USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1272 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: B 74 ASN : amide:sc= -2.62! C(o=-2.6!,f=-5.1!) USER MOD Set 1.2: B 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 58 TYR OH : rot 27:sc= 0.0794 USER MOD Set 2.2: B 62 HIS : no HD1:sc= -0.61 K(o=-0.53,f=-2.9!) USER MOD Set 3.1: B 22 TYR OH : rot -123:sc= -2.47! USER MOD Set 3.2: B 52 GLN : amide:sc= -5.65! C(o=-8.1!,f=-7.3!) USER MOD Set 4.1: A 74 ASN : amide:sc= -6.54! K(o=-6.5!,f=-2.4) USER MOD Set 4.2: A 78 GLN : amide:sc= 0 K(o=-6.5,f=-3.6) USER MOD Set 5.1: A 22 TYR OH : rot -70:sc= -2.13! USER MOD Set 5.2: A 52 GLN : amide:sc= -4.11! C(o=-6.2!,f=-5.1!) USER MOD Set 6.1: A 13 CYS SG : rot 177:sc= -3.43 USER MOD Set 6.2: A 27 MET CE :methyl 142:sc= -0.224 (180deg=-1.08) USER MOD Single : A 1 GLY N :NH3+ 145:sc= -0.784 (180deg=-1.34) USER MOD Single : A 2 SER OG : rot 64:sc= 0.281 USER MOD Single : A 6 GLN : amide:sc= -0.281 K(o=-0.28,f=-1.2) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -5.06! C(o=-5.1!,f=-14!) USER MOD Single : A 15 LYS NZ :NH3+ 140:sc= -0.221 (180deg=-1.23!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0944) USER MOD Single : A 30 MET CE :methyl -147:sc= -0.619 (180deg=-2.39) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0917 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.027 (180deg=-0.285) USER MOD Single : A 40 ASN : amide:sc= -0.997 K(o=-1,f=-0.29) USER MOD Single : A 45 SER OG : rot 150:sc= -2.15! USER MOD Single : A 53 TYR OH : rot 180:sc= -0.299 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 84:sc= 0.96 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.58 K(o=0.58,f=-5.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 60:sc= 0.0341 USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot -105:sc= -1.88 USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.341) USER MOD Single : B 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : B 27 MET CE :methyl -102:sc= -0.0407 (180deg=-2.92!) USER MOD Single : B 30 MET CE :methyl -162:sc= -0.737 (180deg=-1.92) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 ASN : amide:sc= -2.78! K(o=-2.8!,f=-0.29) USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 139:sc= -1.26! USER MOD Single : B 56 ASN : amide:sc= -0.04 K(o=-0.04,f=-5.1!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 61 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.6!) USER MOD Single : B 63 ASN : amide:sc= -2.55 K(o=-2.5,f=-13!) USER MOD Single : B 65 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.0058) USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 76 THR OG1 : rot 180:sc= -0.15 USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 79 CYS SG : rot 74:sc= 0.0928 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 48.418 20.384 33.958 1.00 6.58 N ATOM 2 CA GLY A 1 46.924 20.056 33.989 1.00 5.97 C ATOM 3 C GLY A 1 46.101 20.243 32.761 1.00 5.09 C ATOM 4 O GLY A 1 45.041 19.668 32.619 1.00 5.27 O ATOM 0 H1 GLY A 1 48.707 20.772 34.878 1.00 6.58 H new ATOM 0 H2 GLY A 1 48.960 19.518 33.762 1.00 6.58 H new ATOM 0 H3 GLY A 1 48.604 21.085 33.213 1.00 6.58 H new ATOM 0 HA2 GLY A 1 46.826 19.013 34.291 1.00 5.97 H new ATOM 0 HA3 GLY A 1 46.474 20.660 34.777 1.00 5.97 H new ATOM 10 N SER A 2 46.565 21.047 31.842 1.00 4.50 N ATOM 11 CA SER A 2 45.791 21.274 30.590 1.00 3.95 C ATOM 12 C SER A 2 46.527 22.280 29.675 1.00 3.15 C ATOM 13 O SER A 2 46.756 21.974 28.522 1.00 3.20 O ATOM 14 CB SER A 2 44.368 21.760 30.931 1.00 4.48 C ATOM 15 OG SER A 2 43.437 20.748 30.569 1.00 5.04 O ATOM 0 H SER A 2 47.447 21.556 31.905 1.00 4.50 H new ATOM 0 HA SER A 2 45.707 20.333 30.046 1.00 3.95 H new ATOM 0 HB2 SER A 2 44.290 21.981 31.996 1.00 4.48 H new ATOM 0 HB3 SER A 2 44.147 22.684 30.397 1.00 4.48 H new ATOM 0 HG SER A 2 43.593 19.950 31.116 1.00 5.04 H new ATOM 21 N PRO A 3 46.883 23.448 30.184 1.00 2.92 N ATOM 22 CA PRO A 3 47.586 24.447 29.355 1.00 2.64 C ATOM 23 C PRO A 3 48.924 23.869 28.872 1.00 2.05 C ATOM 24 O PRO A 3 49.686 24.527 28.190 1.00 2.43 O ATOM 25 CB PRO A 3 47.793 25.669 30.282 1.00 3.31 C ATOM 26 CG PRO A 3 47.179 25.315 31.668 1.00 3.84 C ATOM 27 CD PRO A 3 46.631 23.871 31.583 1.00 3.57 C ATOM 0 HA PRO A 3 47.027 24.725 28.461 1.00 2.64 H new ATOM 0 HB2 PRO A 3 48.854 25.900 30.380 1.00 3.31 H new ATOM 0 HB3 PRO A 3 47.312 26.553 29.864 1.00 3.31 H new ATOM 0 HG2 PRO A 3 47.933 25.393 32.452 1.00 3.84 H new ATOM 0 HG3 PRO A 3 46.381 26.013 31.923 1.00 3.84 H new ATOM 0 HD2 PRO A 3 47.136 23.214 32.291 1.00 3.57 H new ATOM 0 HD3 PRO A 3 45.568 23.838 31.820 1.00 3.57 H new ATOM 35 N LEU A 4 49.213 22.646 29.221 1.00 1.82 N ATOM 36 CA LEU A 4 50.496 22.029 28.784 1.00 1.56 C ATOM 37 C LEU A 4 50.388 21.600 27.318 1.00 1.26 C ATOM 38 O LEU A 4 51.117 22.073 26.470 1.00 1.39 O ATOM 39 CB LEU A 4 50.794 20.804 29.655 1.00 2.02 C ATOM 40 CG LEU A 4 50.513 21.134 31.123 1.00 2.71 C ATOM 41 CD1 LEU A 4 50.932 19.952 32.001 1.00 3.37 C ATOM 42 CD2 LEU A 4 51.308 22.379 31.531 1.00 3.27 C ATOM 0 H LEU A 4 48.615 22.047 29.790 1.00 1.82 H new ATOM 0 HA LEU A 4 51.302 22.756 28.888 1.00 1.56 H new ATOM 0 HB2 LEU A 4 50.179 19.962 29.337 1.00 2.02 H new ATOM 0 HB3 LEU A 4 51.834 20.503 29.533 1.00 2.02 H new ATOM 0 HG LEU A 4 49.448 21.325 31.253 1.00 2.71 H new ATOM 0 HD11 LEU A 4 50.732 20.187 33.047 1.00 3.37 H new ATOM 0 HD12 LEU A 4 50.366 19.066 31.713 1.00 3.37 H new ATOM 0 HD13 LEU A 4 51.997 19.760 31.869 1.00 3.37 H new ATOM 0 HD21 LEU A 4 51.107 22.613 32.576 1.00 3.27 H new ATOM 0 HD22 LEU A 4 52.373 22.189 31.400 1.00 3.27 H new ATOM 0 HD23 LEU A 4 51.010 23.222 30.907 1.00 3.27 H new ATOM 54 N GLY A 5 49.486 20.698 27.015 1.00 1.15 N ATOM 55 CA GLY A 5 49.328 20.222 25.604 1.00 1.08 C ATOM 56 C GLY A 5 48.115 20.893 24.952 1.00 0.85 C ATOM 57 O GLY A 5 48.028 20.992 23.745 1.00 0.91 O ATOM 0 H GLY A 5 48.850 20.269 27.687 1.00 1.15 H new ATOM 0 HA2 GLY A 5 50.229 20.448 25.033 1.00 1.08 H new ATOM 0 HA3 GLY A 5 49.205 19.139 25.589 1.00 1.08 H new ATOM 61 N GLN A 6 47.176 21.350 25.736 1.00 0.75 N ATOM 62 CA GLN A 6 45.971 22.006 25.147 1.00 0.73 C ATOM 63 C GLN A 6 46.403 23.033 24.097 1.00 0.58 C ATOM 64 O GLN A 6 45.667 23.346 23.182 1.00 0.62 O ATOM 65 CB GLN A 6 45.175 22.707 26.251 1.00 0.91 C ATOM 66 CG GLN A 6 43.875 23.269 25.669 1.00 1.13 C ATOM 67 CD GLN A 6 43.082 23.970 26.773 1.00 1.99 C ATOM 68 OE1 GLN A 6 43.647 24.416 27.752 1.00 2.72 O ATOM 69 NE2 GLN A 6 41.788 24.088 26.656 1.00 2.62 N ATOM 0 H GLN A 6 47.190 21.298 26.755 1.00 0.75 H new ATOM 0 HA GLN A 6 45.345 21.249 24.675 1.00 0.73 H new ATOM 0 HB2 GLN A 6 44.952 22.005 27.054 1.00 0.91 H new ATOM 0 HB3 GLN A 6 45.768 23.511 26.686 1.00 0.91 H new ATOM 0 HG2 GLN A 6 44.098 23.971 24.865 1.00 1.13 H new ATOM 0 HG3 GLN A 6 43.281 22.465 25.235 1.00 1.13 H new ATOM 0 HE21 GLN A 6 41.314 23.714 25.834 1.00 2.62 H new ATOM 0 HE22 GLN A 6 41.250 24.555 27.386 1.00 2.62 H new ATOM 78 N ASP A 7 47.591 23.558 24.217 1.00 0.55 N ATOM 79 CA ASP A 7 48.066 24.558 23.223 1.00 0.53 C ATOM 80 C ASP A 7 47.878 23.996 21.813 1.00 0.43 C ATOM 81 O ASP A 7 47.526 24.705 20.891 1.00 0.48 O ATOM 82 CB ASP A 7 49.550 24.846 23.470 1.00 0.67 C ATOM 83 CG ASP A 7 49.700 25.783 24.671 1.00 1.37 C ATOM 84 OD1 ASP A 7 49.309 26.933 24.553 1.00 1.94 O ATOM 85 OD2 ASP A 7 50.202 25.335 25.688 1.00 2.11 O ATOM 0 H ASP A 7 48.253 23.337 24.961 1.00 0.55 H new ATOM 0 HA ASP A 7 47.495 25.481 23.323 1.00 0.53 H new ATOM 0 HB2 ASP A 7 50.086 23.915 23.654 1.00 0.67 H new ATOM 0 HB3 ASP A 7 49.995 25.300 22.584 1.00 0.67 H new ATOM 90 N VAL A 8 48.109 22.724 21.639 1.00 0.38 N ATOM 91 CA VAL A 8 47.942 22.113 20.290 1.00 0.43 C ATOM 92 C VAL A 8 46.471 22.193 19.877 1.00 0.40 C ATOM 93 O VAL A 8 46.146 22.579 18.772 1.00 0.55 O ATOM 94 CB VAL A 8 48.381 20.648 20.333 1.00 0.52 C ATOM 95 CG1 VAL A 8 48.465 20.099 18.909 1.00 1.02 C ATOM 96 CG2 VAL A 8 49.756 20.546 20.998 1.00 1.23 C ATOM 0 H VAL A 8 48.406 22.081 22.373 1.00 0.38 H new ATOM 0 HA VAL A 8 48.555 22.652 19.568 1.00 0.43 H new ATOM 0 HB VAL A 8 47.656 20.069 20.905 1.00 0.52 H new ATOM 0 HG11 VAL A 8 48.778 19.055 18.939 1.00 1.02 H new ATOM 0 HG12 VAL A 8 47.487 20.171 18.433 1.00 1.02 H new ATOM 0 HG13 VAL A 8 49.190 20.679 18.338 1.00 1.02 H new ATOM 0 HG21 VAL A 8 50.069 19.502 21.029 1.00 1.23 H new ATOM 0 HG22 VAL A 8 50.481 21.125 20.426 1.00 1.23 H new ATOM 0 HG23 VAL A 8 49.699 20.938 22.014 1.00 1.23 H new ATOM 106 N PHE A 9 45.576 21.836 20.758 1.00 0.27 N ATOM 107 CA PHE A 9 44.124 21.897 20.418 1.00 0.25 C ATOM 108 C PHE A 9 43.813 23.250 19.775 1.00 0.25 C ATOM 109 O PHE A 9 43.127 23.329 18.776 1.00 0.36 O ATOM 110 CB PHE A 9 43.301 21.726 21.702 1.00 0.23 C ATOM 111 CG PHE A 9 41.894 21.301 21.357 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.922 22.264 21.066 1.00 0.20 C ATOM 113 CD2 PHE A 9 41.563 19.941 21.329 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.619 21.868 20.747 1.00 0.21 C ATOM 115 CE2 PHE A 9 40.259 19.545 21.010 1.00 0.19 C ATOM 116 CZ PHE A 9 39.288 20.509 20.719 1.00 0.20 C ATOM 0 H PHE A 9 45.787 21.504 21.699 1.00 0.27 H new ATOM 0 HA PHE A 9 43.870 21.101 19.718 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.767 20.981 22.347 1.00 0.23 H new ATOM 0 HB3 PHE A 9 43.281 22.663 22.259 1.00 0.23 H new ATOM 0 HD1 PHE A 9 41.178 23.313 21.088 1.00 0.20 H new ATOM 0 HD2 PHE A 9 42.314 19.198 21.553 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.868 22.611 20.522 1.00 0.21 H new ATOM 0 HE2 PHE A 9 40.003 18.496 20.989 1.00 0.19 H new ATOM 0 HZ PHE A 9 38.282 20.204 20.472 1.00 0.20 H new ATOM 126 N LEU A 10 44.322 24.313 20.332 1.00 0.21 N ATOM 127 CA LEU A 10 44.061 25.651 19.738 1.00 0.21 C ATOM 128 C LEU A 10 44.703 25.706 18.352 1.00 0.22 C ATOM 129 O LEU A 10 44.196 26.338 17.446 1.00 0.27 O ATOM 130 CB LEU A 10 44.662 26.739 20.628 1.00 0.24 C ATOM 131 CG LEU A 10 44.164 26.566 22.066 1.00 0.27 C ATOM 132 CD1 LEU A 10 44.846 27.602 22.958 1.00 0.31 C ATOM 133 CD2 LEU A 10 42.641 26.766 22.123 1.00 0.28 C ATOM 0 H LEU A 10 44.905 24.313 21.169 1.00 0.21 H new ATOM 0 HA LEU A 10 42.987 25.816 19.657 1.00 0.21 H new ATOM 0 HB2 LEU A 10 45.750 26.684 20.601 1.00 0.24 H new ATOM 0 HB3 LEU A 10 44.383 27.724 20.253 1.00 0.24 H new ATOM 0 HG LEU A 10 44.403 25.561 22.413 1.00 0.27 H new ATOM 0 HD11 LEU A 10 44.497 27.485 23.984 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.926 27.457 22.924 1.00 0.31 H new ATOM 0 HD13 LEU A 10 44.603 28.604 22.604 1.00 0.31 H new ATOM 0 HD21 LEU A 10 42.296 26.641 23.149 1.00 0.28 H new ATOM 0 HD22 LEU A 10 42.393 27.769 21.776 1.00 0.28 H new ATOM 0 HD23 LEU A 10 42.153 26.030 21.484 1.00 0.28 H new ATOM 145 N ASP A 11 45.810 25.035 18.175 1.00 0.21 N ATOM 146 CA ASP A 11 46.472 25.039 16.842 1.00 0.23 C ATOM 147 C ASP A 11 45.464 24.559 15.798 1.00 0.20 C ATOM 148 O ASP A 11 45.171 25.248 14.841 1.00 0.29 O ATOM 149 CB ASP A 11 47.684 24.102 16.866 1.00 0.27 C ATOM 150 CG ASP A 11 48.586 24.398 15.666 1.00 1.08 C ATOM 151 OD1 ASP A 11 48.223 25.252 14.874 1.00 1.92 O ATOM 152 OD2 ASP A 11 49.623 23.765 15.560 1.00 1.64 O ATOM 0 H ASP A 11 46.282 24.487 18.894 1.00 0.21 H new ATOM 0 HA ASP A 11 46.811 26.045 16.595 1.00 0.23 H new ATOM 0 HB2 ASP A 11 48.241 24.235 17.794 1.00 0.27 H new ATOM 0 HB3 ASP A 11 47.354 23.064 16.838 1.00 0.27 H new ATOM 157 N TYR A 12 44.916 23.387 15.982 1.00 0.14 N ATOM 158 CA TYR A 12 43.913 22.879 15.007 1.00 0.12 C ATOM 159 C TYR A 12 42.781 23.901 14.906 1.00 0.11 C ATOM 160 O TYR A 12 42.347 24.273 13.834 1.00 0.15 O ATOM 161 CB TYR A 12 43.350 21.537 15.497 1.00 0.12 C ATOM 162 CG TYR A 12 44.455 20.494 15.537 1.00 0.16 C ATOM 163 CD1 TYR A 12 45.136 20.139 14.363 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.797 19.880 16.750 1.00 0.20 C ATOM 165 CE1 TYR A 12 46.153 19.177 14.405 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.814 18.918 16.789 1.00 0.27 C ATOM 167 CZ TYR A 12 46.492 18.567 15.616 1.00 0.30 C ATOM 168 OH TYR A 12 47.495 17.620 15.655 1.00 0.37 O ATOM 0 H TYR A 12 45.120 22.763 16.763 1.00 0.14 H new ATOM 0 HA TYR A 12 44.378 22.733 14.032 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.915 21.656 16.489 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.549 21.206 14.836 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.876 20.608 13.426 1.00 0.22 H new ATOM 0 HD2 TYR A 12 44.275 20.149 17.656 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.676 18.906 13.500 1.00 0.28 H new ATOM 0 HE2 TYR A 12 46.075 18.447 17.725 1.00 0.27 H new ATOM 0 HH TYR A 12 47.604 17.297 16.574 1.00 0.37 H new ATOM 178 N CYS A 13 42.312 24.360 16.028 1.00 0.12 N ATOM 179 CA CYS A 13 41.216 25.368 16.042 1.00 0.15 C ATOM 180 C CYS A 13 41.599 26.551 15.149 1.00 0.16 C ATOM 181 O CYS A 13 40.781 27.095 14.435 1.00 0.19 O ATOM 182 CB CYS A 13 41.009 25.854 17.480 1.00 0.19 C ATOM 183 SG CYS A 13 39.408 26.681 17.623 1.00 1.38 S ATOM 0 H CYS A 13 42.645 24.077 16.950 1.00 0.12 H new ATOM 0 HA CYS A 13 40.295 24.921 15.668 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.056 25.011 18.169 1.00 0.19 H new ATOM 0 HB3 CYS A 13 41.809 26.539 17.761 1.00 0.19 H new ATOM 0 HG CYS A 13 39.206 27.024 18.860 1.00 1.38 H new ATOM 189 N GLN A 14 42.838 26.953 15.191 1.00 0.17 N ATOM 190 CA GLN A 14 43.284 28.101 14.356 1.00 0.21 C ATOM 191 C GLN A 14 43.065 27.784 12.873 1.00 0.21 C ATOM 192 O GLN A 14 42.438 28.538 12.157 1.00 0.28 O ATOM 193 CB GLN A 14 44.774 28.354 14.622 1.00 0.25 C ATOM 194 CG GLN A 14 45.240 29.652 13.929 1.00 0.64 C ATOM 195 CD GLN A 14 45.772 29.345 12.523 1.00 0.78 C ATOM 196 OE1 GLN A 14 45.450 28.325 11.947 1.00 1.68 O ATOM 197 NE2 GLN A 14 46.582 30.190 11.948 1.00 1.31 N ATOM 0 H GLN A 14 43.564 26.533 15.771 1.00 0.17 H new ATOM 0 HA GLN A 14 42.707 28.990 14.611 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.950 28.426 15.695 1.00 0.25 H new ATOM 0 HB3 GLN A 14 45.362 27.511 14.259 1.00 0.25 H new ATOM 0 HG2 GLN A 14 44.410 30.356 13.865 1.00 0.64 H new ATOM 0 HG3 GLN A 14 46.019 30.130 14.523 1.00 0.64 H new ATOM 0 HE21 GLN A 14 46.853 31.047 12.431 1.00 1.31 H new ATOM 0 HE22 GLN A 14 46.945 29.994 11.015 1.00 1.31 H new ATOM 206 N LYS A 15 43.578 26.679 12.404 1.00 0.20 N ATOM 207 CA LYS A 15 43.396 26.327 10.967 1.00 0.22 C ATOM 208 C LYS A 15 41.906 26.372 10.617 1.00 0.19 C ATOM 209 O LYS A 15 41.484 27.111 9.750 1.00 0.22 O ATOM 210 CB LYS A 15 43.942 24.920 10.716 1.00 0.25 C ATOM 211 CG LYS A 15 45.450 24.901 11.001 1.00 0.57 C ATOM 212 CD LYS A 15 45.950 23.458 11.144 1.00 1.16 C ATOM 213 CE LYS A 15 46.028 22.796 9.768 1.00 1.52 C ATOM 214 NZ LYS A 15 46.905 23.604 8.874 1.00 2.24 N ATOM 0 H LYS A 15 44.114 26.006 12.952 1.00 0.20 H new ATOM 0 HA LYS A 15 43.935 27.041 10.344 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.431 24.200 11.355 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.752 24.623 9.685 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.985 25.400 10.193 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.661 25.458 11.914 1.00 0.57 H new ATOM 0 HD2 LYS A 15 46.932 23.449 11.618 1.00 1.16 H new ATOM 0 HD3 LYS A 15 45.279 22.894 11.791 1.00 1.16 H new ATOM 0 HE2 LYS A 15 46.421 21.784 9.862 1.00 1.52 H new ATOM 0 HE3 LYS A 15 45.031 22.712 9.337 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 47.493 22.969 8.298 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 46.317 24.193 8.250 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 47.518 24.216 9.450 1.00 2.24 H new ATOM 228 N LEU A 16 41.103 25.593 11.293 1.00 0.15 N ATOM 229 CA LEU A 16 39.638 25.596 11.012 1.00 0.13 C ATOM 230 C LEU A 16 39.145 27.047 10.948 1.00 0.13 C ATOM 231 O LEU A 16 38.143 27.352 10.333 1.00 0.17 O ATOM 232 CB LEU A 16 38.920 24.833 12.151 1.00 0.11 C ATOM 233 CG LEU A 16 37.798 23.943 11.589 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.397 22.711 10.871 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.891 23.502 12.746 1.00 0.17 C ATOM 0 H LEU A 16 41.400 24.953 12.030 1.00 0.15 H new ATOM 0 HA LEU A 16 39.426 25.110 10.060 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.639 24.220 12.694 1.00 0.11 H new ATOM 0 HB3 LEU A 16 38.504 25.544 12.865 1.00 0.11 H new ATOM 0 HG LEU A 16 37.213 24.505 10.861 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.591 22.091 10.479 1.00 0.26 H new ATOM 0 HD12 LEU A 16 39.033 23.042 10.050 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.990 22.131 11.578 1.00 0.26 H new ATOM 0 HD21 LEU A 16 36.091 22.870 12.361 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.477 22.942 13.474 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.460 24.381 13.226 1.00 0.17 H new ATOM 247 N LEU A 17 39.847 27.936 11.593 1.00 0.12 N ATOM 248 CA LEU A 17 39.440 29.368 11.595 1.00 0.13 C ATOM 249 C LEU A 17 39.959 30.049 10.323 1.00 0.15 C ATOM 250 O LEU A 17 39.214 30.664 9.586 1.00 0.22 O ATOM 251 CB LEU A 17 40.039 30.037 12.844 1.00 0.12 C ATOM 252 CG LEU A 17 39.181 31.238 13.290 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.941 30.759 14.066 1.00 0.12 C ATOM 254 CD2 LEU A 17 40.016 32.160 14.199 1.00 0.13 C ATOM 0 H LEU A 17 40.693 27.729 12.124 1.00 0.12 H new ATOM 0 HA LEU A 17 38.354 29.458 11.616 1.00 0.13 H new ATOM 0 HB2 LEU A 17 40.104 29.311 13.654 1.00 0.12 H new ATOM 0 HB3 LEU A 17 41.055 30.370 12.631 1.00 0.12 H new ATOM 0 HG LEU A 17 38.858 31.781 12.402 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.348 31.621 14.372 1.00 0.12 H new ATOM 0 HD12 LEU A 17 37.339 30.113 13.427 1.00 0.12 H new ATOM 0 HD13 LEU A 17 38.257 30.203 14.949 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.408 33.008 14.513 1.00 0.13 H new ATOM 0 HD22 LEU A 17 40.345 31.604 15.077 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.886 32.521 13.651 1.00 0.13 H new ATOM 266 N GLU A 18 41.230 29.942 10.066 1.00 0.20 N ATOM 267 CA GLU A 18 41.807 30.578 8.847 1.00 0.25 C ATOM 268 C GLU A 18 41.209 29.921 7.607 1.00 0.21 C ATOM 269 O GLU A 18 40.720 30.580 6.711 1.00 0.25 O ATOM 270 CB GLU A 18 43.322 30.372 8.828 1.00 0.32 C ATOM 271 CG GLU A 18 43.940 30.879 10.132 1.00 1.41 C ATOM 272 CD GLU A 18 44.050 32.406 10.096 1.00 2.13 C ATOM 273 OE1 GLU A 18 43.477 33.000 9.197 1.00 2.77 O ATOM 274 OE2 GLU A 18 44.705 32.954 10.967 1.00 2.62 O ATOM 0 H GLU A 18 41.899 29.440 10.649 1.00 0.20 H new ATOM 0 HA GLU A 18 41.579 31.644 8.855 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.551 29.315 8.695 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.758 30.901 7.981 1.00 0.32 H new ATOM 0 HG2 GLU A 18 43.328 30.569 10.979 1.00 1.41 H new ATOM 0 HG3 GLU A 18 44.927 30.438 10.273 1.00 1.41 H new ATOM 281 N LYS A 19 41.258 28.620 7.548 1.00 0.20 N ATOM 282 CA LYS A 19 40.707 27.900 6.364 1.00 0.20 C ATOM 283 C LYS A 19 39.328 28.461 6.008 1.00 0.18 C ATOM 284 O LYS A 19 39.077 28.840 4.881 1.00 0.24 O ATOM 285 CB LYS A 19 40.589 26.411 6.694 1.00 0.22 C ATOM 286 CG LYS A 19 40.418 25.606 5.404 1.00 0.30 C ATOM 287 CD LYS A 19 39.949 24.192 5.749 1.00 0.37 C ATOM 288 CE LYS A 19 39.956 23.329 4.487 1.00 0.92 C ATOM 289 NZ LYS A 19 38.869 23.779 3.574 1.00 1.77 N ATOM 0 H LYS A 19 41.657 28.021 8.271 1.00 0.20 H new ATOM 0 HA LYS A 19 41.374 28.036 5.513 1.00 0.20 H new ATOM 0 HB2 LYS A 19 41.479 26.076 7.227 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.739 26.242 7.354 1.00 0.22 H new ATOM 0 HG2 LYS A 19 39.693 26.093 4.751 1.00 0.30 H new ATOM 0 HG3 LYS A 19 41.361 25.566 4.859 1.00 0.30 H new ATOM 0 HD2 LYS A 19 40.602 23.755 6.504 1.00 0.37 H new ATOM 0 HD3 LYS A 19 38.946 24.224 6.175 1.00 0.37 H new ATOM 0 HE2 LYS A 19 40.921 23.405 3.986 1.00 0.92 H new ATOM 0 HE3 LYS A 19 39.815 22.280 4.749 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 38.761 23.094 2.799 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 37.976 23.846 4.104 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 39.109 24.711 3.181 1.00 1.77 H new ATOM 303 N PHE A 20 38.436 28.533 6.957 1.00 0.16 N ATOM 304 CA PHE A 20 37.088 29.088 6.667 1.00 0.16 C ATOM 305 C PHE A 20 37.175 30.614 6.734 1.00 0.19 C ATOM 306 O PHE A 20 36.186 31.314 6.639 1.00 0.30 O ATOM 307 CB PHE A 20 36.096 28.572 7.711 1.00 0.14 C ATOM 308 CG PHE A 20 35.727 27.137 7.401 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.621 26.111 7.730 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.500 26.826 6.786 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.297 24.780 7.449 1.00 0.12 C ATOM 312 CE2 PHE A 20 34.180 25.492 6.506 1.00 0.13 C ATOM 313 CZ PHE A 20 35.079 24.470 6.838 1.00 0.12 C ATOM 0 H PHE A 20 38.584 28.231 7.920 1.00 0.16 H new ATOM 0 HA PHE A 20 36.749 28.780 5.678 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.535 28.638 8.707 1.00 0.14 H new ATOM 0 HB3 PHE A 20 35.201 29.195 7.715 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.563 26.348 8.202 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.807 27.614 6.531 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.989 23.991 7.704 1.00 0.12 H new ATOM 0 HE2 PHE A 20 33.239 25.251 6.034 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.830 23.442 6.622 1.00 0.12 H new ATOM 323 N ARG A 21 38.369 31.125 6.886 1.00 0.18 N ATOM 324 CA ARG A 21 38.569 32.604 6.948 1.00 0.21 C ATOM 325 C ARG A 21 37.661 33.239 8.010 1.00 0.18 C ATOM 326 O ARG A 21 37.121 34.308 7.805 1.00 0.19 O ATOM 327 CB ARG A 21 38.245 33.213 5.576 1.00 0.29 C ATOM 328 CG ARG A 21 39.267 32.729 4.510 1.00 0.65 C ATOM 329 CD ARG A 21 40.294 33.829 4.207 1.00 1.12 C ATOM 330 NE ARG A 21 41.113 34.101 5.422 1.00 1.93 N ATOM 331 CZ ARG A 21 42.227 34.772 5.318 1.00 2.67 C ATOM 332 NH1 ARG A 21 42.625 35.198 4.150 1.00 2.95 N ATOM 333 NH2 ARG A 21 42.944 35.015 6.381 1.00 3.64 N ATOM 0 H ARG A 21 39.224 30.575 6.971 1.00 0.18 H new ATOM 0 HA ARG A 21 39.606 32.803 7.217 1.00 0.21 H new ATOM 0 HB2 ARG A 21 37.236 32.931 5.275 1.00 0.29 H new ATOM 0 HB3 ARG A 21 38.266 34.301 5.640 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.778 31.835 4.868 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.743 32.452 3.595 1.00 0.65 H new ATOM 0 HD2 ARG A 21 40.939 33.521 3.384 1.00 1.12 H new ATOM 0 HD3 ARG A 21 39.784 34.738 3.890 1.00 1.12 H new ATOM 0 HE ARG A 21 40.803 33.763 6.333 1.00 1.93 H new ATOM 0 HH11 ARG A 21 42.065 35.006 3.319 1.00 2.95 H new ATOM 0 HH12 ARG A 21 43.496 35.723 4.068 1.00 2.95 H new ATOM 0 HH21 ARG A 21 42.633 34.680 7.293 1.00 3.64 H new ATOM 0 HH22 ARG A 21 43.815 35.540 6.300 1.00 3.64 H new ATOM 347 N TYR A 22 37.488 32.611 9.147 1.00 0.15 N ATOM 348 CA TYR A 22 36.615 33.217 10.201 1.00 0.13 C ATOM 349 C TYR A 22 37.455 34.210 11.048 1.00 0.14 C ATOM 350 O TYR A 22 38.641 34.003 11.209 1.00 0.15 O ATOM 351 CB TYR A 22 36.079 32.110 11.127 1.00 0.11 C ATOM 352 CG TYR A 22 34.854 31.424 10.531 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.716 32.165 10.152 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.854 30.029 10.368 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.600 31.510 9.617 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.735 29.382 9.832 1.00 0.12 C ATOM 357 CZ TYR A 22 32.610 30.122 9.457 1.00 0.13 C ATOM 358 OH TYR A 22 31.508 29.482 8.931 1.00 0.15 O ATOM 0 H TYR A 22 37.909 31.714 9.390 1.00 0.15 H new ATOM 0 HA TYR A 22 35.783 33.736 9.726 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.861 31.371 11.302 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.822 32.538 12.096 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.705 33.238 10.274 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.721 29.454 10.657 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.729 32.079 9.327 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.741 28.309 9.708 1.00 0.12 H new ATOM 0 HH TYR A 22 30.772 29.513 9.578 1.00 0.15 H new ATOM 368 N PRO A 23 36.827 35.244 11.594 1.00 0.14 N ATOM 369 CA PRO A 23 37.538 36.225 12.443 1.00 0.16 C ATOM 370 C PRO A 23 38.188 35.523 13.652 1.00 0.16 C ATOM 371 O PRO A 23 38.063 34.329 13.839 1.00 0.15 O ATOM 372 CB PRO A 23 36.455 37.233 12.894 1.00 0.17 C ATOM 373 CG PRO A 23 35.098 36.752 12.310 1.00 0.15 C ATOM 374 CD PRO A 23 35.387 35.529 11.411 1.00 0.14 C ATOM 0 HA PRO A 23 38.347 36.722 11.908 1.00 0.16 H new ATOM 0 HB2 PRO A 23 36.408 37.284 13.982 1.00 0.17 H new ATOM 0 HB3 PRO A 23 36.692 38.236 12.538 1.00 0.17 H new ATOM 0 HG2 PRO A 23 34.409 36.485 13.111 1.00 0.15 H new ATOM 0 HG3 PRO A 23 34.625 37.548 11.735 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.776 34.674 11.701 1.00 0.14 H new ATOM 0 HD3 PRO A 23 35.158 35.745 10.367 1.00 0.14 H new ATOM 382 N TRP A 24 38.896 36.272 14.456 1.00 0.18 N ATOM 383 CA TRP A 24 39.589 35.688 15.647 1.00 0.19 C ATOM 384 C TRP A 24 38.612 35.467 16.817 1.00 0.19 C ATOM 385 O TRP A 24 38.941 34.802 17.779 1.00 0.21 O ATOM 386 CB TRP A 24 40.694 36.653 16.090 1.00 0.21 C ATOM 387 CG TRP A 24 41.313 36.180 17.369 1.00 0.28 C ATOM 388 CD1 TRP A 24 41.142 36.768 18.575 1.00 0.34 C ATOM 389 CD2 TRP A 24 42.197 35.041 17.592 1.00 0.33 C ATOM 390 NE1 TRP A 24 41.864 36.066 19.523 1.00 0.42 N ATOM 391 CE2 TRP A 24 42.532 34.995 18.967 1.00 0.42 C ATOM 392 CE3 TRP A 24 42.736 34.054 16.746 1.00 0.35 C ATOM 393 CZ2 TRP A 24 43.372 34.009 19.484 1.00 0.50 C ATOM 394 CZ3 TRP A 24 43.583 33.058 17.264 1.00 0.45 C ATOM 395 CH2 TRP A 24 43.901 33.038 18.631 1.00 0.52 C ATOM 0 H TRP A 24 39.026 37.277 14.338 1.00 0.18 H new ATOM 0 HA TRP A 24 40.005 34.720 15.368 1.00 0.19 H new ATOM 0 HB2 TRP A 24 41.456 36.725 15.314 1.00 0.21 H new ATOM 0 HB3 TRP A 24 40.281 37.653 16.225 1.00 0.21 H new ATOM 0 HD1 TRP A 24 40.539 37.644 18.767 1.00 0.34 H new ATOM 0 HE1 TRP A 24 41.898 36.310 20.513 1.00 0.42 H new ATOM 0 HE3 TRP A 24 42.498 34.061 15.693 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 43.612 33.996 20.537 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.991 32.305 16.607 1.00 0.45 H new ATOM 0 HH2 TRP A 24 44.554 32.272 19.023 1.00 0.52 H new ATOM 406 N GLU A 25 37.436 36.037 16.773 1.00 0.18 N ATOM 407 CA GLU A 25 36.486 35.868 17.922 1.00 0.21 C ATOM 408 C GLU A 25 35.667 34.570 17.800 1.00 0.17 C ATOM 409 O GLU A 25 35.029 34.155 18.747 1.00 0.20 O ATOM 410 CB GLU A 25 35.534 37.073 17.977 1.00 0.29 C ATOM 411 CG GLU A 25 35.147 37.494 16.555 1.00 1.15 C ATOM 412 CD GLU A 25 33.887 38.364 16.601 1.00 1.55 C ATOM 413 OE1 GLU A 25 34.027 39.569 16.735 1.00 2.18 O ATOM 414 OE2 GLU A 25 32.805 37.810 16.503 1.00 1.97 O ATOM 0 H GLU A 25 37.091 36.608 16.001 1.00 0.18 H new ATOM 0 HA GLU A 25 37.073 35.807 18.838 1.00 0.21 H new ATOM 0 HB2 GLU A 25 34.640 36.816 18.546 1.00 0.29 H new ATOM 0 HB3 GLU A 25 36.014 37.904 18.494 1.00 0.29 H new ATOM 0 HG2 GLU A 25 35.965 38.046 16.093 1.00 1.15 H new ATOM 0 HG3 GLU A 25 34.970 36.612 15.939 1.00 1.15 H new ATOM 421 N LEU A 26 35.653 33.927 16.660 1.00 0.13 N ATOM 422 CA LEU A 26 34.841 32.670 16.533 1.00 0.11 C ATOM 423 C LEU A 26 35.669 31.444 16.918 1.00 0.10 C ATOM 424 O LEU A 26 35.430 30.356 16.433 1.00 0.11 O ATOM 425 CB LEU A 26 34.358 32.498 15.093 1.00 0.10 C ATOM 426 CG LEU A 26 33.702 33.784 14.586 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.988 33.486 13.268 1.00 0.11 C ATOM 428 CD2 LEU A 26 32.679 34.300 15.609 1.00 0.12 C ATOM 0 H LEU A 26 36.159 34.209 15.821 1.00 0.13 H new ATOM 0 HA LEU A 26 33.989 32.756 17.207 1.00 0.11 H new ATOM 0 HB2 LEU A 26 35.199 32.235 14.451 1.00 0.10 H new ATOM 0 HB3 LEU A 26 33.646 31.675 15.039 1.00 0.10 H new ATOM 0 HG LEU A 26 34.468 34.545 14.439 1.00 0.10 H new ATOM 0 HD11 LEU A 26 32.516 34.395 12.896 1.00 0.11 H new ATOM 0 HD12 LEU A 26 33.711 33.127 12.536 1.00 0.11 H new ATOM 0 HD13 LEU A 26 32.227 32.723 13.431 1.00 0.11 H new ATOM 0 HD21 LEU A 26 32.220 35.215 15.235 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.908 33.545 15.765 1.00 0.12 H new ATOM 0 HD23 LEU A 26 33.182 34.506 16.554 1.00 0.12 H new ATOM 440 N MET A 27 36.629 31.589 17.789 1.00 0.12 N ATOM 441 CA MET A 27 37.433 30.401 18.185 1.00 0.13 C ATOM 442 C MET A 27 36.631 29.474 19.128 1.00 0.11 C ATOM 443 O MET A 27 36.778 28.272 19.033 1.00 0.13 O ATOM 444 CB MET A 27 38.745 30.837 18.858 1.00 0.18 C ATOM 445 CG MET A 27 39.735 31.316 17.796 1.00 0.19 C ATOM 446 SD MET A 27 41.321 31.683 18.583 1.00 1.17 S ATOM 447 CE MET A 27 41.806 29.985 18.989 1.00 0.31 C ATOM 0 H MET A 27 36.889 32.467 18.238 1.00 0.12 H new ATOM 0 HA MET A 27 37.671 29.842 17.280 1.00 0.13 H new ATOM 0 HB2 MET A 27 38.550 31.636 19.574 1.00 0.18 H new ATOM 0 HB3 MET A 27 39.172 30.005 19.418 1.00 0.18 H new ATOM 0 HG2 MET A 27 39.864 30.551 17.031 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.349 32.205 17.297 1.00 0.19 H new ATOM 0 HE1 MET A 27 42.879 29.868 18.841 1.00 0.31 H new ATOM 0 HE2 MET A 27 41.559 29.775 20.030 1.00 0.31 H new ATOM 0 HE3 MET A 27 41.272 29.289 18.341 1.00 0.31 H new ATOM 457 N PRO A 28 35.805 30.015 20.016 1.00 0.10 N ATOM 458 CA PRO A 28 35.024 29.160 20.932 1.00 0.09 C ATOM 459 C PRO A 28 34.176 28.161 20.137 1.00 0.10 C ATOM 460 O PRO A 28 33.826 27.110 20.627 1.00 0.19 O ATOM 461 CB PRO A 28 34.154 30.143 21.743 1.00 0.09 C ATOM 462 CG PRO A 28 34.741 31.556 21.496 1.00 0.11 C ATOM 463 CD PRO A 28 35.570 31.468 20.202 1.00 0.11 C ATOM 0 HA PRO A 28 35.652 28.557 21.587 1.00 0.09 H new ATOM 0 HB2 PRO A 28 33.113 30.094 21.424 1.00 0.09 H new ATOM 0 HB3 PRO A 28 34.174 29.894 22.804 1.00 0.09 H new ATOM 0 HG2 PRO A 28 33.945 32.294 21.397 1.00 0.11 H new ATOM 0 HG3 PRO A 28 35.363 31.869 22.334 1.00 0.11 H new ATOM 0 HD2 PRO A 28 35.033 31.896 19.355 1.00 0.11 H new ATOM 0 HD3 PRO A 28 36.509 32.014 20.293 1.00 0.11 H new ATOM 471 N LEU A 29 33.856 28.469 18.909 1.00 0.11 N ATOM 472 CA LEU A 29 33.051 27.514 18.094 1.00 0.09 C ATOM 473 C LEU A 29 34.008 26.514 17.452 1.00 0.10 C ATOM 474 O LEU A 29 33.873 25.319 17.622 1.00 0.19 O ATOM 475 CB LEU A 29 32.270 28.271 17.016 1.00 0.08 C ATOM 476 CG LEU A 29 31.450 29.394 17.667 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.863 30.292 16.578 1.00 0.09 C ATOM 478 CD2 LEU A 29 30.307 28.792 18.496 1.00 0.08 C ATOM 0 H LEU A 29 34.115 29.335 18.437 1.00 0.11 H new ATOM 0 HA LEU A 29 32.333 26.990 18.726 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.957 28.689 16.280 1.00 0.08 H new ATOM 0 HB3 LEU A 29 31.610 27.587 16.483 1.00 0.08 H new ATOM 0 HG LEU A 29 32.099 29.979 18.318 1.00 0.08 H new ATOM 0 HD11 LEU A 29 30.281 31.090 17.039 1.00 0.09 H new ATOM 0 HD12 LEU A 29 31.671 30.726 15.990 1.00 0.09 H new ATOM 0 HD13 LEU A 29 30.218 29.701 15.928 1.00 0.09 H new ATOM 0 HD21 LEU A 29 29.729 29.594 18.955 1.00 0.08 H new ATOM 0 HD22 LEU A 29 29.659 28.203 17.848 1.00 0.08 H new ATOM 0 HD23 LEU A 29 30.721 28.151 19.275 1.00 0.08 H new ATOM 490 N MET A 30 34.997 26.988 16.745 1.00 0.10 N ATOM 491 CA MET A 30 35.978 26.053 16.134 1.00 0.12 C ATOM 492 C MET A 30 36.510 25.145 17.246 1.00 0.10 C ATOM 493 O MET A 30 37.056 24.087 17.003 1.00 0.11 O ATOM 494 CB MET A 30 37.128 26.858 15.524 1.00 0.16 C ATOM 495 CG MET A 30 36.702 27.425 14.171 1.00 0.19 C ATOM 496 SD MET A 30 35.202 28.422 14.381 1.00 1.16 S ATOM 497 CE MET A 30 34.233 27.704 13.032 1.00 0.20 C ATOM 0 H MET A 30 35.166 27.978 16.566 1.00 0.10 H new ATOM 0 HA MET A 30 35.512 25.457 15.350 1.00 0.12 H new ATOM 0 HB2 MET A 30 37.413 27.669 16.195 1.00 0.16 H new ATOM 0 HB3 MET A 30 38.005 26.222 15.402 1.00 0.16 H new ATOM 0 HG2 MET A 30 37.502 28.035 13.752 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.517 26.614 13.466 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.589 28.469 12.599 1.00 0.20 H new ATOM 0 HE2 MET A 30 34.906 27.320 12.265 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.620 26.889 13.418 1.00 0.20 H new ATOM 507 N TYR A 31 36.335 25.566 18.470 1.00 0.09 N ATOM 508 CA TYR A 31 36.801 24.757 19.631 1.00 0.09 C ATOM 509 C TYR A 31 35.801 23.625 19.878 1.00 0.09 C ATOM 510 O TYR A 31 36.170 22.479 20.048 1.00 0.10 O ATOM 511 CB TYR A 31 36.880 25.663 20.868 1.00 0.09 C ATOM 512 CG TYR A 31 37.102 24.840 22.118 1.00 0.10 C ATOM 513 CD1 TYR A 31 38.393 24.428 22.467 1.00 0.11 C ATOM 514 CD2 TYR A 31 36.016 24.501 22.934 1.00 0.10 C ATOM 515 CE1 TYR A 31 38.597 23.674 23.630 1.00 0.12 C ATOM 516 CE2 TYR A 31 36.218 23.749 24.096 1.00 0.11 C ATOM 517 CZ TYR A 31 37.510 23.334 24.444 1.00 0.12 C ATOM 518 OH TYR A 31 37.711 22.592 25.591 1.00 0.14 O ATOM 0 H TYR A 31 35.883 26.447 18.717 1.00 0.09 H new ATOM 0 HA TYR A 31 37.785 24.334 19.429 1.00 0.09 H new ATOM 0 HB2 TYR A 31 37.692 26.380 20.749 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.959 26.238 20.964 1.00 0.09 H new ATOM 0 HD1 TYR A 31 39.232 24.691 21.840 1.00 0.11 H new ATOM 0 HD2 TYR A 31 35.020 24.821 22.666 1.00 0.10 H new ATOM 0 HE1 TYR A 31 39.593 23.355 23.899 1.00 0.12 H new ATOM 0 HE2 TYR A 31 35.379 23.489 24.724 1.00 0.11 H new ATOM 0 HH TYR A 31 36.852 22.445 26.040 1.00 0.14 H new ATOM 528 N VAL A 32 34.535 23.941 19.892 1.00 0.09 N ATOM 529 CA VAL A 32 33.502 22.892 20.119 1.00 0.09 C ATOM 530 C VAL A 32 33.502 21.921 18.936 1.00 0.09 C ATOM 531 O VAL A 32 33.588 20.722 19.103 1.00 0.12 O ATOM 532 CB VAL A 32 32.127 23.554 20.236 1.00 0.09 C ATOM 533 CG1 VAL A 32 31.055 22.480 20.446 1.00 0.09 C ATOM 534 CG2 VAL A 32 32.122 24.527 21.422 1.00 0.12 C ATOM 0 H VAL A 32 34.171 24.884 19.755 1.00 0.09 H new ATOM 0 HA VAL A 32 33.724 22.349 21.037 1.00 0.09 H new ATOM 0 HB VAL A 32 31.912 24.103 19.319 1.00 0.09 H new ATOM 0 HG11 VAL A 32 30.077 22.954 20.529 1.00 0.09 H new ATOM 0 HG12 VAL A 32 31.056 21.795 19.598 1.00 0.09 H new ATOM 0 HG13 VAL A 32 31.269 21.926 21.360 1.00 0.09 H new ATOM 0 HG21 VAL A 32 31.142 24.997 21.503 1.00 0.12 H new ATOM 0 HG22 VAL A 32 32.340 23.982 22.341 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.880 25.294 21.266 1.00 0.12 H new ATOM 544 N ILE A 33 33.409 22.432 17.739 1.00 0.09 N ATOM 545 CA ILE A 33 33.407 21.544 16.545 1.00 0.09 C ATOM 546 C ILE A 33 34.551 20.522 16.670 1.00 0.10 C ATOM 547 O ILE A 33 34.328 19.328 16.631 1.00 0.11 O ATOM 548 CB ILE A 33 33.564 22.425 15.299 1.00 0.09 C ATOM 549 CG1 ILE A 33 32.414 23.448 15.301 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.502 21.573 14.026 1.00 0.10 C ATOM 551 CD1 ILE A 33 32.435 24.312 14.034 1.00 0.09 C ATOM 0 H ILE A 33 33.334 23.429 17.537 1.00 0.09 H new ATOM 0 HA ILE A 33 32.474 20.986 16.466 1.00 0.09 H new ATOM 0 HB ILE A 33 34.530 22.930 15.317 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.460 22.926 15.372 1.00 0.10 H new ATOM 0 HG13 ILE A 33 32.494 24.087 16.181 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.615 22.215 13.153 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.305 20.837 14.042 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.541 21.061 13.978 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.611 25.024 14.066 1.00 0.09 H new ATOM 0 HD12 ILE A 33 33.380 24.853 13.978 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.330 23.674 13.157 1.00 0.09 H new ATOM 563 N LEU A 34 35.765 20.973 16.835 1.00 0.10 N ATOM 564 CA LEU A 34 36.906 20.018 16.982 1.00 0.11 C ATOM 565 C LEU A 34 36.688 19.164 18.245 1.00 0.13 C ATOM 566 O LEU A 34 37.179 18.058 18.343 1.00 0.20 O ATOM 567 CB LEU A 34 38.220 20.839 17.109 1.00 0.09 C ATOM 568 CG LEU A 34 39.068 20.910 15.788 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.236 20.678 14.511 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.724 22.294 15.700 1.00 0.10 C ATOM 0 H LEU A 34 36.018 21.960 16.875 1.00 0.10 H new ATOM 0 HA LEU A 34 36.970 19.358 16.117 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.972 21.853 17.423 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.833 20.402 17.897 1.00 0.09 H new ATOM 0 HG LEU A 34 39.806 20.110 15.839 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.885 20.741 13.637 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.776 19.691 14.551 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.458 21.438 14.441 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.317 22.358 14.787 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.951 23.063 15.686 1.00 0.10 H new ATOM 0 HD23 LEU A 34 40.371 22.446 16.564 1.00 0.10 H new ATOM 582 N LYS A 35 35.964 19.659 19.209 1.00 0.12 N ATOM 583 CA LYS A 35 35.739 18.855 20.446 1.00 0.15 C ATOM 584 C LYS A 35 34.892 17.623 20.116 1.00 0.21 C ATOM 585 O LYS A 35 35.097 16.555 20.657 1.00 0.29 O ATOM 586 CB LYS A 35 35.011 19.709 21.489 1.00 0.13 C ATOM 587 CG LYS A 35 35.121 19.043 22.863 1.00 0.17 C ATOM 588 CD LYS A 35 34.111 19.676 23.822 1.00 0.26 C ATOM 589 CE LYS A 35 34.133 18.926 25.154 1.00 0.80 C ATOM 590 NZ LYS A 35 35.460 19.110 25.806 1.00 1.49 N ATOM 0 H LYS A 35 35.521 20.578 19.197 1.00 0.12 H new ATOM 0 HA LYS A 35 36.702 18.535 20.845 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.444 20.709 21.522 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.963 19.825 21.212 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.934 17.973 22.776 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.132 19.159 23.255 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.353 20.727 23.980 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.111 19.641 23.389 1.00 0.26 H new ATOM 0 HE2 LYS A 35 33.341 19.297 25.805 1.00 0.80 H new ATOM 0 HE3 LYS A 35 33.940 17.866 24.990 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 35.399 18.826 26.805 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 36.169 18.523 25.322 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 35.740 20.110 25.747 1.00 1.49 H new ATOM 604 N ASP A 36 33.936 17.765 19.239 1.00 0.24 N ATOM 605 CA ASP A 36 33.067 16.605 18.880 1.00 0.32 C ATOM 606 C ASP A 36 33.712 15.795 17.753 1.00 0.26 C ATOM 607 O ASP A 36 33.636 14.583 17.725 1.00 0.36 O ATOM 608 CB ASP A 36 31.708 17.125 18.413 1.00 0.42 C ATOM 609 CG ASP A 36 30.979 17.775 19.590 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.470 17.043 20.424 1.00 1.42 O ATOM 611 OD2 ASP A 36 30.941 18.993 19.639 1.00 1.56 O ATOM 0 H ASP A 36 33.718 18.635 18.754 1.00 0.24 H new ATOM 0 HA ASP A 36 32.943 15.965 19.753 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.840 17.849 17.609 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.112 