.00 71.45 O ATOM 0 H ASP A 38 32.871 -9.346 -0.241 1.00 51.23 H new ATOM 0 HA ASP A 38 35.302 -7.962 0.181 1.00 41.31 H new ATOM 0 HB2 ASP A 38 34.112 -9.941 1.462 1.00 35.04 H new ATOM 0 HB3 ASP A 38 34.998 -10.962 0.347 1.00 35.04 H new ATOM 586 N GLU A 39 35.125 -9.782 -2.483 1.00 10.43 N ATOM 587 CA GLU A 39 35.828 -10.188 -3.694 1.00 53.11 C ATOM 588 C GLU A 39 36.028 -9.000 -4.631 1.00 74.44 C ATOM 589 O GLU A 39 35.577 -7.891 -4.350 1.00 33.15 O ATOM 590 CB GLU A 39 35.053 -11.294 -4.413 1.00 72.20 C ATOM 591 CG GLU A 39 35.525 -12.695 -4.062 1.00 64.02 C ATOM 592 CD GLU A 39 34.600 -13.773 -4.593 1.00 43.11 C ATOM 593 OE1 GLU A 39 33.396 -13.735 -4.265 1.00 11.43 O ATOM 594 OE2 GLU A 39 35.080 -14.654 -5.336 1.00 61.21 O ATOM 0 H GLU A 39 34.115 -9.922 -2.514 1.00 10.43 H new ATOM 0 HA GLU A 39 36.807 -10.569 -3.405 1.00 53.11 H new ATOM 0 HB2 GLU A 39 33.995 -11.204 -4.167 1.00 72.20 H new ATOM 0 HB3 GLU A 39 35.143 -11.148 -5.489 1.00 72.20 H new ATOM 0 HG2 GLU A 39 36.526 -12.849 -4.466 1.00 64.02 H new ATOM 0 HG3 GLU A 39 35.601 -12.788 -2.979 1.00 64.02 H new ATOM 601 N ASN A 40 36.708 -9.243 -5.747 1.00 52.32 N ATOM 602 CA ASN A 40 36.969 -8.194 -6.726 1.00 41.31 C ATOM 603 C ASN A 40 36.908 -8.748 -8.146 1.00 41.44 C ATOM 604 O ASN A 40 37.352 -8.101 -9.095 1.00 51.04 O ATOM 605 CB ASN A 40 38.338 -7.560 -6.472 1.00 64.12 C ATOM 606 CG ASN A 40 38.549 -6.294 -7.281 1.00 33.42 C ATOM 607 OD1 ASN A 40 37.644 -5.470 -7.410 1.00 51.32 O ATOM 608 ND2 ASN A 40 39.747 -6.136 -7.830 1.00 3.31 N ATOM 0 H ASN A 40 37.088 -10.156 -5.996 1.00 52.32 H new ATOM 0 HA ASN A 40 36.198 -7.431 -6.619 1.00 41.31 H new ATOM 0 HB2 ASN A 40 38.438 -7.331 -5.411 1.00 64.12 H new ATOM 0 HB3 ASN A 40 39.119 -8.279 -6.718 1.00 64.12 H new ATOM 0 HD21 ASN A 40 39.948 -5.305 -8.386 1.00 3.31 H new ATOM 0 HD22 ASN A 40 40.467 -6.846 -7.696 1.00 3.31 H new ATOM 615 N ASP A 41 36.355 -9.948 -8.284 1.00 43.31 N ATOM 616 CA ASP A 41 36.234 -10.589 -9.588 1.00 42.44 C ATOM 617 C ASP A 41 34.996 -10.090 -10.326 1.00 54.20 C ATOM 618 O ASP A 41 33.912 -9.993 -9.749 1.00 20.43 O ATOM 619 CB ASP A 41 36.171 -12.108 -9.430 1.00 21.53 C ATOM 620 CG ASP A 41 37.510 -12.707 -9.045 1.00 11.54 C ATOM 621 OD1 ASP A 41 37.964 -12.462 -7.907 1.00 45.53 O ATOM 622 OD2 ASP A 41 38.103 -13.420 -9.880 1.00 73.21 O ATOM 0 H ASP A 41 35.983 -10.497 -7.509 1.00 43.31 H new ATOM 0 HA ASP A 41 37.115 -10.329 -10.176 1.00 42.44 H new ATOM 0 HB2 ASP A 41 35.431 -12.361 -8.670 1.00 21.53 H new ATOM 0 HB3 ASP A 41 35.832 -12.554 -10.365 1.00 21.53 H new ATOM 627 N THR A 42 35.163 -9.772 -11.606 1.00 71.52 N ATOM 628 CA THR A 42 34.060 -9.281 -12.422 1.00 71.44 C ATOM 629 C THR A 42 33.045 -10.385 -12.697 1.00 62.41 C ATOM 630 O THR A 42 31.839 -10.139 -12.729 1.00 23.31 O ATOM 631 CB THR A 42 34.562 -8.716 -13.764 1.00 63.14 C ATOM 632 OG1 THR A 42 34.973 -9.786 -14.623 1.00 50.45 O ATOM 633 CG2 THR A 42 35.724 -7.759 -13.547 1.00 43.31 C ATOM 0 H THR A 42 36.052 -9.846 -12.100 1.00 71.52 H new ATOM 0 HA THR A 42 33.580 -8.482 -11.856 1.00 71.44 H new ATOM 0 HB THR A 42 33.743 -8.169 -14.232 1.00 63.14 H new ATOM 0 HG1 THR A 42 35.289 -9.419 -15.475 1.00 50.45 H new ATOM 0 HG21 THR A 42 36.062 -7.373 -14.509 1.00 43.31 H new ATOM 0 HG22 THR A 42 35.400 -6.931 -12.917 1.00 43.31 H new ATOM 0 HG23 THR A 42 36.544 -8.287 -13.060 1.00 43.31 H new ATOM 641 N ASP A 43 33.541 -11.602 -12.894 1.00 73.12 N ATOM 642 CA ASP A 43 32.676 -12.745 -13.164 1.00 63.15 C ATOM 643 C ASP A 43 31.799 -13.061 -11.957 1.00 3.22 C ATOM 644 O ASP A 43 30.602 -13.311 -12.094 1.00 71.55 O ATOM 645 CB ASP A 43 33.515 -13.969 -13.535 1.00 72.35 C ATOM 646 CG ASP A 43 32.742 -14.967 -14.375 1.00 61.42 C ATOM 647 OD1 ASP A 43 31.893 -14.533 -15.182 1.00 20.21 O ATOM 648 OD2 ASP A 43 32.987 -16.183 -14.226 1.00 51.43 O ATOM 0 H ASP A 43 34.537 -11.822 -12.872 1.00 73.12 H new ATOM 0 HA ASP A 43 32.029 -12.489 -14.003 1.00 63.15 H new ATOM 0 HB2 ASP A 43 34.401 -13.647 -14.082 1.00 72.35 H new ATOM 0 HB3 ASP A 43 33.863 -14.457 -12.625 1.00 72.35 H new ATOM 653 N VAL A 44 32.404 -13.048 -10.773 1.00 50.31 N ATOM 654 CA VAL A 44 31.679 -13.333 -9.541 1.00 15.51 C ATOM 655 C VAL A 44 30.694 -12.216 -9.212 1.00 41.21 C ATOM 656 O VAL A 44 29.573 -12.472 -8.774 1.00 22.13 O ATOM 657 CB VAL A 44 32.641 -13.519 -8.353 1.00 63.42 C ATOM 658 CG1 VAL A 44 31.868 -13.598 -7.046 1.00 33.41 C ATOM 659 CG2 VAL A 44 33.497 -14.761 -8.552 1.00 31.42 C ATOM 0 H VAL A 44 33.395 -12.843 -10.642 1.00 50.31 H new ATOM 0 HA VAL A 44 31.131 -14.261 -9.704 1.00 15.51 H new ATOM 0 HB VAL A 44 33.302 -12.653 -8.304 1.00 63.42 H new ATOM 0 HG11 VAL A 44 32.565 -13.729 -6.218 1.00 33.41 H new ATOM 0 HG12 VAL A 44 31.303 -12.677 -6.901 1.00 33.41 H new ATOM 0 HG13 VAL A 44 31.181 -14.444 -7.080 1.00 33.41 H new ATOM 0 HG21 VAL A 44 34.171 -14.878 -7.704 1.00 31.42 H new ATOM 0 HG22 VAL A 44 32.854 -15.638 -8.628 1.00 31.42 H new ATOM 0 HG23 VAL A 44 34.080 -14.658 -9.467 1.00 31.42 H new ATOM 669 N MET A 45 31.121 -10.976 -9.428 1.00 11.25 N ATOM 670 CA MET A 45 30.276 -9.819 -9.156 1.00 13.05 C ATOM 671 C MET A 45 29.135 -9.730 -10.164 1.00 72.11 C ATOM 672 O MET A 45 27.985 -9.493 -9.795 1.00 30.30 O ATOM 673 CB MET A 45 31.106 -8.534 -9.192 1.00 75.22 C ATOM 674 CG MET A 45 31.538 -8.050 -7.817 1.00 75.44 C ATOM 675 SD MET A 45 31.930 -6.291 -7.792 1.00 41.21 S ATOM 676 CE MET A 45 30.299 -5.583 -7.580 1.00 14.14 C ATOM 0 H MET A 45 32.047 -10.747 -9.790 1.00 11.25 H new ATOM 0 HA MET A 45 29.849 -9.939 -8.160 1.00 13.05 H new ATOM 0 HB2 MET A 45 31.992 -8.701 -9.804 1.00 75.22 H new ATOM 0 HB3 MET A 45 30.526 -7.750 -9.678 1.00 75.22 H new ATOM 0 HG2 MET A 45 30.743 -8.251 -7.099 1.00 75.44 H new ATOM 0 HG3 MET A 45 32.411 -8.617 -7.494 1.00 75.44 H new ATOM 0 HE1 MET A 45 30.380 -4.634 -7.050 1.00 14.14 H new ATOM 0 HE2 MET A 45 29.845 -5.416 -8.557 1.00 14.14 H new ATOM 0 HE3 MET A 45 29.677 -6.268 -7.004 1.00 14.14 H new ATOM 686 N MET A 46 29.461 -9.921 -11.438 1.00 70.32 N ATOM 687 CA MET A 46 28.462 -9.863 -12.499 1.00 63.43 C ATOM 688 C MET A 46 27.461 -11.006 -12.366 1.00 73.12 C ATOM 689 O MET A 46 26.270 -10.834 -12.629 1.00 63.41 O ATOM 690 CB MET A 46 29.139 -9.920 -13.870 1.00 25.30 C ATOM 691 CG MET A 46 29.595 -11.316 -14.265 1.00 42.52 C ATOM 692 SD MET A 46 30.310 -11.370 -15.919 1.00 64.15 S ATOM 693 CE MET A 46 31.502 -10.036 -15.817 1.00 74.45 C ATOM 0 H MET A 46 30.408 -10.117 -11.761 1.00 70.32 H new ATOM 0 HA MET A 46 27.924 -8.919 -12.406 1.00 63.43 H new ATOM 0 HB2 MET A 46 28.446 -9.546 -14.624 1.00 25.30 H new ATOM 0 HB3 MET A 46 30.000 -9.252 -13.869 1.00 25.30 H new ATOM 0 HG2 MET A 46 30.331 -11.672 -13.543 1.00 42.52 H new ATOM 0 HG3 MET A 46 28.746 -11.998 -14.218 1.00 42.52 H new ATOM 0 HE1 MET A 46 31.964 -9.885 -16.793 1.00 74.45 H new ATOM 0 HE2 MET A 46 30.998 -9.120 -15.509 1.00 74.45 H new ATOM 0 HE3 MET A 46 32.271 -10.290 -15.087 1.00 74.45 H new ATOM 703 N ASP A 47 27.950 -12.171 -11.957 1.00 64.33 N ATOM 704 CA ASP A 47 27.098 -13.342 -11.789 1.00 33.23 C ATOM 705 C ASP A 47 26.163 -13.167 -10.596 1.00 3.23 C ATOM 706 O ASP A 47 24.982 -13.507 -10.664 1.00 20.23 O ATOM 707 CB ASP A 47 27.951 -14.598 -11.604 1.00 35.31 C ATOM 708 CG ASP A 47 27.131 -15.794 -11.161 1.00 22.45 C ATOM 709 OD1 ASP A 47 26.033 -16.001 -11.718 1.00 33.10 O ATOM 710 OD2 ASP A 47 27.589 -16.524 -10.257 1.00 32.23 O ATOM 0 H ASP A 47 28.933 -12.330 -11.735 1.00 64.33 H new ATOM 0 HA ASP A 47 26.493 -13.453 -12.689 1.00 33.23 H new ATOM 0 HB2 ASP A 47 28.454 -14.833 -12.542 1.00 35.31 H new ATOM 0 HB3 ASP A 47 28.728 -14.400 -10.866 1.00 35.31 H new ATOM 715 N PHE A 48 26.701 -12.634 -9.503 1.00 74.40 N ATOM 716 CA PHE A 48 25.916 -12.416 -8.294 1.00 15.42 C ATOM 717 C PHE A 48 24.943 -11.255 -8.480 1.00 14.15 C ATOM 718 O PHE A 48 23.771 -11.349 -8.112 1.00 40.52 O ATOM 719 CB PHE A 48 26.838 -12.138 -7.105 1.00 13.41 C ATOM 720 CG PHE A 48 26.109 -11.672 -5.877 1.00 32.42 C ATOM 721 CD1 PHE A 48 25.839 -10.327 -5.683 1.00 22.33 C ATOM 722 CD2 PHE A 48 25.694 -12.580 -4.916 1.00 74.40 C ATOM 723 CE1 