USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 37 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 29 ASN : amide:sc= -4.6! C(o=-4.7!,f=-6.9!) USER MOD Set 2.2: A 34 GLN : amide:sc= -0.13 X(o=-4.7,f=-4.7) USER MOD Single : A 1 ALA N :NH3+ -158:sc= 0.354 (180deg=0.17) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0745 K(o=-0.075,f=-3.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 11:sc= -0.917! USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= -0.0336 (180deg=-0.224) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0252 USER MOD Single : A 30 SER OG : rot -105:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.455 F(o=-2.4!,f=-0.46) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 1 K(o=1,f=-0.24) USER MOD Single : A 48 ASN : amide:sc= 0.518 K(o=0.52,f=-0.59!) USER MOD Single : A 49 ASN : amide:sc= -1.62! C(o=-1.6!,f=-6.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1.9!) USER MOD Single : A 58 GLN : amide:sc= -0.0324 K(o=-0.032,f=-0.55) USER MOD Single : A 59 THR OG1 : rot 106:sc= 1.15 USER MOD Single : A 61 GLN : amide:sc= -2.56! C(o=-2.6!,f=-5.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.136 -0.189 -12.536 1.00 1.02 N ATOM 2 CA ALA A 1 -0.295 -1.430 -11.750 1.00 32.21 C ATOM 3 C ALA A 1 0.953 -1.645 -10.908 1.00 53.12 C ATOM 4 O ALA A 1 0.893 -1.938 -9.708 1.00 51.33 O ATOM 5 CB ALA A 1 -0.537 -2.608 -12.677 1.00 22.22 C ATOM 0 H1 ALA A 1 -1.072 0.169 -12.813 1.00 1.02 H new ATOM 0 H2 ALA A 1 0.352 0.527 -11.960 1.00 1.02 H new ATOM 0 H3 ALA A 1 0.425 -0.388 -13.389 1.00 1.02 H new ATOM 0 HA ALA A 1 -1.158 -1.343 -11.089 1.00 32.21 H new ATOM 0 HB1 ALA A 1 -0.653 -3.517 -12.087 1.00 22.22 H new ATOM 0 HB2 ALA A 1 -1.443 -2.434 -13.257 1.00 22.22 H new ATOM 0 HB3 ALA A 1 0.311 -2.719 -13.353 1.00 22.22 H new ATOM 13 N ARG A 2 2.061 -1.505 -11.586 1.00 1.50 N ATOM 14 CA ARG A 2 3.332 -1.523 -10.876 1.00 12.43 C ATOM 15 C ARG A 2 3.426 -0.274 -9.967 1.00 61.43 C ATOM 16 O ARG A 2 2.713 0.705 -10.236 1.00 32.23 O ATOM 17 CB ARG A 2 4.516 -1.564 -11.842 1.00 1.15 C ATOM 18 CG ARG A 2 4.648 -2.824 -12.667 1.00 33.34 C ATOM 19 CD ARG A 2 5.909 -2.763 -13.515 1.00 0.30 C ATOM 20 NE ARG A 2 6.177 -4.014 -14.231 1.00 2.34 N ATOM 21 CZ ARG A 2 7.403 -4.441 -14.590 1.00 51.22 C ATOM 22 NH1 ARG A 2 8.478 -3.679 -14.353 1.00 4.13 N ATOM 23 NH2 ARG A 2 7.545 -5.620 -15.206 1.00 12.42 N ATOM 0 H ARG A 2 2.122 -1.380 -12.597 1.00 1.50 H new ATOM 0 HA ARG A 2 3.375 -2.427 -10.269 1.00 12.43 H new ATOM 0 HB2 ARG A 2 4.437 -0.715 -12.520 1.00 1.15 H new ATOM 0 HB3 ARG A 2 5.433 -1.430 -11.269 1.00 1.15 H new ATOM 0 HG2 ARG A 2 4.682 -3.695 -12.012 1.00 33.34 H new ATOM 0 HG3 ARG A 2 3.774 -2.941 -13.308 1.00 33.34 H new ATOM 0 HD2 ARG A 2 5.817 -1.950 -14.236 1.00 0.30 H new ATOM 0 HD3 ARG A 2 6.760 -2.527 -12.876 1.00 0.30 H new ATOM 0 HE ARG A 2 5.380 -4.602 -14.474 1.00 2.34 H new ATOM 0 HH11 ARG A 2 8.370 -2.772 -13.899 1.00 4.13 H new ATOM 0 HH12 ARG A 2 9.405 -4.006 -14.626 1.00 4.13 H new ATOM 0 HH21 ARG A 2 6.725 -6.194 -15.403 1.00 12.42 H new ATOM 0 HH22 ARG A 2 8.473 -5.945 -15.478 1.00 12.42 H new ATOM 37 N PRO A 3 4.223 -0.306 -8.830 1.00 3.10 N ATOM 38 CA PRO A 3 4.431 0.879 -7.936 1.00 73.24 C ATOM 39 C PRO A 3 4.634 2.108 -8.807 1.00 32.31 C ATOM 40 O PRO A 3 3.949 3.143 -8.684 1.00 15.32 O ATOM 41 CB PRO A 3 5.732 0.521 -7.177 1.00 62.05 C ATOM 42 CG PRO A 3 6.159 -0.832 -7.693 1.00 1.23 C ATOM 43 CD PRO A 3 4.948 -1.464 -8.323 1.00 32.41 C ATOM 0 HA PRO A 3 3.601 1.091 -7.261 1.00 73.24 H new ATOM 0 HB2 PRO A 3 6.505 1.268 -7.356 1.00 62.05 H new ATOM 0 HB3 PRO A 3 5.560 0.491 -6.101 1.00 62.05 H new ATOM 0 HG2 PRO A 3 6.964 -0.731 -8.421 1.00 1.23 H new ATOM 0 HG3 PRO A 3 6.539 -1.452 -6.881 1.00 1.23 H new ATOM 0 HD2 PRO A 3 5.219 -2.156 -9.121 1.00 32.41 H new ATOM 0 HD3 PRO A 3 4.360 -2.027 -7.599 1.00 32.41 H new ATOM 51 N LYS A 4 5.549 1.941 -9.698 1.00 15.21 N ATOM 52 CA LYS A 4 5.710 2.752 -10.827 1.00 2.04 C ATOM 53 C LYS A 4 5.745 1.806 -11.983 1.00 73.11 C ATOM 54 O LYS A 4 6.436 0.779 -11.912 1.00 10.13 O ATOM 55 CB LYS A 4 6.967 3.646 -10.821 1.00 54.13 C ATOM 56 CG LYS A 4 6.997 4.745 -9.768 1.00 52.42 C ATOM 57 CD LYS A 4 7.987 5.830 -10.190 