16.306 18.010 1.00 0.42 H new ATOM 616 N ALA A 37 34.330 16.457 16.817 1.00 0.18 N ATOM 617 CA ALA A 37 34.964 15.734 15.680 1.00 0.17 C ATOM 618 C ALA A 37 36.295 15.123 16.113 1.00 0.16 C ATOM 619 O ALA A 37 37.219 15.024 15.330 1.00 0.21 O ATOM 620 CB ALA A 37 35.219 16.726 14.548 1.00 0.19 C ATOM 0 H ALA A 37 34.424 17.472 16.790 1.00 0.18 H new ATOM 0 HA ALA A 37 34.299 14.936 15.349 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.684 16.209 13.709 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.273 17.163 14.227 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.883 17.516 14.899 1.00 0.19 H new ATOM 626 N ASP A 38 36.418 14.722 17.341 1.00 0.18 N ATOM 627 CA ASP A 38 37.709 14.136 17.783 1.00 0.20 C ATOM 628 C ASP A 38 38.824 15.134 17.462 1.00 0.18 C ATOM 629 O ASP A 38 39.994 14.806 17.451 1.00 0.22 O ATOM 630 CB ASP A 38 37.946 12.817 17.033 1.00 0.25 C ATOM 631 CG ASP A 38 38.896 11.923 17.836 1.00 1.00 C ATOM 632 OD1 ASP A 38 39.479 12.415 18.787 1.00 1.82 O ATOM 633 OD2 ASP A 38 39.022 10.761 17.484 1.00 1.65 O ATOM 0 H ASP A 38 35.690 14.773 18.053 1.00 0.18 H new ATOM 0 HA ASP A 38 37.694 13.934 18.854 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.998 12.304 16.874 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.368 13.019 16.049 1.00 0.25 H new ATOM 638 N ALA A 39 38.447 16.354 17.198 1.00 0.14 N ATOM 639 CA ALA A 39 39.435 17.412 16.868 1.00 0.14 C ATOM 640 C ALA A 39 40.111 17.108 15.529 1.00 0.14 C ATOM 641 O ALA A 39 41.113 17.701 15.181 1.00 0.16 O ATOM 642 CB ALA A 39 40.482 17.510 17.975 1.00 0.16 C ATOM 0 H ALA A 39 37.476 16.666 17.198 1.00 0.14 H new ATOM 0 HA ALA A 39 38.915 18.366 16.786 1.00 0.14 H new ATOM 0 HB1 ALA A 39 41.203 18.288 17.726 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.993 17.757 18.917 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.998 16.555 18.073 1.00 0.16 H new ATOM 648 N ASN A 40 39.565 16.198 14.771 1.00 0.14 N ATOM 649 CA ASN A 40 40.170 15.867 13.448 1.00 0.16 C ATOM 650 C ASN A 40 39.647 16.860 12.406 1.00 0.14 C ATOM 651 O ASN A 40 38.558 16.714 11.886 1.00 0.15 O ATOM 652 CB ASN A 40 39.776 14.438 13.060 1.00 0.20 C ATOM 653 CG ASN A 40 40.771 13.876 12.041 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.913 13.618 12.366 1.00 1.77 O ATOM 655 ND2 ASN A 40 40.381 13.675 10.813 1.00 1.19 N ATOM 0 H ASN A 40 38.726 15.669 15.009 1.00 0.14 H new ATOM 0 HA ASN A 40 41.257 15.934 13.499 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.755 13.805 13.947 1.00 0.20 H new ATOM 0 HB3 ASN A 40 38.770 14.431 12.640 1.00 0.20 H new ATOM 0 HD21 ASN A 40 41.035 13.301 10.125 1.00 1.19 H new ATOM 0 HD22 ASN A 40 39.422 13.892 10.540 1.00 1.19 H new ATOM 662 N ILE A 41 40.407 17.877 12.112 1.00 0.13 N ATOM 663 CA ILE A 41 39.949 18.890 11.121 1.00 0.12 C ATOM 664 C ILE A 41 39.398 18.197 9.870 1.00 0.13 C ATOM 665 O ILE A 41 38.340 18.540 9.382 1.00 0.14 O ATOM 666 CB ILE A 41 41.122 19.817 10.767 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.361 20.756 11.962 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.793 20.628 9.496 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.571 21.654 11.712 1.00 0.16 C ATOM 0 H ILE A 41 41.327 18.051 12.516 1.00 0.13 H new ATOM 0 HA ILE A 41 39.145 19.487 11.552 1.00 0.12 H new ATOM 0 HB ILE A 41 42.021 19.234 10.566 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.476 21.369 12.131 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.519 20.168 12.866 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.631 21.282 9.254 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.614 19.946 8.665 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.901 21.231 9.669 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.721 22.309 12.570 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.458 21.037 11.567 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.399 22.257 10.820 1.00 0.16 H new ATOM 681 N GLU A 42 40.092 17.228 9.345 1.00 0.15 N ATOM 682 CA GLU A 42 39.577 16.536 8.134 1.00 0.16 C ATOM 683 C GLU A 42 38.149 16.062 8.402 1.00 0.16 C ATOM 684 O GLU A 42 37.342 15.961 7.504 1.00 0.19 O ATOM 685 CB GLU A 42 40.469 15.339 7.799 1.00 0.19 C ATOM 686 CG GLU A 42 41.787 15.835 7.201 1.00 0.26 C ATOM 687 CD GLU A 42 42.669 14.637 6.847 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.229 13.816 6.059 1.00 1.80 O ATOM 689 OE2 GLU A 42 43.768 14.560 7.370 1.00 1.67 O ATOM 0 H GLU A 42 40.986 16.888 9.699 1.00 0.15 H new ATOM 0 HA GLU A 42 39.582 17.224 7.288 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.663 14.754 8.698 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.962 14.681 7.093 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.592 16.433 6.310 1.00 0.26 H new ATOM 0 HG3 GLU A 42 42.301 16.481 7.913 1.00 0.26 H new ATOM 696 N GLU A 43 37.824 15.779 9.635 1.00 0.15 N ATOM 697 CA GLU A 43 36.437 15.333 9.957 1.00 0.16 C ATOM 698 C GLU A 43 35.573 16.564 10.241 1.00 0.15 C ATOM 699 O GLU A 43 34.488 16.705 9.718 1.00 0.21 O ATOM 700 CB GLU A 43 36.452 14.423 11.186 1.00 0.18 C ATOM 701 CG GLU A 43 35.106 13.706 11.308 1.00 0.33 C ATOM 702 CD GLU A 43 35.015 12.609 10.246 1.00 1.21 C ATOM 703 OE1 GLU A 43 35.964 12.459 9.494 1.00 1.95 O ATOM 704 OE2 GLU A 43 33.997 11.937 10.202 1.00 1.84 O ATOM 0 H GLU A 43 38.458 15.837 10.432 1.00 0.15 H new ATOM 0 HA GLU A 43 36.028 14.778 9.113 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.258 13.694 11.102 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.646 15.010 12.084 1.00 0.18 H new ATOM 0 HG2 GLU A 43 35.001 13.273 12.303 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.290 14.418 11.182 1.00 0.33 H new ATOM 711 N ALA A 44 36.046 17.459 11.072 1.00 0.13 N ATOM 712 CA ALA A 44 35.241 18.681 11.388 1.00 0.14 C ATOM 713 C ALA A 44 35.045 19.523 10.123 1.00 0.16 C ATOM 714 O ALA A 44 33.956 19.978 9.833 1.00 0.20 O ATOM 715 CB ALA A 44 35.959 19.526 12.452 1.00 0.14 C ATOM 0 H ALA A 44 36.949 17.398 11.543 1.00 0.13 H new ATOM 0 HA ALA A 44 34.269 18.367 11.769 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.365 20.412 12.674 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.086 18.937 13.360 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.937 19.829 12.077 1.00 0.14 H new ATOM 721 N SER A 45 36.088 19.747 9.375 1.00 0.16 N ATOM 722 CA SER A 45 35.955 20.575 8.143 1.00 0.21 C ATOM 723 C SER A 45 34.873 19.986 7.236 1.00 0.20 C ATOM 724 O SER A 45 34.298 20.672 6.414 1.00 0.32 O ATOM 725 CB SER A 45 37.288 20.603 7.402 1.00 0.26 C ATOM 726 OG SER A 45 37.101 21.187 6.119 1.00 1.01 O ATOM 0 H SER A 45 37.026 19.393 9.562 1.00 0.16 H new ATOM 0 HA SER A 45 35.673 21.591 8.421 1.00 0.21 H new ATOM 0 HB2 SER A 45 38.021 21.175 7.971 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.682 19.592 7.300 1.00 0.26 H new ATOM 0 HG SER A 45 37.925 21.640 5.843 1.00 1.01 H new ATOM 732 N ARG A 46 34.592 18.721 7.375 1.00 0.18 N ATOM 733 CA ARG A 46 33.551 18.088 6.517 1.00 0.20 C ATOM 734 C ARG A 46 32.163 18.441 7.076 1.00 0.16 C ATOM 735 O ARG A 46 31.176 18.420 6.367 1.00 0.22 O ATOM 736 CB ARG A 46 33.755 16.557 6.517 1.00 0.23 C ATOM 737 CG ARG A 46 34.635 16.120 5.330 1.00 0.85 C ATOM 738 CD ARG A 46 35.904 16.991 5.228 1.00 1.14 C ATOM 739 NE ARG A 46 35.665 18.086 4.246 1.00 1.59 N ATOM 740 CZ ARG A 46 36.502 19.084 4.167 1.00 2.17 C ATOM 741 NH1 ARG A 46 37.551 19.117 4.943 1.00 2.66 N ATOM 742 NH2 ARG A 46 36.295 20.045 3.309 1.00 2.87 N ATOM 0 H ARG A 46 35.039 18.097 8.047 1.00 0.18 H new ATOM 0 HA ARG A 46 33.630 18.455 5.494 1.00 0.20 H new ATOM 0 HB2 ARG A 46 34.220 16.248 7.453 1.00 0.23 H new ATOM 0 HB3 ARG A 46 32.788 16.057 6.461 1.00 0.23 H new ATOM 0 HG2 ARG A 46 34.917 15.074 5.448 1.00 0.85 H new ATOM 0 HG3 ARG A 46 34.065 16.194 4.404 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.153 17.408 6.204 1.00 1.14 H new ATOM 0 HD3 ARG A 46 36.753 16.384 4.915 1.00 1.14 H new ATOM 0 HE ARG A 46 34.848 18.055 3.636 1.00 1.59 H new ATOM 0 HH11 ARG A 46 37.716 18.363 5.610 1.00 2.66 H new ATOM 0 HH12 ARG A 46 38.206 19.897 4.882 1.00 2.66 H new ATOM 0 HH21 ARG A 46 35.478 20.017 2.699 1.00 2.87 H new ATOM 0 HH22 ARG A 46 36.950 20.824 3.248 1.00 2.87 H new ATOM 756 N ARG A 47 32.082 18.771 8.339 1.00 0.13 N ATOM 757 CA ARG A 47 30.760 19.130 8.934 1.00 0.13 C ATOM 758 C ARG A 47 30.427 20.579 8.577 1.00 0.11 C ATOM 759 O ARG A 47 29.408 20.867 7.980 1.00 0.13 O ATOM 760 CB ARG A 47 30.818 18.987 10.458 1.00 0.18 C ATOM 761 CG ARG A 47 31.462 17.649 10.829 1.00 0.49 C ATOM 762 CD ARG A 47 31.441 17.472 12.350 1.00 0.62 C ATOM 763 NE ARG A 47 31.706 16.044 12.685 1.00 0.81 N ATOM 764 CZ ARG A 47 32.016 15.704 13.906 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.100 16.616 14.836 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.242 14.452 14.197 1.00 1.63 N ATOM 0 H ARG A 47 32.872 18.807 8.983 1.00 0.13 H new ATOM 0 HA ARG A 47 29.994 18.463 8.539 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.391 19.808 10.888 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.813 19.046 10.876 1.00 0.18 H new ATOM 0 HG2 ARG A 47 30.925 16.830 10.350 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.488 17.614 10.463 1.00 0.49 H new ATOM 0 HD2 ARG A 47 32.193 18.111 12.812 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.474 17.778 12.750 1.00 0.62 H new ATOM 0 HE ARG A 47 31.645 15.331 11.958 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.923 17.594 14.608 1.00 1.99 H new ATOM 0 HH12 ARG A 47 32.342 16.350 15.790 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.176 13.740 13.470 1.00 1.63 H new ATOM 0 HH22 ARG A 47 32.484 14.186 15.151 1.00 1.63 H new ATOM 780 N ILE A 48 31.286 21.491 8.937 1.00 0.10 N ATOM 781 CA ILE A 48 31.038 22.929 8.623 1.00 0.10 C ATOM 782 C ILE A 48 30.612 23.064 7.164 1.00 0.11 C ATOM 783 O ILE A 48 29.555 23.581 6.863 1.00 0.13 O ATOM 784 CB ILE A 48 32.318 23.723 8.877 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.821 23.407 10.288 1.00 0.09 C ATOM 786 CG2 ILE A 48 32.018 25.218 8.766 1.00 0.11 C ATOM 787 CD1 ILE A 48 34.009 24.305 10.634 1.00 0.10 C ATOM 0 H ILE A 48 32.154 21.303 9.438 1.00 0.10 H new ATOM 0 HA ILE A 48 30.243 23.319 9.259 1.00 0.10 H new ATOM 0 HB ILE A 48 33.077 23.452 8.143 1.00 0.10 H new ATOM 0 HG12 ILE A 48 32.019 23.557 11.011 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.116 22.360 10.352 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.930 25.787 8.947 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.644 25.441 7.767 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.266 25.494 9.505 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.360 24.073 11.640 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.815 24.134 9.920 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.701 25.350 10.589 1.00 0.10 H new ATOM 799 N GLU A 49 31.416 22.590 6.255 1.00 0.11 N ATOM 800 CA GLU A 49 31.042 22.676 4.812 1.00 0.12 C ATOM 801 C GLU A 49 29.607 22.190 4.646 1.00 0.12 C ATOM 802 O GLU A 49 28.729 22.922 4.234 1.00 0.13 O ATOM 803 CB GLU A 49 31.953 21.760 4.003 1.00 0.13 C ATOM 804 CG GLU A 49 33.341 22.390 3.858 1.00 0.15 C ATOM 805 CD GLU A 49 34.152 21.605 2.825 1.00 0.17 C ATOM 806 OE1 GLU A 49 33.885 20.426 2.662 1.00 1.08 O ATOM 807 OE2 GLU A 49 35.026 22.198 2.213 1.00 1.09 O ATOM 0 H GLU A 49 32.315 22.147 6.446 1.00 0.11 H new ATOM 0 HA GLU A 49 31.140 23.706 4.468 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.035 20.790 4.494 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.521 21.583 3.018 1.00 0.13 H new ATOM 0 HG2 GLU A 49 33.249 23.431 3.549 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.856 22.387 4.819 1.00 0.15 H new ATOM 814 N GLU A 50 29.362 20.957 4.995 1.00 0.12 N ATOM 815 CA GLU A 50 27.983 20.417 4.891 1.00 0.13 C ATOM 816 C GLU A 50 27.064 21.371 5.636 1.00 0.12 C ATOM 817 O GLU A 50 25.876 21.417 5.414 1.00 0.12 O ATOM 818 CB GLU A 50 27.923 19.030 5.534 1.00 0.14 C ATOM 819 CG GLU A 50 26.518 18.449 5.367 1.00 0.17 C ATOM 820 CD GLU A 50 26.537 16.961 5.721 1.00 1.15 C ATOM 821 OE1 GLU A 50 27.494 16.533 6.346 1.00 1.74 O ATOM 822 OE2 GLU A 50 25.596 16.274 5.362 1.00 2.03 O ATOM 0 H GLU A 50 30.060 20.302 5.348 1.00 0.12 H new ATOM 0 HA GLU A 50 27.680 20.327 3.848 1.00 0.13 H new ATOM 0 HB2 GLU A 50 28.658 18.371 5.071 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.177 19.097 6.592 1.00 0.14 H new ATOM 0 HG2 GLU A 50 25.815 18.978 6.011 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.176 18.586 4.341 1.00 0.17 H new ATOM 829 N GLY A 51 27.630 22.150 6.514 1.00 0.11 N ATOM 830 CA GLY A 51 26.811 23.134 7.283 1.00 0.10 C ATOM 831 C GLY A 51 26.551 24.350 6.395 1.00 0.10 C ATOM 832 O GLY A 51 25.422 24.700 6.113 1.00 0.11 O ATOM 0 H GLY A 51 28.626 22.150 6.734 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.868 22.682 7.592 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.334 23.434 8.191 1.00 0.10 H new ATOM 836 N GLN A 52 27.597 24.984 5.935 1.00 0.10 N ATOM 837 CA GLN A 52 27.435 26.170 5.040 1.00 0.12 C ATOM 838 C GLN A 52 26.413 25.833 3.962 1.00 0.12 C ATOM 839 O GLN A 52 25.514 26.597 3.675 1.00 0.13 O ATOM 840 CB GLN A 52 28.782 26.489 4.390 1.00 0.14 C ATOM 841 CG GLN A 52 29.820 26.747 5.485 1.00 0.19 C ATOM 842 CD GLN A 52 29.561 28.111 6.119 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.790 28.898 5.606 1.00 0.95 O ATOM 844 NE2 GLN A 52 30.179 28.428 7.222 1.00 0.39 N ATOM 0 H GLN A 52 28.563 24.730 6.142 1.00 0.10 H new ATOM 0 HA GLN A 52 27.094 27.033 5.612 1.00 0.12 H new ATOM 0 HB2 GLN A 52 29.100 25.659 3.759 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.691 27.363 3.746 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.767 25.966 6.243 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.825 26.715 5.064 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.826 27.767 7.652 1.00 0.39 H new ATOM 0 HE22 GLN A 52 30.016 29.337 7.655 1.00 0.39 H new ATOM 853 N TYR A 53 26.544 24.683 3.375 1.00 0.12 N ATOM 854 CA TYR A 53 25.575 24.275 2.320 1.00 0.13 C ATOM 855 C TYR A 53 24.163 24.233 2.928 1.00 0.13 C ATOM 856 O TYR A 53 23.223 24.752 2.360 1.00 0.15 O ATOM 857 CB TYR A 53 25.970 22.895 1.756 1.00 0.14 C ATOM 858 CG TYR A 53 24.780 22.248 1.074 1.00 0.15 C ATOM 859 CD1 TYR A 53 23.821 21.593 1.848 1.00 0.16 C ATOM 860 CD2 TYR A 53 24.631 22.314 -0.316 1.00 0.17 C ATOM 861 CE1 TYR A 53 22.710 21.002 1.246 1.00 0.18 C ATOM 862 CE2 TYR A 53 23.517 21.722 -0.926 1.00 0.19 C ATOM 863 CZ TYR A 53 22.555 21.066 -0.144 1.00 0.19 C ATOM 864 OH TYR A 53 21.457 20.483 -0.744 1.00 0.22 O ATOM 0 H TYR A 53 27.279 24.005 3.577 1.00 0.12 H new ATOM 0 HA TYR A 53 25.588 24.994 1.501 1.00 0.13 H new ATOM 0 HB2 TYR A 53 26.790 23.005 1.046 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.330 22.254 2.561 1.00 0.14 H new ATOM 0 HD1 TYR A 53 23.940 21.543 2.920 1.00 0.16 H new ATOM 0 HD2 TYR A 53 25.372 22.820 -0.917 1.00 0.17 H new ATOM 0 HE1 TYR A 53 21.971 20.496 1.850 1.00 0.18 H new ATOM 0 HE2 TYR A 53 23.399 21.771 -1.998 1.00 0.19 H new ATOM 0 HH TYR A 53 21.503 20.620 -1.713 1.00 0.22 H new ATOM 874 N VAL A 54 24.001 23.621 4.073 1.00 0.15 N ATOM 875 CA VAL A 54 22.641 23.561 4.689 1.00 0.14 C ATOM 876 C VAL A 54 22.077 24.978 4.789 1.00 0.14 C ATOM 877 O VAL A 54 21.093 25.318 4.162 1.00 0.15 O ATOM 878 CB VAL A 54 22.709 22.958 6.105 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.304 23.006 6.721 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.211 21.487 6.071 1.00 0.14 C ATOM 0 H VAL A 54 24.743 23.165 4.604 1.00 0.15 H new ATOM 0 HA VAL A 54 22.004 22.934 4.066 1.00 0.14 H new ATOM 0 HB VAL A 54 23.413 23.537 6.702 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.332 22.583 7.725 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.965 24.041 6.773 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.616 22.429 6.103 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.247 21.091 7.086 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.530 20.884 5.471 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.208 21.453 5.632 1.00 0.14 H new ATOM 890 N VAL A 55 22.699 25.803 5.581 1.00 0.15 N ATOM 891 CA VAL A 55 22.219 27.203 5.746 1.00 0.16 C ATOM 892 C VAL A 55 22.095 27.865 4.371 1.00 0.19 C ATOM 893 O VAL A 55 21.052 28.369 4.003 1.00 0.22 O ATOM 894 CB VAL A 55 23.232 27.973 6.601 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.687 29.364 6.935 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.482 27.203 7.899 1.00 0.13 C ATOM 0 H VAL A 55 23.527 25.566 6.127 1.00 0.15 H new ATOM 0 HA VAL A 55 21.244 27.209 6.234 1.00 0.16 H new ATOM 0 HB VAL A 55 24.164 28.079 6.045 1.00 0.19 H new ATOM 0 HG11 VAL A 55 23.414 29.903 7.543 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.506 29.915 6.012 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.753 29.266 7.488 1.00 0.29 H new ATOM 0 HG21 VAL A 55 24.202 27.746 8.511 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.545 27.099 8.447 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.877 26.214 7.665 1.00 0.13 H new ATOM 906 N ASN A 56 23.157 27.875 3.616 1.00 0.22 N ATOM 907 CA ASN A 56 23.112 28.512 2.268 1.00 0.27 C ATOM 908 C ASN A 56 22.017 27.860 1.418 1.00 0.26 C ATOM 909 O ASN A 56 21.137 28.524 0.908 1.00 0.33 O ATOM 910 CB ASN A 56 24.466 28.334 1.577 1.00 0.35 C ATOM 911 CG ASN A 56 24.417 28.973 0.188 1.00 0.71 C ATOM 912 OD1 ASN A 56 23.886 30.053 0.021 1.00 1.56 O ATOM 913 ND2 ASN A 56 24.953 28.347 -0.825 1.00 0.90 N ATOM 0 H ASN A 56 24.057 27.469 3.873 1.00 0.22 H new ATOM 0 HA ASN A 56 22.893 29.574 2.380 1.00 0.27 H new ATOM 0 HB2 ASN A 56 25.254 28.794 2.173 1.00 0.35 H new ATOM 0 HB3 ASN A 56 24.707 27.274 1.493 1.00 0.35 H new ATOM 0 HD21 ASN A 56 24.926 28.765 -1.755 1.00 0.90 H new ATOM 0 HD22 ASN A 56 25.399 27.440 -0.686 1.00 0.90 H new ATOM 920 N GLU A 57 22.068 26.566 1.257 1.00 0.24 N ATOM 921 CA GLU A 57 21.034 25.874 0.433 1.00 0.26 C ATOM 922 C GLU A 57 19.651 26.084 1.053 1.00 0.25 C ATOM 923 O GLU A 57 18.705 26.436 0.377 1.00 0.32 O ATOM 924 CB GLU A 57 21.342 24.376 0.380 1.00 0.29 C ATOM 925 CG GLU A 57 20.493 23.721 -0.711 1.00 0.50 C ATOM 926 CD GLU A 57 21.036 24.112 -2.086 1.00 1.58 C ATOM 927 OE1 GLU A 57 22.211 23.885 -2.323 1.00 2.37 O ATOM 928 OE2 GLU A 57 20.268 24.632 -2.878 1.00 2.31 O ATOM 0 H GLU A 57 22.780 25.957 1.660 1.00 0.24 H new ATOM 0 HA GLU A 57 21.045 26.287 -0.576 1.00 0.26 H new ATOM 0 HB2 GLU A 57 22.401 24.218 0.176 1.00 0.29 H new ATOM 0 HB3 GLU A 57 21.131 23.916 1.345 1.00 0.29 H new ATOM 0 HG2 GLU A 57 20.509 22.637 -0.597 1.00 0.50 H new ATOM 0 HG3 GLU A 57 19.454 24.036 -0.616 1.00 0.50 H new ATOM 935 N TYR A 58 19.525 25.866 2.333 1.00 0.22 N ATOM 936 CA TYR A 58 18.202 26.047 2.998 1.00 0.26 C ATOM 937 C TYR A 58 17.583 27.376 2.559 1.00 0.32 C ATOM 938 O TYR A 58 16.431 27.445 2.182 1.00 0.46 O ATOM 939 CB TYR A 58 18.399 26.029 4.521 1.00 0.33 C ATOM 940 CG TYR A 58 17.152 26.540 5.217 1.00 0.77 C ATOM 941 CD1 TYR A 58 15.944 25.845 5.084 1.00 0.82 C ATOM 942 CD2 TYR A 58 17.206 27.708 