PHE A 48 25.168 -9.896 -4.554 1.00 3.11 C ATOM 724 CE2 PHE A 48 25.022 -12.155 -3.785 1.00 70.15 C ATOM 725 CZ PHE A 48 24.760 -10.811 -3.604 1.00 21.15 C ATOM 0 H PHE A 48 27.677 -12.346 -9.430 1.00 74.40 H new ATOM 0 HA PHE A 48 25.341 -13.321 -8.095 1.00 15.42 H new ATOM 0 HB2 PHE A 48 27.393 -13.045 -6.866 1.00 13.41 H new ATOM 0 HB3 PHE A 48 27.570 -11.383 -7.392 1.00 13.41 H new ATOM 0 HD1 PHE A 48 26.157 -9.607 -6.423 1.00 22.33 H new ATOM 0 HD2 PHE A 48 25.898 -13.632 -5.052 1.00 74.40 H new ATOM 0 HE1 PHE A 48 24.963 -8.845 -4.415 1.00 3.11 H new ATOM 0 HE2 PHE A 48 24.702 -12.873 -3.044 1.00 70.15 H new ATOM 0 HZ PHE A 48 24.237 -10.476 -2.721 1.00 21.15 H new ATOM 735 N ILE A 49 25.437 -10.162 -9.051 1.00 70.23 N ATOM 736 CA ILE A 49 24.612 -8.984 -9.286 1.00 40.34 C ATOM 737 C ILE A 49 23.446 -9.305 -10.215 1.00 30.20 C ATOM 738 O ILE A 49 22.297 -8.974 -9.923 1.00 30.10 O ATOM 739 CB ILE A 49 25.435 -7.832 -9.894 1.00 21.41 C ATOM 740 CG1 ILE A 49 25.961 -6.914 -8.789 1.00 22.11 C ATOM 741 CG2 ILE A 49 24.593 -7.046 -10.887 1.00 70.14 C ATOM 742 CD1 ILE A 49 27.054 -7.541 -7.952 1.00 11.15 C ATOM 0 H ILE A 49 26.405 -10.068 -9.359 1.00 70.23 H new ATOM 0 HA ILE A 49 24.225 -8.672 -8.316 1.00 40.34 H new ATOM 0 HB ILE A 49 26.287 -8.255 -10.426 1.00 21.41 H new ATOM 0 HG12 ILE A 49 26.340 -5.997 -9.240 1.00 22.11 H new ATOM 0 HG13 ILE A 49 25.134 -6.631 -8.138 1.00 22.11 H new ATOM 0 HG21 ILE A 49 25.188 -6.236 -11.308 1.00 70.14 H new ATOM 0 HG22 ILE A 49 24.263 -7.708 -11.688 1.00 70.14 H new ATOM 0 HG23 ILE A 49 23.723 -6.631 -10.378 1.00 70.14 H new ATOM 0 HD11 ILE A 49 27.379 -6.834 -7.189 1.00 11.15 H new ATOM 0 HD12 ILE A 49 26.673 -8.443 -7.473 1.00 11.15 H new ATOM 0 HD13 ILE A 49 27.899 -7.799 -8.591 1.00 11.15 H new ATOM 754 N SER A 50 23.750 -9.954 -11.334 1.00 73.35 N ATOM 755 CA SER A 50 22.727 -10.320 -12.308 1.00 1.53 C ATOM 756 C SER A 50 21.736 -11.313 -11.708 1.00 4.30 C ATOM 757 O SER A 50 20.536 -11.245 -11.973 1.00 31.32 O ATOM 758 CB SER A 50 23.374 -10.919 -13.558 1.00 52.20 C ATOM 759 OG SER A 50 22.510 -10.819 -14.677 1.00 11.21 O ATOM 0 H SER A 50 24.696 -10.237 -11.589 1.00 73.35 H new ATOM 0 HA SER A 50 22.185 -9.416 -12.586 1.00 1.53 H new ATOM 0 HB2 SER A 50 24.310 -10.402 -13.770 1.00 52.20 H new ATOM 0 HB3 SER A 50 23.621 -11.965 -13.378 1.00 52.20 H new ATOM 0 HG SER A 50 22.947 -11.207 -15.463 1.00 11.21 H new ATOM 765 N ARG A 51 22.248 -12.234 -10.899 1.00 25.14 N ATOM 766 CA ARG A 51 21.410 -13.243 -10.262 1.00 2.53 C ATOM 767 C ARG A 51 20.564 -12.625 -9.152 1.00 44.41 C ATOM 768 O ARG A 51 19.466 -13.097 -8.858 1.00 22.01 O ATOM 769 CB ARG A 51 22.274 -14.369 -9.692 1.00 3.12 C ATOM 770 CG ARG A 51 21.480 -15.598 -9.282 1.00 70.44 C ATOM 771 CD ARG A 51 20.967 -16.359 -10.495 1.00 34.11 C ATOM 772 NE ARG A 51 20.052 -17.434 -10.120 1.00 12.13 N ATOM 773 CZ ARG A 51 19.340 -18.133 -10.997 1.00 22.11 C ATOM 774 NH1 ARG A 51 19.438 -17.872 -12.293 1.00 71.01 N ATOM 775 NH2 ARG A 51 18.529 -19.096 -10.578 1.00 23.10 N ATOM 0 H ARG A 51 23.239 -12.303 -10.669 1.00 25.14 H new ATOM 0 HA ARG A 51 20.742 -13.655 -11.019 1.00 2.53 H new ATOM 0 HB2 ARG A 51 23.016 -14.658 -10.436 1.00 3.12 H new ATOM 0 HB3 ARG A 51 22.820 -13.994 -8.826 1.00 3.12 H new ATOM 0 HG2 ARG A 51 22.108 -16.254 -8.678 1.00 70.44 H new ATOM 0 HG3 ARG A 51 20.639 -15.298 -8.657 1.00 70.44 H new ATOM 0 HD2 ARG A 51 20.459 -15.668 -11.168 1.00 34.11 H new ATOM 0 HD3 ARG A 51 21.811 -16.776 -11.045 1.00 34.11 H new ATOM 0 HE ARG A 51 19.954 -17.660 -9.130 1.00 12.13 H new ATOM 0 HH11 ARG A 51 20.061 -17.133 -12.619 1.00 71.01 H new ATOM 0 HH12 ARG A 51 18.890 -18.410 -12.964 1.00 71.01 H new ATOM 0 HH21 ARG A 51 18.452 -19.300 -9.582 1.00 23.10 H new ATOM 0 HH22 ARG A 51 17.983 -19.632 -11.252 1.00 23.10 H new ATOM 789 N PHE A 52 21.084 -11.566 -8.539 1.00 71.11 N ATOM 790 CA PHE A 52 20.378 -10.884 -7.461 1.00 34.22 C ATOM 791 C PHE A 52 19.566 -9.710 -7.999 1.00 42.55 C ATOM 792 O PHE A 52 18.763 -9.115 -7.282 1.00 33.35 O ATOM 793 CB PHE A 52 21.369 -10.392 -6.404 1.00 41.04 C ATOM 794 CG PHE A 52 21.607 -11.380 -5.299 1.00 32.43 C ATOM 795 CD1 PHE A 52 21.855 -12.713 -5.584 1.00 61.14 C ATOM 796 CD2 PHE A 52 21.581 -10.977 -3.973 1.00 43.44 C ATOM 797 CE1 PHE A 52 22.075 -13.625 -4.569 1.00 73.23 C ATOM 798 CE2 PHE A 52 21.800 -11.884 -2.954 1.00 45.03 C ATOM 799 CZ PHE A 52 22.046 -13.210 -3.252 1.00 62.14 C ATOM 0 H PHE A 52 21.992 -11.162 -8.771 1.00 71.11 H new ATOM 0 HA PHE A 52 19.693 -11.597 -7.002 1.00 34.22 H new ATOM 0 HB2 PHE A 52 22.319 -10.163 -6.887 1.00 41.04 H new ATOM 0 HB3 PHE A 52 20.998 -9.461 -5.975 1.00 41.04 H new ATOM 0 HD1 PHE A 52 21.877 -13.044 -6.612 1.00 61.14 H new ATOM 0 HD2 PHE A 52 21.387 -9.942 -3.734 1.00 43.44 H new ATOM 0 HE1 PHE A 52 22.269 -14.661 -4.805 1.00 73.23 H new ATOM 0 HE2 PHE A 52 21.779 -11.556 -1.925 1.00 45.03 H new ATOM 0 HZ PHE A 52 22.215 -13.921 -2.457 1.00 62.14 H new ATOM 809 N ALA A 53 19.784 -9.381 -9.269 1.00 13.43 N ATOM 810 CA ALA A 53 19.073 -8.279 -9.905 1.00 15.32 C ATOM 811 C ALA A 53 17.874 -8.785 -10.700 1.00 34.04 C ATOM 812 O ALA A 53 17.840 -9.941 -11.121 1.00 61.14 O ATOM 813 CB ALA A 53 20.013 -7.494 -10.807 1.00 64.44 C ATOM 0 H ALA A 53 20.447 -9.862 -9.877 1.00 13.43 H new ATOM 0 HA ALA A 53 18.703 -7.618 -9.121 1.00 15.32 H new ATOM 0 HB1 ALA A 53 19.468 -6.674 -11.275 1.00 64.44 H new ATOM 0 HB2 ALA A 53 20.835 -7.092 -10.214 1.00 64.44 H new ATOM 0 HB3 ALA A 53 20.411 -8.153 -11.579 1.00 64.44 H new ATOM 819 N ARG A 54 16.891 -7.913 -10.900 1.00 1.24 N ATOM 820 CA ARG A 54 15.689 -8.273 -11.642 1.00 42.12 C ATOM 821 C ARG A 54 15.367 -7.220 -12.698 1.00 51.24 C ATOM 822 O ARG A 54 15.264 -6.031 -12.395 1.00 13.21 O ATOM 823 CB ARG A 54 14.504 -8.434 -10.689 1.00 12.23 C ATOM 824 CG ARG A 54 14.367 -9.836 -10.118 1.00 41.11 C ATOM 825 CD ARG A 54 13.914 -10.827 -11.179 1.00 20.14 C ATOM 826 NE ARG A 54 12.538 -10.583 -11.604 1.00 23.12 N ATOM 827 CZ ARG A 54 11.866 -11.391 -12.415 1.00 74.45 C ATOM 828 NH1 ARG A 54 12.439 -12.490 -12.887 1.00 32.12 N ATOM 829 NH2 ARG A 54 10.617 -11.101 -12.757 1.00 34.42 N ATOM 0 H ARG A 54 16.904 -6.952 -10.558 1.00 1.24 H new ATOM 0 HA ARG A 54 15.873 -9.223 -12.144 1.00 42.12 H new ATOM 0 HB2 ARG A 54 14.610 -7.725 -9.868 1.00 12.23 H new ATOM 0 HB3 ARG A 54 13.586 -8.175 -11.217 1.00 12.23 H new ATOM 0 HG2 ARG A 54 15.323 -10.156 -9.704 1.00 41.11 H new ATOM 0 HG3 ARG A 54 13.650 -9.827 -9.297 1.00 41.11 H new ATOM 0 HD2 ARG A 54 14.577 -10.762 -12.042 1.00 20.14 H new ATOM 0 HD3 ARG A 54 13.998 -11.841 -10.788 1.00 20.14 H new ATOM 0 HE ARG A 54 12.068 -9.746 -11.259 1.00 23.12 H new ATOM 0 HH11 ARG A 54 13.399 -12.717 -12.627 1.00 32.12 H new ATOM 0 HH12 ARG A 54 11.920 -13.109 -13.510 1.00 32.12 H new ATOM 0 HH21 ARG A 54 10.173 -10.257 -12.397 1.00 34.42 H new ATOM 0 HH22 ARG A 54 10.101 -11.722 -13.380 1.00 34.42 H new ATOM 843 N THR A 55 15.209 -7.665 -13.941 1.00 42.44 N ATOM 844 CA THR A 55 14.901 -6.761 -15.043 1.00 34.52 C ATOM 845 C THR A 55 13.441 -6.325 -15.003 1.00 54.03 C ATOM 846 O THR A 55 12.666 -6.633 -15.909 1.00 71.12 O ATOM 847 CB THR A 55 15.192 -7.418 -16.406 1.00 14.33 C ATOM 848 OG1 THR A 55 14.304 -8.521 -16.617 1.00 63.45 O ATOM 849 CG2 THR A 55 16.633 -7.898 -16.478 1.00 62.11 C ATOM 0 H THR A 55 15.289 -8.646 -14.210 1.00 42.44 H new ATOM 0 HA THR A 55 15.542 -5.887 -14.925 1.00 34.52 H new ATOM 0 HB THR A 55 15.035 -6.672 -17.186 1.00 14.33 H new ATOM 0 HG1 THR A 55 13.378 -8.199 -16.624 1.00 63.45 H new ATOM 0 HG21 THR A 55 16.815 -8.358 -17.449 1.00 62.11 H new ATOM 0 HG22 THR A 55 17.306 -7.051 -16.346 1.00 62.11 H new ATOM 0 HG23 THR A 55 16.813 -8.630 -15.690 1.00 62.11 H new ATOM 857 N ASP A 56 13.071 -5.606 -13.949 1.00 45.32 N ATOM 858 CA ASP A 56 11.704 -5.125 -13.793 1.00 14.23 C ATOM 859 C ASP A 56 11.686 -3.638 -13.452 1.00 30.01 C ATOM 860 O ASP A 56 12.734 -2.997 -13.375 1.00 74.23 O ATOM 861 CB ASP A 56 10.983 -5.919 -12.703 1.00 33.34 C ATOM 862 CG ASP A 56 11.532 -5.633 -11.319 1.00 30.42 C ATOM 863 OD1 ASP A 56 12.741 -5.860 -11.101 1.00 