1.00 45.13 C ATOM 58 CE LYS A 4 8.005 7.031 -9.248 1.00 33.15 C ATOM 59 NZ LYS A 4 8.604 6.722 -7.940 1.00 2.01 N ATOM 0 H LYS A 4 6.237 1.190 -9.644 1.00 15.21 H new ATOM 0 HA LYS A 4 4.890 3.469 -10.869 1.00 2.04 H new ATOM 0 HB2 LYS A 4 7.841 3.010 -10.679 1.00 54.13 H new ATOM 0 HB3 LYS A 4 7.065 4.108 -11.803 1.00 54.13 H new ATOM 0 HG2 LYS A 4 6.002 5.173 -9.646 1.00 52.42 H new ATOM 0 HG3 LYS A 4 7.286 4.330 -8.802 1.00 52.42 H new ATOM 0 HD2 LYS A 4 8.987 5.400 -10.238 1.00 45.13 H new ATOM 0 HD3 LYS A 4 7.737 6.169 -11.195 1.00 45.13 H new ATOM 0 HE2 LYS A 4 8.562 7.844 -9.714 1.00 33.15 H new ATOM 0 HE3 LYS A 4 6.985 7.386 -9.100 1.00 33.15 H new ATOM 0 HZ1 LYS A 4 8.590 7.573 -7.342 1.00 2.01 H new ATOM 0 HZ2 LYS A 4 8.059 5.965 -7.479 1.00 2.01 H new ATOM 0 HZ3 LYS A 4 9.587 6.409 -8.073 1.00 2.01 H new ATOM 73 N ASP A 5 5.040 2.116 -13.023 1.00 10.22 N ATOM 74 CA ASP A 5 5.097 1.319 -14.235 1.00 0.22 C ATOM 75 C ASP A 5 6.210 1.966 -15.012 1.00 43.13 C ATOM 76 O ASP A 5 7.098 2.605 -14.421 1.00 40.32 O ATOM 77 CB ASP A 5 3.735 1.358 -14.999 1.00 24.25 C ATOM 78 CG ASP A 5 2.531 0.814 -14.192 1.00 64.45 C ATOM 79 OD1 ASP A 5 2.250 -0.418 -14.204 1.00 32.25 O ATOM 80 OD2 ASP A 5 1.811 1.615 -13.567 1.00 11.10 O ATOM 0 H ASP A 5 4.411 2.917 -13.071 1.00 10.22 H new ATOM 0 HA ASP A 5 5.277 0.259 -14.055 1.00 0.22 H new ATOM 0 HB2 ASP A 5 3.526 2.387 -15.291 1.00 24.25 H new ATOM 0 HB3 ASP A 5 3.831 0.780 -15.918 1.00 24.25 H new ATOM 85 N ARG A 6 6.227 1.835 -16.292 1.00 62.13 N ATOM 86 CA ARG A 6 6.962 2.756 -17.070 1.00 45.02 C ATOM 87 C ARG A 6 6.017 3.891 -17.373 1.00 12.34 C ATOM 88 O ARG A 6 5.043 3.743 -18.116 1.00 63.35 O ATOM 89 CB ARG A 6 7.572 2.112 -18.313 1.00 4.53 C ATOM 90 CG ARG A 6 8.660 1.118 -17.962 1.00 43.44 C ATOM 91 CD ARG A 6 9.766 1.883 -17.258 1.00 43.22 C ATOM 92 NE ARG A 6 10.885 1.072 -16.799 1.00 10.01 N ATOM 93 CZ ARG A 6 12.042 1.597 -16.386 1.00 44.14 C ATOM 94 NH1 ARG A 6 12.251 2.915 -16.500 1.00 61.54 N ATOM 95 NH2 ARG A 6 12.988 0.819 -15.874 1.00 53.12 N ATOM 0 H ARG A 6 5.744 1.105 -16.815 1.00 62.13 H new ATOM 0 HA ARG A 6 7.832 3.130 -16.530 1.00 45.02 H new ATOM 0 HB2 ARG A 6 6.790 1.608 -18.881 1.00 4.53 H new ATOM 0 HB3 ARG A 6 7.984 2.888 -18.958 1.00 4.53 H new ATOM 0 HG2 ARG A 6 8.267 0.331 -17.318 1.00 43.44 H new ATOM 0 HG3 ARG A 6 9.041 0.633 -18.861 1.00 43.44 H new ATOM 0 HD2 ARG A 6 10.146 2.647 -17.936 1.00 43.22 H new ATOM 0 HD3 ARG A 6 9.338 2.402 -16.400 1.00 43.22 H new ATOM 0 HE ARG A 6 10.781 0.057 -16.793 1.00 10.01 H new ATOM 0 HH11 ARG A 6 11.528 3.513 -16.901 1.00 61.54 H new ATOM 0 HH12 ARG A 6 13.133 3.321 -16.186 1.00 61.54 H new ATOM 0 HH21 ARG A 6 12.834 -0.186 -15.794 1.00 53.12 H new ATOM 0 HH22 ARG A 6 13.869 1.226 -15.561 1.00 53.12 H new ATOM 109 N PRO A 7 6.267 5.029 -16.755 1.00 21.30 N ATOM 110 CA PRO A 7 5.392 6.157 -16.783 1.00 30.20 C ATOM 111 C PRO A 7 5.440 7.017 -17.932 1.00 54.43 C ATOM 112 O PRO A 7 6.075 8.013 -17.858 1.00 14.22 O ATOM 113 CB PRO A 7 5.657 6.898 -15.466 1.00 25.02 C ATOM 114 CG PRO A 7 6.762 6.136 -14.798 1.00 44.04 C ATOM 115 CD PRO A 7 7.389 5.291 -15.869 1.00 31.33 C ATOM 0 HA PRO A 7 4.369 5.793 -16.880 1.00 30.20 H new ATOM 0 HB2 PRO A 7 5.947 7.933 -15.649 1.00 25.02 H new ATOM 0 HB3 PRO A 7 4.764 6.923 -14.842 1.00 25.02 H new ATOM 0 HG2 PRO A 7 7.493 6.814 -14.358 1.00 44.04 H new ATOM 0 HG3 PRO A 7 6.375 5.517 -13.989 1.00 44.04 H new ATOM 0 HD2 PRO A 7 8.196 5.816 -16.380 1.00 31.33 H new ATOM 0 HD3 PRO A 7 7.812 4.371 -15.465 1.00 31.33 H new ATOM 123 N SER A 8 4.892 6.496 -19.052 1.00 34.10 N ATOM 124 CA SER A 8 4.350 7.255 -20.204 1.00 61.33 C ATOM 125 C SER A 8 5.052 8.576 -20.488 1.00 45.13 C ATOM 126 O SER A 8 5.643 8.733 -21.534 1.00 20.34 O ATOM 127 CB SER A 8 2.839 7.385 -20.070 1.00 4.41 C ATOM 128 OG SER A 8 2.254 6.079 -19.922 1.00 34.34 O ATOM 0 H SER A 8 4.811 5.488 -19.185 1.00 34.10 H new ATOM 0 HA SER A 8 4.569 6.673 -21.099 1.00 61.33 H new ATOM 0 HB2 SER A 8 2.592 8.005 -19.208 1.00 4.41 H new ATOM 0 HB3 SER A 8 2.427 7.882 -20.948 1.00 4.41 H new ATOM 0 HG SER A 8 1.282 6.164 -19.834 1.00 34.34 H new ATOM 134 N TYR A 9 4.890 9.547 -19.558 1.00 63.24 N ATOM 135 CA TYR