5.988 1.00 1.98 C ATOM 943 CE1 TYR A 58 14.791 26.318 5.722 1.00 0.99 C ATOM 944 CE2 TYR A 58 16.053 28.180 6.626 1.00 2.44 C ATOM 945 CZ TYR A 58 14.845 27.486 6.493 1.00 1.71 C ATOM 946 OH TYR A 58 13.708 27.952 7.121 1.00 2.18 O ATOM 0 H TYR A 58 20.282 25.570 2.949 1.00 0.22 H new ATOM 0 HA TYR A 58 17.530 25.238 2.713 1.00 0.26 H new ATOM 0 HB2 TYR A 58 18.621 25.015 4.854 1.00 0.33 H new ATOM 0 HB3 TYR A 58 19.255 26.648 4.792 1.00 0.33 H new ATOM 0 HD1 TYR A 58 15.902 24.944 4.489 1.00 0.82 H new ATOM 0 HD2 TYR A 58 18.138 28.245 6.090 1.00 1.98 H new ATOM 0 HE1 TYR A 58 13.859 25.782 5.620 1.00 0.99 H new ATOM 0 HE2 TYR A 58 16.096 29.080 7.221 1.00 2.44 H new ATOM 0 HH TYR A 58 13.920 28.771 7.615 1.00 2.18 H new ATOM 956 N SER A 59 18.341 28.426 2.611 1.00 0.40 N ATOM 957 CA SER A 59 17.808 29.754 2.205 1.00 0.52 C ATOM 958 C SER A 59 17.246 29.672 0.783 1.00 0.55 C ATOM 959 O SER A 59 16.098 29.979 0.541 1.00 0.70 O ATOM 960 CB SER A 59 18.935 30.787 2.253 1.00 0.61 C ATOM 961 OG SER A 59 19.711 30.580 3.426 1.00 1.22 O ATOM 0 H SER A 59 19.313 28.426 2.919 1.00 0.40 H new ATOM 0 HA SER A 59 17.012 30.050 2.888 1.00 0.52 H new ATOM 0 HB2 SER A 59 19.563 30.698 1.367 1.00 0.61 H new ATOM 0 HB3 SER A 59 18.520 31.795 2.250 1.00 0.61 H new ATOM 0 HG SER A 59 20.378 29.882 3.258 1.00 1.22 H new ATOM 967 N ARG A 60 18.050 29.265 -0.159 1.00 0.55 N ATOM 968 CA ARG A 60 17.568 29.169 -1.566 1.00 0.68 C ATOM 969 C ARG A 60 16.242 28.402 -1.615 1.00 0.68 C ATOM 970 O ARG A 60 15.369 28.707 -2.403 1.00 0.81 O ATOM 971 CB ARG A 60 18.619 28.434 -2.411 1.00 0.80 C ATOM 972 CG ARG A 60 19.796 29.376 -2.735 1.00 1.08 C ATOM 973 CD ARG A 60 19.504 30.167 -4.017 1.00 1.52 C ATOM 974 NE ARG A 60 20.585 31.167 -4.239 1.00 2.16 N ATOM 975 CZ ARG A 60 20.713 31.741 -5.403 1.00 2.72 C ATOM 976 NH1 ARG A 60 19.889 31.447 -6.371 1.00 2.84 N ATOM 977 NH2 ARG A 60 21.666 32.611 -5.599 1.00 3.69 N ATOM 0 H ARG A 60 19.023 28.994 -0.015 1.00 0.55 H new ATOM 0 HA ARG A 60 17.412 30.172 -1.963 1.00 0.68 H new ATOM 0 HB2 ARG A 60 18.982 27.559 -1.872 1.00 0.80 H new ATOM 0 HB3 ARG A 60 18.166 28.074 -3.335 1.00 0.80 H new ATOM 0 HG2 ARG A 60 19.961 30.063 -1.905 1.00 1.08 H new ATOM 0 HG3 ARG A 60 20.712 28.797 -2.857 1.00 1.08 H new ATOM 0 HD2 ARG A 60 19.440 29.490 -4.869 1.00 1.52 H new ATOM 0 HD3 ARG A 60 18.540 30.669 -3.936 1.00 1.52 H new ATOM 0 HE ARG A 60 21.225 31.403 -3.481 1.00 2.16 H new ATOM 0 HH11 ARG A 60 19.144 30.768 -6.218 1.00 2.84 H new ATOM 0 HH12 ARG A 60 19.990 31.897 -7.281 1.00 2.84 H new ATOM 0 HH21 ARG A 60 22.310 32.841 -4.842 1.00 3.69 H new ATOM 0 HH22 ARG A 60 21.767 33.060 -6.509 1.00 3.69 H new ATOM 991 N GLN A 61 16.086 27.403 -0.790 1.00 0.65 N ATOM 992 CA GLN A 61 14.818 26.615 -0.805 1.00 0.75 C ATOM 993 C GLN A 61 13.616 27.550 -0.642 1.00 0.82 C ATOM 994 O GLN A 61 12.661 27.479 -1.391 1.00 0.98 O ATOM 995 CB GLN A 61 14.832 25.601 0.341 1.00 0.78 C ATOM 996 CG GLN A 61 13.696 24.594 0.146 1.00 1.35 C ATOM 997 CD GLN A 61 13.710 23.580 1.292 1.00 1.81 C ATOM 998 OE1 GLN A 61 14.256 23.843 2.345 1.00 2.46 O ATOM 999 NE2 GLN A 61 13.127 22.423 1.131 1.00 2.39 N ATOM 0 H GLN A 61 16.779 27.098 -0.107 1.00 0.65 H new ATOM 0 HA GLN A 61 14.737 26.091 -1.758 1.00 0.75 H new ATOM 0 HB2 GLN A 61 15.790 25.083 0.370 1.00 0.78 H new ATOM 0 HB3 GLN A 61 14.718 26.114 1.296 1.00 0.78 H new ATOM 0 HG2 GLN A 61 12.738 25.112 0.117 1.00 1.35 H new ATOM 0 HG3 GLN A 61 13.810 24.081 -0.809 1.00 1.35 H new ATOM 0 HE21 GLN A 61 12.668 22.202 0.247 1.00 2.39 H new ATOM 0 HE22 GLN A 61 13.130 21.741 1.889 1.00 2.39 H new ATOM 1008 N HIS A 62 13.649 28.422 0.334 1.00 0.86 N ATOM 1009 CA HIS A 62 12.503 29.360 0.553 1.00 1.04 C ATOM 1010 C HIS A 62 12.832 30.729 -0.049 1.00 1.08 C ATOM 1011 O HIS A 62 11.982 31.388 -0.615 1.00 1.27 O ATOM 1012 CB HIS A 62 12.256 29.511 2.059 1.00 1.15 C ATOM 1013 CG HIS A 62 11.567 28.279 2.584 1.00 1.32 C ATOM 1014 ND1 HIS A 62 12.270 27.205 3.114 1.00 1.81 N ATOM 1015 CD2 HIS A 62 10.239 27.935 2.665 1.00 1.57 C ATOM 1016 CE1 HIS A 62 11.370 26.274 3.486 1.00 1.95 C ATOM 1017 NE2 HIS A 62 10.123 26.672 3.233 1.00 1.81 N ATOM 0 H HIS A 62 14.422 28.526 0.991 1.00 0.86 H new ATOM 0 HA HIS A 62 11.610 28.961 0.071 1.00 1.04 H new ATOM 0 HB2 HIS A 62 13.202 29.661 2.580 1.00 1.15 H new ATOM 0 HB3 HIS A 62 11.644 30.392 2.251 1.00 1.15 H new ATOM 0 HD2 HIS A 62 9.414 28.550 2.338 1.00 1.57 H new ATOM 0 HE1 HIS A 62 11.626 25.325 3.933 1.00 1.95 H new ATOM 0 HE2 HIS A 62 9.262 26.157 3.418 1.00 1.81 H new ATOM 1025 N ASN A 63 14.056 31.165 0.070 1.00 1.07 N ATOM 1026 CA ASN A 63 14.431 32.493 -0.494 1.00 1.28 C ATOM 1027 C ASN A 63 13.468 33.556 0.038 1.00 1.39 C ATOM 1028 O ASN A 63 12.503 33.914 -0.608 1.00 1.84 O ATOM 1029 CB ASN A 63 14.346 32.444 -2.021 1.00 1.47 C ATOM 1030 CG ASN A 63 14.996 33.697 -2.610 1.00 1.99 C ATOM 1031 OD1 ASN A 63 14.317 34.647 -2.947 1.00 2.62 O ATOM 1032 ND2 ASN A 63 16.293 33.740 -2.751 1.00 2.68 N ATOM 0 H ASN A 63 14.812 30.660 0.533 1.00 1.07 H new ATOM 0 HA ASN A 63 15.450 32.741 -0.198 1.00 1.28 H new ATOM 0 HB2 ASN A 63 14.848 31.551 -2.395 1.00 1.47 H new ATOM 0 HB3 ASN A 63 13.304 32.380 -2.336 1.00 1.47 H new ATOM 0 HD21 ASN A 63 16.736 34.571 -3.144 1.00 2.68 H new ATOM 0 HD22 ASN A 63 16.863 32.943 -2.468 1.00 2.68 H new ATOM 1039 N LEU A 64 13.721 34.061 1.214 1.00 1.34 N ATOM 1040 CA LEU A 64 12.819 35.097 1.791 1.00 1.51 C ATOM 1041 C LEU A 64 12.912 36.377 0.955 1.00 1.81 C ATOM 1042 O LEU A 64 12.486 36.419 -0.182 1.00 2.42 O ATOM 1043 CB LEU A 64 13.240 35.391 3.239 1.00 1.61 C ATOM 1044 CG LEU A 64 12.749 34.275 4.180 1.00 1.76 C ATOM 1045 CD1 LEU A 64 11.216 34.326 4.340 1.00 1.87 C ATOM 1046 CD2 LEU A 64 13.168 32.911 3.618 1.00 2.54 C ATOM 0 H LEU A 64 14.514 33.801 1.801 1.00 1.34 H new ATOM 0 HA LEU A 64 11.791 34.734 1.781 1.00 1.51 H new ATOM 0 HB2 LEU A 64 14.325 35.474 3.299 1.00 1.61 H new ATOM 0 HB3 LEU A 64 12.829 36.349 3.556 1.00 1.61 H new ATOM 0 HG LEU A 64 13.200 34.423 5.161 1.00 1.76 H new ATOM 0 HD11 LEU A 64 10.893 33.528 5.009 1.00 1.87 H new ATOM 0 HD12 LEU A 64 10.926 35.290 4.758 1.00 1.87 H new ATOM 0 HD13 LEU A 64 10.744 34.196 3.366 1.00 1.87 H new ATOM 0 HD21 LEU A 64 12.821 32.121 4.284 1.00 2.54 H new ATOM 0 HD22 LEU A 64 12.727 32.773 2.631 1.00 2.54 H new ATOM 0 HD23 LEU A 64 14.254 32.868 3.540 1.00 2.54 H new ATOM 1058 N ASN A 65 13.463 37.422 1.511 1.00 2.02 N ATOM 1059 CA ASN A 65 13.578 38.697 0.751 1.00 2.49 C ATOM 1060 C ASN A 65 14.561 39.627 1.467 1.00 3.04 C ATOM 1061 O ASN A 65 14.810 39.485 2.648 1.00 3.62 O ATOM 1062 CB ASN A 65 12.205 39.367 0.675 1.00 3.04 C ATOM 1063 CG ASN A 65 12.275 40.570 -0.265 1.00 3.59 C ATOM 1064 OD1 ASN A 65 12.429 41.692 0.175 1.00 4.09 O ATOM 1065 ND2 ASN A 65 12.167 40.383 -1.552 1.00 4.13 N ATOM 0 H ASN A 65 13.838 37.447 2.459 1.00 2.02 H new ATOM 0 HA ASN A 65 13.939 38.492 -0.257 1.00 2.49 H new ATOM 0 HB2 ASN A 65 11.461 38.655 0.317 1.00 3.04 H new ATOM 0 HB3 ASN A 65 11.889 39.686 1.668 1.00 3.04 H new ATOM 0 HD21 ASN A 65 12.212 41.179 -2.189 1.00 4.13 H new ATOM 0 HD22 ASN A 65 12.038 39.441 -1.921 1.00 4.13 H new ATOM 1072 N ILE A 66 15.118 40.581 0.760 1.00 0.00 N ATOM 1073 CA ILE A 66 16.088 41.537 1.386 1.00 0.00 C ATOM 1074 C ILE A 66 15.681 42.969 1.021 1.00 0.00 C ATOM 1075 O ILE A 66 16.412 43.911 1.251 1.00 0.00 O ATOM 1076 CB ILE A 66 17.509 41.252 0.867 1.00 0.00 C ATOM 1077 CG1 ILE A 66 17.733 39.731 0.786 1.00 0.00 C ATOM 1078 CG2 ILE A 66 18.543 41.860 1.824 1.00 0.00 C ATOM 1079 CD1 ILE A 66 17.017 39.121 -0.436 1.00 0.00 C ATOM 0 H ILE A 66 14.941 40.740 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 66 16.077 41.416 2.469 1.00 0.00 H new ATOM 0 HB ILE A 66 17.622 41.695 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 66 18.801 39.522 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 66 17.367 39.259 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 66 19.547 41.656 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 66 18.392 42.938 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 66 18.426 41.419 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.196 38.046 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 66 15.946 39.309 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 66 17.403 39.576 -1.348 1.00 0.00 H new ATOM 1091 N TYR A 67 14.516 43.136 0.453 1.00 0.00 N ATOM 1092 CA TYR A 67 14.052 44.501 0.070 1.00 0.00 C ATOM 1093 C TYR A 67 15.038 45.122 -0.924 1.00 0.00 C ATOM 1094 O TYR A 67 14.788 45.168 -2.111 1.00 0.00 O ATOM 1095 CB TYR A 67 13.951 45.383 1.319 1.00 0.00 C ATOM 1096 CG TYR A 67 13.309 44.599 2.438 1.00 0.00 C ATOM 1097 CD1 TYR A 67 11.915 44.494 2.509 1.00 0.00 C ATOM 1098 CD2 TYR A 67 14.108 43.978 3.405 1.00 0.00 C ATOM 1099 CE1 TYR A 67 11.320 43.768 3.546 1.00 0.00 C ATOM 1100 CE2 TYR A 67 13.513 43.251 4.443 1.00 0.00 C ATOM 1101 CZ TYR A 67 12.118 43.146 4.513 1.00 0.00 C ATOM 1102 OH TYR A 67 11.532 42.430 5.536 1.00 0.00 O ATOM 0 H TYR A 67 13.863 42.382 0.237 1.00 0.00 H new ATOM 0 HA TYR A 67 13.070 44.428 -0.397 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.943 45.721 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.363 46.274 1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.299 44.974 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.184 44.060 3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.244 43.687 3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.129 42.771 5.189 1.00 0.00 H new ATOM 0 HH TYR A 67 12.229 42.062 6.119 1.00 0.00 H new ATOM 1112 N ASP A 68 16.157 45.601 -0.450 1.00 0.00 N ATOM 1113 CA ASP A 68 17.153 46.216 -1.371 1.00 0.00 C ATOM 1114 C ASP A 68 16.462 47.271 -2.238 1.00 0.00 C ATOM 1115 O ASP A 68 16.679 47.347 -3.431 1.00 0.00 O ATOM 1116 CB ASP A 68 17.757 45.133 -2.268 1.00 0.00 C ATOM 1117 CG ASP A 68 18.401 44.050 -1.400 1.00 0.00 C ATOM 1118 OD1 ASP A 68 18.679 44.331 -0.246 1.00 0.00 O ATOM 1119 OD2 ASP A 68 18.605 42.959 -1.905 1.00 0.00 O ATOM 0 H ASP A 68 16.423 45.592 0.535 1.00 0.00 H new ATOM 0 HA ASP A 68 17.945 46.687 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.983 44.696 -2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.501 45.571 -2.933 1.00 0.00 H new ATOM 1124 N GLY A 69 15.631 48.087 -1.648 1.00 0.00 N ATOM 1125 CA GLY A 69 14.926 49.138 -2.437 1.00 0.00 C ATOM 1126 C GLY A 69 13.700 48.529 -3.120 1.00 0.00 C ATOM 1127 O GLY A 69 12.589 48.991 -2.949 1.00 0.00 O ATOM 0 H GLY A 69 15.410 48.071 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.622 49.956 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.599 49.560 -3.183 1.00 0.00 H new ATOM 1131 N GLY A 70 13.892 47.493 -3.892 1.00 0.00 N ATOM 1132 CA GLY A 70 12.737 46.853 -4.586 1.00 0.00 C ATOM 1133 C GLY A 70 13.235 46.099 -5.821 1.00 0.00 C ATOM 1134 O GLY A 70 13.829 46.673 -6.712 1.00 0.00 O ATOM 0 H GLY A 70 14.799 47.062 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.228 46.167 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.010 47.611 -4.878 1.00 0.00 H new ATOM 1138 N GLU A 71 12.995 44.818 -5.881 1.00 0.00 N ATOM 1139 CA GLU A 71 13.452 44.025 -7.056 1.00 0.00 C ATOM 1140 C GLU A 71 14.955 44.235 -7.268 1.00 0.00 C ATOM 1141 O GLU A 71 15.767 43.473 -6.786 1.00 0.00 O ATOM 1142 CB GLU A 71 12.681 44.469 -8.301 1.00 0.00 C ATOM 1143 CG GLU A 71 13.027 43.542 -9.465 1.00 0.00 C ATOM 1144 CD GLU A 71 12.237 43.960 -10.707 1.00 0.00 C ATOM 1145 OE1 GLU A 71 12.474 45.053 -11.195 1.00 0.00 O ATOM 1146 OE2 GLU A 71 11.409 43.180 -11.148 1.00 0.00 O ATOM 0 H GLU A 71 12.501 44.285 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 71 13.264 42.966 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.609 44.444 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.935 45.499 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.097 43.584 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.793 42.510 -9.203 1.00 0.00 H new ATOM 1153 N LEU A 72 15.334 45.265 -7.979 1.00 0.00 N ATOM 1154 CA LEU A 72 16.781 45.522 -8.214 1.00 0.00 C ATOM 1155 C LEU A 72 17.441 44.268 -8.804 1.00 0.00 C ATOM 1156 O LEU A 72 17.709 43.309 -8.107 1.00 0.00 O ATOM 1157 CB LEU A 72 17.448 45.897 -6.878 1.00 0.00 C ATOM 1158 CG LEU A 72 18.635 46.830 -7.130 1.00 0.00 C ATOM 1159 CD1 LEU A 72 19.262 47.232 -5.793 1.00 0.00 C ATOM 1160 CD2 LEU A 72 19.678 46.109 -7.990 1.00 0.00 C ATOM 0 H LEU A 72 14.700 45.940 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 72 16.901 46.344 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.724 46.384 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.785 44.996 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 72 18.291 47.723 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.107 47.896 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.519 47.746 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.606 46.340 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 72 20.523 46.773 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 72 20.023 45.215 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.231 45.825 -8.943 1.00 0.00 H new ATOM 1172 N ARG A 73 17.707 44.270 -10.083 1.00 0.00 N ATOM 1173 CA ARG A 73 18.349 43.081 -10.716 1.00 0.00 C ATOM 1174 C ARG A 73 19.534 42.621 -9.863 1.00 0.00 C ATOM 1175 O ARG A 73 19.476 41.605 -9.201 1.00 0.00 O ATOM 1176 CB ARG A 73 18.844 43.455 -12.122 1.00 0.00 C ATOM 1177 CG ARG A 73 17.668 43.973 -12.994 1.00 0.00 C ATOM 1178 CD ARG A 73 17.205 42.890 -13.981 1.00 0.00 C ATOM 1179 NE ARG A 73 16.910 41.627 -13.246 1.00 0.00 N ATOM 1180 CZ ARG A 73 16.211 40.687 -13.821 1.00 0.00 C ATOM 1181 NH1 ARG A 73 15.770 40.854 -15.038 1.00 0.00 N ATOM 1182 NH2 ARG A 73 15.954 39.581 -13.179 1.00 0.00 N ATOM 0 H ARG A 73 17.507 45.044 -10.717 1.00 0.00 H new ATOM 0 HA ARG A 73 17.621 42.273 -10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 73 19.616 44.221 -12.050 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.301 42.586 -12.596 1.00 0.00 H new ATOM 0 HG2 ARG A 73 16.837 44.268 -12.354 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.979 44.862 -13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 73 16.316 43.227 -14.514 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.977 42.714 -14.730 1.00 0.00 H new ATOM 0 HE ARG A 73 17.254 41.498 -12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.972 41.719 -15.539 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.224 40.119 -15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.299 39.451 -12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.408 38.846 -13.628 1.00 0.00 H new ATOM 1196 N ASN A 74 20.610 43.361 -9.873 1.00 0.00 N ATOM 1197 CA ASN A 74 21.793 42.962 -9.060 1.00 0.00 C ATOM 1198 C ASN A 74 22.726 44.163 -8.891 1.00 0.00 C ATOM 1199 O ASN A 74 22.324 45.299 -9.040 1.00 0.00 O ATOM 1200 CB ASN A 74 22.541 41.830 -9.769 1.00 0.00 C ATOM 1201 CG ASN A 74 22.964 42.291 -11.165 1.00 0.00 C ATOM 1202 OD1 ASN A 74 23.541 41.533 -11.919 1.00 0.00 O ATOM 1203 ND2 ASN A 74 22.699 43.511 -11.544 1.00 0.00 N ATOM 0 H ASN A 74 20.720 44.222 -10.408 1.00 0.00 H new ATOM 0 HA ASN A 74 21.461 42.620 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 74 23.418 41.541 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 74 21.903 40.949 -9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 74 22.976 43.828 -12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 74 22.215 44.148 -10.911 1.00 0.00 H new ATOM 1210 N THR A 75 23.970 43.920 -8.580 1.00 0.00 N ATOM 1211 CA THR A 75 24.927 45.048 -8.401 1.00 0.00 C ATOM 1212 C THR A 75 25.041 45.836 -9.707 1.00 0.00 C ATOM 1213 O THR A 75 24.501 46.916 -9.841 1.00 0.00 O ATOM 1214 CB THR A 75 26.302 44.494 -8.018 1.00 0.00 C ATOM 1215 OG1 THR A 75 26.164 43.615 -6.910 1.00 0.00 O ATOM 1216 CG2 THR A 75 27.232 45.649 -7.644 1.00 0.00 C ATOM 0 H THR A 75 24.365 42.990 -8.442 1.00 0.00 H new ATOM 0 HA THR A 75 24.566 45.707 -7.611 1.00 0.00 H new ATOM 0 HB THR A 75 26.724 43.950 -8.863 1.00 0.00 H new ATOM 0 HG1 THR A 75 27.043 43.258 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 75 28.211 45.254 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.336 46.322 -8.495 1.00 0.00 H new ATOM 0 HG23 THR A 75 26.813 46.195 -6.799 1.00 0.00 H new ATOM 1224 N THR A 76 25.742 45.307 -10.673 1.00 0.00 N ATOM 1225 CA THR A 76 25.890 46.030 -11.967 1.00 0.00 C ATOM 1226 C THR A 76 24.506 46.323 -12.549 1.00 0.00 C ATOM 1227 O THR A 76 23.667 45.451 -12.651 1.00 0.00 O ATOM 1228 CB THR A 76 26.684 45.166 -12.951 1.00 0.00 C ATOM 1229 OG1 THR A 76 26.403 45.586 -14.279 1.00 0.00 O ATOM 1230 CG2 THR A 76 26.286 43.700 -12.782 1.00 0.00 C ATOM 0 H THR A 76 26.218 44.406 -10.622 1.00 0.00 H new ATOM 0 HA THR A 76 26.420 46.967 -11.798 1.00 0.00 H new ATOM 0 HB THR A 76 27.750 45.274 -12.753 1.00 0.00 H new ATOM 0 HG1 THR A 76 26.911 45.035 -14.911 1.00 0.00 H new ATOM 0 HG21 THR A 76 26.852 43.086 -13.483 1.00 0.00 H new ATOM 0 HG22 THR A 76 26.502 43.380 -11.763 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.220 43.587 -12.980 1.00 0.00 H new ATOM 1238 N ARG A 77 24.261 47.547 -12.930 1.00 0.00 N ATOM 1239 CA ARG A 77 22.932 47.899 -13.504 1.00 0.00 C ATOM 1240 C ARG A 77 22.889 47.490 -14.978 1.00 0.00 C ATOM 1241 O ARG A 77 23.093 48.298 -15.862 1.00 0.00 O ATOM 1242 CB ARG A 77 22.711 49.408 -13.387 1.00 0.00 C ATOM 1243 CG ARG A 77 22.750 49.816 -11.913 1.00 0.00 C ATOM 1244 CD ARG A 77 22.407 51.301 -11.785 1.00 0.00 C ATOM 1245 NE ARG A 77 23.326 52.099 -12.643 1.00 0.00 N ATOM 1246 CZ ARG A 77 23.036 53.337 -12.935 1.00 0.00 C ATOM 1247 NH1 ARG A 77 21.938 53.875 -12.478 1.00 0.00 N ATOM 1248 NH2 ARG A 77 23.842 54.037 -13.685 1.00 0.00 N ATOM 0 H ARG A 77 24.925 48.319 -12.868 1.00 0.00 H new ATOM 0 HA ARG A 77 22.149 47.373 -12.958 1.00 0.00 H new ATOM 0 HB2 ARG A 77 23.480 49.943 -13.944 1.00 0.00 H new ATOM 0 HB3 ARG A 77 21.751 49.681 -13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.041 49.218 -11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 77 23.739 49.623 -11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 77 21.373 51.473 -12.083 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.496 51.617 -10.746 1.00 0.00 H new ATOM 0 HE ARG A 77 24.182 51.678 -13.003 1.00 0.00 H new ATOM 0 HH11 ARG A 77 21.307 53.327 -11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.711 54.843 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 77 24.699 53.616 -14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 77 23.615 55.005 -13.913 1.00 0.00 H new ATOM 1262 N GLN A 78 22.628 46.241 -15.249 1.00 0.00 N ATOM 1263 CA GLN A 78 22.574 45.782 -16.666 1.00 0.00 C ATOM 1264 C GLN A 78 21.359 46.404 -17.359 1.00 0.00 C ATOM 1265 O GLN A 78 20.564 45.720 -17.971 1.00 0.00 O ATOM 1266 CB GLN A 78 22.456 44.257 -16.703 1.00 0.00 C ATOM 1267 CG GLN A 78 23.733 43.632 -16.139 1.00 0.00 C ATOM 1268 CD GLN A 78 23.627 42.107 -16.202 1.00 0.00 C ATOM 1269 OE1 GLN A 78 23.269 41.471 -15.231 1.00 0.00 O ATOM 1270 NE2 GLN A 78 23.924 41.490 -17.313 1.00 0.00 N ATOM 0 H GLN A 78 22.450 45.519 -14.551 1.00 0.00 H new ATOM 0 