51.04 O ATOM 864 OD2 ASP A 56 10.753 -5.182 -10.453 1.00 62.33 O ATOM 0 H ASP A 56 13.699 -5.343 -13.190 1.00 45.32 H new ATOM 0 HA ASP A 56 11.185 -5.268 -14.741 1.00 14.23 H new ATOM 0 HB2 ASP A 56 9.920 -5.679 -12.726 1.00 33.34 H new ATOM 0 HB3 ASP A 56 11.074 -6.985 -12.914 1.00 33.34 H new ATOM 869 N GLU A 57 10.489 -3.097 -13.250 1.00 12.54 N ATOM 870 CA GLU A 57 10.336 -1.685 -12.919 1.00 52.41 C ATOM 871 C GLU A 57 9.352 -1.499 -11.768 1.00 13.13 C ATOM 872 O GLU A 57 8.986 -2.459 -11.089 1.00 22.01 O ATOM 873 CB GLU A 57 9.859 -0.900 -14.143 1.00 63.03 C ATOM 874 CG GLU A 57 8.408 -1.163 -14.508 1.00 31.13 C ATOM 875 CD GLU A 57 7.995 -0.474 -15.794 1.00 21.01 C ATOM 876 OE1 GLU A 57 8.425 0.678 -16.014 1.00 25.34 O ATOM 877 OE2 GLU A 57 7.242 -1.086 -16.580 1.00 42.41 O ATOM 0 H GLU A 57 9.612 -3.614 -13.310 1.00 12.54 H new ATOM 0 HA GLU A 57 11.309 -1.304 -12.608 1.00 52.41 H new ATOM 0 HB2 GLU A 57 9.990 0.166 -13.954 1.00 63.03 H new ATOM 0 HB3 GLU A 57 10.491 -1.153 -14.995 1.00 63.03 H new ATOM 0 HG2 GLU A 57 8.252 -2.237 -14.609 1.00 31.13 H new ATOM 0 HG3 GLU A 57 7.766 -0.823 -13.696 1.00 31.13 H new ATOM 884 N ILE A 58 8.928 -0.258 -11.554 1.00 54.11 N ATOM 885 CA ILE A 58 7.986 0.054 -10.486 1.00 21.10 C ATOM 886 C ILE A 58 6.604 0.371 -11.047 1.00 10.23 C ATOM 887 O ILE A 58 6.459 1.226 -11.920 1.00 72.33 O ATOM 888 CB ILE A 58 8.470 1.246 -9.639 1.00 21.41 C ATOM 889 CG1 ILE A 58 9.027 2.348 -10.542 1.00 0.23 C ATOM 890 CG2 ILE A 58 9.522 0.791 -8.638 1.00 12.41 C ATOM 891 CD1 ILE A 58 10.506 2.206 -10.828 1.00 35.33 C ATOM 0 H ILE A 58 9.222 0.548 -12.106 1.00 54.11 H new ATOM 0 HA ILE A 58 7.924 -0.830 -9.852 1.00 21.10 H new ATOM 0 HB ILE A 58 7.621 1.650 -9.087 1.00 21.41 H new ATOM 0 HG12 ILE A 58 8.481 2.344 -11.485 1.00 0.23 H new ATOM 0 HG13 ILE A 58 8.847 3.316 -10.074 1.00 0.23 H new ATOM 0 HG21 ILE A 58 9.855 1.644 -8.047 1.00 12.41 H new ATOM 0 HG22 ILE A 58 9.094 0.037 -7.978 1.00 12.41 H new ATOM 0 HG23 ILE A 58 10.372 0.366 -9.172 1.00 12.41 H new ATOM 0 HD11 ILE A 58 10.832 3.021 -11.474 1.00 35.33 H new ATOM 0 HD12 ILE A 58 11.063 2.240 -9.891 1.00 35.33 H new ATOM 0 HD13 ILE A 58 10.691 1.254 -11.325 1.00 35.33 H new ATOM 903 N MET A 59 5.591 -0.322 -10.537 1.00 1.11 N ATOM 904 CA MET A 59 4.219 -0.112 -10.985 1.00 4.41 C ATOM 905 C MET A 59 3.643 1.169 -10.389 1.00 43.13 C ATOM 906 O MET A 59 4.177 1.732 -9.433 1.00 53.11 O ATOM 907 CB MET A 59 3.345 -1.306 -10.598 1.00 41.03 C ATOM 908 CG MET A 59 3.014 -2.220 -11.767 1.00 20.23 C ATOM 909 SD MET A 59 1.683 -3.376 -11.389 1.00 33.03 S ATOM 910 CE MET A 59 2.597 -4.910 -11.245 1.00 14.33 C ATOM 0 H MET A 59 5.694 -1.034 -9.814 1.00 1.11 H new ATOM 0 HA MET A 59 4.228 -0.015 -12.071 1.00 4.41 H new ATOM 0 HB2 MET A 59 3.855 -1.885 -9.828 1.00 41.03 H new ATOM 0 HB3 MET A 59 2.417 -0.940 -10.159 1.00 41.03 H new ATOM 0 HG2 MET A 59 2.731 -1.614 -12.628 1.00 20.23 H new ATOM 0 HG3 MET A 59 3.906 -2.779 -12.050 1.00 20.23 H new ATOM 0 HE1 MET A 59 1.909 -5.723 -11.012 1.00 14.33 H new ATOM 0 HE2 MET A 59 3.103 -5.122 -12.187 1.00 14.33 H new ATOM 0 HE3 MET A 59 3.335 -4.820 -10.448 1.00 14.33 H new ATOM 920 N PRO A 60 2.529 1.642 -10.966 1.00 75.02 N ATOM 921 CA PRO A 60 1.856 2.861 -10.508 1.00 42.40 C ATOM 922 C PRO A 60 1.193 2.681 -9.147 1.00 12.11 C ATOM 923 O PRO A 60 0.798 3.654 -8.506 1.00 1.25 O ATOM 924 CB PRO A 60 0.801 3.112 -11.588 1.00 60.12 C ATOM 925 CG PRO A 60 0.535 1.769 -12.176 1.00 51.34 C ATOM 926 CD PRO A 60 1.838 1.022 -12.110 1.00 3.32 C ATOM 0 HA PRO A 60 2.555 3.687 -10.376 1.00 42.40 H new ATOM 0 HB2 PRO A 60 -0.105 3.545 -11.164 1.00 60.12 H new ATOM 0 HB3 PRO A 60 1.165 3.810 -12.342 1.00 60.12 H new ATOM 0 HG2 PRO A 60 -0.243 1.246 -11.619 1.00 51.34 H new ATOM 0 HG3 PRO A 60 0.187 1.856 -13.205 1.00 51.34 H new ATOM 0 HD2 PRO A 60 1.682 -0.046 -11.955 1.00 3.32 H new ATOM 0 HD3 PRO A 60 2.410 1.130 -13.032 1.00 3.32 H new ATOM 934 N GLU A 61 1.074 1.430 -8.712 1.00 42.34 N ATOM 935 CA GLU A 61 0.458 1.124 -7.427 1.00 12.21 C ATOM 936 C GLU A 61 1.480 1.217 -6.298 1.00 12.34 C ATOM 937 O GLU A 61 1.118 1.357 -5.129 1.00 25.51 O ATOM 938 CB GLU A 61 -0.163 -0.274 -7.454 1.00 22.21 C ATOM 939 CG GLU A 61 0.858 -1.395 -7.350 1.00 33.14 C ATOM 940 CD GLU A 61 0.235 -2.768 -7.516 1.00 45.23 C ATOM 941 OE1 GLU A 61 -0.995 -2.886 -7.341 1.00 55.20 O ATOM 942 OE2 GLU A 61 0.979 -3.724 -7.822 1.00 13.44 O ATOM 0 H GLU A 61 1.396 0.613 -9.231 1.00 42.34 H new ATOM 0 HA GLU A 61 -0.327 1.859 -7.245 1.00 12.21 H new ATOM 0 HB2 GLU A 61 -0.873 -0.363 -6.632 1.00 22.21 H new ATOM 0 HB3 GLU A 61 -0.729 -0.393 -8.378 1.00 22.21 H new ATOM 0 HG2 GLU A 61 1.626 -1.254 -8.111 1.00 33.14 H new ATOM 0 HG3 GLU A 61 1.355 -1.340 -6.381 1.00 33.14 H new ATOM 949 N ASP A 62 2.757 1.139 -6.655 1.00 73.24 N ATOM 950 CA ASP A 62 3.832 1.215 -5.673 1.00 61.53 C ATOM 951 C ASP A 62 4.766 2.381 -5.979 1.00 64.14 C ATOM 952 O ASP A 62 4.441 3.258 -6.779 1.00 55.43 O ATOM 953 CB ASP A 62 4.622 -0.095 -5.648 1.00 40.15 C ATOM 954 CG ASP A 62 4.015 -1.154 -6.547 1.00 63.25 C ATOM 955 OD1 ASP A 62 4.063 -0.982 -7.784 1.00 30.13 O ATOM 956 OD2 ASP A 62 3.494 -2.156 -6.015 1.00 14.21 O ATOM 0 H ASP A 62 3.073 1.023 -7.618 1.00 73.24 H new ATOM 0 HA ASP A 62 3.385 1.379 -4.693 1.00 61.53 H new ATOM 0 HB2 ASP A 62 5.649 0.097 -5.960 1.00 40.15 H new ATOM 0 HB3 ASP A 62 4.664 -0.471 -4.626 1.00 40.15 H new ATOM 961 N LYS A 63 5.929 2.385 -5.337 1.00 4.11 N ATOM 962 CA LYS A 63 6.912 3.443 -5.539 1.00 62.15 C ATOM 963 C LYS A 63 8.313 2.961 -5.176 1.00 30.02 C ATOM 964 O LYS A 63 8.500 1.814 -4.769 1.00 25.14 O ATOM 965 CB LYS A 63 6.550 4.671 -4.701 1.00 42.03 C ATOM 966 CG LYS A 63 5.637 4.359 -3.528 1.00 42.22 C ATOM 967 CD LYS A 63 5.747 5.415 -2.441 1.00 35.44 C ATOM 968 CE LYS A 63 4.820 6.591 -2.710 1.00 21.52 C ATOM 969 NZ LYS A 63 4.665 7.460 -1.511 1.00 12.10 N ATOM 0 H LYS A 63 6.214 1.667 -4.672 1.00 4.11 H new ATOM 0 HA LYS A 63 6.903 3.716 -6.594 1.00 62.15 H new ATOM 0 HB2 LYS A 63 7.466 5.128 -4.326 1.00 42.03 H new ATOM 0 HB3 LYS A 63 6.066 5.408 -5.342 1.00 42.03 H new ATOM 0 HG2 LYS A 63 4.605 4.298 -3.875 1.00 42.22 H new ATOM 0 HG3 LYS A 63 5.893 3.383 -3.116 1.00 42.22 H new ATOM 0 HD2 LYS A 63 5.503 4.972 -1.476 1.00 35.44 H new ATOM 0 HD3 LYS A 63 6.776 5.769 -2.379 1.00 35.44 H new ATOM 0 HE2 LYS A 63 5.213 7.181 -3.538 1.00 21.52 H new ATOM 0 HE3 LYS A 63 3.843 6.220 -3.018 1.00 21.52 H new ATOM 0 HZ1 LYS A 63 4.026 8.250 -1.735 1.00 12.10 H new ATOM 0 HZ2 LYS A 63 4.266 6.903 -0.728 1.00 12.10 H new ATOM 0 HZ3 LYS A 63 5.594 7.835 -1.231 1.00 12.10 H new ATOM 983 N THR A 64 9.295 3.845 -5.324 1.00 21.32 N ATOM 984 CA THR A 64 10.678 3.510 -5.011 1.00 25.44 C ATOM 985 C THR A 64 11.177 4.301 -3.807 1.00 41.42 C ATOM 986 O THR A 64 11.244 5.530 -3.844 1.00 50.12 O ATOM 987 CB THR A 64 11.607 3.780 -6.209 1.00 42.14 C ATOM 988 OG1 THR A 64 11.718 2.604 -7.018 1.00 61.24 O ATOM 989 CG2 THR A 64 12.988 4.209 -5.738 1.00 3.52 C ATOM 0 H THR A 64 9.158 4.799 -5.659 1.00 21.32 H new ATOM 0 HA THR A 64 10.699 2.446 -4.777 1.00 25.44 H new ATOM 0 HB THR A 64 11.175 4.588 -6.800 1.00 42.14 H new ATOM 0 HG1 THR A 64 12.309 2.785 -7.779 1.00 61.24 H new ATOM 0 HG21 THR A 64 13.626 4.394 -6.602 1.00 3.52 H new ATOM 0 HG22 THR A 64 12.904 5.121 -5.147 1.00 3.52 H new ATOM 0 HG23 THR A 64 13.425 3.420 -5.126 1.00 3.52 H new ATOM 997 N VAL A 65 11.527 3.590 -2.740 1.00 62.13 N ATOM 998 CA VAL A 65 12.022 4.227 -1.526 1.00 20.54 C ATOM 999 C VAL A 65 13.178 5.172 -1.832 1.00 51.03 C ATOM 1000 O VAL A 65 13.294 6.241 -1.236 1.00 1.55 O ATOM 1001 CB VAL A 65 12.488 3.182 -0.494 1.00 74.20 C ATOM 1002 CG1 VAL A 65 13.296 2.086 -1.171 1.00 62.14 C ATOM 1003 CG2 VAL A 65 13.296 3.847 0.610 1.00 53.12 C ATOM 0 H VAL A 65 11.477 2.572 -2.692 1.00 62.13 H new ATOM 0 HA VAL A 65 11.192 4.797 -1.107 1.00 20.54 H new ATOM 0 HB VAL A 65 11.607 2.725 -0.043 1.00 74.20 H new ATOM 0 HG11 VAL A 65 13.616 1.357 -0.426 1.00 62.14 H new ATOM 0 HG12 VAL A 65 12.680 1.591 -1.922 1.00 62.14 H new ATOM 0 HG13 VAL A 65 14.172 2.523 -1.651 1.00 62.14 