A 9 5.674 10.787 -19.506 1.00 43.11 C ATOM 136 C TYR A 9 7.120 10.542 -19.826 1.00 14.01 C ATOM 137 O TYR A 9 7.692 11.257 -20.607 1.00 13.53 O ATOM 138 CB TYR A 9 5.520 11.469 -18.148 1.00 63.52 C ATOM 139 CG TYR A 9 4.124 11.955 -17.914 1.00 3.12 C ATOM 140 CD1 TYR A 9 3.341 12.306 -18.991 1.00 52.44 C ATOM 141 CD2 TYR A 9 3.584 12.052 -16.640 1.00 71.32 C ATOM 142 CE1 TYR A 9 2.052 12.750 -18.824 1.00 61.04 C ATOM 143 CE2 TYR A 9 2.290 12.495 -16.455 1.00 73.11 C ATOM 144 CZ TYR A 9 1.528 12.845 -17.554 1.00 14.43 C ATOM 145 OH TYR A 9 0.231 13.286 -17.382 1.00 50.30 O ATOM 0 H TYR A 9 4.196 9.482 -18.813 1.00 63.24 H new ATOM 0 HA TYR A 9 5.282 11.457 -20.271 1.00 43.11 H new ATOM 0 HB2 TYR A 9 5.796 10.770 -17.359 1.00 63.52 H new ATOM 0 HB3 TYR A 9 6.211 12.310 -18.085 1.00 63.52 H new ATOM 0 HD1 TYR A 9 3.749 12.231 -19.988 1.00 52.44 H new ATOM 0 HD2 TYR A 9 4.182 11.778 -15.784 1.00 71.32 H new ATOM 0 HE1 TYR A 9 1.454 13.022 -19.681 1.00 61.04 H new ATOM 0 HE2 TYR A 9 1.876 12.568 -15.460 1.00 73.11 H new ATOM 0 HH TYR A 9 0.012 13.295 -16.427 1.00 50.30 H new ATOM 155 N CYS A 10 7.683 9.483 -19.227 1.00 32.20 N ATOM 156 CA CYS A 10 9.041 9.097 -19.505 1.00 2.23 C ATOM 157 C CYS A 10 9.213 8.966 -21.011 1.00 73.35 C ATOM 158 O CYS A 10 10.090 9.547 -21.588 1.00 50.23 O ATOM 159 CB CYS A 10 9.342 7.701 -18.926 1.00 15.50 C ATOM 160 SG CYS A 10 9.299 7.548 -17.118 1.00 53.41 S ATOM 0 H CYS A 10 7.205 8.889 -18.549 1.00 32.20 H new ATOM 0 HA CYS A 10 9.700 9.848 -19.068 1.00 2.23 H new ATOM 0 HB2 CYS A 10 8.624 6.996 -19.345 1.00 15.50 H new ATOM 0 HB3 CYS A 10 10.329 7.394 -19.271 1.00 15.50 H new ATOM 165 N ASN A 11 8.267 8.358 -21.652 1.00 73.22 N ATOM 166 CA ASN A 11 8.442 7.967 -23.062 1.00 74.22 C ATOM 167 C ASN A 11 8.005 9.064 -24.025 1.00 54.41 C ATOM 168 O ASN A 11 8.012 8.852 -25.240 1.00 72.34 O ATOM 169 CB ASN A 11 7.697 6.709 -23.431 1.00 1.22 C ATOM 170 CG ASN A 11 8.019 5.458 -22.616 1.00 60.02 C ATOM 171 OD1 ASN A 11 8.424 5.516 -21.447 1.00 5.12 O ATOM 172 ND2 ASN A 11 7.806 4.318 -23.222 1.00 23.51 N ATOM 0 H ASN A 11 7.363 8.112 -21.248 1.00 73.22 H new ATOM 0 HA ASN A 11 9.513 7.787 -23.157 1.00 74.22 H new ATOM 0 HB2 ASN A 11 6.629 6.907 -23.342 1.00 1.22 H new ATOM 0 HB3 ASN A 11 7.895 6.492 -24.481 1.00 1.22 H new ATOM 0 HD21 ASN A 11 7.974 3.440 -22.731 1.00 23.51 H new ATOM 0 HD22 ASN A 11 7.472 4.307 -24.186 1.00 23.51 H new ATOM 179 N LEU A 12 7.579 10.191 -23.516 1.00 5.12 N ATOM 180 CA LEU A 12 7.010 11.249 -24.350 1.00 4.30 C ATOM 181 C LEU A 12 8.074 12.133 -25.035 1.00 34.42 C ATOM 182 O LEU A 12 9.127 12.424 -24.472 1.00 45.40 O ATOM 183 CB LEU A 12 6.036 12.110 -23.545 1.00 13.32 C ATOM 184 CG LEU A 12 4.770 11.417 -23.056 1.00 63.42 C ATOM 185 CD1 LEU A 12 3.854 12.415 -22.380 1.00 31.11 C ATOM 186 CD2 LEU A 12 4.054 10.729 -24.204 1.00 62.14 C ATOM 0 H LEU A 12 7.611 10.412 -22.521 1.00 5.12 H new ATOM 0 HA LEU A 12 6.469 10.744 -25.150 1.00 4.30 H new ATOM 0 HB2 LEU A 12 6.565 12.507 -22.679 1.00 13.32 H new ATOM 0 HB3 LEU A 12 5.745 12.962 -24.159 1.00 13.32 H new ATOM 0 HG LEU A 12 5.053 10.656 -22.329 1.00 63.42 H new ATOM 0 HD11 LEU A 12 2.953 11.907 -22.035 1.00 31.11 H new ATOM 0 HD12 LEU A 12 4.367 12.861 -21.528 1.00 31.11 H new ATOM 0 HD13 LEU A 12 3.581 13.197 -23.089 1.00 31.11 H new ATOM 0 HD21 LEU A 12 3.153 10.241 -23.831 1.00 62.14 H new ATOM 0 HD22 LEU A 12 3.781 11.468 -24.958 1.00 62.14 H new ATOM 0 HD23 LEU A 12 4.713 9.983 -24.649 1.00 62.14 H new ATOM 198 N PRO A 13 7.797 12.553 -26.280 1.00 44.20 N ATOM 199 CA PRO A 13 8.683 13.417 -27.066 1.00 21.40 C ATOM 200 C PRO A 13 8.575 14.900 -26.659 1.00 11.22 C ATOM 201 O PRO A 13 7.504 15.387 -26.287 1.00 20.41 O ATOM 202 CB PRO A 13 8.160 13.237 -28.507 1.00 40.12 C ATOM 203 CG PRO A 13 7.147 12.145 -28.428 1.00 55.21 C ATOM 204 CD PRO A 13 6.606 12.200 -27.048 1.00 30.41 C ATOM 0 HA PRO A 13 9.731 13.152 -26.928 1.00 21.40 H new ATOM 0 HB2 PRO A 13 7.715 14.159 -28.881 1.00 40.12 H new ATOM 0 HB3 PRO A 13 8.969 12.974 -29.188 1.00 40.12 H new ATOM 0 HG2 PRO A 13 6.357 12.290 -29.165 1.00 55.21 H new ATOM 0 HG3 PRO A 13 7.600 11.175 -28.633 1.00 55.21 H new ATOM 0 HD2 PRO A 13 5.817 12.945 -26.946 