HA GLN A 78 23.483 46.090 -17.182 1.00 0.00 H new ATOM 0 HB2 GLN A 78 21.593 43.934 -16.121 1.00 0.00 H new ATOM 0 HB3 GLN A 78 22.295 43.919 -17.727 1.00 0.00 H new ATOM 0 HG2 GLN A 78 24.598 43.971 -16.709 1.00 0.00 H new ATOM 0 HG3 GLN A 78 23.884 43.954 -15.109 1.00 0.00 H new ATOM 0 HE21 GLN A 78 24.225 42.024 -18.128 1.00 0.00 H new ATOM 0 HE22 GLN A 78 23.855 40.474 -17.366 1.00 0.00 H new ATOM 1279 N CYS A 79 21.210 47.697 -17.267 1.00 0.00 N ATOM 1280 CA CYS A 79 20.047 48.361 -17.921 1.00 0.00 C ATOM 1281 C CYS A 79 20.291 49.870 -17.983 1.00 0.00 C ATOM 1282 O CYS A 79 19.451 50.627 -18.428 1.00 0.00 O ATOM 1283 CB CYS A 79 18.779 48.083 -17.110 1.00 0.00 C ATOM 1284 SG CYS A 79 18.880 48.944 -15.521 1.00 0.00 S ATOM 0 H CYS A 79 21.843 48.322 -16.768 1.00 0.00 H new ATOM 0 HA CYS A 79 19.926 47.970 -18.931 1.00 0.00 H new ATOM 0 HB2 CYS A 79 17.901 48.417 -17.662 1.00 0.00 H new ATOM 0 HB3 CYS A 79 18.665 47.011 -16.949 1.00 0.00 H new ATOM 0 HG CYS A 79 17.803 48.711 -14.832 1.00 0.00 H new ATOM 1290 N GLY A 80 21.436 50.313 -17.540 1.00 0.00 N ATOM 1291 CA GLY A 80 21.733 51.773 -17.573 1.00 0.00 C ATOM 1292 C GLY A 80 23.241 51.990 -17.439 1.00 0.00 C ATOM 1293 O GLY A 80 23.931 51.036 -17.118 1.00 0.00 O ATOM 1294 OXT GLY A 80 23.681 53.107 -17.659 1.00 0.00 O ATOM 0 H GLY A 80 22.178 49.727 -17.157 1.00 0.00 H new ATOM 0 HA2 GLY A 80 21.374 52.207 -18.506 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.209 52.280 -16.763 1.00 0.00 H new TER 1298 GLY A 80 ATOM 1299 N GLY B 1 2.544 14.230 3.540 1.00 6.48 N ATOM 1300 CA GLY B 1 2.678 13.125 4.590 1.00 5.73 C ATOM 1301 C GLY B 1 3.036 13.477 5.993 1.00 4.94 C ATOM 1302 O GLY B 1 2.677 12.788 6.927 1.00 5.12 O ATOM 0 H1 GLY B 1 2.291 13.809 2.623 1.00 6.48 H new ATOM 0 H2 GLY B 1 1.801 14.897 3.831 1.00 6.48 H new ATOM 0 H3 GLY B 1 3.448 14.736 3.451 1.00 6.48 H new ATOM 0 HA2 GLY B 1 1.729 12.589 4.621 1.00 5.73 H new ATOM 0 HA3 GLY B 1 3.429 12.423 4.229 1.00 5.73 H new ATOM 1308 N SER B 2 3.751 14.553 6.181 1.00 4.43 N ATOM 1309 CA SER B 2 4.142 14.958 7.561 1.00 3.98 C ATOM 1310 C SER B 2 4.860 16.322 7.496 1.00 2.98 C ATOM 1311 O SER B 2 5.276 16.736 6.433 1.00 3.23 O ATOM 1312 CB SER B 2 5.068 13.876 8.150 1.00 4.81 C ATOM 1313 OG SER B 2 4.415 13.253 9.249 1.00 5.35 O ATOM 0 H SER B 2 4.081 15.169 5.438 1.00 4.43 H new ATOM 0 HA SER B 2 3.265 15.056 8.200 1.00 3.98 H new ATOM 0 HB2 SER B 2 5.313 13.135 7.389 1.00 4.81 H new ATOM 0 HB3 SER B 2 6.008 14.322 8.475 1.00 4.81 H new ATOM 0 HG SER B 2 3.577 12.846 8.944 1.00 5.35 H new ATOM 1319 N PRO B 3 4.996 16.983 8.630 1.00 2.36 N ATOM 1320 CA PRO B 3 5.676 18.293 8.679 1.00 2.03 C ATOM 1321 C PRO B 3 7.104 18.156 8.124 1.00 1.67 C ATOM 1322 O PRO B 3 7.391 17.272 7.342 1.00 2.17 O ATOM 1323 CB PRO B 3 5.680 18.686 10.178 1.00 2.59 C ATOM 1324 CG PRO B 3 4.996 17.529 10.966 1.00 2.98 C ATOM 1325 CD PRO B 3 4.494 16.494 9.934 1.00 2.84 C ATOM 0 HA PRO B 3 5.181 19.054 8.075 1.00 2.03 H new ATOM 0 HB2 PRO B 3 6.699 18.841 10.531 1.00 2.59 H new ATOM 0 HB3 PRO B 3 5.144 19.623 10.330 1.00 2.59 H new ATOM 0 HG2 PRO B 3 5.701 17.068 11.659 1.00 2.98 H new ATOM 0 HG3 PRO B 3 4.166 17.909 11.562 1.00 2.98 H new ATOM 0 HD2 PRO B 3 4.876 15.497 10.156 1.00 2.84 H new ATOM 0 HD3 PRO B 3 3.406 16.427 9.939 1.00 2.84 H new ATOM 1333 N LEU B 4 7.997 19.027 8.527 1.00 1.47 N ATOM 1334 CA LEU B 4 9.408 18.964 8.036 1.00 1.38 C ATOM 1335 C LEU B 4 10.358 19.106 9.229 1.00 1.11 C ATOM 1336 O LEU B 4 10.456 20.152 9.838 1.00 1.29 O ATOM 1337 CB LEU B 4 9.647 20.111 7.044 1.00 1.71 C ATOM 1338 CG LEU B 4 10.899 19.823 6.188 1.00 2.15 C ATOM 1339 CD1 LEU B 4 10.526 18.958 4.976 1.00 2.81 C ATOM 1340 CD2 LEU B 4 11.495 21.145 5.692 1.00 2.82 C ATOM 0 H LEU B 4 7.806 19.786 9.181 1.00 1.47 H new ATOM 0 HA LEU B 4 9.589 18.011 7.538 1.00 1.38 H new ATOM 0 HB2 LEU B 4 8.776 20.231 6.399 1.00 1.71 H new ATOM 0 HB3 LEU B 4 9.775 21.049 7.585 1.00 1.71 H new ATOM 0 HG LEU B 4 11.628 19.291 6.800 1.00 2.15 H new ATOM 0 HD11 LEU B 4 11.418 18.762 4.381 1.00 2.81 H new ATOM 0 HD12 LEU B 4 10.104 18.013 5.319 1.00 2.81 H new ATOM 0 HD13 LEU B 4 9.791 19.483 4.366 1.00 2.81 H new ATOM 0 HD21 LEU B 4 12.379 20.942 5.088 1.00 2.82 H new ATOM 0 HD22 LEU B 4 10.757 21.673 5.089 1.00 2.82 H new ATOM 0 HD23 LEU B 4 11.774 21.762 6.546 1.00 2.82 H new ATOM 1352 N GLY B 5 11.052 18.057 9.567 1.00 0.96 N ATOM 1353 CA GLY B 5 11.991 18.119 10.724 1.00 0.91 C ATOM 1354 C GLY B 5 13.156 19.059 10.402 1.00 0.71 C ATOM 1355 O GLY B 5 13.642 19.773 11.257 1.00 0.79 O ATOM 0 H GLY B 5 11.011 17.156 9.091 1.00 0.96 H new ATOM 0 HA2 GLY B 5 11.465 18.469 11.612 1.00 0.91 H new ATOM 0 HA3 GLY B 5 12.369 17.122 10.950 1.00 0.91 H new ATOM 1359 N GLN B 6 13.613 19.063 9.180 1.00 0.61 N ATOM 1360 CA GLN B 6 14.751 19.954 8.813 1.00 0.58 C ATOM 1361 C GLN B 6 14.476 21.371 9.310 1.00 0.45 C ATOM 1362 O GLN B 6 15.318 22.003 9.916 1.00 0.53 O ATOM 1363 CB GLN B 6 14.917 19.971 7.290 1.00 0.73 C ATOM 1364 CG GLN B 6 16.234 20.660 6.926 1.00 0.92 C ATOM 1365 CD GLN B 6 16.508 20.483 5.431 1.00 1.60 C ATOM 1366 OE1 GLN B 6 15.598 20.519 4.626 1.00 2.37 O ATOM 1367 NE2 GLN B 6 17.733 20.293 5.024 1.00 2.15 N ATOM 0 H GLN B 6 13.248 18.489 8.420 1.00 0.61 H new ATOM 0 HA GLN B 6 15.665 19.580 9.275 1.00 0.58 H new ATOM 0 HB2 GLN B 6 14.908 18.953 6.901 1.00 0.73 H new ATOM 0 HB3 GLN B 6 14.080 20.496 6.828 1.00 0.73 H new ATOM 0 HG2 GLN B 6 16.182 21.720 7.174 1.00 0.92 H new ATOM 0 HG3 GLN B 6 17.052 20.236 7.509 1.00 0.92 H new ATOM 0 HE21 GLN B 6 18.496 20.263 5.700 1.00 2.15 H new ATOM 0 HE22 GLN B 6 17.927 20.175 4.030 1.00 2.15 H new ATOM 1376 N ASP B 7 13.305 21.875 9.056 1.00 0.40 N ATOM 1377 CA ASP B 7 12.969 23.250 9.507 1.00 0.38 C ATOM 1378 C ASP B 7 13.144 23.351 11.025 1.00 0.33 C ATOM 1379 O ASP B 7 13.561 24.367 11.545 1.00 0.39 O ATOM 1380 CB ASP B 7 11.515 23.552 9.131 1.00 0.48 C ATOM 1381 CG ASP B 7 11.428 23.930 7.649 1.00 1.12 C ATOM 1382 OD1 ASP B 7 12.323 24.613 7.177 1.00 1.78 O ATOM 1383 OD2 ASP B 7 10.468 23.530 7.011 1.00 1.86 O ATOM 0 H ASP B 7 12.562 21.391 8.552 1.00 0.40 H new ATOM 0 HA ASP B 7 13.631 23.970 9.026 1.00 0.38 H new ATOM 0 HB2 ASP B 7 10.890 22.681 9.331 1.00 0.48 H new ATOM 0 HB3 ASP B 7 11.133 24.367 9.746 1.00 0.48 H new ATOM 1388 N VAL B 8 12.822 22.310 11.738 1.00 0.33 N ATOM 1389 CA VAL B 8 12.965 22.351 13.221 1.00 0.39 C ATOM 1390 C VAL B 8 14.446 22.460 13.595 1.00 0.36 C ATOM 1391 O VAL B 8 14.832 23.291 14.392 1.00 0.48 O ATOM 1392 CB VAL B 8 12.378 21.078 13.831 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.257 21.254 15.346 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.992 20.819 13.237 1.00 1.19 C ATOM 0 H VAL B 8 12.466 21.432 11.360 1.00 0.33 H new ATOM 0 HA VAL B 8 12.430 23.218 13.608 1.00 0.39 H new ATOM 0 HB VAL B 8 13.030 20.233 13.611 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.839 20.348 15.785 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.243 21.441 15.770 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.603 22.098 15.563 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.574 19.911 13.672 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.338 21.662 13.458 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.076 20.698 12.157 1.00 1.19 H new ATOM 1404 N PHE B 9 15.281 21.632 13.029 1.00 0.28 N ATOM 1405 CA PHE B 9 16.735 21.699 13.359 1.00 0.27 C ATOM 1406 C PHE B 9 17.204 23.152 13.271 1.00 0.25 C ATOM 1407 O PHE B 9 17.903 23.642 14.135 1.00 0.32 O ATOM 1408 CB PHE B 9 17.522 20.834 12.369 1.00 0.26 C ATOM 1409 CG PHE B 9 18.893 20.536 12.928 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.954 21.415 12.685 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.103 19.380 13.688 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.223 21.138 13.202 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.373 19.103 14.205 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.433 19.984 13.962 1.00 0.20 C ATOM 0 H PHE B 9 15.021 20.913 12.354 1.00 0.28 H new ATOM 0 HA PHE B 9 16.903 21.327 14.370 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.987 19.904 12.179 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.613 21.350 11.413 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.793 22.307 12.098 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.284 18.701 13.876 1.00 0.18 H new ATOM 0 HE1 PHE B 9 22.042 21.816 13.014 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.535 18.210 14.791 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.414 19.772 14.362 1.00 0.20 H new ATOM 1424 N LEU B 10 16.812 23.851 12.242 1.00 0.23 N ATOM 1425 CA LEU B 10 17.226 25.274 12.119 1.00 0.23 C ATOM 1426 C LEU B 10 16.554 26.072 13.235 1.00 0.24 C ATOM 1427 O LEU B 10 17.121 26.999 13.778 1.00 0.28 O ATOM 1428 CB LEU B 10 16.794 25.825 10.758 1.00 0.25 C ATOM 1429 CG LEU B 10 17.213 24.859 9.645 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.972 25.520 8.288 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.702 24.514 9.783 1.00 0.23 C ATOM 0 H LEU B 10 16.226 23.499 11.485 1.00 0.23 H new ATOM 0 HA LEU B 10 18.310 25.355 12.201 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.713 25.967 10.740 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.247 26.803 10.592 1.00 0.25 H new ATOM 0 HG LEU B 10 16.625 23.945 9.723 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.269 24.836 7.493 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.914 25.761 8.183 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.561 26.434 8.219 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.991 23.827 8.988 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.295 25.425 9.709 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.878 24.044 10.751 1.00 0.23 H new ATOM 1443 N ASP B 11 15.352 25.708 13.591 1.00 0.23 N ATOM 1444 CA ASP B 11 14.652 26.437 14.686 1.00 0.25 C ATOM 1445 C ASP B 11 15.566 26.461 15.910 1.00 0.22 C ATOM 1446 O ASP B 11 15.912 27.509 16.418 1.00 0.30 O ATOM 1447 CB ASP B 11 13.340 25.723 15.033 1.00 0.30 C ATOM 1448 CG ASP B 11 12.453 26.657 15.859 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.826 26.957 16.982 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.417 27.056 15.355 1.00 1.67 O ATOM 0 H ASP B 11 14.826 24.940 13.173 1.00 0.23 H new ATOM 0 HA ASP B 11 14.422 27.454 14.369 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.823 25.426 14.121 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.547 24.811 15.593 1.00 0.30 H new ATOM 1455 N TYR B 12 15.976 25.312 16.377 1.00 0.17 N ATOM 1456 CA TYR B 12 16.885 25.275 17.554 1.00 0.15 C ATOM 1457 C TYR B 12 18.118 26.115 17.232 1.00 0.16 C ATOM 1458 O TYR B 12 18.502 26.999 17.972 1.00 0.23 O ATOM 1459 CB TYR B 12 17.318 23.828 17.828 1.00 0.14 C ATOM 1460 CG TYR B 12 16.118 22.996 18.243 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.399 23.325 19.400 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.728 21.892 17.473 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.295 22.554 19.783 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.623 21.123 17.857 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.907 21.454 19.011 1.00 0.27 C ATOM 1466 OH TYR B 12 12.819 20.694 19.390 1.00 0.32 O ATOM 0 H TYR B 12 15.721 24.402 15.994 1.00 0.17 H new ATOM 0 HA TYR B 12 16.374 25.667 18.433 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.775 23.401 16.935 1.00 0.14 H new ATOM 0 HB3 TYR B 12 18.073 23.808 18.613 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.697 24.174 19.997 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.281 21.634 16.582 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.742 22.809 20.675 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.324 20.273 17.261 1.00 0.24 H new ATOM 0 HH TYR B 12 12.685 19.969 18.744 1.00 0.32 H new ATOM 1476 N CYS B 13 18.731 25.833 16.118 1.00 0.19 N ATOM 1477 CA CYS B 13 19.944 26.589 15.688 1.00 0.24 C ATOM 1478 C CYS B 13 19.744 28.084 15.948 1.00 0.26 C ATOM 1479 O CYS B 13 20.647 28.776 16.373 1.00 0.33 O ATOM 1480 CB CYS B 13 20.173 26.352 14.192 1.00 0.30 C ATOM 1481 SG CYS B 13 21.860 26.828 13.747 1.00 1.27 S ATOM 0 H CYS B 13 18.439 25.098 15.474 1.00 0.19 H new ATOM 0 HA CYS B 13 20.810 26.245 16.254 1.00 0.24 H new ATOM 0 HB2 CYS B 13 20.006 25.302 13.951 1.00 0.30 H new ATOM 0 HB3 CYS B 13 19.456 26.931 13.609 1.00 0.30 H new ATOM 0 HG CYS B 13 21.836 27.954 13.098 1.00 1.27 H new ATOM 1487 N GLN B 14 18.565 28.584 15.703 1.00 0.24 N ATOM 1488 CA GLN B 14 18.310 30.029 15.945 1.00 0.27 C ATOM 1489 C GLN B 14 18.592 30.348 17.414 1.00 0.24 C ATOM 1490 O GLN B 14 19.402 31.195 17.730 1.00 0.29 O ATOM 1491 CB GLN B 14 16.851 30.353 15.620 1.00 0.32 C ATOM 1492 CG GLN B 14 16.656 31.869 15.626 1.00 0.62 C ATOM 1493 CD GLN B 14 15.211 32.200 15.248 1.00 0.88 C ATOM 1494 OE1 GLN B 14 14.807 32.013 14.117 1.00 1.69 O ATOM 1495 NE2 GLN B 14 14.409 32.689 16.154 1.00 1.44 N ATOM 0 H GLN B 14 17.769 28.055 15.346 1.00 0.24 H new ATOM 0 HA GLN B 14 18.961 30.629 15.308 1.00 0.27 H new ATOM 0 HB2 GLN B 14 16.584 29.945 14.645 1.00 0.32 H new ATOM 0 HB3 GLN B 14 16.191 29.887 16.352 1.00 0.32 H new ATOM 0 HG2 GLN B 14 16.886 32.272 16.612 1.00 0.62 H new ATOM 0 HG3 GLN B 14 17.344 32.337 14.922 1.00 0.62 H new ATOM 0 HE21 GLN B 14 14.747 32.846 17.103 1.00 1.44 H new ATOM 0 HE22 GLN B 14 13.444 32.914 15.913 1.00 1.44 H new ATOM 1504 N LYS B 15 17.936 29.666 18.316 1.00 0.23 N ATOM 1505 CA LYS B 15 18.167 29.921 19.770 1.00 0.23 C ATOM 1506 C LYS B 15 19.672 30.003 20.042 1.00 0.20 C ATOM 1507 O LYS B 15 20.177 31.000 20.519 1.00 0.23 O ATOM 1508 CB LYS B 15 17.583 28.758 20.573 1.00 0.24 C ATOM 1509 CG LYS B 15 16.063 28.898 20.680 1.00 0.55 C ATOM 1510 CD LYS B 15 15.468 27.573 21.177 1.00 1.19 C ATOM 1511 CE LYS B 15 14.065 27.807 21.734 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.241 28.531 20.726 1.00 2.21 N ATOM 0 H LYS B 15 17.249 28.942 18.109 1.00 0.23 H new ATOM 0 HA LYS B 15 17.691 30.858 20.059 1.00 0.23 H new ATOM 0 HB2 LYS B 15 17.835 27.813 20.093 1.00 0.24 H new ATOM 0 HB3 LYS B 15 18.024 28.737 21.569 1.00 0.24 H new ATOM 0 HG2 LYS B 15 15.808 29.705 21.366 1.00 0.55 H new ATOM 0 HG3 LYS B 15 15.641 29.159 19.710 1.00 0.55 H new ATOM 0 HD2 LYS B 15 15.428 26.853 20.359 1.00 1.19 H new ATOM 0 HD3 LYS B 15 16.108 27.144 21.948 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.598 26.854 21.983 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.121 28.386 22.656 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 12.233 28.411 20.951 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 13.481 29.543 20.743 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.433 28.145 19.779 1.00 2.21 H new ATOM 1526 N LEU B 16 20.387 28.956 19.738 1.00 0.18 N ATOM 1527 CA LEU B 16 21.858 28.951 19.969 1.00 0.17 C ATOM 1528 C LEU B 16 22.460 30.239 19.392 1.00 0.18 C ATOM 1529 O LEU B 16 23.518 30.679 19.793 1.00 0.23 O ATOM 1530 CB LEU B 16 22.457 27.708 19.263 1.00 0.15 C ATOM 1531 CG LEU B 16 23.483 26.987 20.161 1.00 0.15 C ATOM 1532 CD1 LEU B 16 22.776 26.280 21.332 1.00 0.25 C ATOM 1533 CD2 LEU B 16 24.228 25.950 19.313 1.00 0.18 C ATOM 0 H LEU B 16 20.012 28.097 19.336 1.00 0.18 H new ATOM 0 HA LEU B 16 22.084 28.907 21.034 1.00 0.17 H new ATOM 0 HB2 LEU B 16 21.656 27.018 18.998 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.937 28.013 18.333 1.00 0.15 H new ATOM 0 HG LEU B 16 24.181 27.717 20.571 1.00 0.15 H new ATOM 0 HD11 LEU B 16 23.517 25.777 21.954 1.00 0.25 H new ATOM 0 HD12 LEU B 16 22.239 27.016 21.930 1.00 0.25 H new ATOM 0 HD13 LEU B 16 22.071 25.546 20.942 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.958 25.430 19.933 1.00 0.18 H new ATOM 0 HD22 LEU B 16 23.516 25.230 18.910 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.740 26.452 18.492 1.00 0.18 H new ATOM 1545 N LEU B 17 21.796 30.834 18.441 1.00 0.17 N ATOM 1546 CA LEU B 17 22.327 32.080 17.822 1.00 0.19 C ATOM 1547 C LEU B 17 21.939 33.307 18.656 1.00 0.22 C ATOM 1548 O LEU B 17 22.786 34.048 19.114 1.00 0.30 O ATOM 1549 CB LEU B 17 21.748 32.214 16.406 1.00 0.19 C ATOM 1550 CG LEU B 17 22.649 33.129 15.549 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.795 32.311 14.935 1.00 0.14 C ATOM 1552 CD2 LEU B 17 21.833 33.765 14.416 1.00 0.33 C ATOM 0 H LEU B 17 20.905 30.510 18.065 1.00 0.17 H new ATOM 0 HA LEU B 17 23.415 32.024 17.781 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.669 31.231 15.942 1.00 0.19 H new ATOM 0 HB3 LEU B 17 20.740 32.625 16.454 1.00 0.19 H new ATOM 0 HG LEU B 17 23.055 33.911 16.191 1.00 0.22 H new ATOM 0 HD11 LEU B 17 24.426 32.964 14.332 1.00 0.14 H new ATOM 0 HD12 LEU B 17 24.391 31.865 15.731 1.00 0.14 H new ATOM 0 HD13 LEU B 17 23.383 31.523 14.305 1.00 0.14 H new ATOM 0 HD21 LEU B 17 22.479 34.408 13.819 1.00 0.33 H new ATOM 0 HD22 LEU B 17 21.416 32.981 13.783 1.00 0.33 H new ATOM 0 HD23 LEU B 17 21.023 34.358 14.840 1.00 0.33 H new ATOM 1564 N GLU B 18 20.668 33.540 18.841 1.00 0.20 N ATOM 1565 CA GLU B 18 20.238 34.732 19.625 1.00 0.24 C ATOM 1566 C GLU B 18 20.766 34.631 21.058 1.00 0.22 C ATOM 1567 O GLU B 18 21.239 35.597 21.623 1.00 0.26 O ATOM 1568 CB GLU B 18 18.707 34.816 19.637 1.00 0.30 C ATOM 1569 CG GLU B 18 18.107 33.421 19.820 1.00 1.05 C ATOM 1570 CD GLU B 18 16.611 33.546 20.113 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.841 33.564 19.166 1.00 2.29 O ATOM 1572 OE2 GLU B 18 16.260 33.622 21.279 1.00 2.17 O ATOM 0 H GLU B 18 19.911 32.958 18.484 1.00 0.20 H new ATOM 0 HA GLU B 18 20.643 35.632 19.161 1.00 0.24 H new ATOM 0 HB2 GLU B 18 18.377 35.471 20.443 1.00 0.30 H new ATOM 0 HB3 GLU B 18 18.351 35.254 18.704 1.00 0.30 H new ATOM 0 HG2 GLU B 18 18.264 32.825 18.921 1.00 1.05 H new ATOM 0 HG3 GLU B 18 18.607 32.902 20.638 1.00 1.05 H new ATOM 1579 N LYS B 19 20.689 33.475 21.651 1.00 0.19 N ATOM 1580 CA LYS B 19 21.188 33.326 23.045 1.00 0.20 C ATOM 1581 C LYS B 19 22.621 33.848 23.122 1.00 0.19 C ATOM 1582 O LYS B 19 22.948 34.670 23.955 1.00 0.26 O ATOM 1583 CB LYS B 19 21.141 31.852 23.446 1.00 0.21 C ATOM 1584 CG LYS B 19 21.293 31.724 24.962 1.00 0.29 C ATOM 1585 CD LYS B 19 21.580 30.263 25.316 1.00 0.33 C ATOM 1586 CE LYS B 19 21.424 30.048 26.824 1.00 0.95 C ATOM 1587 NZ LYS B 19 22.541 30.723 27.542 1.00 1.68 N ATOM 0 H LYS B 19 20.303 32.628 21.233 1.00 0.19 H new ATOM 0 HA LYS B 19 20.561 33.898 23.729 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.198 31.408 23.127 1.00 0.21 H new ATOM 0 HB3 LYS B 19 21.937 31.303 22.944 1.00 0.21 H new ATOM 0 HG2 LYS B 19 22.104 32.362 25.314 1.00 0.29 H new ATOM 0 HG3 LYS B 19 20.384 32.060 25.461 1.00 0.29 H new ATOM 0 HD2 LYS B 19 20.897 29.608 24.775 1.00 0.33 H new ATOM 0 HD3 LYS B 19 22.590 29.997 25.005 1.00 0.33 H new ATOM 0 HE2 LYS B 19 20.467 30.447 27.162 1.00 0.95 H new ATOM 0 HE3 LYS B 19 21.423 28.982 27.052 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 22.472 30.520 28.560 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 23.450 30.371 27.179 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 22.482 31.750 