H new ATOM 0 HG21 VAL A 65 13.617 3.094 1.330 1.00 53.12 H new ATOM 0 HG22 VAL A 65 14.171 4.333 0.178 1.00 53.12 H new ATOM 0 HG23 VAL A 65 12.680 4.591 1.114 1.00 53.12 H new ATOM 1013 N GLY A 66 14.032 4.770 -2.769 1.00 30.22 N ATOM 1014 CA GLY A 66 15.168 5.593 -3.139 1.00 63.14 C ATOM 1015 C GLY A 66 16.305 4.781 -3.729 1.00 15.20 C ATOM 1016 O GLY A 66 16.137 3.603 -4.045 1.00 12.10 O ATOM 0 H GLY A 66 13.957 3.889 -3.278 1.00 30.22 H new ATOM 0 HA2 GLY A 66 14.849 6.344 -3.862 1.00 63.14 H new ATOM 0 HA3 GLY A 66 15.526 6.129 -2.260 1.00 63.14 H new ATOM 1020 N PHE A 67 17.464 5.412 -3.879 1.00 44.04 N ATOM 1021 CA PHE A 67 18.633 4.741 -4.438 1.00 14.31 C ATOM 1022 C PHE A 67 19.853 4.940 -3.544 1.00 31.45 C ATOM 1023 O PHE A 67 20.003 5.978 -2.900 1.00 11.21 O ATOM 1024 CB PHE A 67 18.926 5.268 -5.844 1.00 51.41 C ATOM 1025 CG PHE A 67 18.898 6.767 -5.941 1.00 33.04 C ATOM 1026 CD1 PHE A 67 19.980 7.522 -5.518 1.00 15.23 C ATOM 1027 CD2 PHE A 67 17.789 7.420 -6.454 1.00 12.52 C ATOM 1028 CE1 PHE A 67 19.957 8.901 -5.605 1.00 51.55 C ATOM 1029 CE2 PHE A 67 17.761 8.799 -6.544 1.00 53.34 C ATOM 1030 CZ PHE A 67 18.845 9.541 -6.119 1.00 24.24 C ATOM 0 H PHE A 67 17.620 6.387 -3.622 1.00 44.04 H new ATOM 0 HA PHE A 67 18.416 3.674 -4.495 1.00 14.31 H new ATOM 0 HB2 PHE A 67 19.906 4.910 -6.161 1.00 51.41 H new ATOM 0 HB3 PHE A 67 18.195 4.853 -6.538 1.00 51.41 H new ATOM 0 HD1 PHE A 67 20.852 7.027 -5.116 1.00 15.23 H new ATOM 0 HD2 PHE A 67 16.937 6.845 -6.787 1.00 12.52 H new ATOM 0 HE1 PHE A 67 20.807 9.478 -5.272 1.00 51.55 H new ATOM 0 HE2 PHE A 67 16.891 9.296 -6.947 1.00 53.34 H new ATOM 0 HZ PHE A 67 18.824 10.619 -6.188 1.00 24.24 H new ATOM 1040 N VAL A 68 20.723 3.935 -3.508 1.00 73.11 N ATOM 1041 CA VAL A 68 21.930 3.998 -2.694 1.00 24.34 C ATOM 1042 C VAL A 68 23.182 3.898 -3.558 1.00 61.02 C ATOM 1043 O VAL A 68 23.316 2.984 -4.372 1.00 43.33 O ATOM 1044 CB VAL A 68 21.956 2.874 -1.641 1.00 23.13 C ATOM 1045 CG1 VAL A 68 23.305 2.830 -0.940 1.00 25.33 C ATOM 1046 CG2 VAL A 68 20.830 3.060 -0.635 1.00 52.24 C ATOM 0 H VAL A 68 20.614 3.068 -4.034 1.00 73.11 H new ATOM 0 HA VAL A 68 21.919 4.962 -2.186 1.00 24.34 H new ATOM 0 HB VAL A 68 21.806 1.921 -2.149 1.00 23.13 H new ATOM 0 HG11 VAL A 68 23.304 2.030 -0.200 1.00 25.33 H new ATOM 0 HG12 VAL A 68 24.090 2.645 -1.673 1.00 25.33 H new ATOM 0 HG13 VAL A 68 23.489 3.783 -0.444 1.00 25.33 H new ATOM 0 HG21 VAL A 68 20.864 2.257 0.101 1.00 52.24 H new ATOM 0 HG22 VAL A 68 20.947 4.019 -0.131 1.00 52.24 H new ATOM 0 HG23 VAL A 68 19.871 3.037 -1.153 1.00 52.24 H new ATOM 1056 N VAL A 69 24.098 4.844 -3.376 1.00 13.32 N ATOM 1057 CA VAL A 69 25.340 4.863 -4.138 1.00 25.30 C ATOM 1058 C VAL A 69 26.517 4.408 -3.282 1.00 1.24 C ATOM 1059 O VAL A 69 26.835 5.026 -2.265 1.00 53.34 O ATOM 1060 CB VAL A 69 25.637 6.268 -4.694 1.00 40.11 C ATOM 1061 CG1 VAL A 69 26.816 6.225 -5.654 1.00 23.22 C ATOM 1062 CG2 VAL A 69 24.404 6.842 -5.377 1.00 23.45 C ATOM 0 H VAL A 69 24.003 5.608 -2.707 1.00 13.32 H new ATOM 0 HA VAL A 69 25.211 4.171 -4.970 1.00 25.30 H new ATOM 0 HB VAL A 69 25.901 6.920 -3.862 1.00 40.11 H new ATOM 0 HG11 VAL A 69 27.011 7.227 -6.036 1.00 23.22 H new ATOM 0 HG12 VAL A 69 27.699 5.859 -5.130 1.00 23.22 H new ATOM 0 HG13 VAL A 69 26.585 5.558 -6.485 1.00 23.22 H new ATOM 0 HG21 VAL A 69 24.632 7.835 -5.764 1.00 23.45 H new ATOM 0 HG22 VAL A 69 24.108 6.191 -6.200 1.00 23.45 H new ATOM 0 HG23 VAL A 69 23.588 6.911 -4.657 1.00 23.45 H new ATOM 1072 N VAL A 70 27.162 3.323 -3.699 1.00 53.33 N ATOM 1073 CA VAL A 70 28.305 2.786 -2.972 1.00 22.04 C ATOM 1074 C VAL A 70 29.524 2.659 -3.879 1.00 53.11 C ATOM 1075 O VAL A 70 29.504 1.919 -4.861 1.00 62.43 O ATOM 1076 CB VAL A 70 27.986 1.407 -2.363 1.00 50.44 C ATOM 1077 CG1 VAL A 70 29.089 0.977 -1.408 1.00 73.33 C ATOM 1078 CG2 VAL A 70 26.639 1.436 -1.657 1.00 52.14 C ATOM 0 H VAL A 70 26.912 2.799 -4.537 1.00 53.33 H new ATOM 0 HA VAL A 70 28.526 3.488 -2.168 1.00 22.04 H new ATOM 0 HB VAL A 70 27.932 0.676 -3.170 1.00 50.44 H new ATOM 0 HG11 VAL A 70 28.846 0.001 -0.988 1.00 73.33 H new ATOM 0 HG12 VAL A 70 30.034 0.915 -1.948 1.00 73.33 H new ATOM 0 HG13 VAL A 70 29.178 1.707 -0.603 1.00 73.33 H new ATOM 0 HG21 VAL A 70 26.429 0.454 -1.233 1.00 52.14 H new ATOM 0 HG22 VAL A 70 26.662 2.179 -0.859 1.00 52.14 H new ATOM 0 HG23 VAL A 70 25.859 1.696 -2.372 1.00 52.14 H new ATOM 1088 N ASN A 71 30.584 3.387 -3.542 1.00 73.15 N ATOM 1089 CA ASN A 71 31.812 3.356 -4.327 1.00 65.13 C ATOM 1090 C ASN A 71 32.988 2.881 -3.479 1.00 2.23 C ATOM 1091 O ASN A 71 33.429 3.579 -2.566 1.00 24.42 O ATOM 1092 CB ASN A 71 32.110 4.742 -4.902 1.00 5.44 C ATOM 1093 CG ASN A 71 30.884 5.391 -5.513 1.00 35.10 C ATOM 1094 OD1 ASN A 71 30.053 5.996 -4.672 1.00 50.02 O flip ATOM 1095 ND2 ASN A 71 30.685 5.348 -6.727 1.00 3.33 N flip ATOM 0 H ASN A 71 30.617 4.005 -2.731 1.00 73.15 H new ATOM 0 HA ASN A 71 31.671 2.653 -5.148 1.00 65.13 H new ATOM 0 HB2 ASN A 71 32.502 5.383 -4.112 1.00 5.44 H new ATOM 0 HB3 ASN A 71 32.889 4.658 -5.660 1.00 5.44 H new ATOM 0 HD21 ASN A 71 31.350 4.872 -7.336 1.00 3.33 H new ATOM 0 HD22 ASN A 71 29.855 5.788 -7.124 1.00 3.33 H new ATOM 1102 N ALA A 72 33.491 1.690 -3.787 1.00 50.44 N ATOM 1103 CA ALA A 72 34.617 1.123 -3.056 1.00 12.55 C ATOM 1104 C ALA A 72 35.893 1.919 -3.308 1.00 53.35 C ATOM 1105 O ALA A 72 36.734 2.060 -2.421 1.00 24.50 O ATOM 1106 CB ALA A 72 34.817 -0.335 -3.441 1.00 53.33 C ATOM 0 H ALA A 72 33.136 1.099 -4.539 1.00 50.44 H new ATOM 0 HA ALA A 72 34.391 1.178 -1.991 1.00 12.55 H new ATOM 0 HB1 ALA A 72 35.661 -0.745 -2.887 1.00 53.33 H new ATOM 0 HB2 ALA A 72 33.917 -0.901 -3.202 1.00 53.33 H new ATOM 0 HB3 ALA A 72 35.016 -0.405 -4.510 1.00 53.33 H new ATOM 1112 N ASP A 73 36.030 2.438 -4.524 1.00 31.51 N ATOM 1113 CA ASP A 73 37.204 3.220 -4.893 1.00 73.15 C ATOM 1114 C ASP A 73 37.357 4.434 -3.982 1.00 75.14 C ATOM 1115 O ASP A 73 38.465 4.781 -3.573 1.00 55.43 O ATOM 1116 CB ASP A 73 37.104 3.670 -6.352 1.00 4.43 C ATOM 1117 CG ASP A 73 38.451 3.680 -7.048 1.00 2.54 C ATOM 1118 OD1 ASP A 73 39.131 2.633 -7.040 1.00 62.32 O ATOM 1119 OD2 ASP A 73 38.825 4.736 -7.600 1.00 60.24 O ATOM 0 H ASP A 73 35.343 2.331 -5.270 1.00 31.51 H new ATOM 0 HA ASP A 73 38.084 2.588 -4.775 1.00 73.15 H new ATOM 0 HB2 ASP A 73 36.426 3.006 -6.888 1.00 4.43 H new ATOM 0 HB3 ASP A 73 36.670 4.669 -6.392 1.00 4.43 H new ATOM 1124 N LYS A 74 36.237 5.077 -3.669 1.00 74.40 N ATOM 1125 CA LYS A 74 36.244 6.252 -2.806 1.00 43.14 C ATOM 1126 C LYS A 74 35.904 5.874 -1.368 1.00 62.13 C ATOM 1127 O LYS A 74 35.816 6.735 -0.493 1.00 0.30 O ATOM 1128 CB LYS A 74 35.248 7.294 -3.320 1.00 71.22 C ATOM 1129 CG LYS A 74 35.685 7.970 -4.608 1.00 72.12 C ATOM 1130 CD LYS A 74 36.450 9.254 -4.332 1.00 75.35 C ATOM 1131 CE LYS A 74 37.935 8.988 -4.145 1.00 4.01 C ATOM 1132 NZ LYS A 74 38.743 10.231 -4.285 1.00 42.12 N ATOM 0 H LYS A 74 35.312 4.804 -4.001 1.00 74.40 H new ATOM 0 HA LYS A 74 37.247 6.678 -2.823 1.00 43.14 H new ATOM 0 HB2 LYS A 74 34.283 6.813 -3.481 1.00 71.22 H new ATOM 0 HB3 LYS A 74 35.101 8.054 -2.552 1.00 71.22 H new ATOM 0 HG2 LYS A 74 36.312 7.288 -5.183 1.00 72.12 H new ATOM 0 HG3 LYS A 74 34.810 8.191 -5.219 1.00 72.12 H new ATOM 0 HD2 LYS A 74 36.305 9.950 -5.158 1.00 75.35 H new ATOM 0 HD3 LYS A 74 36.050 9.733 -3.438 1.00 75.35 H new ATOM 0 HE2 LYS A 74 38.105 8.553 -3.160 1.00 4.01 H new ATOM 0 HE3 LYS A 74 38.268 8.254 -4.879 1.00 4.01 H new ATOM 0 HZ1 LYS A 74 39.750 10.008 -4.151 1.00 42.12 H new ATOM 0 HZ2 LYS A 74 38.601 10.632 -5.234 1.00 42.12 H new ATOM 0 HZ3 LYS A 74 38.443 10.922 -3.568 1.00 42.12 H new ATOM 1146 N LYS A 75 35.715 4.580 -1.130 1.00 44.45 N ATOM 1147 CA LYS A 75 35.388 4.087 0.202 1.00 72.21 C ATOM 1148 C LYS A 75 34.288 4.930 0.839 1.00 30.12 C ATOM 1149 O LYS A 75 34.384 5.316 2.005 1.00 22.41 O ATOM 1150 CB LYS A 75 36.633 4.096 1.092 1.00 74.01 C ATOM 1151 CG LYS A 75 37.187 5.487 1.349 1.00 74.24 C ATOM 1152 CD LYS A 75 38.194 5.485 2.486 1.00 32.43 C ATOM 1153 CE LYS A 75 39.544 4.950 2.034 1.00 20.34 C ATOM 1154 NZ LYS A 75 40.347 5.990 