1.00 30.41 H new ATOM 0 HD3 PRO A 13 6.184 11.245 -26.735 1.00 30.41 H new ATOM 212 N ALA A 14 9.709 15.590 -26.726 1.00 22.23 N ATOM 213 CA ALA A 14 9.803 17.004 -26.384 1.00 2.01 C ATOM 214 C ALA A 14 9.026 17.889 -27.380 1.00 15.25 C ATOM 215 O ALA A 14 9.125 17.677 -28.604 1.00 65.31 O ATOM 216 CB ALA A 14 11.255 17.411 -26.348 1.00 2.20 C ATOM 0 H ALA A 14 10.595 15.180 -27.021 1.00 22.23 H new ATOM 0 HA ALA A 14 9.351 17.149 -25.403 1.00 2.01 H new ATOM 0 HB1 ALA A 14 11.330 18.468 -26.093 1.00 2.20 H new ATOM 0 HB2 ALA A 14 11.781 16.818 -25.599 1.00 2.20 H new ATOM 0 HB3 ALA A 14 11.705 17.241 -27.326 1.00 2.20 H new ATOM 222 N ASP A 15 8.337 18.902 -26.871 1.00 33.44 N ATOM 223 CA ASP A 15 7.712 19.953 -27.671 1.00 62.44 C ATOM 224 C ASP A 15 8.026 21.301 -27.074 1.00 12.55 C ATOM 225 O ASP A 15 7.695 21.577 -25.930 1.00 41.21 O ATOM 226 CB ASP A 15 6.204 19.782 -27.933 1.00 21.11 C ATOM 227 CG ASP A 15 5.855 18.622 -28.845 1.00 74.31 C ATOM 228 OD1 ASP A 15 6.273 18.651 -30.035 1.00 11.00 O ATOM 229 OD2 ASP A 15 5.107 17.713 -28.449 1.00 51.52 O ATOM 0 H ASP A 15 8.193 19.021 -25.868 1.00 33.44 H new ATOM 0 HA ASP A 15 8.153 19.871 -28.665 1.00 62.44 H new ATOM 0 HB2 ASP A 15 5.695 19.644 -26.979 1.00 21.11 H new ATOM 0 HB3 ASP A 15 5.817 20.702 -28.371 1.00 21.11 H new ATOM 234 N SER A 16 8.726 22.113 -27.822 1.00 35.43 N ATOM 235 CA SER A 16 9.293 23.312 -27.271 1.00 22.35 C ATOM 236 C SER A 16 8.304 24.515 -27.166 1.00 72.21 C ATOM 237 O SER A 16 8.370 25.303 -26.205 1.00 75.51 O ATOM 238 CB SER A 16 10.565 23.694 -27.999 1.00 32.42 C ATOM 239 OG SER A 16 10.346 23.930 -29.390 1.00 44.14 O ATOM 0 H SER A 16 8.916 21.965 -28.813 1.00 35.43 H new ATOM 0 HA SER A 16 9.538 23.068 -26.237 1.00 22.35 H new ATOM 0 HB2 SER A 16 10.986 24.590 -27.543 1.00 32.42 H new ATOM 0 HB3 SER A 16 11.301 22.899 -27.880 1.00 32.42 H new ATOM 0 HG SER A 16 11.193 24.175 -29.818 1.00 44.14 H new ATOM 245 N GLY A 17 7.340 24.599 -28.088 1.00 44.22 N ATOM 246 CA GLY A 17 6.452 25.766 -28.129 1.00 22.11 C ATOM 247 C GLY A 17 7.133 26.975 -28.778 1.00 54.42 C ATOM 248 O GLY A 17 8.220 26.892 -29.351 1.00 14.44 O ATOM 0 H GLY A 17 7.156 23.892 -28.800 1.00 44.22 H new ATOM 0 HA2 GLY A 17 5.548 25.516 -28.685 1.00 22.11 H new ATOM 0 HA3 GLY A 17 6.142 26.023 -27.116 1.00 22.11 H new ATOM 252 N SER A 18 6.431 28.101 -28.646 1.00 61.54 N ATOM 253 CA SER A 18 6.862 29.301 -29.399 1.00 61.13 C ATOM 254 C SER A 18 7.785 30.151 -28.531 1.00 55.20 C ATOM 255 O SER A 18 8.296 31.211 -28.920 1.00 30.43 O ATOM 256 CB SER A 18 5.645 30.088 -29.898 1.00 41.53 C ATOM 257 OG SER A 18 4.766 30.407 -28.824 1.00 40.22 O ATOM 0 H SER A 18 5.604 28.217 -28.061 1.00 61.54 H new ATOM 0 HA SER A 18 7.425 28.996 -30.281 1.00 61.13 H new ATOM 0 HB2 SER A 18 5.976 31.005 -30.386 1.00 41.53 H new ATOM 0 HB3 SER A 18 5.112 29.503 -30.647 1.00 41.53 H new ATOM 0 HG SER A 18 3.999 30.910 -29.168 1.00 40.22 H new ATOM 263 N GLY A 19 8.006 29.584 -27.405 1.00 2.01 N ATOM 264 CA GLY A 19 9.025 30.082 -26.562 1.00 11.11 C ATOM 265 C GLY A 19 8.614 31.171 -25.650 1.00 52.12 C ATOM 266 O GLY A 19 7.813 32.048 -25.987 1.00 51.20 O ATOM 0 H GLY A 19 7.497 28.777 -27.046 1.00 2.01 H new ATOM 0 HA2 GLY A 19 9.415 29.258 -25.965 1.00 11.11 H new ATOM 0 HA3 GLY A 19 9.845 30.441 -27.184 1.00 11.11 H new ATOM 270 N THR A 20 9.123 31.073 -24.490 1.00 52.12 N ATOM 271 CA THR A 20 9.019 32.004 -23.451 1.00 33.44 C ATOM 272 C THR A 20 10.216 31.845 -22.504 1.00 15.00 C ATOM 273 O THR A 20 10.973 32.787 -22.289 1.00 2.04 O ATOM 274 CB THR A 20 7.615 31.846 -22.782 1.00 3.41 C ATOM 275 OG1 THR A 20 6.472 32.226 -23.511 1.00 4.42 O ATOM 276 CG2 THR A 20 7.362 30.461 -22.145 1.00 41.41 C ATOM 0 H THR A 20 9.676 30.259 -24.220 1.00 52.12 H new ATOM 0 HA THR A 20 9.071 33.032 -23.808 1.00 33.44 H new ATOM 0 HB THR A 20 7.727 32.607 -22.009 1.00 3.41 H new ATOM 0 HG1 THR A 20 6.718 32.384 -24.446 1.00 4.42 H new ATOM 0 HG21 THR A 20 6.365 30.440 -21.705 1.00 41.41 H new ATOM 0 HG22 THR A 20 7.437 29.689 -22.911 1.00 41.41 H new ATOM 0 HG23 THR A 20 8.105 30.276 -21.370 1.00 41.41 H new ATOM 284 N LYS A 21 10.373 30.695 -21.966 1.00 53.13 N ATOM 285 CA LYS A 21 11.556 30.446 -21.194 