27.389 1.00 1.68 H new ATOM 1601 N PHE B 20 23.475 33.393 22.250 1.00 0.15 N ATOM 1602 CA PHE B 20 24.879 33.876 22.258 1.00 0.15 C ATOM 1603 C PHE B 20 24.945 35.179 21.458 1.00 0.16 C ATOM 1604 O PHE B 20 25.997 35.749 21.253 1.00 0.25 O ATOM 1605 CB PHE B 20 25.766 32.816 21.612 1.00 0.14 C ATOM 1606 CG PHE B 20 25.933 31.654 22.566 1.00 0.13 C ATOM 1607 CD1 PHE B 20 24.911 30.705 22.673 1.00 0.14 C ATOM 1608 CD2 PHE B 20 27.095 31.523 23.346 1.00 0.14 C ATOM 1609 CE1 PHE B 20 25.041 29.627 23.552 1.00 0.14 C ATOM 1610 CE2 PHE B 20 27.222 30.441 24.228 1.00 0.15 C ATOM 1611 CZ PHE B 20 26.193 29.494 24.329 1.00 0.14 C ATOM 0 H PHE B 20 23.258 32.704 21.530 1.00 0.15 H new ATOM 0 HA PHE B 20 25.223 34.057 23.277 1.00 0.15 H new ATOM 0 HB2 PHE B 20 25.321 32.473 20.678 1.00 0.14 H new ATOM 0 HB3 PHE B 20 26.739 33.241 21.365 1.00 0.14 H new ATOM 0 HD1 PHE B 20 24.018 30.806 22.074 1.00 0.14 H new ATOM 0 HD2 PHE B 20 27.887 32.253 23.266 1.00 0.14 H new ATOM 0 HE1 PHE B 20 24.250 28.896 23.630 1.00 0.14 H new ATOM 0 HE2 PHE B 20 28.113 30.337 24.830 1.00 0.15 H new ATOM 0 HZ PHE B 20 26.292 28.661 25.009 1.00 0.14 H new ATOM 1621 N ARG B 21 23.809 35.656 21.022 1.00 0.15 N ATOM 1622 CA ARG B 21 23.765 36.933 20.247 1.00 0.17 C ATOM 1623 C ARG B 21 24.737 36.901 19.058 1.00 0.14 C ATOM 1624 O ARG B 21 25.388 37.884 18.765 1.00 0.18 O ATOM 1625 CB ARG B 21 24.145 38.093 21.170 1.00 0.23 C ATOM 1626 CG ARG B 21 23.258 38.072 22.423 1.00 0.58 C ATOM 1627 CD ARG B 21 23.289 39.442 23.108 1.00 1.16 C ATOM 1628 NE ARG B 21 24.689 39.985 23.108 1.00 1.87 N ATOM 1629 CZ ARG B 21 25.684 39.315 23.628 1.00 2.62 C ATOM 1630 NH1 ARG B 21 25.465 38.227 24.314 1.00 2.94 N ATOM 1631 NH2 ARG B 21 26.902 39.766 23.502 1.00 3.56 N ATOM 0 H ARG B 21 22.902 35.213 21.170 1.00 0.15 H new ATOM 0 HA ARG B 21 22.754 37.063 19.861 1.00 0.17 H new ATOM 0 HB2 ARG B 21 25.194 38.015 21.455 1.00 0.23 H new ATOM 0 HB3 ARG B 21 24.027 39.041 20.645 1.00 0.23 H new ATOM 0 HG2 ARG B 21 22.234 37.815 22.150 1.00 0.58 H new ATOM 0 HG3 ARG B 21 23.606 37.303 23.113 1.00 0.58 H new ATOM 0 HD2 ARG B 21 22.623 40.132 22.590 1.00 1.16 H new ATOM 0 HD3 ARG B 21 22.924 39.354 24.131 1.00 1.16 H new ATOM 0 HE ARG B 21 24.868 40.899 22.692 1.00 1.87 H new ATOM 0 HH11 ARG B 21 24.511 37.892 24.448 1.00 2.94 H new ATOM 0 HH12 ARG B 21 26.248 37.711 24.716 1.00 2.94 H new ATOM 0 HH21 ARG B 21 27.074 40.637 23.000 1.00 3.56 H new ATOM 0 HH22 ARG B 21 27.682 39.247 23.906 1.00 3.56 H new ATOM 1645 N TYR B 22 24.843 35.798 18.359 1.00 0.14 N ATOM 1646 CA TYR B 22 25.776 35.753 17.188 1.00 0.13 C ATOM 1647 C TYR B 22 25.047 36.312 15.939 1.00 0.15 C ATOM 1648 O TYR B 22 23.838 36.222 15.863 1.00 0.16 O ATOM 1649 CB TYR B 22 26.177 34.293 16.910 1.00 0.12 C ATOM 1650 CG TYR B 22 27.329 33.855 17.806 1.00 0.13 C ATOM 1651 CD1 TYR B 22 28.553 34.551 17.805 1.00 0.14 C ATOM 1652 CD2 TYR B 22 27.172 32.734 18.634 1.00 0.14 C ATOM 1653 CE1 TYR B 22 29.601 34.125 18.627 1.00 0.17 C ATOM 1654 CE2 TYR B 22 28.224 32.312 19.454 1.00 0.17 C ATOM 1655 CZ TYR B 22 29.437 33.007 19.451 1.00 0.18 C ATOM 1656 OH TYR B 22 30.473 32.590 20.258 1.00 0.21 O ATOM 0 H TYR B 22 24.331 34.936 18.544 1.00 0.14 H new ATOM 0 HA TYR B 22 26.663 36.348 17.406 1.00 0.13 H new ATOM 0 HB2 TYR B 22 25.319 33.641 17.072 1.00 0.12 H new ATOM 0 HB3 TYR B 22 26.466 34.186 15.864 1.00 0.12 H new ATOM 0 HD1 TYR B 22 28.683 35.414 17.169 1.00 0.14 H new ATOM 0 HD2 TYR B 22 26.236 32.195 18.639 1.00 0.14 H new ATOM 0 HE1 TYR B 22 30.539 34.660 18.626 1.00 0.17 H new ATOM 0 HE2 TYR B 22 28.099 31.448 20.090 1.00 0.17 H new ATOM 0 HH TYR B 22 30.692 31.657 20.054 1.00 0.21 H new ATOM 1666 N PRO B 23 25.788 36.849 14.976 1.00 0.16 N ATOM 1667 CA PRO B 23 25.176 37.374 13.737 1.00 0.18 C ATOM 1668 C PRO B 23 24.517 36.225 12.955 1.00 0.19 C ATOM 1669 O PRO B 23 24.600 35.075 13.335 1.00 0.19 O ATOM 1670 CB PRO B 23 26.347 37.988 12.935 1.00 0.19 C ATOM 1671 CG PRO B 23 27.658 37.623 13.684 1.00 0.17 C ATOM 1672 CD PRO B 23 27.261 36.985 15.035 1.00 0.15 C ATOM 0 HA PRO B 23 24.399 38.112 13.935 1.00 0.18 H new ATOM 0 HB2 PRO B 23 26.363 37.597 11.918 1.00 0.19 H new ATOM 0 HB3 PRO B 23 26.236 39.070 12.859 1.00 0.19 H new ATOM 0 HG2 PRO B 23 28.256 36.929 13.094 1.00 0.17 H new ATOM 0 HG3 PRO B 23 28.268 38.512 13.845 1.00 0.17 H new ATOM 0 HD2 PRO B 23 27.742 36.016 15.170 1.00 0.15 H new ATOM 0 HD3 PRO B 23 27.566 37.612 15.873 1.00 0.15 H new ATOM 1680 N TRP B 24 23.866 36.537 11.869 1.00 0.22 N ATOM 1681 CA TRP B 24 23.192 35.479 11.055 1.00 0.24 C ATOM 1682 C TRP B 24 24.213 34.736 10.186 1.00 0.25 C ATOM 1683 O TRP B 24 23.924 33.693 9.634 1.00 0.34 O ATOM 1684 CB TRP B 24 22.144 36.135 10.153 1.00 0.28 C ATOM 1685 CG TRP B 24 21.517 35.101 9.273 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.773 34.946 7.954 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.536 34.081 9.622 1.00 0.35 C ATOM 1688 NE1 TRP B 24 21.011 33.898 7.470 1.00 1.68 N ATOM 1689 CE2 TRP B 24 20.233 33.332 8.460 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.887 33.735 10.821 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 19.318 32.279 8.486 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.965 32.675 10.851 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.682 31.949 9.685 1.00 0.63 C ATOM 0 H TRP B 24 23.770 37.485 11.506 1.00 0.22 H new ATOM 0 HA TRP B 24 22.718 34.764 11.727 1.00 0.24 H new ATOM 0 HB2 TRP B 24 21.380 36.621 10.760 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.609 36.911 9.544 1.00 0.28 H new ATOM 0 HD1 TRP B 24 22.460 35.543 7.373 1.00 1.45 H new ATOM 0 HE1 TRP B 24 21.023 33.582 6.500 1.00 1.68 H new ATOM 0 HE3 TRP B 24 20.099 34.288 11.724 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 19.103 31.723 7.585 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 18.472 32.418 11.777 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.973 31.135 9.714 1.00 0.63 H new ATOM 1704 N GLU B 25 25.394 35.267 10.041 1.00 0.21 N ATOM 1705 CA GLU B 25 26.410 34.589 9.185 1.00 0.24 C ATOM 1706 C GLU B 25 26.988 33.355 9.891 1.00 0.21 C ATOM 1707 O GLU B 25 27.599 32.512 9.265 1.00 0.24 O ATOM 1708 CB GLU B 25 27.543 35.569 8.876 1.00 0.31 C ATOM 1709 CG GLU B 25 28.515 34.929 7.883 1.00 1.20 C ATOM 1710 CD GLU B 25 29.496 35.985 7.375 1.00 1.43 C ATOM 1711 OE1 GLU B 25 29.692 36.967 8.072 1.00 1.99 O ATOM 1712 OE2 GLU B 25 30.036 35.795 6.298 1.00 1.86 O ATOM 0 H GLU B 25 25.700 36.137 10.475 1.00 0.21 H new ATOM 0 HA GLU B 25 25.927 34.266 8.263 1.00 0.24 H new ATOM 0 HB2 GLU B 25 27.137 36.491 8.461 1.00 0.31 H new ATOM 0 HB3 GLU B 25 28.067 35.836 9.794 1.00 0.31 H new ATOM 0 HG2 GLU B 25 29.058 34.115 8.363 1.00 1.20 H new ATOM 0 HG3 GLU B 25 27.965 34.497 7.047 1.00 1.20 H new ATOM 1719 N LEU B 26 26.819 33.239 11.185 1.00 0.16 N ATOM 1720 CA LEU B 26 27.384 32.054 11.912 1.00 0.15 C ATOM 1721 C LEU B 26 26.326 30.965 12.081 1.00 0.15 C ATOM 1722 O LEU B 26 26.373 30.189 13.015 1.00 0.19 O ATOM 1723 CB LEU B 26 27.871 32.483 13.295 1.00 0.13 C ATOM 1724 CG LEU B 26 28.684 33.774 13.189 1.00 0.13 C ATOM 1725 CD1 LEU B 26 29.384 34.030 14.522 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.733 33.646 12.076 1.00 0.14 C ATOM 0 H LEU B 26 26.317 33.908 11.769 1.00 0.16 H new ATOM 0 HA LEU B 26 28.213 31.659 11.325 1.00 0.15 H new ATOM 0 HB2 LEU B 26 27.019 32.634 13.958 1.00 0.13 H new ATOM 0 HB3 LEU B 26 28.482 31.695 13.735 1.00 0.13 H new ATOM 0 HG LEU B 26 28.018 34.604 12.952 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.967 34.949 14.456 1.00 0.14 H new ATOM 0 HD12 LEU B 26 28.639 34.128 15.311 1.00 0.14 H new ATOM 0 HD13 LEU B 26 30.047 33.196 14.751 1.00 0.14 H new ATOM 0 HD21 LEU B 26 30.307 34.570 12.009 1.00 0.14 H new ATOM 0 HD22 LEU B 26 30.405 32.818 12.303 1.00 0.14 H new ATOM 0 HD23 LEU B 26 29.234 33.459 11.125 1.00 0.14 H new ATOM 1738 N MET B 27 25.377 30.884 11.194 1.00 0.15 N ATOM 1739 CA MET B 27 24.344 29.831 11.332 1.00 0.17 C ATOM 1740 C MET B 27 24.949 28.429 11.049 1.00 0.14 C ATOM 1741 O MET B 27 24.592 27.486 11.726 1.00 0.19 O ATOM 1742 CB MET B 27 23.163 30.135 10.381 1.00 0.20 C ATOM 1743 CG MET B 27 22.087 30.939 11.119 1.00 0.39 C ATOM 1744 SD MET B 27 21.305 29.894 12.371 1.00 1.31 S ATOM 1745 CE MET B 27 20.015 29.213 11.305 1.00 0.45 C ATOM 0 H MET B 27 25.274 31.498 10.386 1.00 0.15 H new ATOM 0 HA MET B 27 23.972 29.826 12.357 1.00 0.17 H new ATOM 0 HB2 MET B 27 23.517 30.695 9.516 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.739 29.204 10.006 1.00 0.20 H new ATOM 0 HG2 MET B 27 22.532 31.816 11.589 1.00 0.39 H new ATOM 0 HG3 MET B 27 21.339 31.300 10.413 1.00 0.39 H new ATOM 0 HE1 MET B 27 19.071 29.720 11.507 1.00 0.45 H new ATOM 0 HE2 MET B 27 20.290 29.361 10.261 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.904 28.147 11.503 1.00 0.45 H new ATOM 1755 N PRO B 28 25.840 28.303 10.072 1.00 0.09 N ATOM 1756 CA PRO B 28 26.449 26.990 9.758 1.00 0.09 C ATOM 1757 C PRO B 28 27.164 26.404 10.986 1.00 0.09 C ATOM 1758 O PRO B 28 27.248 25.204 11.142 1.00 0.14 O ATOM 1759 CB PRO B 28 27.437 27.282 8.607 1.00 0.10 C ATOM 1760 CG PRO B 28 27.101 28.702 8.086 1.00 0.12 C ATOM 1761 CD PRO B 28 26.308 29.406 9.201 1.00 0.12 C ATOM 0 HA PRO B 28 25.705 26.246 9.473 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.467 27.232 8.959 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.335 26.543 7.812 1.00 0.10 H new ATOM 0 HG2 PRO B 28 28.011 29.254 7.851 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.515 28.649 7.169 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.934 30.109 9.751 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.471 29.975 8.795 1.00 0.12 H new ATOM 1769 N LEU B 29 27.676 27.226 11.859 1.00 0.10 N ATOM 1770 CA LEU B 29 28.368 26.678 13.061 1.00 0.09 C ATOM 1771 C LEU B 29 27.317 26.222 14.072 1.00 0.10 C ATOM 1772 O LEU B 29 27.346 25.105 14.549 1.00 0.16 O ATOM 1773 CB LEU B 29 29.261 27.751 13.682 1.00 0.08 C ATOM 1774 CG LEU B 29 30.064 28.441 12.579 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.983 29.492 13.205 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.903 27.398 11.825 1.00 0.09 C ATOM 0 H LEU B 29 27.647 28.244 11.795 1.00 0.10 H new ATOM 0 HA LEU B 29 28.991 25.831 12.773 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.653 28.481 14.216 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.935 27.302 14.412 1.00 0.08 H new ATOM 0 HG LEU B 29 29.384 28.926 11.879 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.557 29.986 12.421 1.00 0.12 H new ATOM 0 HD12 LEU B 29 30.382 30.231 13.736 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.665 29.009 13.905 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.475 27.891 11.039 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.587 26.910 12.520 1.00 0.09 H new ATOM 0 HD23 LEU B 29 30.243 26.653 11.381 1.00 0.09 H new ATOM 1788 N MET B 30 26.374 27.067 14.390 1.00 0.10 N ATOM 1789 CA MET B 30 25.315 26.662 15.351 1.00 0.12 C ATOM 1790 C MET B 30 24.645 25.395 14.818 1.00 0.10 C ATOM 1791 O MET B 30 24.048 24.632 15.551 1.00 0.13 O ATOM 1792 CB MET B 30 24.275 27.781 15.465 1.00 0.16 C ATOM 1793 CG MET B 30 24.807 28.895 16.365 1.00 0.19 C ATOM 1794 SD MET B 30 26.330 29.573 15.654 1.00 1.23 S ATOM 1795 CE MET B 30 27.303 29.629 17.180 1.00 0.22 C ATOM 0 H MET B 30 26.293 28.016 14.026 1.00 0.10 H new ATOM 0 HA MET B 30 25.747 26.476 16.334 1.00 0.12 H new ATOM 0 HB2 MET B 30 24.046 28.179 14.476 1.00 0.16 H new ATOM 0 HB3 MET B 30 23.345 27.385 15.873 1.00 0.16 H new ATOM 0 HG2 MET B 30 24.060 29.682 16.468 1.00 0.19 H new ATOM 0 HG3 MET B 30 25.001 28.507 17.365 1.00 0.19 H new ATOM 0 HE1 MET B 30 28.152 30.299 17.046 1.00 0.22 H new ATOM 0 HE2 MET B 30 26.679 29.993 17.996 1.00 0.22 H new ATOM 0 HE3 MET B 30 27.665 28.629 17.418 1.00 0.22 H new ATOM 1805 N TYR B 31 24.746 25.173 13.536 1.00 0.08 N ATOM 1806 CA TYR B 31 24.124 23.966 12.925 1.00 0.08 C ATOM 1807 C TYR B 31 24.964 22.732 13.265 1.00 0.08 C ATOM 1808 O TYR B 31 24.443 21.687 13.600 1.00 0.09 O ATOM 1809 CB TYR B 31 24.068 24.155 11.403 1.00 0.09 C ATOM 1810 CG TYR B 31 23.683 22.861 10.725 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.334 22.548 10.522 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.679 21.978 10.293 1.00 0.10 C ATOM 1813 CE1 TYR B 31 21.982 21.351 9.887 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.328 20.781 9.657 1.00 0.11 C ATOM 1815 CZ TYR B 31 22.979 20.467 9.455 1.00 0.11 C ATOM 1816 OH TYR B 31 22.631 19.288 8.827 1.00 0.13 O ATOM 0 H TYR B 31 25.237 25.782 12.881 1.00 0.08 H new ATOM 0 HA TYR B 31 23.116 23.827 13.315 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.346 24.933 11.153 1.00 0.09 H new ATOM 0 HB3 TYR B 31 25.038 24.491 11.036 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.565 23.229 10.855 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.720 22.220 10.450 1.00 0.10 H new ATOM 0 HE1 TYR B 31 20.941 21.109 9.730 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.097 20.101 9.323 1.00 0.11 H new ATOM 0 HH TYR B 31 23.442 18.791 8.591 1.00 0.13 H new ATOM 1826 N VAL B 32 26.261 22.842 13.176 1.00 0.08 N ATOM 1827 CA VAL B 32 27.132 21.674 13.488 1.00 0.08 C ATOM 1828 C VAL B 32 27.077 21.378 14.989 1.00 0.08 C ATOM 1829 O VAL B 32 26.816 20.268 15.403 1.00 0.10 O ATOM 1830 CB VAL B 32 28.575 21.990 13.086 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.459 20.772 13.366 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.636 22.338 11.591 1.00 0.08 C ATOM 0 H VAL B 32 26.755 23.691 12.901 1.00 0.08 H new ATOM 0 HA VAL B 32 26.780 20.804 12.933 1.00 0.08 H new ATOM 0 HB VAL B 32 28.932 22.841 13.665 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.487 20.995 13.080 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.422 20.532 14.429 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.099 19.921 12.789 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.665 22.562 11.311 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.277 21.492 11.005 1.00 0.08 H new ATOM 0 HG23 VAL B 32 28.009 23.208 11.394 1.00 0.08 H new ATOM 1842 N ILE B 33 27.327 22.362 15.806 1.00 0.08 N ATOM 1843 CA ILE B 33 27.296 22.142 17.279 1.00 0.08 C ATOM 1844 C ILE B 33 26.040 21.335 17.663 1.00 0.09 C ATOM 1845 O ILE B 33 26.138 20.283 18.263 1.00 0.10 O ATOM 1846 CB ILE B 33 27.329 23.512 17.966 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.731 24.108 17.791 1.00 0.09 C ATOM 1848 CG2 ILE B 33 27.030 23.370 19.455 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.752 25.575 18.229 1.00 0.08 C ATOM 0 H ILE B 33 27.553 23.314 15.516 1.00 0.08 H new ATOM 0 HA ILE B 33 28.160 21.563 17.605 1.00 0.08 H new ATOM 0 HB ILE B 33 26.575 24.159 17.518 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.450 23.537 18.378 1.00 0.09 H new ATOM 0 HG13 ILE B 33 29.038 24.030 16.748 1.00 0.09 H new ATOM 0 HG21 ILE B 33 27.058 24.352 19.927 1.00 0.09 H new ATOM 0 HG22 ILE B 33 26.041 22.931 19.587 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.778 22.725 19.916 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.755 25.980 18.097 1.00 0.08 H new ATOM 0 HD12 ILE B 33 28.048 26.146 17.623 1.00 0.08 H new ATOM 0 HD13 ILE B 33 28.467 25.645 19.279 1.00 0.08 H new ATOM 1861 N LEU B 34 24.866 21.792 17.305 1.00 0.08 N ATOM 1862 CA LEU B 34 23.626 21.017 17.634 1.00 0.09 C ATOM 1863 C LEU B 34 23.734 19.620 16.993 1.00 0.12 C ATOM 1864 O LEU B 34 23.247 18.646 17.529 1.00 0.16 O ATOM 1865 CB LEU B 34 22.399 21.777 17.047 1.00 0.10 C ATOM 1866 CG LEU B 34 21.526 22.546 18.107 1.00 0.10 C ATOM 1867 CD1 LEU B 34 22.275 22.870 19.414 1.00 0.10 C ATOM 1868 CD2 LEU B 34 21.044 23.861 17.482 1.00 0.11 C ATOM 0 H LEU B 34 24.711 22.665 16.801 1.00 0.08 H new ATOM 0 HA LEU B 34 23.509 20.912 18.713 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.754 22.491 16.304 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.763 21.062 16.524 1.00 0.10 H new ATOM 0 HG LEU B 34 20.699 21.887 18.372 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.608 23.400 20.094 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.608 21.944 19.882 1.00 0.10 H new ATOM 0 HD13 LEU B 34 23.139 23.496 19.192 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.437 24.406 18.205 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.905 24.467 17.201 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.447 23.645 16.596 1.00 0.11 H new ATOM 1880 N LYS B 35 24.356 19.515 15.851 1.00 0.13 N ATOM 1881 CA LYS B 35 24.471 18.181 15.189 1.00 0.17 C ATOM 1882 C LYS B 35 25.192 17.193 16.111 1.00 0.19 C ATOM 1883 O LYS B 35 24.858 16.026 16.163 1.00 0.28 O ATOM 1884 CB LYS B 35 25.257 18.325 13.880 1.00 0.16 C ATOM 1885 CG LYS B 35 25.017 17.097 12.996 1.00 0.19 C ATOM 1886 CD LYS B 35 26.058 17.063 11.876 1.00 0.26 C ATOM 1887 CE LYS B 35 25.704 15.959 10.879 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.862 15.719 9.973 1.00 1.58 N ATOM 0 H LYS B 35 24.788 20.290 15.348 1.00 0.13 H new ATOM 0 HA LYS B 35 23.471 17.803 14.977 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.947 19.229 13.356 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.321 18.430 14.093 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.080 16.188 13.594 1.00 0.19 H new ATOM 0 HG3 LYS B 35 24.013 17.131 12.573 1.00 0.19 H new ATOM 0 HD2 LYS B 35 26.093 18.027 11.369 1.00 0.26 H new ATOM 0 HD3 LYS B 35 27.050 16.886 12.293 1.00 0.26 H new ATOM 0 HE2 LYS B 35 25.448 15.042 11.411 1.00 0.70 H new ATOM 0 HE3 LYS B 35 24.827 16.246 10.298 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 26.622 14.968 9.294 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 27.086 16.594 9.457 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 27.687 15.427 10.534 1.00 1.58 H new ATOM 1902 N ASP B 36 26.183 17.643 16.830 1.00 0.23 N ATOM 1903 CA ASP B 36 26.928 16.721 17.737 1.00 0.28 C ATOM 1904 C ASP B 36 26.232 16.644 19.097 1.00 0.26 C ATOM 1905 O ASP B 36 26.173 15.601 19.717 1.00 0.39 O ATOM 1906 CB ASP B 36 28.350 17.245 17.932 1.00 0.34 C ATOM 1907 CG ASP B 36 29.073 17.277 16.584 1.00 1.23 C ATOM 1908 OD1 ASP B 36 29.105 16.250 15.926 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.583 18.328 16.232 1.00 1.96 O ATOM 0 H ASP B 36 26.510 18.609 16.830 1.00 0.23 H new ATOM 0 HA ASP B 36 26.954 15.727 17.290 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.324 18.244 18.366 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.891 16.608 18.631 1.00 0.34 H new ATOM 1914 N ALA B 37 25.719 17.743 19.572 1.00 0.21 N ATOM 1915 CA ALA B 37 25.044 17.741 20.899 1.00 0.21 C ATOM 1916 C ALA B 37 23.651 17.134 20.778 1.00 0.20 C ATOM 1917 O ALA B 37 22.725 17.562 21.438 1.00 0.24 O ATOM 1918 CB ALA B 37 24.907 19.179 21.387 1.00 0.22 C ATOM 0 H ALA B 37 25.738 18.646 19.097 1.00 0.21 H new ATOM 0 HA ALA B 37 25.637 17.153 21.600 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.413 19.188 22.359 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.896 19.628 21.478 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.313 19.750 