1.334 1.00 54.32 N ATOM 0 H LYS A 75 35.783 3.854 -1.843 1.00 44.45 H new ATOM 0 HA LYS A 75 35.027 3.063 0.105 1.00 72.21 H new ATOM 0 HB2 LYS A 75 36.390 3.629 2.046 1.00 74.01 H new ATOM 0 HB3 LYS A 75 37.407 3.486 0.626 1.00 74.01 H new ATOM 0 HG2 LYS A 75 37.661 5.864 0.443 1.00 74.24 H new ATOM 0 HG3 LYS A 75 36.369 6.167 1.587 1.00 74.24 H new ATOM 0 HD2 LYS A 75 38.313 6.498 2.870 1.00 32.43 H new ATOM 0 HD3 LYS A 75 37.816 4.876 3.307 1.00 32.43 H new ATOM 0 HE2 LYS A 75 40.098 4.585 2.899 1.00 20.34 H new ATOM 0 HE3 LYS A 75 39.393 4.099 1.369 1.00 20.34 H new ATOM 0 HZ1 LYS A 75 41.260 5.586 1.042 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 39.830 6.321 0.494 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 40.513 6.791 1.976 1.00 54.32 H new ATOM 1168 N LEU A 76 33.243 5.212 0.069 1.00 62.44 N ATOM 1169 CA LEU A 76 32.124 6.008 0.559 1.00 54.02 C ATOM 1170 C LEU A 76 30.799 5.474 0.022 1.00 4.12 C ATOM 1171 O LEU A 76 30.748 4.886 -1.058 1.00 10.23 O ATOM 1172 CB LEU A 76 32.298 7.473 0.153 1.00 31.33 C ATOM 1173 CG LEU A 76 32.918 7.719 -1.222 1.00 43.03 C ATOM 1174 CD1 LEU A 76 32.093 7.047 -2.308 1.00 71.33 C ATOM 1175 CD2 LEU A 76 33.043 9.212 -1.492 1.00 30.54 C ATOM 0 H LEU A 76 33.147 4.901 -0.898 1.00 62.44 H new ATOM 0 HA LEU A 76 32.109 5.938 1.647 1.00 54.02 H new ATOM 0 HB2 LEU A 76 31.321 7.955 0.180 1.00 31.33 H new ATOM 0 HB3 LEU A 76 32.918 7.966 0.902 1.00 31.33 H new ATOM 0 HG LEU A 76 33.917 7.283 -1.231 1.00 43.03 H new ATOM 0 HD11 LEU A 76 32.550 7.233 -3.280 1.00 71.33 H new ATOM 0 HD12 LEU A 76 32.056 5.973 -2.124 1.00 71.33 H new ATOM 0 HD13 LEU A 76 31.081 7.452 -2.299 1.00 71.33 H new ATOM 0 HD21 LEU A 76 33.486 9.368 -2.475 1.00 30.54 H new ATOM 0 HD22 LEU A 76 32.055 9.671 -1.463 1.00 30.54 H new ATOM 0 HD23 LEU A 76 33.677 9.667 -0.732 1.00 30.54 H new ATOM 1187 N MET A 77 29.730 5.685 0.783 1.00 23.10 N ATOM 1188 CA MET A 77 28.405 5.228 0.382 1.00 70.42 C ATOM 1189 C MET A 77 27.329 6.201 0.851 1.00 53.52 C ATOM 1190 O MET A 77 27.301 6.596 2.017 1.00 73.14 O ATOM 1191 CB MET A 77 28.130 3.833 0.949 1.00 52.53 C ATOM 1192 CG MET A 77 27.722 3.842 2.413 1.00 4.51 C ATOM 1193 SD MET A 77 27.428 2.186 3.062 1.00 12.33 S ATOM 1194 CE MET A 77 26.174 1.596 1.927 1.00 22.14 C ATOM 0 H MET A 77 29.756 6.169 1.680 1.00 23.10 H new ATOM 0 HA MET A 77 28.378 5.182 -0.707 1.00 70.42 H new ATOM 0 HB2 MET A 77 27.341 3.361 0.363 1.00 52.53 H new ATOM 0 HB3 MET A 77 29.024 3.220 0.833 1.00 52.53 H new ATOM 0 HG2 MET A 77 28.503 4.325 3.001 1.00 4.51 H new ATOM 0 HG3 MET A 77 26.818 4.440 2.531 1.00 4.51 H new ATOM 0 HE1 MET A 77 25.472 0.955 2.461 1.00 22.14 H new ATOM 0 HE2 MET A 77 25.639 2.445 1.502 1.00 22.14 H new ATOM 0 HE3 MET A 77 26.647 1.028 1.126 1.00 22.14 H new ATOM 1204 N SER A 78 26.445 6.586 -0.065 1.00 31.34 N ATOM 1205 CA SER A 78 25.369 7.517 0.255 1.00 62.11 C ATOM 1206 C SER A 78 24.008 6.898 -0.046 1.00 74.20 C ATOM 1207 O SER A 78 23.819 6.255 -1.079 1.00 44.31 O ATOM 1208 CB SER A 78 25.538 8.815 -0.537 1.00 10.14 C ATOM 1209 OG SER A 78 24.373 9.109 -1.289 1.00 4.14 O ATOM 0 H SER A 78 26.453 6.268 -1.034 1.00 31.34 H new ATOM 0 HA SER A 78 25.419 7.740 1.321 1.00 62.11 H new ATOM 0 HB2 SER A 78 25.750 9.637 0.147 1.00 10.14 H new ATOM 0 HB3 SER A 78 26.394 8.728 -1.206 1.00 10.14 H new ATOM 0 HG SER A 78 24.506 9.944 -1.785 1.00 4.14 H new ATOM 1215 N VAL A 79 23.060 7.096 0.865 1.00 50.21 N ATOM 1216 CA VAL A 79 21.715 6.559 0.698 1.00 12.21 C ATOM 1217 C VAL A 79 20.683 7.678 0.613 1.00 50.31 C ATOM 1218 O VAL A 79 20.526 8.465 1.547 1.00 65.22 O ATOM 1219 CB VAL A 79 21.339 5.617 1.857 1.00 61.41 C ATOM 1220 CG1 VAL A 79 19.931 5.073 1.668 1.00 63.52 C ATOM 1221 CG2 VAL A 79 22.347 4.483 1.969 1.00 21.10 C ATOM 0 H VAL A 79 23.199 7.624 1.726 1.00 50.21 H new ATOM 0 HA VAL A 79 21.713 5.995 -0.235 1.00 12.21 H new ATOM 0 HB VAL A 79 21.361 6.186 2.787 1.00 61.41 H new ATOM 0 HG11 VAL A 79 19.683 4.409 2.496 1.00 63.52 H new ATOM 0 HG12 VAL A 79 19.222 5.900 1.641 1.00 63.52 H new ATOM 0 HG13 VAL A 79 19.878 4.519 0.731 1.00 63.52 H new ATOM 0 HG21 VAL A 79 22.066 3.827 2.793 1.00 21.10 H new ATOM 0 HG22 VAL A 79 22.359 3.914 1.040 1.00 21.10 H new ATOM 0 HG23 VAL A 79 23.339 4.895 2.155 1.00 21.10 H new ATOM 1231 N SER A 80 19.980 7.744 -0.514 1.00 25.44 N ATOM 1232 CA SER A 80 18.965 8.769 -0.723 1.00 31.22 C ATOM 1233 C SER A 80 17.585 8.140 -0.890 1.00 52.34 C ATOM 1234 O SER A 80 17.348 7.376 -1.826 1.00 33.42 O ATOM 1235 CB SER A 80 19.307 9.612 -1.953 1.00 33.30 C ATOM 1236 OG SER A 80 20.693 9.900 -2.004 1.00 41.23 O ATOM 0 H SER A 80 20.095 7.099 -1.296 1.00 25.44 H new ATOM 0 HA SER A 80 18.947 9.413 0.156 1.00 31.22 H new ATOM 0 HB2 SER A 80 19.009 9.080 -2.857 1.00 33.30 H new ATOM 0 HB3 SER A 80 18.740 10.542 -1.929 1.00 33.30 H new ATOM 0 HG SER A 80 20.886 10.438 -2.800 1.00 41.23 H new ATOM 1242 N PHE A 81 16.677 8.468 0.023 1.00 3.33 N ATOM 1243 CA PHE A 81 15.320 7.936 -0.021 1.00 65.14 C ATOM 1244 C PHE A 81 14.299 9.024 0.294 1.00 55.32 C ATOM 1245 O PHE A 81 14.552 9.912 1.109 1.00 71.44 O ATOM 1246 CB PHE A 81 15.171 6.778 0.968 1.00 2.52 C ATOM 1247 CG PHE A 81 15.744 7.073 2.325 1.00 32.53 C ATOM 1248 CD1 PHE A 81 15.120 7.971 3.175 1.00 14.42 C ATOM 1249 CD2 PHE A 81 16.906 6.450 2.751 1.00 32.33 C ATOM 1250 CE1 PHE A 81 15.645 8.244 4.424 1.00 11.21 C ATOM 1251 CE2 PHE A 81 17.436 6.718 3.999 1.00 14.34 C ATOM 1252 CZ PHE A 81 16.804 7.616 4.837 1.00 14.02 C ATOM 0 H PHE A 81 16.857 9.100 0.803 1.00 3.33 H new ATOM 0 HA PHE A 81 15.133 7.569 -1.030 1.00 65.14 H new ATOM 0 HB2 PHE A 81 14.114 6.534 1.074 1.00 2.52 H new ATOM 0 HB3 PHE A 81 15.662 5.895 0.559 1.00 2.52 H new ATOM 0 HD1 PHE A 81 14.213 8.464 2.858 1.00 14.42 H new ATOM 0 HD2 PHE A 81 17.404 5.746 2.100 1.00 32.33 H new ATOM 0 HE1 PHE A 81 15.150 8.948 5.077 1.00 11.21 H new ATOM 0 HE2 PHE A 81 18.343 6.226 4.319 1.00 14.34 H new ATOM 0 HZ PHE A 81 17.215 7.827 5.813 1.00 14.02 H new ATOM 1262 N SER A 82 13.143 8.949 -0.358 1.00 52.34 N ATOM 1263 CA SER A 82 12.083 9.930 -0.152 1.00 25.11 C ATOM 1264 C SER A 82 10.832 9.266 0.414 1.00 54.23 C ATOM 1265 O SER A 82 10.607 8.071 0.219 1.00 3.33 O ATOM 1266 CB SER A 82 11.750 10.636 -1.467 1.00 51.33 C ATOM 1267 OG SER A 82 10.705 11.577 -1.290 1.00 74.44 O ATOM 0 H SER A 82 12.916 8.219 -1.033 1.00 52.34 H new ATOM 0 HA SER A 82 12.439 10.668 0.567 1.00 25.11 H new ATOM 0 HB2 SER A 82 12.638 11.141 -1.847 1.00 51.33 H new ATOM 0 HB3 SER A 82 11.457 9.899 -2.215 1.00 51.33 H new ATOM 0 HG SER A 82 10.512 12.016 -2.145 1.00 74.44 H new ATOM 1273 N ASP A 83 10.019 10.050 1.114 1.00 25.13 N ATOM 1274 CA ASP A 83 8.789 9.540 1.708 1.00 0.12 C ATOM 1275 C ASP A 83 8.910 8.051 2.015 1.00 62.31 C ATOM 1276 O ASP A 83 8.517 7.207 1.208 1.00 5.14 O ATOM 1277 CB ASP A 83 7.605 9.786 0.771 1.00 24.12 C ATOM 1278 CG ASP A 83 7.156 11.234 0.773 1.00 24.11 C ATOM 1279 OD1 ASP A 83 7.045 11.820 1.871 1.00 61.52 O ATOM 1280 OD2 ASP A 83 6.917 11.782 -0.323 1.00 21.10 O ATOM 0 H ASP A 83 10.190 11.041 1.284 1.00 25.13 H new ATOM 0 HA ASP A 83 8.619 10.072 2.644 1.00 0.12 H new ATOM 0 HB2 ASP A 83 7.881 9.496 -0.243 1.00 24.12 H new ATOM 0 HB3 ASP A 83 6.772 9.150 1.069 1.00 24.12 H new ATOM 1285 N ILE A 84 9.457 7.735 3.184 1.00 13.22 N ATOM 1286 CA ILE A 84 9.629 6.348 3.597 1.00 64.13 C ATOM 1287 C ILE A 84 9.033 6.107 4.979 1.00 2.35 C ATOM 1288 O ILE A 84 8.324 6.958 5.517 1.00 32.44 O ATOM 1289 CB ILE A 84 11.116 5.947 3.614 1.00 22.41 C ATOM 1290 CG1 ILE A 84 11.849 6.669 4.747 1.00 35.51 C ATOM 1291 CG2 ILE A 84 11.765 6.258 2.274 1.00 53.44 C ATOM 1292 CD1 ILE A 84 13.000 5.876 5.324 1.00 64.42 C ATOM 0 H ILE A 84 9.789 8.421 3.862 1.00 13.22 H new ATOM 0 HA ILE A 84 9.103 5.734 2.866 1.00 64.13 H new ATOM 0 HB ILE A 84 11.185 4.873 3.788 1.00 22.41 H new ATOM 0 HG12 ILE A 84 12.225 7.622 4.376 1.00 35.51 H new ATOM 0 HG13 ILE A 84 11.139 6.894 5.543 1.00 35.51 H new ATOM 0 HG21 ILE A 84 12.816 5.969 2.303 1.00 53.44 H new ATOM 0 HG22 ILE A 84 11.257 5.702 1.486 1.00 53.44 H new ATOM 0 HG23 ILE A 84 11.688 7.326 2.072 