1.00 54.21 C ATOM 286 C LYS A 21 12.385 29.405 -21.914 1.00 62.33 C ATOM 287 O LYS A 21 12.060 28.248 -21.859 1.00 53.21 O ATOM 288 CB LYS A 21 11.218 29.967 -19.791 1.00 51.12 C ATOM 289 CG LYS A 21 10.445 30.975 -18.968 1.00 73.12 C ATOM 290 CD LYS A 21 10.335 30.535 -17.527 1.00 61.11 C ATOM 291 CE LYS A 21 11.706 30.426 -16.873 1.00 54.21 C ATOM 292 NZ LYS A 21 12.459 31.702 -16.919 1.00 21.24 N ATOM 0 H LYS A 21 9.718 29.916 -22.036 1.00 53.13 H new ATOM 0 HA LYS A 21 12.116 31.376 -21.092 1.00 54.21 H new ATOM 0 HB2 LYS A 21 10.636 29.048 -19.862 1.00 51.12 H new ATOM 0 HB3 LYS A 21 12.143 29.720 -19.270 1.00 51.12 H new ATOM 0 HG2 LYS A 21 10.940 31.945 -19.018 1.00 73.12 H new ATOM 0 HG3 LYS A 21 9.448 31.104 -19.389 1.00 73.12 H new ATOM 0 HD2 LYS A 21 9.722 31.246 -16.974 1.00 61.11 H new ATOM 0 HD3 LYS A 21 9.829 29.571 -17.477 1.00 61.11 H new ATOM 0 HE2 LYS A 21 11.586 30.115 -15.835 1.00 54.21 H new ATOM 0 HE3 LYS A 21 12.283 29.649 -17.374 1.00 54.21 H new ATOM 0 HZ1 LYS A 21 13.278 31.645 -16.280 1.00 21.24 H new ATOM 0 HZ2 LYS A 21 12.789 31.875 -17.890 1.00 21.24 H new ATOM 0 HZ3 LYS A 21 11.839 32.482 -16.620 1.00 21.24 H new ATOM 306 N PRO A 22 13.439 29.822 -22.643 1.00 24.21 N ATOM 307 CA PRO A 22 14.310 28.914 -23.377 1.00 35.30 C ATOM 308 C PRO A 22 15.384 28.357 -22.462 1.00 72.23 C ATOM 309 O PRO A 22 16.347 29.057 -22.118 1.00 25.42 O ATOM 310 CB PRO A 22 14.945 29.812 -24.460 1.00 74.54 C ATOM 311 CG PRO A 22 14.487 31.213 -24.165 1.00 63.12 C ATOM 312 CD PRO A 22 13.875 31.202 -22.795 1.00 73.55 C ATOM 0 HA PRO A 22 13.777 28.058 -23.791 1.00 35.30 H new ATOM 0 HB2 PRO A 22 16.033 29.744 -24.433 1.00 74.54 H new ATOM 0 HB3 PRO A 22 14.631 29.501 -25.456 1.00 74.54 H new ATOM 0 HG2 PRO A 22 15.325 31.908 -24.206 1.00 63.12 H new ATOM 0 HG3 PRO A 22 13.761 31.545 -24.908 1.00 63.12 H new ATOM 0 HD2 PRO A 22 14.597 31.484 -22.028 1.00 73.55 H new ATOM 0 HD3 PRO A 22 13.041 31.900 -22.720 1.00 73.55 H new ATOM 320 N GLU A 23 15.237 27.127 -22.072 1.00 0.25 N ATOM 321 CA GLU A 23 16.106 26.535 -21.094 1.00 23.01 C ATOM 322 C GLU A 23 16.512 25.148 -21.584 1.00 74.34 C ATOM 323 O GLU A 23 15.947 24.632 -22.579 1.00 42.04 O ATOM 324 CB GLU A 23 15.296 26.352 -19.796 1.00 2.43 C ATOM 325 CG GLU A 23 14.619 27.614 -19.267 1.00 43.43 C ATOM 326 CD GLU A 23 13.766 27.340 -18.058 1.00 24.25 C ATOM 327 OE1 GLU A 23 12.886 26.446 -18.108 1.00 62.42 O ATOM 328 OE2 GLU A 23 13.981 27.969 -16.992 1.00 61.32 O ATOM 0 H GLU A 23 14.511 26.502 -22.422 1.00 0.25 H new ATOM 0 HA GLU A 23 16.984 27.160 -20.932 1.00 23.01 H new ATOM 0 HB2 GLU A 23 14.532 25.594 -19.968 1.00 2.43 H new ATOM 0 HB3 GLU A 23 15.961 25.965 -19.024 1.00 2.43 H new ATOM 0 HG2 GLU A 23 15.379 28.352 -19.013 1.00 43.43 H new ATOM 0 HG3 GLU A 23 14.002 28.050 -20.053 1.00 43.43 H new ATOM 335 N GLN A 24 17.454 24.546 -20.896 1.00 32.44 N ATOM 336 CA GLN A 24 17.674 23.139 -21.022 1.00 62.21 C ATOM 337 C GLN A 24 16.821 22.499 -20.062 1.00 13.35 C ATOM 338 O GLN A 24 16.806 22.882 -18.897 1.00 71.30 O ATOM 339 CB GLN A 24 19.105 22.658 -20.938 1.00 22.20 C ATOM 340 CG GLN A 24 19.913 23.081 -22.107 1.00 71.45 C ATOM 341 CD GLN A 24 21.384 22.850 -21.919 1.00 1.11 C ATOM 342 OE1 GLN A 24 22.107 23.722 -21.435 1.00 11.42 O ATOM 343 NE2 GLN A 24 21.841 21.677 -22.285 1.00 73.24 N ATOM 0 H GLN A 24 18.079 25.018 -20.242 1.00 32.44 H new ATOM 0 HA GLN A 24 17.424 22.862 -22.046 1.00 62.21 H new ATOM 0 HB2 GLN A 24 19.562 23.042 -20.026 1.00 22.20 H new ATOM 0 HB3 GLN A 24 19.116 21.570 -20.866 1.00 22.20 H new ATOM 0 HG2 GLN A 24 19.576 22.538 -22.990 1.00 71.45 H new ATOM 0 HG3 GLN A 24 19.739 24.140 -22.298 1.00 71.45 H new ATOM 0 HE21 GLN A 24 21.207 20.984 -22.682 1.00 73.24 H new ATOM 0 HE22 GLN A 24 22.831 21.458 -22.173 1.00 73.24 H new ATOM 352 N ARG A 25 16.190 21.507 -20.475 1.00 11.23 N ATOM 353 CA ARG A 25 15.404 20.680 -19.620 1.00 73.35 C ATOM 354 C ARG A 25 15.711 19.317 -19.989 1.00 30.40 C ATOM 355 O ARG A 25 16.481 19.133 -20.901 1.00 75.00 O ATOM 356 CB ARG A 25 13.948 20.957 -19.765 1.00 33.13 C ATOM 357 CG ARG A 25 13.562 22.375 -19.291 1.00 63.40 C ATOM 358 CD ARG A 25 14.022 22.558 -17.868 1.00 20.04 C ATOM 359 NE