20.673 1.00 0.22 H new ATOM 1924 N ASP B 38 23.475 16.157 19.938 1.00 0.20 N ATOM 1925 CA ASP B 38 22.120 15.566 19.794 1.00 0.21 C ATOM 1926 C ASP B 38 21.135 16.708 19.527 1.00 0.18 C ATOM 1927 O ASP B 38 19.937 16.569 19.672 1.00 0.21 O ATOM 1928 CB ASP B 38 21.747 14.833 21.093 1.00 0.28 C ATOM 1929 CG ASP B 38 20.720 13.735 20.799 1.00 1.00 C ATOM 1930 OD1 ASP B 38 20.083 13.809 19.761 1.00 1.86 O ATOM 1931 OD2 ASP B 38 20.589 12.839 21.617 1.00 1.59 O ATOM 0 H ASP B 38 24.201 15.746 19.351 1.00 0.20 H new ATOM 0 HA ASP B 38 22.092 14.851 18.971 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.639 14.397 21.543 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.339 15.540 21.815 1.00 0.28 H new ATOM 1936 N ALA B 39 21.660 17.841 19.149 1.00 0.14 N ATOM 1937 CA ALA B 39 20.814 19.028 18.873 1.00 0.14 C ATOM 1938 C ALA B 39 20.155 19.501 20.170 1.00 0.15 C ATOM 1939 O ALA B 39 19.275 20.338 20.162 1.00 0.18 O ATOM 1940 CB ALA B 39 19.749 18.677 17.837 1.00 0.16 C ATOM 0 H ALA B 39 22.660 17.993 19.018 1.00 0.14 H new ATOM 0 HA ALA B 39 21.436 19.831 18.477 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.131 19.553 17.639 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.231 18.357 16.913 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.123 17.870 18.218 1.00 0.16 H new ATOM 1946 N ASN B 40 20.581 18.976 21.287 1.00 0.15 N ATOM 1947 CA ASN B 40 19.985 19.401 22.584 1.00 0.18 C ATOM 1948 C ASN B 40 20.613 20.731 23.001 1.00 0.15 C ATOM 1949 O ASN B 40 21.704 20.775 23.534 1.00 0.15 O ATOM 1950 CB ASN B 40 20.266 18.335 23.651 1.00 0.23 C ATOM 1951 CG ASN B 40 19.240 18.445 24.784 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.760 17.446 25.283 1.00 1.90 O ATOM 1953 ND2 ASN B 40 18.884 19.624 25.213 1.00 1.32 N ATOM 0 H ASN B 40 21.316 18.272 21.356 1.00 0.15 H new ATOM 0 HA ASN B 40 18.907 19.521 22.478 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.222 17.341 23.205 1.00 0.23 H new ATOM 0 HB3 ASN B 40 21.273 18.462 24.048 1.00 0.23 H new ATOM 0 HD21 ASN B 40 18.203 19.708 25.967 1.00 1.32 H new ATOM 0 HD22 ASN B 40 19.287 20.462 24.794 1.00 1.32 H new ATOM 1960 N ILE B 41 19.938 21.814 22.753 1.00 0.15 N ATOM 1961 CA ILE B 41 20.497 23.141 23.122 1.00 0.15 C ATOM 1962 C ILE B 41 21.038 23.103 24.553 1.00 0.15 C ATOM 1963 O ILE B 41 22.154 23.506 24.814 1.00 0.14 O ATOM 1964 CB ILE B 41 19.398 24.193 22.991 1.00 0.19 C ATOM 1965 CG1 ILE B 41 19.035 24.306 21.501 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.911 25.533 23.538 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.943 25.352 21.280 1.00 0.24 C ATOM 0 H ILE B 41 19.020 21.838 22.309 1.00 0.15 H new ATOM 0 HA ILE B 41 21.321 23.395 22.455 1.00 0.15 H new ATOM 0 HB ILE B 41 18.512 23.914 23.562 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.922 24.574 20.927 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.696 23.338 21.131 1.00 0.21 H new ATOM 0 HG21 ILE B 41 19.129 26.287 23.446 1.00 0.21 H new ATOM 0 HG22 ILE B 41 20.182 25.418 24.587 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.786 25.847 22.969 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.706 25.411 20.218 1.00 0.24 H new ATOM 0 HD12 ILE B 41 17.050 25.068 21.836 1.00 0.24 H new ATOM 0 HD13 ILE B 41 18.294 26.323 21.628 1.00 0.24 H new ATOM 1979 N GLU B 42 20.261 22.623 25.480 1.00 0.17 N ATOM 1980 CA GLU B 42 20.733 22.560 26.886 1.00 0.17 C ATOM 1981 C GLU B 42 22.104 21.887 26.940 1.00 0.16 C ATOM 1982 O GLU B 42 22.915 22.204 27.779 1.00 0.18 O ATOM 1983 CB GLU B 42 19.736 21.760 27.725 1.00 0.20 C ATOM 1984 CG GLU B 42 18.489 22.608 27.980 1.00 0.30 C ATOM 1985 CD GLU B 42 17.409 21.743 28.632 1.00 1.03 C ATOM 1986 OE1 GLU B 42 16.874 20.884 27.951 1.00 1.78 O ATOM 1987 OE2 GLU B 42 17.136 21.954 29.803 1.00 1.65 O ATOM 0 H GLU B 42 19.317 22.271 25.323 1.00 0.17 H new ATOM 0 HA GLU B 42 20.813 23.571 27.285 1.00 0.17 H new ATOM 0 HB2 GLU B 42 19.464 20.840 27.207 1.00 0.20 H new ATOM 0 HB3 GLU B 42 20.191 21.470 28.672 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.735 23.450 28.627 1.00 0.30 H new ATOM 0 HG3 GLU B 42 18.120 23.023 27.042 1.00 0.30 H new ATOM 1994 N GLU B 43 22.372 20.961 26.054 1.00 0.16 N ATOM 1995 CA GLU B 43 23.704 20.276 26.062 1.00 0.16 C ATOM 1996 C GLU B 43 24.693 21.074 25.205 1.00 0.14 C ATOM 1997 O GLU B 43 25.848 21.229 25.550 1.00 0.20 O ATOM 1998 CB GLU B 43 23.564 18.862 25.492 1.00 0.18 C ATOM 1999 CG GLU B 43 24.793 18.030 25.868 1.00 0.30 C ATOM 2000 CD GLU B 43 24.725 17.657 27.350 1.00 1.21 C ATOM 2001 OE1 GLU B 43 23.754 18.026 27.989 1.00 1.96 O ATOM 2002 OE2 GLU B 43 25.645 17.008 27.820 1.00 1.89 O ATOM 0 H GLU B 43 21.729 20.649 25.326 1.00 0.16 H new ATOM 0 HA GLU B 43 24.071 20.217 27.087 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.661 18.391 25.880 1.00 0.18 H new ATOM 0 HB3 GLU B 43 23.460 18.905 24.408 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.835 17.128 25.257 1.00 0.30 H new ATOM 0 HG3 GLU B 43 25.703 18.595 25.666 1.00 0.30 H new ATOM 2009 N ALA B 44 24.250 21.573 24.083 1.00 0.12 N ATOM 2010 CA ALA B 44 25.170 22.356 23.204 1.00 0.12 C ATOM 2011 C ALA B 44 25.527 23.682 23.888 1.00 0.12 C ATOM 2012 O ALA B 44 26.668 24.100 23.897 1.00 0.14 O ATOM 2013 CB ALA B 44 24.478 22.638 21.855 1.00 0.13 C ATOM 0 H ALA B 44 23.296 21.474 23.737 1.00 0.12 H new ATOM 0 HA ALA B 44 26.081 21.783 23.029 1.00 0.12 H new ATOM 0 HB1 ALA B 44 25.149 23.209 21.214 1.00 0.13 H new ATOM 0 HB2 ALA B 44 24.229 21.694 21.370 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.566 23.210 22.026 1.00 0.13 H new ATOM 2019 N SER B 45 24.558 24.351 24.443 1.00 0.12 N ATOM 2020 CA SER B 45 24.834 25.657 25.106 1.00 0.16 C ATOM 2021 C SER B 45 25.953 25.500 26.141 1.00 0.15 C ATOM 2022 O SER B 45 26.623 26.453 26.484 1.00 0.16 O ATOM 2023 CB SER B 45 23.562 26.157 25.795 1.00 0.19 C ATOM 2024 OG SER B 45 23.915 26.933 26.933 1.00 0.82 O ATOM 0 H SER B 45 23.584 24.050 24.467 1.00 0.12 H new ATOM 0 HA SER B 45 25.150 26.378 24.353 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.971 26.756 25.102 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.942 25.312 26.095 1.00 0.19 H new ATOM 0 HG SER B 45 23.102 27.255 27.374 1.00 0.82 H new ATOM 2030 N ARG B 46 26.166 24.314 26.645 1.00 0.17 N ATOM 2031 CA ARG B 46 27.248 24.130 27.655 1.00 0.20 C ATOM 2032 C ARG B 46 28.598 24.076 26.932 1.00 0.17 C ATOM 2033 O ARG B 46 29.584 24.614 27.396 1.00 0.23 O ATOM 2034 CB ARG B 46 27.019 22.829 28.450 1.00 0.24 C ATOM 2035 CG ARG B 46 25.524 22.499 28.511 1.00 0.84 C ATOM 2036 CD ARG B 46 24.721 23.695 29.057 1.00 1.21 C ATOM 2037 NE ARG B 46 25.568 24.490 29.992 1.00 1.63 N ATOM 2038 CZ ARG B 46 25.209 25.698 30.333 1.00 2.08 C ATOM 2039 NH1 ARG B 46 24.114 26.216 29.847 1.00 2.50 N ATOM 2040 NH2 ARG B 46 25.945 26.387 31.162 1.00 2.80 N ATOM 0 H ARG B 46 25.643 23.472 26.404 1.00 0.17 H new ATOM 0 HA ARG B 46 27.240 24.965 28.355 1.00 0.20 H new ATOM 0 HB2 ARG B 46 27.561 22.008 27.981 1.00 0.24 H new ATOM 0 HB3 ARG B 46 27.416 22.937 29.459 1.00 0.24 H new ATOM 0 HG2 ARG B 46 25.164 22.237 27.516 1.00 0.84 H new ATOM 0 HG3 ARG B 46 25.365 21.628 29.147 1.00 0.84 H new ATOM 0 HD2 ARG B 46 24.384 24.324 28.233 1.00 1.21 H new ATOM 0 HD3 ARG B 46 23.829 23.340 29.573 1.00 1.21 H new ATOM 0 HE ARG B 46 26.429 24.090 30.365 1.00 1.63 H new ATOM 0 HH11 ARG B 46 23.538 25.677 29.200 1.00 2.50 H new ATOM 0 HH12 ARG B 46 23.834 27.160 30.114 1.00 2.50 H new ATOM 0 HH21 ARG B 46 26.800 25.982 31.543 1.00 2.80 H new ATOM 0 HH22 ARG B 46 25.665 27.331 31.429 1.00 2.80 H new ATOM 2054 N ARG B 47 28.646 23.435 25.797 1.00 0.13 N ATOM 2055 CA ARG B 47 29.928 23.352 25.042 1.00 0.12 C ATOM 2056 C ARG B 47 30.394 24.764 24.691 1.00 0.11 C ATOM 2057 O ARG B 47 31.453 25.200 25.095 1.00 0.12 O ATOM 2058 CB ARG B 47 29.713 22.554 23.754 1.00 0.15 C ATOM 2059 CG ARG B 47 28.958 21.260 24.068 1.00 0.32 C ATOM 2060 CD ARG B 47 28.830 20.414 22.797 1.00 0.54 C ATOM 2061 NE ARG B 47 28.521 19.006 23.172 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.093 18.169 22.267 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.942 18.563 21.033 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.818 16.937 22.598 1.00 1.62 N ATOM 0 H ARG B 47 27.853 22.965 25.360 1.00 0.13 H new ATOM 0 HA ARG B 47 30.681 22.856 25.653 1.00 0.12 H new ATOM 0 HB2 ARG B 47 29.150 23.150 23.036 1.00 0.15 H new ATOM 0 HB3 ARG B 47 30.674 22.323 23.293 1.00 0.15 H new ATOM 0 HG2 ARG B 47 29.486 20.698 24.839 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.969 21.492 24.463 1.00 0.32 H new ATOM 0 HD2 ARG B 47 28.042 20.814 22.158 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.756 20.455 22.224 1.00 0.54 H new ATOM 0 HE ARG B 47 28.644 18.696 24.136 1.00 0.95 H new ATOM 0 HH11 ARG B 47 28.159 19.526 20.775 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.607 17.908 20.326 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.938 16.629 23.563 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.483 16.282 21.892 1.00 1.62 H new ATOM 2078 N ILE B 48 29.600 25.484 23.949 1.00 0.10 N ATOM 2079 CA ILE B 48 29.978 26.877 23.574 1.00 0.09 C ATOM 2080 C ILE B 48 30.442 27.620 24.825 1.00 0.10 C ATOM 2081 O ILE B 48 31.557 28.097 24.900 1.00 0.10 O ATOM 2082 CB ILE B 48 28.765 27.578 22.968 1.00 0.10 C ATOM 2083 CG1 ILE B 48 28.173 26.687 21.871 1.00 0.10 C ATOM 2084 CG2 ILE B 48 29.201 28.916 22.371 1.00 0.10 C ATOM 2085 CD1 ILE B 48 27.069 27.438 21.128 1.00 0.10 C ATOM 0 H ILE B 48 28.702 25.167 23.584 1.00 0.10 H new ATOM 0 HA ILE B 48 30.786 26.864 22.843 1.00 0.09 H new ATOM 0 HB ILE B 48 28.013 27.757 23.737 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.955 26.388 21.173 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.771 25.774 22.310 1.00 0.10 H new ATOM 0 HG21 ILE B 48 28.337 29.420 21.937 1.00 0.10 H new ATOM 0 HG22 ILE B 48 29.630 29.541 23.154 1.00 0.10 H new ATOM 0 HG23 ILE B 48 29.947 28.743 21.596 1.00 0.10 H new ATOM 0 HD11 ILE B 48 26.653 26.798 20.350 1.00 0.10 H new ATOM 0 HD12 ILE B 48 26.282 27.715 21.829 1.00 0.10 H new ATOM 0 HD13 ILE B 48 27.483 28.338 20.674 1.00 0.10 H new ATOM 2097 N GLU B 49 29.602 27.701 25.819 1.00 0.10 N ATOM 2098 CA GLU B 49 30.002 28.388 27.079 1.00 0.11 C ATOM 2099 C GLU B 49 31.349 27.831 27.525 1.00 0.11 C ATOM 2100 O GLU B 49 32.334 28.536 27.609 1.00 0.12 O ATOM 2101 CB GLU B 49 28.967 28.083 28.157 1.00 0.13 C ATOM 2102 CG GLU B 49 27.738 28.983 27.978 1.00 0.14 C ATOM 2103 CD GLU B 49 28.020 30.370 28.564 1.00 0.16 C ATOM 2104 OE1 GLU B 49 29.180 30.669 28.794 1.00 1.10 O ATOM 2105 OE2 GLU B 49 27.070 31.108 28.771 1.00 1.07 O ATOM 0 H GLU B 49 28.655 27.321 25.813 1.00 0.10 H new ATOM 0 HA GLU B 49 30.068 29.464 26.918 1.00 0.11 H new ATOM 0 HB2 GLU B 49 28.671 27.035 28.102 1.00 0.13 H new ATOM 0 HB3 GLU B 49 29.402 28.240 29.144 1.00 0.13 H new ATOM 0 HG2 GLU B 49 27.490 29.069 26.920 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.875 28.538 28.473 1.00 0.14 H new ATOM 2112 N GLU B 50 31.397 26.553 27.786 1.00 0.12 N ATOM 2113 CA GLU B 50 32.678 25.930 28.197 1.00 0.12 C ATOM 2114 C GLU B 50 33.712 26.287 27.141 1.00 0.11 C ATOM 2115 O GLU B 50 34.897 26.276 27.380 1.00 0.11 O ATOM 2116 CB GLU B 50 32.514 24.410 28.275 1.00 0.14 C ATOM 2117 CG GLU B 50 33.739 23.795 28.955 1.00 0.17 C ATOM 2118 CD GLU B 50 33.481 22.311 29.224 1.00 1.14 C ATOM 2119 OE1 GLU B 50 32.767 22.015 30.167 1.00 1.78 O ATOM 2120 OE2 GLU B 50 34.003 21.495 28.482 1.00 1.97 O ATOM 0 H GLU B 50 30.602 25.917 27.731 1.00 0.12 H new ATOM 0 HA GLU B 50 32.988 26.290 29.178 1.00 0.12 H new ATOM 0 HB2 GLU B 50 31.612 24.160 28.833 1.00 0.14 H new ATOM 0 HB3 GLU B 50 32.395 23.995 27.274 1.00 0.14 H new ATOM 0 HG2 GLU B 50 34.618 23.913 28.321 1.00 0.17 H new ATOM 0 HG3 GLU B 50 33.948 24.314 29.890 1.00 0.17 H new ATOM 2127 N GLY B 51 33.248 26.632 25.973 1.00 0.10 N ATOM 2128 CA GLY B 51 34.186 27.024 24.879 1.00 0.09 C ATOM 2129 C GLY B 51 34.642 28.461 25.130 1.00 0.09 C ATOM 2130 O GLY B 51 35.811 28.731 25.318 1.00 0.10 O ATOM 0 H GLY B 51 32.259 26.660 25.726 1.00 0.10 H new ATOM 0 HA2 GLY B 51 35.044 26.352 24.855 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.693 26.946 23.910 1.00 0.09 H new ATOM 2134 N GLN B 52 33.714 29.382 25.160 1.00 0.10 N ATOM 2135 CA GLN B 52 34.068 30.810 25.431 1.00 0.11 C ATOM 2136 C GLN B 52 35.011 30.855 26.625 1.00 0.11 C ATOM 2137 O GLN B 52 36.022 31.529 26.617 1.00 0.13 O ATOM 2138 CB GLN B 52 32.792 31.586 25.761 1.00 0.13 C ATOM 2139 CG GLN B 52 31.798 31.439 24.607 1.00 0.19 C ATOM 2140 CD GLN B 52 32.301 32.230 23.403 1.00 0.54 C ATOM 2141 OE1 GLN B 52 33.237 32.997 23.511 1.00 1.37 O ATOM 2142 NE2 GLN B 52 31.715 32.075 22.250 1.00 0.74 N ATOM 0 H GLN B 52 32.721 29.207 25.008 1.00 0.10 H new ATOM 0 HA GLN B 52 34.548 31.254 24.559 1.00 0.11 H new ATOM 0 HB2 GLN B 52 32.353 31.210 26.685 1.00 0.13 H new ATOM 0 HB3 GLN B 52 33.025 32.638 25.924 1.00 0.13 H new ATOM 0 HG2 GLN B 52 31.683 30.388 24.343 1.00 0.19 H new ATOM 0 HG3 GLN B 52 30.816 31.801 24.910 1.00 0.19 H new ATOM 0 HE21 GLN B 52 30.929 31.431 22.160 1.00 0.74 H new ATOM 0 HE22 GLN B 52 32.042 32.598 21.437 1.00 0.74 H new ATOM 2151 N TYR B 53 34.686 30.122 27.645 1.00 0.11 N ATOM 2152 CA TYR B 53 35.561 30.092 28.846 1.00 0.13 C ATOM 2153 C TYR B 53 36.956 29.598 28.431 1.00 0.13 C ATOM 2154 O TYR B 53 37.960 30.142 28.845 1.00 0.16 O ATOM 2155 CB TYR B 53 34.943 29.157 29.907 1.00 0.14 C ATOM 2156 CG TYR B 53 35.989 28.732 30.921 1.00 0.17 C ATOM 2157 CD1 TYR B 53 36.907 27.737 30.584 1.00 0.17 C ATOM 2158 CD2 TYR B 53 36.039 29.328 32.186 1.00 0.22 C ATOM 2159 CE1 TYR B 53 37.880 27.332 31.495 1.00 0.22 C ATOM 2160 CE2 TYR B 53 37.014 28.923 33.109 1.00 0.26 C ATOM 2161 CZ TYR B 53 37.937 27.925 32.762 1.00 0.25 C ATOM 2162 OH TYR B 53 38.894 27.523 33.671 1.00 0.30 O ATOM 0 H TYR B 53 33.850 29.540 27.701 1.00 0.11 H new ATOM 0 HA TYR B 53 35.651 31.090 29.276 1.00 0.13 H new ATOM 0 HB2 TYR B 53 34.123 29.666 30.414 1.00 0.14 H new ATOM 0 HB3 TYR B 53 34.521 28.277 29.422 1.00 0.14 H new ATOM 0 HD1 TYR B 53 36.863 27.277 29.608 1.00 0.17 H new ATOM 0 HD2 TYR B 53 35.329 30.098 32.451 1.00 0.22 H new ATOM 0 HE1 TYR B 53 38.588 26.563 31.225 1.00 0.22 H new ATOM 0 HE2 TYR B 53 37.054 29.379 34.087 1.00 0.26 H new ATOM 0 HH TYR B 53 39.255 28.307 34.135 1.00 0.30 H new ATOM 2172 N VAL B 54 37.031 28.570 27.621 1.00 0.11 N ATOM 2173 CA VAL B 54 38.373 28.059 27.203 1.00 0.12 C ATOM 2174 C VAL B 54 39.139 29.178 26.490 1.00 0.12 C ATOM 2175 O VAL B 54 40.156 29.649 26.959 1.00 0.13 O ATOM 2176 CB VAL B 54 38.234 26.869 26.230 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.640 26.449 25.778 1.00 0.13 C ATOM 2178 CG2 VAL B 54 37.525 25.661 26.904 1.00 0.12 C ATOM 0 H VAL B 54 36.231 28.068 27.235 1.00 0.11 H new ATOM 0 HA VAL B 54 38.906 27.730 28.095 1.00 0.12 H new ATOM 0 HB VAL B 54 37.627 27.178 25.379 1.00 0.11 H new ATOM 0 HG11 VAL B 54 39.565 25.608 25.089 1.00 0.13 H new ATOM 0 HG12 VAL B 54 40.126 27.286 25.277 1.00 0.13 H new ATOM 0 HG13 VAL B 54 40.229 26.154 26.647 1.00 0.13 H new ATOM 0 HG21 VAL B 54 37.444 24.842 26.190 1.00 0.12 H new ATOM 0 HG22 VAL B 54 38.105 25.334 27.767 1.00 0.12 H new ATOM 0 HG23 VAL B 54 36.528 25.959 27.228 1.00 0.12 H new ATOM 2188 N VAL B 55 38.655 29.596 25.353 1.00 0.11 N ATOM 2189 CA VAL B 55 39.344 30.676 24.590 1.00 0.11 C ATOM 2190 C VAL B 55 39.563 31.882 25.502 1.00 0.14 C ATOM 2191 O VAL B 55 40.670 32.350 25.677 1.00 0.17 O ATOM 2192 CB VAL B 55 38.474 31.084 23.394 1.00 0.11 C ATOM 2193 CG1 VAL B 55 39.254 32.045 22.491 1.00 0.13 C ATOM 2194 CG2 VAL B 55 38.092 29.835 22.596 1.00 0.10 C ATOM 0 H VAL B 55 37.807 29.234 24.917 1.00 0.11 H new ATOM 0 HA VAL B 55 40.308 30.316 24.232 1.00 0.11 H new ATOM 0 HB VAL B 55 37.573 31.580 23.755 1.00 0.11 H new ATOM 0 HG11 VAL B 55 38.633 32.332 21.643 1.00 0.13 H new ATOM 0 HG12 VAL B 55 39.528 32.935 23.058 1.00 0.13 H new ATOM 0 HG13 VAL B 55 40.157 31.553 22.129 1.00 0.13 H new ATOM 0 HG21 VAL B 55 37.474 30.122 21.745 1.00 0.10 H new ATOM 0 HG22 VAL B 55 38.996 29.342 22.238 1.00 0.10 H new ATOM 0 HG23 VAL B 55 37.534 29.151 23.236 1.00 0.10 H new ATOM 2204 N ASN B 56 38.513 32.388 26.079 1.00 0.16 N ATOM 2205 CA ASN B 56 38.650 33.568 26.979 1.00 0.20 C ATOM 2206 C ASN B 56 39.675 33.270 28.077 1.00 0.22 C ATOM 2207 O ASN B 56 40.477 34.109 28.430 1.00 0.31 O ATOM 2208 CB ASN B 56 37.296 33.878 27.622 1.00 0.26 C ATOM 2209 CG ASN B 56 37.363 35.236 28.323 1.00 0.52 C ATOM 2210 OD1 ASN B 56 38.400 35.869 28.349 1.00 1.35 O ATOM 2211 ND2 ASN B 56 36.293 35.714 28.897 1.00 0.91 N ATOM 0 H ASN B 56 37.562 32.036 25.967 1.00 0.16 H new ATOM 0 HA ASN B 56 38.986 34.425 26.396 1.00 0.20 H new ATOM 0 HB2 ASN B 56 36.514 33.887 26.862 1.00 0.26 H new ATOM 0 HB3 ASN B 56 37.035 33.099 28.339 1.00 0.26 H new ATOM 0 HD21 ASN B 56 36.327 36.619 29.367 1.00 0.91 H new ATOM 0 HD22 ASN B 56 35.422 35.183 28.875 1.00 0.91 H new ATOM 2218 N GLU B 57 39.652 32.086 28.628 1.00 0.19 N ATOM 2219 CA GLU B 57 40.624 31.753 29.711 1.00 0.22 C ATOM 2220 C GLU B 57 42.017 31.527 29.118 1.00 0.22 C ATOM 2221 O GLU B 57 43.009 31.985 29.650 1.00 0.27 O ATOM 2222 CB GLU B 57 40.178 30.481 30.433 1.00 0.25 C ATOM 2223 CG GLU B 57 41.217 30.111 31.493 1.00 0.55 C ATOM 2224 CD GLU B 57 40.641 29.049 32.429 1.00 1.65 C ATOM 2225 OE1 GLU B 57 40.510 27.916 31.997 1.00 2.43 O ATOM 2226 OE2 GLU B 57 40.341 29.387 33.562 1.00 2.39 O ATOM 0 H GLU B 57 39.006 31.338 28.377 1.00 0.19 H new ATOM 0 HA GLU B 57 40.660 32.584 30.415 1.00 0.22 H new ATOM 0 HB2 GLU B 57 39.205 30.636 30.899 1.00 0.25 H new ATOM 0 HB3 GLU B 57 40.063 29.665 29.719 1.00 0.25 H new ATOM 0 HG2 GLU B 57 42.122 29.736 31.014 1.00 0.55 H new ATOM 0 HG3 GLU B 57 41.501 30.996 32.062 1.00 0.55 H new ATOM 2233 N TYR B 58 42.103 30.814 28.029 1.00 0.20 N ATOM 2234 CA TYR B 58 43.435 30.549 27.415 1.00 0.24 C ATOM 2235 C TYR B 58 44.256 31.831 27.347 1.00 0.24 C ATOM 2236 O TYR B 58 45.350 31.910 27.868 1.00 0.33 O ATOM 2237 CB TYR B 58 43.251 29.980 26.009 1.00 0.29 C ATOM 2238 CG TYR B 58 44.597 29.918 25.319 1.00 0.97 C ATOM 2239 CD1 TYR B 58 45.629 29.149 25.865 1.00 2.18 C ATOM 2240 CD2 TYR B 58 44.812 30.634 24.146 1.00 0.61 C ATOM 2241 CE1 TYR B 58 46.875 29.094 25.233 1.00 2.88 C ATOM 2242 CE2 TYR B 58 46.056 30.582 23.511 1.00 1.22 C ATOM 2243 CZ TYR B 58 47.089 29.812 24.053 1.00 2.36 C ATOM 2244 OH TYR B 58 48.317 29.761 23.426 1.00 3.06 O ATOM 0 H TYR B 58 41.309 30.403 27.538 1.00 0.20 H new ATOM 0 HA TYR B 58 43.967 29.826 28.033 1.00 0.24 H new ATOM 0 HB2 TYR B 58 42.809 28.985 26.061 1.00 0.29 H new ATOM 0 HB3 TYR B 58 42.564 30.604 25.438 1.00 0.29 H new ATOM 0 HD1 TYR B 58 45.463 28.596 26.778 1.00 2.18 H new ATOM 0 HD2 TYR B 58 44.016 31.231 23.725 1.00 0.61 H new ATOM 0 HE1 TYR B 58 47.670 28.498 25.656 1.00 2.88 H new ATOM 0 HE2 TYR B 58 46.219 31.138 22.600 1.00 1.22 H new ATOM 0 HH TYR B 58 48.761 28.915 23.644 1.00 3.06 H new ATOM 2254 N SER B 59 43.751 32.821 26.692 1.00 0.27 N ATOM 2255 CA SER B 59 44.516 34.084 26.568 