1.00 53.44 H new ATOM 0 HD11 ILE A 84 13.473 6.449 6.122 1.00 64.42 H new ATOM 0 HD12 ILE A 84 12.627 4.934 5.726 1.00 64.42 H new ATOM 0 HD13 ILE A 84 13.731 5.673 4.541 1.00 64.42 H new ATOM 1304 N ASP A 85 9.327 4.944 5.550 1.00 4.31 N ATOM 1305 CA ASP A 85 8.823 4.592 6.872 1.00 0.24 C ATOM 1306 C ASP A 85 9.963 4.173 7.795 1.00 62.52 C ATOM 1307 O ASP A 85 11.052 3.830 7.335 1.00 73.23 O ATOM 1308 CB ASP A 85 7.795 3.465 6.766 1.00 62.40 C ATOM 1309 CG ASP A 85 6.774 3.713 5.673 1.00 11.44 C ATOM 1310 OD1 ASP A 85 6.261 4.848 5.589 1.00 53.40 O ATOM 1311 OD2 ASP A 85 6.487 2.773 4.903 1.00 23.44 O ATOM 0 H ASP A 85 9.912 4.229 5.118 1.00 4.31 H new ATOM 0 HA ASP A 85 8.342 5.473 7.296 1.00 0.24 H new ATOM 0 HB2 ASP A 85 8.310 2.524 6.571 1.00 62.40 H new ATOM 0 HB3 ASP A 85 7.281 3.355 7.721 1.00 62.40 H new ATOM 1316 N GLU A 86 9.705 4.203 9.099 1.00 50.44 N ATOM 1317 CA GLU A 86 10.711 3.828 10.085 1.00 61.10 C ATOM 1318 C GLU A 86 11.016 2.335 10.010 1.00 33.50 C ATOM 1319 O GLU A 86 12.108 1.895 10.365 1.00 23.24 O ATOM 1320 CB GLU A 86 10.238 4.193 11.493 1.00 35.15 C ATOM 1321 CG GLU A 86 9.009 3.420 11.942 1.00 73.21 C ATOM 1322 CD GLU A 86 8.259 4.115 13.061 1.00 35.04 C ATOM 1323 OE1 GLU A 86 8.611 3.892 14.239 1.00 50.13 O ATOM 1324 OE2 GLU A 86 7.320 4.881 12.761 1.00 55.22 O ATOM 0 H GLU A 86 8.808 4.483 9.496 1.00 50.44 H new ATOM 0 HA GLU A 86 11.624 4.379 9.862 1.00 61.10 H new ATOM 0 HB2 GLU A 86 11.049 4.011 12.198 1.00 35.15 H new ATOM 0 HB3 GLU A 86 10.019 5.260 11.528 1.00 35.15 H new ATOM 0 HG2 GLU A 86 8.340 3.283 11.092 1.00 73.21 H new ATOM 0 HG3 GLU A 86 9.311 2.427 12.274 1.00 73.21 H new ATOM 1331 N ASN A 87 10.041 1.560 9.545 1.00 15.33 N ATOM 1332 CA ASN A 87 10.203 0.116 9.424 1.00 21.04 C ATOM 1333 C ASN A 87 11.364 -0.225 8.495 1.00 3.23 C ATOM 1334 O ASN A 87 12.244 -1.010 8.847 1.00 32.31 O ATOM 1335 CB ASN A 87 8.914 -0.521 8.903 1.00 72.43 C ATOM 1336 CG ASN A 87 8.831 -2.002 9.220 1.00 21.03 C ATOM 1337 OD1 ASN A 87 8.553 -2.390 10.355 1.00 73.20 O ATOM 1338 ND2 ASN A 87 9.074 -2.837 8.216 1.00 13.24 N ATOM 0 H ASN A 87 9.130 1.908 9.246 1.00 15.33 H new ATOM 0 HA ASN A 87 10.423 -0.284 10.414 1.00 21.04 H new ATOM 0 HB2 ASN A 87 8.057 -0.010 9.341 1.00 72.43 H new ATOM 0 HB3 ASN A 87 8.852 -0.379 7.824 1.00 72.43 H new ATOM 0 HD21 ASN A 87 9.034 -3.845 8.370 1.00 13.24 H new ATOM 0 HD22 ASN A 87 9.301 -2.471 7.291 1.00 13.24 H new ATOM 1345 N MET A 88 11.360 0.372 7.308 1.00 53.21 N ATOM 1346 CA MET A 88 12.414 0.133 6.329 1.00 53.32 C ATOM 1347 C MET A 88 13.670 0.925 6.678 1.00 53.32 C ATOM 1348 O MET A 88 14.788 0.484 6.413 1.00 22.24 O ATOM 1349 CB MET A 88 11.932 0.511 4.927 1.00 72.33 C ATOM 1350 CG MET A 88 11.309 1.895 4.850 1.00 4.43 C ATOM 1351 SD MET A 88 9.711 1.893 4.016 1.00 40.33 S ATOM 1352 CE MET A 88 10.116 1.009 2.511 1.00 13.44 C ATOM 0 H MET A 88 10.639 1.025 7.001 1.00 53.21 H new ATOM 0 HA MET A 88 12.659 -0.929 6.347 1.00 53.32 H new ATOM 0 HB2 MET A 88 12.774 0.462 4.237 1.00 72.33 H new ATOM 0 HB3 MET A 88 11.202 -0.226 4.592 1.00 72.33 H new ATOM 0 HG2 MET A 88 11.188 2.291 5.858 1.00 4.43 H new ATOM 0 HG3 MET A 88 11.988 2.566 4.324 1.00 4.43 H new ATOM 0 HE1 MET A 88 9.206 0.832 1.937 1.00 13.44 H new ATOM 0 HE2 MET A 88 10.811 1.602 1.917 1.00 13.44 H new ATOM 0 HE3 MET A 88 10.577 0.054 2.763 1.00 13.44 H new ATOM 1362 N LYS A 89 13.478 2.098 7.273 1.00 61.30 N ATOM 1363 CA LYS A 89 14.595 2.952 7.659 1.00 31.35 C ATOM 1364 C LYS A 89 15.623 2.169 8.470 1.00 1.22 C ATOM 1365 O LYS A 89 16.829 2.359 8.312 1.00 2.30 O ATOM 1366 CB LYS A 89 14.092 4.147 8.472 1.00 42.43 C ATOM 1367 CG LYS A 89 15.103 5.275 8.583 1.00 42.52 C ATOM 1368 CD LYS A 89 14.714 6.269 9.665 1.00 73.33 C ATOM 1369 CE LYS A 89 13.409 6.975 9.329 1.00 3.33 C ATOM 1370 NZ LYS A 89 13.010 7.937 10.394 1.00 51.24 N ATOM 0 H LYS A 89 12.559 2.479 7.498 1.00 61.30 H new ATOM 0 HA LYS A 89 15.075 3.314 6.750 1.00 31.35 H new ATOM 0 HB2 LYS A 89 13.181 4.531 8.013 1.00 42.43 H new ATOM 0 HB3 LYS A 89 13.826 3.809 9.473 1.00 42.43 H new ATOM 0 HG2 LYS A 89 16.087 4.862 8.804 1.00 42.52 H new ATOM 0 HG3 LYS A 89 15.181 5.790 7.626 1.00 42.52 H new ATOM 0 HD2 LYS A 89 14.613 5.750 10.618 1.00 73.33 H new ATOM 0 HD3 LYS A 89 15.508 7.006 9.786 1.00 73.33 H new ATOM 0 HE2 LYS A 89 13.516 7.505 8.382 1.00 3.33 H new ATOM 0 HE3 LYS A 89 12.620 6.235 9.193 1.00 3.33 H new ATOM 0 HZ1 LYS A 89 12.116 8.398 10.128 1.00 51.24 H new ATOM 0 HZ2 LYS A 89 12.884 7.428 11.292 1.00 51.24 H new ATOM 0 HZ3 LYS A 89 13.751 8.658 10.506 1.00 51.24 H new ATOM 1384 N LYS A 90 15.139 1.287 9.338 1.00 14.41 N ATOM 1385 CA LYS A 90 16.015 0.473 10.172 1.00 14.21 C ATOM 1386 C LYS A 90 16.945 -0.379 9.315 1.00 52.25 C ATOM 1387 O LYS A 90 18.114 -0.570 9.651 1.00 74.43 O ATOM 1388 CB LYS A 90 15.186 -0.426 11.092 1.00 11.24 C ATOM 1389 CG LYS A 90 14.581 -1.627 10.386 1.00 4.11 C ATOM 1390 CD LYS A 90 15.500 -2.835 10.455 1.00 21.23 C ATOM 1391 CE LYS A 90 14.711 -4.128 10.597 1.00 42.13 C ATOM 1392 NZ LYS A 90 15.568 -5.253 11.063 1.00 44.20 N ATOM 0 H LYS A 90 14.144 1.118 9.482 1.00 14.41 H new ATOM 0 HA LYS A 90 16.623 1.143 10.780 1.00 14.21 H new ATOM 0 HB2 LYS A 90 15.817 -0.775 11.909 1.00 11.24 H new ATOM 0 HB3 LYS A 90 14.385 0.164 11.538 1.00 11.24 H new ATOM 0 HG2 LYS A 90 13.621 -1.872 10.841 1.00 4.11 H new ATOM 0 HG3 LYS A 90 14.385 -1.377 9.343 1.00 4.11 H new ATOM 0 HD2 LYS A 90 16.113 -2.879 9.555 1.00 21.23 H new ATOM 0 HD3 LYS A 90 16.181 -2.728 11.300 1.00 21.23 H new ATOM 0 HE2 LYS A 90 13.893 -3.979 11.302 1.00 42.13 H new ATOM 0 HE3 LYS A 90 14.262 -4.387 9.638 1.00 42.13 H new ATOM 0 HZ1 LYS A 90 14.993 -6.116 11.147 1.00 44.20 H new ATOM 0 HZ2 LYS A 90 16.334 -5.413 10.378 1.00 44.20 H new ATOM 0 HZ3 LYS A 90 15.976 -5.017 11.990 1.00 44.20 H new ATOM 1406 N VAL A 91 16.419 -0.887 8.204 1.00 0.05 N ATOM 1407 CA VAL A 91 17.203 -1.716 7.297 1.00 22.32 C ATOM 1408 C VAL A 91 18.220 -0.880 6.528 1.00 32.03 C ATOM 1409 O VAL A 91 19.333 -1.332 6.257 1.00 34.33 O ATOM 1410 CB VAL A 91 16.301 -2.458 6.293 1.00 32.35 C ATOM 1411 CG1 VAL A 91 14.904 -2.645 6.867 1.00 44.51 C ATOM 1412 CG2 VAL A 91 16.247 -1.709 4.971 1.00 44.23 C ATOM 0 H VAL A 91 15.453 -0.739 7.911 1.00 0.05 H new ATOM 0 HA VAL A 91 17.728 -2.447 7.912 1.00 22.32 H new ATOM 0 HB VAL A 91 16.727 -3.444 6.108 1.00 32.35 H new ATOM 0 HG11 VAL A 91 14.281 -3.171 6.144 1.00 44.51 H new ATOM 0 HG12 VAL A 91 14.963 -3.228 7.786 1.00 44.51 H new ATOM 0 HG13 VAL A 91 14.466 -1.671 7.083 1.00 44.51 H new ATOM 0 HG21 VAL A 91 15.605 -2.248 4.274 1.00 44.23 H new ATOM 0 HG22 VAL A 91 15.845 -0.709 5.135 1.00 44.23 H new ATOM 0 HG23 VAL A 91 17.252 -1.633 4.555 1.00 44.23 H new ATOM 1422 N ILE A 92 17.830 0.342 6.180 1.00 63.40 N ATOM 1423 CA ILE A 92 18.709 1.242 5.443 1.00 34.04 C ATOM 1424 C ILE A 92 19.897 1.671 6.297 1.00 63.40 C ATOM 1425 O ILE A 92 21.043 1.637 5.847 1.00 1.44 O ATOM 1426 CB ILE A 92 17.955 2.497 4.965 1.00 2.23 C ATOM 1427 CG1 ILE A 92 16.595 2.111 4.382 1.00 73.34 C ATOM 1428 CG2 ILE A 92 18.784 3.253 3.937 1.00 74.52 C ATOM 1429 CD1 ILE A 92 15.959 3.205 3.553 1.00 4.43 C ATOM 0 H ILE A 92 16.912 0.731 6.396 1.00 63.40 H new ATOM 0 HA ILE A 92 19.069 0.691 4.574 1.00 34.04 H new ATOM 0 HB ILE A 92 17.789 3.151 5.821 1.00 2.23 H new ATOM 0 HG12 ILE A 92 16.713 1.221 3.764 1.00 73.34 H new ATOM 0 HG13 ILE A 92 15.922 1.846 5.197 1.00 73.34 H new ATOM 0 HG21 ILE A 92 18.238 4.137 3.609 1.00 74.52 H new ATOM 0 HG22 ILE A 92 19.730 3.556 4.385 1.00 74.52 H new ATOM 0 HG23 ILE A 92 18.978 2.608 3.080 1.00 74.52 H new ATOM 0 HD11 ILE A 92 14.998 2.861 3.172 1.00 4.43 H new ATOM 0 HD12 ILE A 92 15.808 4.090 4.172 1.00 4.43 H new ATOM 0 HD13 ILE A 92 16.612 3.454 2.717 1.00 4.43 H new ATOM 1441 N LYS A 93 19.617 2.072 7.532 1.00 25.34 N ATOM 1442 CA LYS A 93 20.663 2.504 8.452 1.00 11.32 C ATOM 1443 C LYS A 93 21.586 1.344 8.811 1.00 1.20 C ATOM 1444 O LYS A 93 22.807 1.497 8.844 1.00 54.43 O ATOM 1445 CB LYS A 93 20.043 3.088 9.723 1.00 14.44 C ATOM 1446 CG LYS A 93 20.860 4.211 10.339 1.00 40.25 C ATOM 1447 CD