ARG A 25 13.833 23.901 -17.303 1.00 11.11 N ATOM 360 CZ ARG A 25 14.303 24.269 -16.092 1.00 31.15 C ATOM 361 NH1 ARG A 25 14.980 23.400 -15.338 1.00 1.42 N ATOM 362 NH2 ARG A 25 14.142 25.500 -15.665 1.00 52.35 N ATOM 0 H ARG A 25 16.187 21.211 -21.451 1.00 11.23 H new ATOM 0 HA ARG A 25 15.639 20.875 -18.574 1.00 73.35 H new ATOM 0 HB2 ARG A 25 13.662 20.837 -20.810 1.00 33.13 H new ATOM 0 HB3 ARG A 25 13.383 20.221 -19.193 1.00 33.13 H new ATOM 0 HG2 ARG A 25 14.021 23.125 -19.935 1.00 63.40 H new ATOM 0 HG3 ARG A 25 12.483 22.514 -19.359 1.00 63.40 H new ATOM 0 HD2 ARG A 25 13.492 21.842 -17.240 1.00 20.04 H new ATOM 0 HD3 ARG A 25 15.081 22.307 -17.813 1.00 20.04 H new ATOM 0 HE ARG A 25 13.321 24.590 -17.853 1.00 11.11 H new ATOM 0 HH11 ARG A 25 15.145 22.452 -15.676 1.00 1.42 H new ATOM 0 HH12 ARG A 25 15.332 23.684 -14.424 1.00 1.42 H new ATOM 0 HH21 ARG A 25 13.660 26.183 -16.249 1.00 52.35 H new ATOM 0 HH22 ARG A 25 14.499 25.773 -14.749 1.00 52.35 H new ATOM 376 N ILE A 26 15.113 18.356 -19.374 1.00 50.12 N ATOM 377 CA ILE A 26 15.584 17.034 -19.566 1.00 53.31 C ATOM 378 C ILE A 26 14.388 16.059 -19.639 1.00 50.22 C ATOM 379 O ILE A 26 13.461 16.184 -18.864 1.00 11.20 O ATOM 380 CB ILE A 26 16.449 16.644 -18.317 1.00 33.52 C ATOM 381 CG1 ILE A 26 17.517 17.691 -18.018 1.00 44.44 C ATOM 382 CG2 ILE A 26 17.184 15.373 -18.615 1.00 43.13 C ATOM 383 CD1 ILE A 26 18.065 17.592 -16.631 1.00 21.02 C ATOM 0 H ILE A 26 14.314 18.458 -18.748 1.00 50.12 H new ATOM 0 HA ILE A 26 16.163 16.978 -20.488 1.00 53.31 H new ATOM 0 HB ILE A 26 15.770 16.552 -17.469 1.00 33.52 H new ATOM 0 HG12 ILE A 26 18.333 17.583 -18.733 1.00 44.44 H new ATOM 0 HG13 ILE A 26 17.094 18.685 -18.165 1.00 44.44 H new ATOM 0 HG21 ILE A 26 17.789 15.092 -17.753 1.00 43.13 H new ATOM 0 HG22 ILE A 26 16.467 14.580 -18.829 1.00 43.13 H new ATOM 0 HG23 ILE A 26 17.831 15.521 -19.480 1.00 43.13 H new ATOM 0 HD11 ILE A 26 18.820 18.364 -16.482 1.00 21.02 H new ATOM 0 HD12 ILE A 26 17.259 17.729 -15.911 1.00 21.02 H new ATOM 0 HD13 ILE A 26 18.517 16.610 -16.487 1.00 21.02 H new ATOM 395 N TYR A 27 14.387 15.169 -20.596 1.00 12.31 N ATOM 396 CA TYR A 27 13.235 14.320 -20.871 1.00 13.21 C ATOM 397 C TYR A 27 13.806 12.932 -21.174 1.00 21.21 C ATOM 398 O TYR A 27 14.976 12.804 -21.568 1.00 2.00 O ATOM 399 CB TYR A 27 12.439 14.859 -22.102 1.00 21.11 C ATOM 400 CG TYR A 27 13.141 14.754 -23.433 1.00 73.12 C ATOM 401 CD1 TYR A 27 14.050 15.699 -23.847 1.00 3.44 C ATOM 402 CD2 TYR A 27 12.874 13.685 -24.284 1.00 20.42 C ATOM 403 CE1 TYR A 27 14.683 15.573 -25.080 1.00 3.34 C ATOM 404 CE2 TYR A 27 13.495 13.563 -25.500 1.00 53.42 C ATOM 405 CZ TYR A 27 14.405 14.509 -25.891 1.00 25.43 C ATOM 406 OH TYR A 27 15.024 14.407 -27.124 1.00 25.44 O ATOM 0 H TYR A 27 15.182 15.004 -21.214 1.00 12.31 H new ATOM 0 HA TYR A 27 12.544 14.298 -20.028 1.00 13.21 H new ATOM 0 HB2 TYR A 27 11.495 14.318 -22.166 1.00 21.11 H new ATOM 0 HB3 TYR A 27 12.194 15.906 -21.923 1.00 21.11 H new ATOM 0 HD1 TYR A 27 14.274 16.543 -23.212 1.00 3.44 H new ATOM 0 HD2 TYR A 27 12.161 12.934 -23.979 1.00 20.42 H new ATOM 0 HE1 TYR A 27 15.397 16.319 -25.397 1.00 3.34 H new ATOM 0 HE2 TYR A 27 13.268 12.727 -26.145 1.00 53.42 H new ATOM 0 HH TYR A 27 14.719 13.593 -27.577 1.00 25.44 H new ATOM 416 N TYR A 28 13.002 11.901 -21.006 1.00 72.13 N ATOM 417 CA TYR A 28 13.432 10.544 -21.227 1.00 62.43 C ATOM 418 C TYR A 28 13.280 10.204 -22.712 1.00 32.41 C ATOM 419 O TYR A 28 12.284 10.529 -23.348 1.00 50.21 O ATOM 420 CB TYR A 28 12.683 9.566 -20.274 1.00 21.23 C ATOM 421 CG TYR A 28 12.886 8.051 -20.454 1.00 61.42 C ATOM 422 CD1 TYR A 28 13.897 7.363 -19.829 1.00 33.10 C ATOM 423 CD2 TYR A 28 11.973 7.314 -21.184 1.00 62.40 C ATOM 424 CE1 TYR A 28 13.986 5.982 -19.926 1.00 63.00 C ATOM 425 CE2 TYR A 28 12.060 5.953 -21.302 1.00 14.41 C ATOM 426 CZ TYR A 28 13.061 5.291 -20.668 1.00 32.52 C ATOM 427 OH TYR A 28 13.120 3.925 -20.744 1.00 31.24 O ATOM 0 H TYR A 28 12.029 11.986 -20.711 1.00 72.13 H new ATOM 0 HA TYR A 28 14.488 10.433 -20.981 1.00 62.43 H new ATOM 0 HB2 TYR A 28 12.969 9.818 -19.253 1.00 21.23 H new ATOM 0 HB3 TYR A 28 11.616 9.769 -20.366 1.00 21.23 H new ATOM 0 HD1 TYR A 