1.00 0.34 C ATOM 2256 C SER B 59 44.663 34.744 27.946 1.00 0.37 C ATOM 2257 O SER B 59 45.754 35.066 28.373 1.00 0.52 O ATOM 2258 CB SER B 59 43.783 35.024 25.606 1.00 0.41 C ATOM 2259 OG SER B 59 44.149 34.703 24.270 1.00 1.45 O ATOM 0 H SER B 59 42.840 32.815 26.234 1.00 0.27 H new ATOM 0 HA SER B 59 45.511 33.872 26.177 1.00 0.34 H new ATOM 0 HB2 SER B 59 42.705 34.926 25.734 1.00 0.41 H new ATOM 0 HB3 SER B 59 44.038 36.061 25.827 1.00 0.41 H new ATOM 0 HG SER B 59 43.681 35.301 23.650 1.00 1.45 H new ATOM 2265 N ARG B 60 43.578 34.954 28.641 1.00 0.42 N ATOM 2266 CA ARG B 60 43.666 35.600 29.984 1.00 0.54 C ATOM 2267 C ARG B 60 44.777 34.939 30.803 1.00 0.61 C ATOM 2268 O ARG B 60 45.504 35.595 31.523 1.00 0.78 O ATOM 2269 CB ARG B 60 42.330 35.444 30.720 1.00 0.66 C ATOM 2270 CG ARG B 60 41.220 36.228 29.991 1.00 0.93 C ATOM 2271 CD ARG B 60 41.195 37.686 30.468 1.00 1.26 C ATOM 2272 NE ARG B 60 40.511 37.779 31.804 1.00 1.94 N ATOM 2273 CZ ARG B 60 39.267 37.417 31.970 1.00 2.56 C ATOM 2274 NH1 ARG B 60 38.526 37.097 30.944 1.00 2.77 N ATOM 2275 NH2 ARG B 60 38.748 37.420 33.167 1.00 3.52 N ATOM 0 H ARG B 60 42.636 34.707 28.339 1.00 0.42 H new ATOM 0 HA ARG B 60 43.890 36.659 29.857 1.00 0.54 H new ATOM 0 HB2 ARG B 60 42.061 34.389 30.779 1.00 0.66 H new ATOM 0 HB3 ARG B 60 42.427 35.805 31.744 1.00 0.66 H new ATOM 0 HG2 ARG B 60 41.388 36.193 28.915 1.00 0.93 H new ATOM 0 HG3 ARG B 60 40.253 35.761 30.178 1.00 0.93 H new ATOM 0 HD2 ARG B 60 42.212 38.070 30.544 1.00 1.26 H new ATOM 0 HD3 ARG B 60 40.674 38.307 29.739 1.00 1.26 H new ATOM 0 HE ARG B 60 41.034 38.135 32.604 1.00 1.94 H new ATOM 0 HH11 ARG B 60 38.917 37.128 30.003 1.00 2.77 H new ATOM 0 HH12 ARG B 60 37.556 36.816 31.084 1.00 2.77 H new ATOM 0 HH21 ARG B 60 39.313 37.704 33.967 1.00 3.52 H new ATOM 0 HH22 ARG B 60 37.777 37.138 33.303 1.00 3.52 H new ATOM 2289 N GLN B 61 44.917 33.646 30.701 1.00 0.61 N ATOM 2290 CA GLN B 61 45.983 32.952 31.476 1.00 0.76 C ATOM 2291 C GLN B 61 47.355 33.420 30.989 1.00 0.85 C ATOM 2292 O GLN B 61 48.343 33.311 31.688 1.00 1.06 O ATOM 2293 CB GLN B 61 45.860 31.440 31.279 1.00 0.79 C ATOM 2294 CG GLN B 61 46.738 30.723 32.306 1.00 1.26 C ATOM 2295 CD GLN B 61 46.565 29.210 32.162 1.00 1.65 C ATOM 2296 OE1 GLN B 61 45.886 28.746 31.269 1.00 2.28 O ATOM 2297 NE2 GLN B 61 47.157 28.416 33.012 1.00 2.31 N ATOM 0 H GLN B 61 44.341 33.041 30.116 1.00 0.61 H new ATOM 0 HA GLN B 61 45.872 33.189 32.534 1.00 0.76 H new ATOM 0 HB2 GLN B 61 44.821 31.130 31.392 1.00 0.79 H new ATOM 0 HB3 GLN B 61 46.165 31.167 30.269 1.00 0.79 H new ATOM 0 HG2 GLN B 61 47.783 30.995 32.159 1.00 1.26 H new ATOM 0 HG3 GLN B 61 46.466 31.036 33.314 1.00 1.26 H new ATOM 0 HE21 GLN B 61 47.727 28.806 33.762 1.00 2.31 H new ATOM 0 HE22 GLN B 61 47.049 27.405 32.926 1.00 2.31 H new ATOM 2306 N HIS B 62 47.427 33.941 29.791 1.00 0.79 N ATOM 2307 CA HIS B 62 48.737 34.417 29.250 1.00 0.97 C ATOM 2308 C HIS B 62 48.872 35.925 29.478 1.00 1.01 C ATOM 2309 O HIS B 62 49.721 36.374 30.221 1.00 1.27 O ATOM 2310 CB HIS B 62 48.800 34.121 27.751 1.00 1.05 C ATOM 2311 CG HIS B 62 48.926 32.638 27.542 1.00 1.28 C ATOM 2312 ND1 HIS B 62 49.063 31.751 28.603 1.00 1.77 N ATOM 2313 CD2 HIS B 62 48.934 31.867 26.406 1.00 1.57 C ATOM 2314 CE1 HIS B 62 49.147 30.510 28.088 1.00 1.97 C ATOM 2315 NE2 HIS B 62 49.074 30.530 26.756 1.00 1.83 N ATOM 0 H HIS B 62 46.633 34.058 29.162 1.00 0.79 H new ATOM 0 HA HIS B 62 49.550 33.902 29.761 1.00 0.97 H new ATOM 0 HB2 HIS B 62 47.903 34.494 27.257 1.00 1.05 H new ATOM 0 HB3 HIS B 62 49.649 34.636 27.302 1.00 1.05 H new ATOM 0 HD2 HIS B 62 48.845 32.242 25.397 1.00 1.57 H new ATOM 0 HE1 HIS B 62 49.259 29.612 28.678 1.00 1.97 H new ATOM 0 HE2 HIS B 62 49.113 29.729 26.125 1.00 1.83 H new ATOM 2323 N ASN B 63 48.040 36.709 28.847 1.00 1.00 N ATOM 2324 CA ASN B 63 48.122 38.187 29.028 1.00 1.16 C ATOM 2325 C ASN B 63 47.065 38.866 28.151 1.00 1.28 C ATOM 2326 O ASN B 63 45.923 39.011 28.541 1.00 1.86 O ATOM 2327 CB ASN B 63 49.522 38.676 28.629 1.00 1.33 C ATOM 2328 CG ASN B 63 50.025 37.867 27.432 1.00 1.93 C ATOM 2329 OD1 ASN B 63 49.540 38.025 26.330 1.00 2.59 O ATOM 2330 ND2 ASN B 63 50.985 37.000 27.604 1.00 2.66 N ATOM 0 H ASN B 63 47.307 36.390 28.214 1.00 1.00 H new ATOM 0 HA ASN B 63 47.939 38.438 30.073 1.00 1.16 H new ATOM 0 HB2 ASN B 63 49.490 39.736 28.377 1.00 1.33 H new ATOM 0 HB3 ASN B 63 50.209 38.568 29.468 1.00 1.33 H new ATOM 0 HD21 ASN B 63 51.328 36.455 26.813 1.00 2.66 H new ATOM 0 HD22 ASN B 63 51.392 36.867 28.530 1.00 2.66 H new ATOM 2337 N LEU B 64 47.438 39.286 26.972 1.00 1.29 N ATOM 2338 CA LEU B 64 46.457 39.958 26.073 1.00 1.43 C ATOM 2339 C LEU B 64 45.795 41.118 26.830 1.00 1.74 C ATOM 2340 O LEU B 64 46.272 41.552 27.860 1.00 2.20 O ATOM 2341 CB LEU B 64 45.391 38.939 25.623 1.00 1.43 C ATOM 2342 CG LEU B 64 45.891 38.131 24.408 1.00 1.54 C ATOM 2343 CD1 LEU B 64 45.929 39.012 23.142 1.00 1.59 C ATOM 2344 CD2 LEU B 64 47.294 37.578 24.699 1.00 2.41 C ATOM 0 H LEU B 64 48.380 39.193 26.593 1.00 1.29 H new ATOM 0 HA LEU B 64 46.966 40.348 25.192 1.00 1.43 H new ATOM 0 HB2 LEU B 64 45.157 38.263 26.445 1.00 1.43 H new ATOM 0 HB3 LEU B 64 44.468 39.459 25.366 1.00 1.43 H new ATOM 0 HG LEU B 64 45.201 37.306 24.232 1.00 1.54 H new ATOM 0 HD11 LEU B 64 46.285 38.421 22.298 1.00 1.59 H new ATOM 0 HD12 LEU B 64 44.927 39.384 22.928 1.00 1.59 H new ATOM 0 HD13 LEU B 64 46.602 39.854 23.305 1.00 1.59 H new ATOM 0 HD21 LEU B 64 47.646 37.007 23.839 1.00 2.41 H new ATOM 0 HD22 LEU B 64 47.978 38.404 24.890 1.00 2.41 H new ATOM 0 HD23 LEU B 64 47.255 36.929 25.574 1.00 2.41 H new ATOM 2356 N ASN B 65 44.698 41.621 26.325 1.00 2.14 N ATOM 2357 CA ASN B 65 43.991 42.747 26.995 1.00 2.59 C ATOM 2358 C ASN B 65 42.488 42.485 26.907 1.00 3.01 C ATOM 2359 O ASN B 65 42.034 41.689 26.111 1.00 3.52 O ATOM 2360 CB ASN B 65 44.333 44.062 26.273 1.00 3.25 C ATOM 2361 CG ASN B 65 45.551 44.723 26.929 1.00 3.82 C ATOM 2362 OD1 ASN B 65 45.449 45.802 27.480 1.00 4.30 O ATOM 2363 ND2 ASN B 65 46.706 44.116 26.893 1.00 4.34 N ATOM 0 H ASN B 65 44.258 41.293 25.465 1.00 2.14 H new ATOM 0 HA ASN B 65 44.297 42.825 28.038 1.00 2.59 H new ATOM 0 HB2 ASN B 65 44.539 43.865 25.221 1.00 3.25 H new ATOM 0 HB3 ASN B 65 43.479 44.738 26.309 1.00 3.25 H new ATOM 0 HD21 ASN B 65 47.522 44.547 27.327 1.00 4.34 H new ATOM 0 HD22 ASN B 65 46.792 43.211 26.431 1.00 4.34 H new ATOM 2370 N ILE B 66 41.716 43.147 27.719 1.00 0.00 N ATOM 2371 CA ILE B 66 40.242 42.933 27.690 1.00 0.00 C ATOM 2372 C ILE B 66 39.540 44.191 28.220 1.00 0.00 C ATOM 2373 O ILE B 66 40.055 44.903 29.059 1.00 0.00 O ATOM 2374 CB ILE B 66 39.868 41.696 28.552 1.00 0.00 C ATOM 2375 CG1 ILE B 66 40.964 41.434 29.596 1.00 0.00 C ATOM 2376 CG2 ILE B 66 39.722 40.444 27.672 1.00 0.00 C ATOM 2377 CD1 ILE B 66 41.130 42.658 30.505 1.00 0.00 C ATOM 0 H ILE B 66 42.041 43.829 28.404 1.00 0.00 H new ATOM 0 HA ILE B 66 39.918 42.747 26.666 1.00 0.00 H new ATOM 0 HB ILE B 66 38.919 41.904 29.046 1.00 0.00 H new ATOM 0 HG12 ILE B 66 40.706 40.560 30.194 1.00 0.00 H new ATOM 0 HG13 ILE B 66 41.907 41.212 29.097 1.00 0.00 H new ATOM 0 HG21 ILE B 66 39.460 39.589 28.296 1.00 0.00 H new ATOM 0 HG22 ILE B 66 38.938 40.608 26.933 1.00 0.00 H new ATOM 0 HG23 ILE B 66 40.665 40.246 27.162 1.00 0.00 H new ATOM 0 HD11 ILE B 66 41.909 42.461 31.241 1.00 0.00 H new ATOM 0 HD12 ILE B 66 41.409 43.523 29.903 1.00 0.00 H new ATOM 0 HD13 ILE B 66 40.190 42.861 31.017 1.00 0.00 H new ATOM 2389 N TYR B 67 38.370 44.466 27.717 1.00 0.00 N ATOM 2390 CA TYR B 67 37.611 45.672 28.162 1.00 0.00 C ATOM 2391 C TYR B 67 37.653 45.787 29.689 1.00 0.00 C ATOM 2392 O TYR B 67 37.345 46.820 30.246 1.00 0.00 O ATOM 2393 CB TYR B 67 36.157 45.541 27.713 1.00 0.00 C ATOM 2394 CG TYR B 67 36.102 45.375 26.212 1.00 0.00 C ATOM 2395 CD1 TYR B 67 36.036 46.502 25.383 1.00 0.00 C ATOM 2396 CD2 TYR B 67 36.118 44.093 25.649 1.00 0.00 C ATOM 2397 CE1 TYR B 67 35.986 46.346 23.992 1.00 0.00 C ATOM 2398 CE2 TYR B 67 36.068 43.937 24.259 1.00 0.00 C ATOM 2399 CZ TYR B 67 36.002 45.064 23.430 1.00 0.00 C ATOM 2400 OH TYR B 67 35.953 44.910 22.059 1.00 0.00 O ATOM 0 H TYR B 67 37.900 43.902 27.009 1.00 0.00 H new ATOM 0 HA TYR B 67 38.063 46.561 27.722 1.00 0.00 H new ATOM 0 HB2 TYR B 67 35.691 44.685 28.201 1.00 0.00 H new ATOM 0 HB3 TYR B 67 35.593 46.424 28.012 1.00 0.00 H new ATOM 0 HD1 TYR B 67 36.024 47.491 25.816 1.00 0.00 H new ATOM 0 HD2 TYR B 67 36.169 43.224 26.288 1.00 0.00 H new ATOM 0 HE1 TYR B 67 35.935 47.215 23.353 1.00 0.00 H new ATOM 0 HE2 TYR B 67 36.080 42.948 23.826 1.00 0.00 H new ATOM 0 HH TYR B 67 35.974 43.956 21.836 1.00 0.00 H new ATOM 2410 N ASP B 68 38.023 44.731 30.360 1.00 0.00 N ATOM 2411 CA ASP B 68 38.084 44.752 31.855 1.00 0.00 C ATOM 2412 C ASP B 68 36.666 44.676 32.427 1.00 0.00 C ATOM 2413 O ASP B 68 36.291 45.443 33.292 1.00 0.00 O ATOM 2414 CB ASP B 68 38.784 46.032 32.349 1.00 0.00 C ATOM 2415 CG ASP B 68 39.883 46.432 31.362 1.00 0.00 C ATOM 2416 OD1 ASP B 68 40.824 45.669 31.213 1.00 0.00 O ATOM 2417 OD2 ASP B 68 39.765 47.493 30.772 1.00 0.00 O ATOM 0 H ASP B 68 38.289 43.843 29.934 1.00 0.00 H new ATOM 0 HA ASP B 68 38.659 43.891 32.197 1.00 0.00 H new ATOM 0 HB2 ASP B 68 38.059 46.840 32.448 1.00 0.00 H new ATOM 0 HB3 ASP B 68 39.212 45.866 33.337 1.00 0.00 H new ATOM 2422 N GLY B 69 35.878 43.747 31.958 1.00 0.00 N ATOM 2423 CA GLY B 69 34.489 43.611 32.481 1.00 0.00 C ATOM 2424 C GLY B 69 34.528 42.856 33.810 1.00 0.00 C ATOM 2425 O GLY B 69 33.508 42.550 34.395 1.00 0.00 O ATOM 0 H GLY B 69 36.137 43.076 31.235 1.00 0.00 H new ATOM 0 HA2 GLY B 69 34.041 44.595 32.620 1.00 0.00 H new ATOM 0 HA3 GLY B 69 33.867 43.077 31.763 1.00 0.00 H new ATOM 2429 N GLY B 70 35.707 42.554 34.290 1.00 0.00 N ATOM 2430 CA GLY B 70 35.836 41.819 35.585 1.00 0.00 C ATOM 2431 C GLY B 70 37.090 42.297 36.306 1.00 0.00 C ATOM 2432 O GLY B 70 37.916 41.512 36.726 1.00 0.00 O ATOM 0 H GLY B 70 36.591 42.786 33.838 1.00 0.00 H new ATOM 0 HA2 GLY B 70 34.956 41.992 36.205 1.00 0.00 H new ATOM 0 HA3 GLY B 70 35.892 40.746 35.404 1.00 0.00 H new ATOM 2436 N GLU B 71 37.243 43.583 36.448 1.00 0.00 N ATOM 2437 CA GLU B 71 38.448 44.112 37.138 1.00 0.00 C ATOM 2438 C GLU B 71 39.696 43.502 36.502 1.00 0.00 C ATOM 2439 O GLU B 71 39.789 43.367 35.300 1.00 0.00 O ATOM 2440 CB GLU B 71 38.395 43.736 38.622 1.00 0.00 C ATOM 2441 CG GLU B 71 37.104 44.271 39.244 1.00 0.00 C ATOM 2442 CD GLU B 71 36.888 43.618 40.611 1.00 0.00 C ATOM 2443 OE1 GLU B 71 37.243 42.460 40.755 1.00 0.00 O ATOM 2444 OE2 GLU B 71 36.372 44.288 41.490 1.00 0.00 O ATOM 0 H GLU B 71 36.586 44.289 36.116 1.00 0.00 H new ATOM 0 HA GLU B 71 38.479 45.197 37.042 1.00 0.00 H new ATOM 0 HB2 GLU B 71 38.442 42.653 38.734 1.00 0.00 H new ATOM 0 HB3 GLU B 71 39.259 44.149 39.143 1.00 0.00 H new ATOM 0 HG2 GLU B 71 37.161 45.354 39.351 1.00 0.00 H new ATOM 0 HG3 GLU B 71 36.258 44.060 38.590 1.00 0.00 H new ATOM 2451 N LEU B 72 40.650 43.125 37.307 1.00 0.00 N ATOM 2452 CA LEU B 72 41.904 42.514 36.776 1.00 0.00 C ATOM 2453 C LEU B 72 42.499 41.606 37.865 1.00 0.00 C ATOM 2454 O LEU B 72 42.142 40.451 37.982 1.00 0.00 O ATOM 2455 CB LEU B 72 42.903 43.641 36.400 1.00 0.00 C ATOM 2456 CG LEU B 72 42.917 43.867 34.875 1.00 0.00 C ATOM 2457 CD1 LEU B 72 43.453 45.267 34.562 1.00 0.00 C ATOM 2458 CD2 LEU B 72 43.822 42.824 34.207 1.00 0.00 C ATOM 0 H LEU B 72 40.615 43.215 38.322 1.00 0.00 H new ATOM 0 HA LEU B 72 41.697 41.923 35.884 1.00 0.00 H new ATOM 0 HB2 LEU B 72 42.625 44.565 36.907 1.00 0.00 H new ATOM 0 HB3 LEU B 72 43.903 43.377 36.743 1.00 0.00 H new ATOM 0 HG LEU B 72 41.900 43.771 34.494 1.00 0.00 H new ATOM 0 HD11 LEU B 72 43.461 45.421 33.483 1.00 0.00 H new ATOM 0 HD12 LEU B 72 42.813 46.015 35.031 1.00 0.00 H new ATOM 0 HD13 LEU B 72 44.467 45.363 34.949 1.00 0.00 H new ATOM 0 HD21 LEU B 72 43.830 42.986 33.129 1.00 0.00 H new ATOM 0 HD22 LEU B 72 44.836 42.920 34.596 1.00 0.00 H new ATOM 0 HD23 LEU B 72 43.444 41.824 34.421 1.00 0.00 H new ATOM 2470 N ARG B 73 43.398 42.124 38.665 1.00 0.00 N ATOM 2471 CA ARG B 73 44.014 41.300 39.752 1.00 0.00 C ATOM 2472 C ARG B 73 43.312 41.608 41.078 1.00 0.00 C ATOM 2473 O ARG B 73 42.113 41.458 41.206 1.00 0.00 O ATOM 2474 CB ARG B 73 45.510 41.639 39.871 1.00 0.00 C ATOM 2475 CG ARG B 73 45.713 43.159 40.140 1.00 0.00 C ATOM 2476 CD ARG B 73 46.373 43.838 38.932 1.00 0.00 C ATOM 2477 NE ARG B 73 46.350 45.316 39.117 1.00 0.00 N ATOM 2478 CZ ARG B 73 47.106 46.078 38.375 1.00 0.00 C ATOM 2479 NH1 ARG B 73 47.885 45.545 37.475 1.00 0.00 N ATOM 2480 NH2 ARG B 73 47.084 47.373 38.535 1.00 0.00 N ATOM 0 H ARG B 73 43.733 43.086 38.612 1.00 0.00 H new ATOM 0 HA ARG B 73 43.902 40.242 39.516 1.00 0.00 H new ATOM 0 HB2 ARG B 73 45.956 41.059 40.679 1.00 0.00 H new ATOM 0 HB3 ARG B 73 46.026 41.355 38.954 1.00 0.00 H new ATOM 0 HG2 ARG B 73 44.752 43.629 40.348 1.00 0.00 H new ATOM 0 HG3 ARG B 73 46.333 43.297 41.026 1.00 0.00 H new ATOM 0 HD2 ARG B 73 47.400 43.491 38.823 1.00 0.00 H new ATOM 0 HD3 ARG B 73 45.846 43.567 38.017 1.00 0.00 H new ATOM 0 HE ARG B 73 45.743 45.732 39.824 1.00 0.00 H new ATOM 0 HH11 ARG B 73 47.903 44.533 37.351 1.00 0.00 H new ATOM 0 HH12 ARG B 73 48.476 46.140 36.895 1.00 0.00 H new ATOM 0 HH21 ARG B 73 46.476 47.789 39.240 1.00 0.00 H new ATOM 0 HH22 ARG B 73 47.675 47.969 37.955 1.00 0.00 H new ATOM 2494 N ASN B 74 44.050 42.042 42.066 1.00 0.00 N ATOM 2495 CA ASN B 74 43.426 42.364 43.383 1.00 0.00 C ATOM 2496 C ASN B 74 42.894 43.800 43.354 1.00 0.00 C ATOM 2497 O ASN B 74 42.466 44.292 42.329 1.00 0.00 O ATOM 2498 CB ASN B 74 44.478 42.226 44.490 1.00 0.00 C ATOM 2499 CG ASN B 74 43.784 42.143 45.852 1.00 0.00 C ATOM 2500 OD1 ASN B 74 42.574 42.066 45.928 1.00 0.00 O ATOM 2501 ND2 ASN B 74 44.506 42.156 46.939 1.00 0.00 N ATOM 0 H ASN B 74 45.058 42.187 42.018 1.00 0.00 H new ATOM 0 HA ASN B 74 42.603 41.677 43.578 1.00 0.00 H new ATOM 0 HB2 ASN B 74 45.081 41.333 44.323 1.00 0.00 H new ATOM 0 HB3 ASN B 74 45.157 43.078 44.468 1.00 0.00 H new ATOM 0 HD21 ASN B 74 44.054 42.101 47.852 1.00 0.00 H new ATOM 0 HD22 ASN B 74 45.522 42.221 46.876 1.00 0.00 H new ATOM 2508 N THR B 75 42.918 44.478 44.472 1.00 0.00 N ATOM 2509 CA THR B 75 42.415 45.883 44.508 1.00 0.00 C ATOM 2510 C THR B 75 43.549 46.838 44.122 1.00 0.00 C ATOM 2511 O THR B 75 43.511 47.478 43.090 1.00 0.00 O ATOM 2512 CB THR B 75 41.920 46.211 45.926 1.00 0.00 C ATOM 2513 OG1 THR B 75 41.264 45.074 46.467 1.00 0.00 O ATOM 2514 CG2 THR B 75 40.941 47.389 45.882 1.00 0.00 C ATOM 0 H THR B 75 43.264 44.119 45.362 1.00 0.00 H new ATOM 0 HA THR B 75 41.591 45.997 43.803 1.00 0.00 H new ATOM 0 HB THR B 75 42.772 46.480 46.550 1.00 0.00 H new ATOM 0 HG1 THR B 75 40.948 45.278 47.372 1.00 0.00 H new ATOM 0 HG21 THR B 75 40.596 47.613 46.891 1.00 0.00 H new ATOM 0 HG22 THR B 75 41.442 48.263 45.467 1.00 0.00 H new ATOM 0 HG23 THR B 75 40.087 47.129 45.256 1.00 0.00 H new ATOM 2522 N THR B 76 44.561 46.936 44.947 1.00 0.00 N ATOM 2523 CA THR B 76 45.705 47.847 44.636 1.00 0.00 C ATOM 2524 C THR B 76 47.002 47.234 45.167 1.00 0.00 C ATOM 2525 O THR B 76 47.223 46.043 45.070 1.00 0.00 O ATOM 2526 CB THR B 76 45.477 49.203 45.310 1.00 0.00 C ATOM 2527 OG1 THR B 76 45.478 49.033 46.720 1.00 0.00 O ATOM 2528 CG2 THR B 76 44.133 49.780 44.866 1.00 0.00 C ATOM 0 H THR B 76 44.644 46.423 45.825 1.00 0.00 H new ATOM 0 HA THR B 76 45.777 47.982 43.557 1.00 0.00 H new ATOM 0 HB THR B 76 46.274 49.889 45.024 1.00 0.00 H new ATOM 0 HG1 THR B 76 45.334 49.900 47.154 1.00 0.00 H new ATOM 0 HG21 THR B 76 43.974 50.745 45.348 1.00 0.00 H new ATOM 0 HG22 THR B 76 44.133 49.910 43.784 1.00 0.00 H new ATOM 0 HG23 THR B 76 43.332 49.097 45.149 1.00 0.00 H new ATOM 2536 N ARG B 77 47.862 48.040 45.729 1.00 0.00 N ATOM 2537 CA ARG B 77 49.146 47.508 46.269 1.00 0.00 C ATOM 2538 C ARG B 77 49.680 48.467 47.339 1.00 0.00 C ATOM 2539 O ARG B 77 48.940 48.948 48.174 1.00 0.00 O ATOM 2540 CB ARG B 77 50.161 47.367 45.127 1.00 0.00 C ATOM 2541 CG ARG B 77 50.354 48.717 44.421 1.00 0.00 C ATOM 2542 CD ARG B 77 50.975 48.496 43.038 1.00 0.00 C ATOM 2543 NE ARG B 77 49.928 48.013 42.094 1.00 0.00 N ATOM 2544 CZ ARG B 77 50.147 48.042 40.808 1.00 0.00 C ATOM 2545 NH1 ARG B 77 51.283 48.492 40.348 1.00 0.00 N ATOM 2546 NH2 ARG B 77 49.230 47.620 39.981 1.00 0.00 N ATOM 0 H ARG B 77 47.730 49.046 45.838 1.00 0.00 H new ATOM 0 HA ARG B 77 48.982 46.528 46.718 1.00 0.00 H new ATOM 0 HB2 ARG B 77 51.115 47.014 45.519 1.00 0.00 H new ATOM 0 HB3 ARG B 77 49.814 46.621 44.412 1.00 0.00 H new ATOM 0 HG2 ARG B 77 49.395 49.226 44.322 1.00 0.00 H new ATOM 0 HG3 ARG B 77 50.997 49.362 45.020 1.00 0.00 H new ATOM 0 HD2 ARG B 77 51.410 49.425 42.670 1.00 0.00 H new ATOM 0 HD3 ARG B 77 51.784 47.769 43.103 1.00 0.00 H new ATOM 0 HE ARG B 77 49.041 47.660 42.453 1.00 0.00 H new ATOM 0 HH11 ARG B 77 52.000 48.821 40.994 1.00 0.00 H new ATOM 0 HH12 ARG B 77 51.453 48.514 39.343 1.00 0.00 H new ATOM 0 HH21 ARG B 77 48.343 47.268 40.340 1.00 0.00 H new ATOM 0 HH22 ARG B 77 49.401 47.642 38.976 1.00 0.00 H new ATOM 2560 N GLN B 78 50.955 48.747 47.329 1.00 0.00 N ATOM 2561 CA GLN B 78 51.520 49.672 48.353 1.00 0.00 C ATOM 2562 C GLN B 78 51.097 51.109 48.041 1.00 0.00 C ATOM 2563 O GLN B 78 50.946 51.927 48.926 1.00 0.00 O ATOM 2564 CB GLN B 78 53.047 49.577 48.341 1.00 0.00 C ATOM 2565 CG GLN B 78 53.612 50.298 49.567 1.00 0.00 C ATOM 2566 CD GLN B 78 55.128 50.104 49.622 1.00 0.00 C ATOM 2567 OE1 GLN B 78 55.810 50.274 48.631 1.00 0.00 O ATOM 2568 NE2 GLN B 78 55.689 49.754 50.747 1.00 0.00 N ATOM 0 H GLN B 78 51.628 48.377 46.658 1.00 0.00 H new ATOM 0 HA GLN B 78 51.145 49.391 49.337 1.00 0.00 H new ATOM 0 HB2 GLN B 78 53.357 48.532 48.345 1.00 0.00 H new ATOM 0 HB3 GLN B 78 53.443 50.023 47.429 1.00 0.00 H new ATOM 0 HG2 GLN B 78 53.373 51.360 49.519 1.00 0.00 H new ATOM 0 HG3 GLN B 78 53.152 49.908 50.475 1.00 0.00 H new ATOM 0 HE21 GLN B 78 55.117 49.611 51.579 1.00 0.00 H new ATOM 0 HE22 GLN B 78 56.700 49.623 50.794 1.00 0.00 H new ATOM 2577 N CYS B 79 50.906 51.424 46.788 1.00 0.00 N ATOM 2578 CA CYS B 79 50.494 52.807 46.418 1.00 0.00 C ATOM 2579 C CYS B 79 51.484 53.810 47.011 1.00 0.00 C ATOM 2580 O CYS B 79 52.348 53.459 47.789 1.00 0.00 O ATOM 2581 CB CYS B 79 49.092 53.088 46.962 1.00 0.00 C ATOM 2582 SG CYS B 79 47.962 51.783 46.419 1.00 0.00 S ATOM 0 H CYS B 79 51.018 50.781 46.004 1.00 0.00 H new ATOM 0 HA CYS B 79 50.486 52.904 45.332 1.00 0.00 H new ATOM 0 HB2 CYS B 79 49.115 53.134 48.051 1.00 0.00 H new ATOM 0 HB3 CYS B 79 48.741 54.058 46.609 1.00 0.00 H new ATOM 0 HG CYS B 79 48.201 50.695 47.089 1.00 0.00 H new ATOM 2588 N GLY B 80 51.367 55.058 46.647 1.00 0.00 N ATOM 2589 CA GLY B 80 52.303 56.083 47.188 1.00 0.00 C ATOM 2590 C GLY B 80 51.972 56.352 48.657 1.00 0.00 C ATOM 2591 O GLY B 80 52.012 57.506 49.051 1.00 0.00 O ATOM 2592 OXT GLY B 80 51.685 55.400 49.363 1.00 0.00 O ATOM 0 H GLY B 80 50.664 55.412 45.998 1.00 0.00 H new ATOM 0 HA2 GLY B 80 53.332 55.737 47.094 1.00 0.00 H new ATOM 0 HA3 GLY B 80 52.223 57.005 46.611 1.00 0.00 H new TER 2596 GLY B 80