LYS A 93 20.453 4.473 11.779 1.00 55.13 C ATOM 1448 CE LYS A 93 19.432 5.597 11.874 1.00 72.24 C ATOM 1449 NZ LYS A 93 20.084 6.933 11.949 1.00 11.51 N ATOM 0 H LYS A 93 18.674 2.107 7.919 1.00 25.34 H new ATOM 0 HA LYS A 93 21.253 3.274 7.955 1.00 11.32 H new ATOM 0 HB2 LYS A 93 19.045 3.461 9.492 1.00 14.44 H new ATOM 0 HB3 LYS A 93 19.924 2.292 10.458 1.00 14.44 H new ATOM 0 HG2 LYS A 93 21.919 3.955 10.300 1.00 40.25 H new ATOM 0 HG3 LYS A 93 20.730 5.120 9.752 1.00 40.25 H new ATOM 0 HD2 LYS A 93 20.036 3.564 12.212 1.00 55.13 H new ATOM 0 HD3 LYS A 93 21.334 4.730 12.366 1.00 55.13 H new ATOM 0 HE2 LYS A 93 18.773 5.563 11.007 1.00 72.24 H new ATOM 0 HE3 LYS A 93 18.808 5.447 12.755 1.00 72.24 H new ATOM 0 HZ1 LYS A 93 19.355 7.672 12.013 1.00 11.51 H new ATOM 0 HZ2 LYS A 93 20.694 6.975 12.790 1.00 11.51 H new ATOM 0 HZ3 LYS A 93 20.659 7.087 11.096 1.00 11.51 H new ATOM 1463 N ALA A 94 20.995 0.184 9.078 1.00 11.31 N ATOM 1464 CA ALA A 94 21.765 -1.002 9.431 1.00 72.12 C ATOM 1465 C ALA A 94 22.631 -1.462 8.263 1.00 74.03 C ATOM 1466 O ALA A 94 23.754 -1.929 8.454 1.00 1.54 O ATOM 1467 CB ALA A 94 20.835 -2.122 9.874 1.00 2.13 C ATOM 0 H ALA A 94 19.985 0.040 9.057 1.00 11.31 H new ATOM 0 HA ALA A 94 22.425 -0.743 10.259 1.00 72.12 H new ATOM 0 HB1 ALA A 94 21.423 -3.002 10.135 1.00 2.13 H new ATOM 0 HB2 ALA A 94 20.263 -1.797 10.743 1.00 2.13 H new ATOM 0 HB3 ALA A 94 20.152 -2.370 9.062 1.00 2.13 H new ATOM 1473 N THR A 95 22.101 -1.328 7.051 1.00 73.53 N ATOM 1474 CA THR A 95 22.824 -1.732 5.852 1.00 62.14 C ATOM 1475 C THR A 95 24.007 -0.808 5.586 1.00 54.54 C ATOM 1476 O THR A 95 25.111 -1.265 5.293 1.00 31.23 O ATOM 1477 CB THR A 95 21.904 -1.739 4.616 1.00 3.11 C ATOM 1478 OG1 THR A 95 20.900 -2.750 4.758 1.00 3.15 O ATOM 1479 CG2 THR A 95 22.705 -1.987 3.347 1.00 71.33 C ATOM 0 H THR A 95 21.173 -0.943 6.874 1.00 73.53 H new ATOM 0 HA THR A 95 23.189 -2.744 6.029 1.00 62.14 H new ATOM 0 HB THR A 95 21.427 -0.762 4.540 1.00 3.11 H new ATOM 0 HG1 THR A 95 21.329 -3.622 4.881 1.00 3.15 H new ATOM 0 HG21 THR A 95 22.034 -1.988 2.488 1.00 71.33 H new ATOM 0 HG22 THR A 95 23.449 -1.199 3.226 1.00 71.33 H new ATOM 0 HG23 THR A 95 23.207 -2.952 3.416 1.00 71.33 H new ATOM 1487 N ALA A 96 23.768 0.496 5.689 1.00 32.34 N ATOM 1488 CA ALA A 96 24.814 1.485 5.463 1.00 65.54 C ATOM 1489 C ALA A 96 25.884 1.411 6.547 1.00 31.41 C ATOM 1490 O ALA A 96 27.079 1.411 6.253 1.00 32.55 O ATOM 1491 CB ALA A 96 24.216 2.882 5.403 1.00 41.20 C ATOM 0 H ALA A 96 22.859 0.891 5.928 1.00 32.34 H new ATOM 0 HA ALA A 96 25.288 1.264 4.507 1.00 65.54 H new ATOM 0 HB1 ALA A 96 25.009 3.610 5.234 1.00 41.20 H new ATOM 0 HB2 ALA A 96 23.495 2.934 4.587 1.00 41.20 H new ATOM 0 HB3 ALA A 96 23.715 3.104 6.345 1.00 41.20 H new ATOM 1497 N GLU A 97 25.446 1.349 7.801 1.00 73.33 N ATOM 1498 CA GLU A 97 26.367 1.276 8.929 1.00 41.15 C ATOM 1499 C GLU A 97 27.154 -0.031 8.905 1.00 45.14 C ATOM 1500 O GLU A 97 28.316 -0.077 9.309 1.00 45.10 O ATOM 1501 CB GLU A 97 25.603 1.400 10.249 1.00 43.15 C ATOM 1502 CG GLU A 97 24.940 0.107 10.692 1.00 71.14 C ATOM 1503 CD GLU A 97 25.871 -0.781 11.494 1.00 60.43 C ATOM 1504 OE1 GLU A 97 27.011 -0.352 11.769 1.00 72.13 O ATOM 1505 OE2 GLU A 97 25.459 -1.906 11.847 1.00 71.34 O ATOM 0 H GLU A 97 24.460 1.348 8.061 1.00 73.33 H new ATOM 0 HA GLU A 97 27.070 2.105 8.845 1.00 41.15 H new ATOM 0 HB2 GLU A 97 26.291 1.731 11.027 1.00 43.15 H new ATOM 0 HB3 GLU A 97 24.841 2.173 10.147 1.00 43.15 H new ATOM 0 HG2 GLU A 97 24.061 0.341 11.292 1.00 71.14 H new ATOM 0 HG3 GLU A 97 24.591 -0.437 9.814 1.00 71.14 H new ATOM 1512 N LYS A 98 26.513 -1.092 8.428 1.00 31.53 N ATOM 1513 CA LYS A 98 27.151 -2.401 8.350 1.00 31.21 C ATOM 1514 C LYS A 98 28.420 -2.338 7.506 1.00 72.31 C ATOM 1515 O LYS A 98 29.427 -2.966 7.833 1.00 32.51 O ATOM 1516 CB LYS A 98 26.183 -3.429 7.759 1.00 10.22 C ATOM 1517 CG LYS A 98 26.813 -4.789 7.517 1.00 65.21 C ATOM 1518 CD LYS A 98 26.115 -5.878 8.315 1.00 43.50 C ATOM 1519 CE LYS A 98 26.849 -6.174 9.614 1.00 63.33 C ATOM 1520 NZ LYS A 98 28.232 -6.669 9.369 1.00 45.54 N ATOM 0 H LYS A 98 25.551 -1.071 8.089 1.00 31.53 H new ATOM 0 HA LYS A 98 27.422 -2.706 9.361 1.00 31.21 H new ATOM 0 HB2 LYS A 98 25.334 -3.546 8.433 1.00 10.22 H new ATOM 0 HB3 LYS A 98 25.791 -3.047 6.816 1.00 10.22 H new ATOM 0 HG2 LYS A 98 26.766 -5.029 6.455 1.00 65.21 H new ATOM 0 HG3 LYS A 98 27.868 -4.756 7.790 1.00 65.21 H new ATOM 0 HD2 LYS A 98 25.093 -5.571 8.535 1.00 43.50 H new ATOM 0 HD3 LYS A 98 26.053 -6.786 7.716 1.00 43.50 H new ATOM 0 HE2 LYS A 98 26.889 -5.271 10.223 1.00 63.33 H new ATOM 0 HE3 LYS A 98 26.293 -6.918 10.184 1.00 63.33 H new ATOM 0 HZ1 LYS A 98 28.525 -7.283 10.155 1.00 45.54 H new ATOM 0 HZ2 LYS A 98 28.255 -7.209 8.481 1.00 45.54 H new ATOM 0 HZ3 LYS A 98 28.883 -5.861 9.300 1.00 45.54 H new ATOM 1534 N PHE A 99 28.365 -1.575 6.419 1.00 32.42 N ATOM 1535 CA PHE A 99 29.510 -1.430 5.528 1.00 22.13 C ATOM 1536 C PHE A 99 30.680 -0.767 6.250 1.00 54.52 C ATOM 1537 O PHE A 99 31.843 -1.050 5.963 1.00 31.54 O ATOM 1538 CB PHE A 99 29.124 -0.609 4.296 1.00 1.24 C ATOM 1539 CG PHE A 99 28.607 -1.442 3.159 1.00 52.23 C ATOM 1540 CD1 PHE A 99 29.432 -2.352 2.518 1.00 41.11 C ATOM 1541 CD2 PHE A 99 27.295 -1.315 2.730 1.00 23.33 C ATOM 1542 CE1 PHE A 99 28.959 -3.119 1.470 1.00 13.02 C ATOM 1543 CE2 PHE A 99 26.816 -2.080 1.683 1.00 21.13 C ATOM 1544 CZ PHE A 99 27.649 -2.984 1.053 1.00 11.22 C ATOM 0 H PHE A 99 27.540 -1.048 6.134 1.00 32.42 H new ATOM 0 HA PHE A 99 29.820 -2.425 5.209 1.00 22.13 H new ATOM 0 HB2 PHE A 99 28.363 0.119 4.578 1.00 1.24 H new ATOM 0 HB3 PHE A 99 29.994 -0.046 3.957 1.00 1.24 H new ATOM 0 HD1 PHE A 99 30.457 -2.463 2.841 1.00 41.11 H new ATOM 0 HD2 PHE A 99 26.639 -0.610 3.220 1.00 23.33 H new ATOM 0 HE1 PHE A 99 29.613 -3.823 0.978 1.00 13.02 H new ATOM 0 HE2 PHE A 99 25.792 -1.971 1.358 1.00 21.13 H new ATOM 0 HZ PHE A 99 27.277 -3.584 0.236 1.00 11.22 H new ATOM 1554 N LYS A 100 30.362 0.120 7.187 1.00 23.24 N ATOM 1555 CA LYS A 100 31.384 0.825 7.952 1.00 64.22 C ATOM 1556 C LYS A 100 32.251 -0.156 8.735 1.00 11.14 C ATOM 1557 O LYS A 100 33.421 0.112 9.003 1.00 44.25 O ATOM 1558 CB LYS A 100 30.734 1.826 8.910 1.00 64.41 C ATOM 1559 CG LYS A 100 31.439 3.170 8.955 1.00 2.30 C ATOM 1560 CD LYS A 100 32.906 3.019 9.323 1.00 14.24 C ATOM 1561 CE LYS A 100 33.073 2.423 10.713 1.00 53.52 C ATOM 1562 NZ LYS A 100 32.519 3.315 11.769 1.00 55.21 N ATOM 0 H LYS A 100 29.404 0.368 7.435 1.00 23.24 H new ATOM 0 HA LYS A 100 32.020 1.364 7.250 1.00 64.22 H new ATOM 0 HB2 LYS A 100 29.696 1.979 8.613 1.00 64.41 H new ATOM 0 HB3 LYS A 100 30.719 1.399 9.913 1.00 64.41 H new ATOM 0 HG2 LYS A 100 31.355 3.658 7.984 1.00 2.30 H new ATOM 0 HG3 LYS A 100 30.946 3.816 9.681 1.00 2.30 H new ATOM 0 HD2 LYS A 100 33.402 2.382 8.591 1.00 14.24 H new ATOM 0 HD3 LYS A 100 33.395 3.992 9.282 1.00 14.24 H new ATOM 0 HE2 LYS A 100 32.573 1.455 10.756 1.00 53.52 H new ATOM 0 HE3 LYS A 100 34.131 2.244 10.907 1.00 53.52 H new ATOM 0 HZ1 LYS A 100 32.814 2.970 12.705 1.00 55.21 H new ATOM 0 HZ2 LYS A 100 32.875 4.282 11.629 1.00 55.21 H new ATOM 0 HZ3 LYS A 100 31.481 3.317 11.712 1.00 55.21 H new ATOM 1576 N ASN A 101 31.668 -1.294 9.099 1.00 0.44 N ATOM 1577 CA ASN A 101 32.388 -2.315 9.852 1.00 40.34 C ATOM 1578 C ASN A 101 33.567 -2.853 9.047 1.00 72.43 C ATOM 1579 O ASN A 101 34.471 -3.484 9.595 1.00 71.43 O ATOM 1580 CB ASN A 101 31.446 -3.461 10.227 1.00 40.43 C ATOM 1581 CG ASN A 101 30.287 -2.998 11.088 1.00 10.32 C ATOM 1582 OD1 ASN A 101 30.227 -1.838 11.497 1.00 42.12 O ATOM 1583 ND2 ASN A 101 29.359 -3.905 11.368 1.00 30.34 N ATOM 0 H ASN A 101 30.700 -1.532 8.885 1.00 0.44 H new ATOM 0 HA ASN A 101 32.772 -1.857 10.763 1.00 40.34 H new ATOM 0 HB2 ASN A 101 31.059 -3.922 9.318 1.00 40.43 H new ATOM 0 HB3 ASN A 101 32.007 -4.229 10.760 1.00 40.43 H new ATOM 0 HD21 ASN A 101 28.556 -3.652 11.943 1.00 30.34 H new ATOM 0 HD22 ASN A 101 29.449 -4.855 11.008 1.00 30.34 H new ATOM 1590 N LYS A 102 33.551 -2.600 7.743 1.00 51.45 N ATOM 1591 CA LYS A 102 34.618 -3.056 6.861 1.00 