28 14.633 7.905 -19.254 1.00 33.10 H new ATOM 0 HD2 TYR A 28 11.163 7.830 -21.678 1.00 62.40 H new ATOM 0 HE1 TYR A 28 14.780 5.453 -19.420 1.00 63.00 H new ATOM 0 HE2 TYR A 28 11.338 5.411 -21.895 1.00 14.41 H new ATOM 0 HH TYR A 28 12.390 3.597 -21.309 1.00 31.24 H new ATOM 437 N ASN A 29 14.315 9.635 -23.234 1.00 43.21 N ATOM 438 CA ASN A 29 14.226 9.198 -24.620 1.00 4.32 C ATOM 439 C ASN A 29 13.313 8.011 -24.673 1.00 23.24 C ATOM 440 O ASN A 29 13.408 7.078 -23.900 1.00 52.45 O ATOM 441 CB ASN A 29 15.559 8.754 -25.198 1.00 22.24 C ATOM 442 CG ASN A 29 16.595 9.809 -25.346 1.00 1.40 C ATOM 443 OD1 ASN A 29 17.756 9.543 -25.149 1.00 74.14 O ATOM 444 ND2 ASN A 29 16.221 10.946 -25.828 1.00 12.20 N ATOM 0 H ASN A 29 15.202 9.459 -22.762 1.00 43.21 H new ATOM 0 HA ASN A 29 13.869 10.048 -25.201 1.00 4.32 H new ATOM 0 HB2 ASN A 29 15.962 7.965 -24.563 1.00 22.24 H new ATOM 0 HB3 ASN A 29 15.377 8.313 -26.178 1.00 22.24 H new ATOM 0 HD21 ASN A 29 16.916 11.657 -26.056 1.00 12.20 H new ATOM 0 HD22 ASN A 29 15.230 11.134 -25.981 1.00 12.20 H new ATOM 451 N SER A 30 12.569 8.026 -25.747 1.00 44.23 N ATOM 452 CA SER A 30 11.457 7.138 -26.020 1.00 40.54 C ATOM 453 C SER A 30 12.124 5.885 -26.615 1.00 12.14 C ATOM 454 O SER A 30 12.054 4.780 -26.085 1.00 42.32 O ATOM 455 CB SER A 30 10.578 7.804 -27.092 1.00 34.10 C ATOM 456 OG SER A 30 10.202 9.123 -26.707 1.00 60.30 O ATOM 0 H SER A 30 12.727 8.694 -26.501 1.00 44.23 H new ATOM 0 HA SER A 30 10.844 6.912 -25.148 1.00 40.54 H new ATOM 0 HB2 SER A 30 11.118 7.839 -28.038 1.00 34.10 H new ATOM 0 HB3 SER A 30 9.684 7.202 -27.258 1.00 34.10 H new ATOM 0 HG SER A 30 9.261 9.128 -26.432 1.00 60.30 H new ATOM 462 N ALA A 31 12.774 6.144 -27.759 1.00 42.41 N ATOM 463 CA ALA A 31 13.601 5.166 -28.457 1.00 44.34 C ATOM 464 C ALA A 31 14.725 4.642 -27.541 1.00 12.41 C ATOM 465 O ALA A 31 14.812 3.468 -27.185 1.00 32.22 O ATOM 466 CB ALA A 31 14.172 5.773 -29.733 1.00 1.04 C ATOM 0 H ALA A 31 12.736 7.050 -28.225 1.00 42.41 H new ATOM 0 HA ALA A 31 12.975 4.317 -28.731 1.00 44.34 H new ATOM 0 HB1 ALA A 31 14.787 5.033 -30.244 1.00 1.04 H new ATOM 0 HB2 ALA A 31 13.356 6.080 -30.387 1.00 1.04 H new ATOM 0 HB3 ALA A 31 14.782 6.641 -29.482 1.00 1.04 H new ATOM 472 N LYS A 32 15.520 5.624 -27.154 1.00 64.55 N ATOM 473 CA LYS A 32 16.899 5.383 -26.659 1.00 31.42 C ATOM 474 C LYS A 32 17.024 5.097 -25.175 1.00 53.13 C ATOM 475 O LYS A 32 18.041 4.617 -24.674 1.00 51.35 O ATOM 476 CB LYS A 32 17.761 6.582 -26.975 1.00 62.01 C ATOM 477 CG LYS A 32 17.713 6.969 -28.413 1.00 32.33 C ATOM 478 CD LYS A 32 18.769 7.991 -28.749 1.00 52.01 C ATOM 479 CE LYS A 32 18.757 8.344 -30.230 1.00 54.54 C ATOM 480 NZ LYS A 32 19.701 9.438 -30.540 1.00 12.15 N ATOM 0 H LYS A 32 15.249 6.607 -27.167 1.00 64.55 H new ATOM 0 HA LYS A 32 17.224 4.478 -27.173 1.00 31.42 H new ATOM 0 HB2 LYS A 32 17.437 7.426 -26.366 1.00 62.01 H new ATOM 0 HB3 LYS A 32 18.792 6.365 -26.697 1.00 62.01 H new ATOM 0 HG2 LYS A 32 17.852 6.084 -29.033 1.00 32.33 H new ATOM 0 HG3 LYS A 32 16.728 7.372 -28.649 1.00 32.33 H new ATOM 0 HD2 LYS A 32 18.605 8.892 -28.158 1.00 52.01 H new ATOM 0 HD3 LYS A 32 19.751 7.604 -28.475 1.00 52.01 H new ATOM 0 HE2 LYS A 32 19.017 7.462 -30.816 1.00 54.54 H new ATOM 0 HE3 LYS A 32 17.750 8.638 -30.526 1.00 54.54 H new ATOM 0 HZ1 LYS A 32 19.665 9.650 -31.557 1.00 12.15 H new ATOM 0 HZ2 LYS A 32 19.438 10.287 -30.000 1.00 12.15 H new ATOM 0 HZ3 LYS A 32 20.666 9.148 -30.281 1.00 12.15 H new ATOM 494 N LYS A 33 15.902 5.368 -24.539 1.00 40.02 N ATOM 495 CA LYS A 33 15.684 5.062 -23.128 1.00 14.13 C ATOM 496 C LYS A 33 16.778 5.654 -22.222 1.00 24.04 C ATOM 497 O LYS A 33 17.366 4.975 -21.397 1.00 2.40 O ATOM 498 CB LYS A 33 15.524 3.558 -22.957 1.00 61.54 C ATOM 499 CG LYS A 33 14.373 3.099 -23.798 1.00 55.43 C ATOM 500 CD LYS A 33 13.854 1.762 -23.464 1.00 31.52 C ATOM 501 CE LYS A 33 12.507 1.693 -24.097 1.00 71.33 C ATOM 502 NZ LYS A 33 11.755 0.467 -23.757 1.00 43.34 N ATOM 0 H LYS A 33 15.102 5.813 -24.988 1.00 40.02 H new ATOM 0 HA LYS A 33 14.761 5.543 -22.804 1.00 14.13 H new ATOM 0 HB2 LYS A 33 16.438 3.044 -23.255 1.00 61.54 H new ATOM 0 HB3 LYS A 33 15.348 3.313 -21.910 1.00 61.54 H new