63.45 C ATOM 1592 C LYS A 102 35.531 -1.900 6.467 1.00 41.53 C ATOM 1593 O LYS A 102 36.553 -2.098 5.811 1.00 0.11 O ATOM 1594 CB LYS A 102 34.029 -3.705 5.606 1.00 52.31 C ATOM 1595 CG LYS A 102 34.997 -4.628 4.887 1.00 74.43 C ATOM 1596 CD LYS A 102 35.266 -5.889 5.691 1.00 72.33 C ATOM 1597 CE LYS A 102 34.410 -7.051 5.209 1.00 11.22 C ATOM 1598 NZ LYS A 102 34.359 -8.154 6.209 1.00 54.44 N ATOM 0 H LYS A 102 32.809 -2.081 7.273 1.00 51.45 H new ATOM 0 HA LYS A 102 35.210 -3.795 7.401 1.00 63.45 H new ATOM 0 HB2 LYS A 102 33.139 -4.270 5.883 1.00 52.31 H new ATOM 0 HB3 LYS A 102 33.708 -2.922 4.919 1.00 52.31 H new ATOM 0 HG2 LYS A 102 34.589 -4.897 3.913 1.00 74.43 H new ATOM 0 HG3 LYS A 102 35.935 -4.103 4.706 1.00 74.43 H new ATOM 0 HD2 LYS A 102 36.320 -6.155 5.611 1.00 72.33 H new ATOM 0 HD3 LYS A 102 35.064 -5.700 6.745 1.00 72.33 H new ATOM 0 HE2 LYS A 102 33.399 -6.698 5.006 1.00 11.22 H new ATOM 0 HE3 LYS A 102 34.810 -7.431 4.269 1.00 11.22 H new ATOM 0 HZ1 LYS A 102 34.307 -9.068 5.715 1.00 54.44 H new ATOM 0 HZ2 LYS A 102 35.215 -8.127 6.799 1.00 54.44 H new ATOM 0 HZ3 LYS A 102 33.519 -8.038 6.812 1.00 54.44 H new ATOM 1612 N GLY A 103 35.156 -0.690 6.873 1.00 74.32 N ATOM 1613 CA GLY A 103 35.952 0.480 6.554 1.00 64.10 C ATOM 1614 C GLY A 103 35.432 1.222 5.339 1.00 42.10 C ATOM 1615 O GLY A 103 36.081 1.247 4.293 1.00 71.22 O ATOM 0 H GLY A 103 34.315 -0.500 7.417 1.00 74.32 H new ATOM 0 HA2 GLY A 103 35.961 1.154 7.411 1.00 64.10 H new ATOM 0 HA3 GLY A 103 36.984 0.176 6.376 1.00 64.10 H new ATOM 1619 N PHE A 104 34.257 1.828 5.476 1.00 62.43 N ATOM 1620 CA PHE A 104 33.649 2.572 4.379 1.00 35.22 C ATOM 1621 C PHE A 104 32.783 3.711 4.910 1.00 74.34 C ATOM 1622 O PHE A 104 31.919 3.505 5.763 1.00 60.44 O ATOM 1623 CB PHE A 104 32.806 1.639 3.507 1.00 33.34 C ATOM 1624 CG PHE A 104 33.613 0.588 2.800 1.00 53.14 C ATOM 1625 CD1 PHE A 104 33.890 -0.622 3.414 1.00 23.14 C ATOM 1626 CD2 PHE A 104 34.094 0.811 1.520 1.00 41.14 C ATOM 1627 CE1 PHE A 104 34.632 -1.591 2.766 1.00 63.33 C ATOM 1628 CE2 PHE A 104 34.836 -0.154 0.866 1.00 62.41 C ATOM 1629 CZ PHE A 104 35.107 -1.356 1.490 1.00 33.51 C ATOM 0 H PHE A 104 33.707 1.818 6.335 1.00 62.43 H new ATOM 0 HA PHE A 104 34.449 2.998 3.774 1.00 35.22 H new ATOM 0 HB2 PHE A 104 32.056 1.152 4.130 1.00 33.34 H new ATOM 0 HB3 PHE A 104 32.269 2.233 2.767 1.00 33.34 H new ATOM 0 HD1 PHE A 104 33.522 -0.811 4.412 1.00 23.14 H new ATOM 0 HD2 PHE A 104 33.887 1.750 1.028 1.00 41.14 H new ATOM 0 HE1 PHE A 104 34.840 -2.531 3.256 1.00 63.33 H new ATOM 0 HE2 PHE A 104 35.204 0.032 -0.132 1.00 62.41 H new ATOM 0 HZ PHE A 104 35.689 -2.111 0.982 1.00 33.51 H new ATOM 1639 N LYS A 105 33.021 4.914 4.399 1.00 55.02 N ATOM 1640 CA LYS A 105 32.264 6.087 4.819 1.00 54.33 C ATOM 1641 C LYS A 105 30.779 5.913 4.517 1.00 55.51 C ATOM 1642 O LYS A 105 30.404 5.459 3.436 1.00 55.11 O ATOM 1643 CB LYS A 105 32.794 7.340 4.117 1.00 21.24 C ATOM 1644 CG LYS A 105 31.971 8.586 4.393 1.00 12.10 C ATOM 1645 CD LYS A 105 32.068 9.008 5.850 1.00 60.15 C ATOM 1646 CE LYS A 105 33.198 10.002 6.068 1.00 41.35 C ATOM 1647 NZ LYS A 105 34.508 9.320 6.256 1.00 4.33 N ATOM 0 H LYS A 105 33.733 5.102 3.693 1.00 55.02 H new ATOM 0 HA LYS A 105 32.387 6.201 5.896 1.00 54.33 H new ATOM 0 HB2 LYS A 105 33.822 7.516 4.434 1.00 21.24 H new ATOM 0 HB3 LYS A 105 32.818 7.161 3.042 1.00 21.24 H new ATOM 0 HG2 LYS A 105 32.315 9.399 3.754 1.00 12.10 H new ATOM 0 HG3 LYS A 105 30.928 8.399 4.136 1.00 12.10 H new ATOM 0 HD2 LYS A 105 31.124 9.454 6.164 1.00 60.15 H new ATOM 0 HD3 LYS A 105 32.229 8.129 6.474 1.00 60.15 H new ATOM 0 HE2 LYS A 105 33.259 10.676 5.213 1.00 41.35 H new ATOM 0 HE3 LYS A 105 32.979 10.615 6.942 1.00 41.35 H new ATOM 0 HZ1 LYS A 105 35.139 9.929 6.815 1.00 4.33 H new ATOM 0 HZ2 LYS A 105 34.362 8.420 6.756 1.00 4.33 H new ATOM 0 HZ3 LYS A 105 34.939 9.134 5.328 1.00 4.33 H new ATOM 1661 N VAL A 106 29.937 6.279 5.479 1.00 51.24 N ATOM 1662 CA VAL A 106 28.493 6.166 5.314 1.00 34.05 C ATOM 1663 C VAL A 106 27.821 7.532 5.401 1.00 30.22 C ATOM 1664 O VAL A 106 28.046 8.286 6.347 1.00 23.21 O ATOM 1665 CB VAL A 106 27.878 5.236 6.377 1.00 22.41 C ATOM 1666 CG1 VAL A 106 26.381 5.083 6.153 1.00 45.53 C ATOM 1667 CG2 VAL A 106 28.569 3.880 6.361 1.00 15.12 C ATOM 0 H VAL A 106 30.230 6.656 6.380 1.00 51.24 H new ATOM 0 HA VAL A 106 28.320 5.741 4.325 1.00 34.05 H new ATOM 0 HB VAL A 106 28.029 5.685 7.359 1.00 22.41 H new ATOM 0 HG11 VAL A 106 25.965 4.423 6.914 1.00 45.53 H new ATOM 0 HG12 VAL A 106 25.902 6.060 6.219 1.00 45.53 H new ATOM 0 HG13 VAL A 106 26.203 4.657 5.166 1.00 45.53 H new ATOM 0 HG21 VAL A 106 28.122 3.235 7.118 1.00 15.12 H new ATOM 0 HG22 VAL A 106 28.450 3.423 5.379 1.00 15.12 H new ATOM 0 HG23 VAL A 106 29.630 4.010 6.575 1.00 15.12 H new ATOM 1677 N GLU A 107 26.995 7.843 4.407 1.00 14.14 N ATOM 1678 CA GLU A 107 26.290 9.119 4.372 1.00 41.31 C ATOM 1679 C GLU A 107 24.798 8.910 4.132 1.00 14.44 C ATOM 1680 O GLU A 107 24.398 8.076 3.320 1.00 73.13 O ATOM 1681 CB GLU A 107 26.872 10.018 3.279 1.00 3.32 C ATOM 1682 CG GLU A 107 26.085 11.300 3.062 1.00 61.43 C ATOM 1683 CD GLU A 107 26.921 12.399 2.435 1.00 22.33 C ATOM 1684 OE1 GLU A 107 28.093 12.133 2.095 1.00 72.10 O ATOM 1685 OE2 GLU A 107 26.403 13.525 2.285 1.00 12.13 O ATOM 0 H GLU A 107 26.798 7.230 3.616 1.00 14.14 H new ATOM 0 HA GLU A 107 26.420 9.604 5.340 1.00 41.31 H new ATOM 0 HB2 GLU A 107 27.900 10.272 3.538 1.00 3.32 H new ATOM 0 HB3 GLU A 107 26.908 9.461 2.343 1.00 3.32 H new ATOM 0 HG2 GLU A 107 25.227 11.091 2.423 1.00 61.43 H new ATOM 0 HG3 GLU A 107 25.693 11.647 4.018 1.00 61.43 H new ATOM 1692 N THR A 108 23.977 9.674 4.847 1.00 51.44 N ATOM 1693 CA THR A 108 22.529 9.573 4.714 1.00 21.11 C ATOM 1694 C THR A 108 21.925 10.895 4.256 1.00 52.31 C ATOM 1695 O THR A 108 22.253 11.956 4.788 1.00 50.03 O ATOM 1696 CB THR A 108 21.871 9.154 6.043 1.00 64.05 C ATOM 1697 OG1 THR A 108 21.995 10.208 7.004 1.00 24.42 O ATOM 1698 CG2 THR A 108 22.511 7.886 6.587 1.00 62.32 C ATOM 0 H THR A 108 24.291 10.369 5.524 1.00 51.44 H new ATOM 0 HA THR A 108 22.333 8.808 3.963 1.00 21.11 H new ATOM 0 HB THR A 108 20.816 8.957 5.855 1.00 64.05 H new ATOM 0 HG1 THR A 108 21.573 9.935 7.845 1.00 24.42 H new ATOM 0 HG21 THR A 108 22.030 7.610 7.525 1.00 62.32 H new ATOM 0 HG22 THR A 108 22.389 7.078 5.865 1.00 62.32 H new ATOM 0 HG23 THR A 108 23.573 8.060 6.761 1.00 62.32 H new ATOM 1706 N ASP A 109 21.040 10.825 3.267 1.00 4.12 N ATOM 1707 CA ASP A 109 20.388 12.018 2.738 1.00 25.53 C ATOM 1708 C ASP A 109 18.872 11.851 2.733 1.00 61.41 C ATOM 1709 O ASP A 109 18.331 11.029 1.994 1.00 41.04 O ATOM 1710 CB ASP A 109 20.887 12.312 1.323 1.00 73.25 C ATOM 1711 CG ASP A 109 20.903 13.795 1.011 1.00 12.41 C ATOM 1712 OD1 ASP A 109 21.076 14.598 1.953 1.00 73.25 O ATOM 1713 OD2 ASP A 109 20.743 14.154 -0.174 1.00 43.12 O ATOM 0 H ASP A 109 20.758 9.955 2.816 1.00 4.12 H new ATOM 0 HA ASP A 109 20.640 12.858 3.385 1.00 25.53 H new ATOM 0 HB2 ASP A 109 21.892 11.908 1.204 1.00 73.25 H new ATOM 0 HB3 ASP A 109 20.250 11.799 0.602 1.00 73.25 H new ATOM 1718 N MET A 110 18.193 12.635 3.563 1.00 33.13 N ATOM 1719 CA MET A 110 16.738 12.574 3.654 1.00 64.43 C ATOM 1720 C MET A 110 16.126 13.964 3.519 1.00 3.34 C ATOM 1721 O MET A 110 15.341 14.223 2.607 1.00 71.45 O ATOM 1722 CB MET A 110 16.315 11.943 4.982 1.00 52.22 C ATOM 1723 CG MET A 110 14.824 12.049 5.257 1.00 55.55 C ATOM 1724 SD MET A 110 13.826 11.213 4.009 1.00 40.00 S ATOM 1725 CE MET A 110 12.438 10.663 4.998 1.00 12.22 C ATOM 0 H MET A 110 18.626 13.320 4.182 1.00 33.13 H new ATOM 0 HA MET A 110 16.373 11.955 2.834 1.00 64.43 H new ATOM 0 HB2 MET A 110 16.603 10.892 4.983 1.00 52.22 H new ATOM 0 HB3 MET A 110 16.861 12.424 5.794 1.00 52.22 H new ATOM 0 HG2 MET A 110 14.608 11.621 6.236 1.00 55.55 H new ATOM 0 HG3 MET A 110 14.540 13.101 5.299 1.00 55.55 H new ATOM 0 HE1 MET A 110 11.730 10.127 4.366 1.00 12.22 H new ATOM 0 HE2 MET A 110 12.793 10.001 5.787 1.00 12.22 H new ATOM 0 HE3 MET A 110 11.944 11.526 5.444 1.00 12.22 H new TER 1735 MET A 110