ATOM 0 HG2 LYS A 33 13.562 3.821 -23.703 1.00 55.43 H new ATOM 0 HG3 LYS A 33 14.682 3.102 -24.843 1.00 55.43 H new ATOM 0 HD2 LYS A 33 14.509 0.979 -23.847 1.00 31.52 H new ATOM 0 HD3 LYS A 33 13.789 1.624 -22.385 1.00 31.52 H new ATOM 0 HE2 LYS A 33 11.926 2.562 -23.790 1.00 71.33 H new ATOM 0 HE3 LYS A 33 12.620 1.751 -25.180 1.00 71.33 H new ATOM 0 HZ1 LYS A 33 10.829 0.485 -24.230 1.00 43.34 H new ATOM 0 HZ2 LYS A 33 12.289 -0.367 -24.074 1.00 43.34 H new ATOM 0 HZ3 LYS A 33 11.616 0.419 -22.727 1.00 43.34 H new ATOM 516 N GLN A 34 17.044 6.920 -22.469 1.00 64.33 N ATOM 517 CA GLN A 34 18.040 7.722 -21.744 1.00 50.54 C ATOM 518 C GLN A 34 17.277 8.912 -21.180 1.00 24.02 C ATOM 519 O GLN A 34 16.078 8.979 -21.319 1.00 61.32 O ATOM 520 CB GLN A 34 19.112 8.256 -22.698 1.00 13.21 C ATOM 521 CG GLN A 34 19.821 7.217 -23.536 1.00 74.42 C ATOM 522 CD GLN A 34 20.838 7.845 -24.465 1.00 13.53 C ATOM 523 OE1 GLN A 34 22.008 7.980 -24.127 1.00 53.13 O ATOM 524 NE2 GLN A 34 20.388 8.315 -25.595 1.00 35.44 N ATOM 0 H GLN A 34 16.565 7.446 -23.200 1.00 64.33 H new ATOM 0 HA GLN A 34 18.531 7.121 -20.979 1.00 50.54 H new ATOM 0 HB2 GLN A 34 18.648 8.981 -23.367 1.00 13.21 H new ATOM 0 HB3 GLN A 34 19.857 8.794 -22.113 1.00 13.21 H new ATOM 0 HG2 GLN A 34 20.319 6.500 -22.883 1.00 74.42 H new ATOM 0 HG3 GLN A 34 19.089 6.660 -24.121 1.00 74.42 H new ATOM 0 HE21 GLN A 34 19.408 8.186 -25.847 1.00 35.44 H new ATOM 0 HE22 GLN A 34 21.016 8.812 -26.227 1.00 35.44 H new ATOM 533 N CYS A 35 17.984 9.883 -20.644 1.00 13.35 N ATOM 534 CA CYS A 35 17.292 11.061 -20.144 1.00 11.33 C ATOM 535 C CYS A 35 18.139 12.147 -20.663 1.00 44.24 C ATOM 536 O CYS A 35 19.238 12.371 -20.149 1.00 73.03 O ATOM 537 CB CYS A 35 17.203 11.146 -18.609 1.00 62.22 C ATOM 538 SG CYS A 35 16.138 12.538 -18.011 1.00 11.22 S ATOM 0 H CYS A 35 18.999 9.889 -20.543 1.00 13.35 H new ATOM 0 HA CYS A 35 16.249 11.078 -20.460 1.00 11.33 H new ATOM 0 HB2 CYS A 35 16.810 10.206 -18.222 1.00 62.22 H new ATOM 0 HB3 CYS A 35 18.206 11.264 -18.200 1.00 62.22 H new ATOM 543 N VAL A 36 17.735 12.771 -21.710 1.00 33.34 N ATOM 544 CA VAL A 36 18.540 13.751 -22.352 1.00 22.52 C ATOM 545 C VAL A 36 17.856 15.092 -22.257 1.00 42.51 C ATOM 546 O VAL A 36 16.701 15.180 -21.909 1.00 61.23 O ATOM 547 CB VAL A 36 18.733 13.406 -23.856 1.00 20.44 C ATOM 548 CG1 VAL A 36 19.284 12.013 -24.045 1.00 2.24 C ATOM 549 CG2 VAL A 36 17.429 13.513 -24.594 1.00 4.13 C ATOM 0 H VAL A 36 16.828 12.616 -22.151 1.00 33.34 H new ATOM 0 HA VAL A 36 19.513 13.775 -21.861 1.00 22.52 H new ATOM 0 HB VAL A 36 19.449 14.124 -24.256 1.00 20.44 H new ATOM 0 HG11 VAL A 36 19.404 11.811 -25.109 1.00 2.24 H new ATOM 0 HG12 VAL A 36 20.251 11.934 -23.549 1.00 2.24 H new ATOM 0 HG13 VAL A 36 18.595 11.287 -23.613 1.00 2.24 H new ATOM 0 HG21 VAL A 36 17.584 13.268 -25.645 1.00 4.13 H new ATOM 0 HG22 VAL A 36 16.708 12.818 -24.162 1.00 4.13 H new ATOM 0 HG23 VAL A 36 17.047 14.530 -24.511 1.00 4.13 H new ATOM 559 N THR A 37 18.586 16.120 -22.568 1.00 32.42 N ATOM 560 CA THR A 37 18.069 17.445 -22.540 1.00 14.44 C ATOM 561 C THR A 37 17.339 17.832 -23.806 1.00 2.31 C ATOM 562 O THR A 37 17.574 17.267 -24.878 1.00 64.53 O ATOM 563 CB THR A 37 19.178 18.498 -22.216 1.00 5.43 C ATOM 564 OG1 THR A 37 20.291 18.372 -23.124 1.00 61.24 O ATOM 565 CG2 THR A 37 19.655 18.341 -20.796 1.00 20.41 C ATOM 0 H THR A 37 19.564 16.057 -22.850 1.00 32.42 H new ATOM 0 HA THR A 37 17.336 17.447 -21.733 1.00 14.44 H new ATOM 0 HB THR A 37 18.743 19.490 -22.337 1.00 5.43 H new ATOM 0 HG1 THR A 37 21.035 18.927 -22.809 1.00 61.24 H new ATOM 0 HG21 THR A 37 20.427 19.082 -20.587 1.00 20.41 H new ATOM 0 HG22 THR A 37 18.818 18.487 -20.113 1.00 20.41 H new ATOM 0 HG23 THR A 37 20.066 17.341 -20.659 1.00 20.41 H new ATOM 573 N PHE A 38 16.458 18.794 -23.663 1.00 44.10 N ATOM 574 CA PHE A 38 15.716 19.288 -24.745 1.00 2.24 C ATOM 575 C PHE A 38 15.596 20.726 -24.575 1.00 62.44 C ATOM 576 O PHE A 38 15.825 21.273 -23.473 1.00 31.10 O ATOM 577 CB PHE A 38 14.313 18.741 -24.871 1.00 44.43 C ATOM 578 CG PHE A 38 13.280 19.093 -23.856 1.00 50.14 C ATOM 579 CD1 PHE A 38 13.249 18.564 -22.588 1.00 43.23 C ATOM 580 CD2 PHE A 38 12.282 19.953 -24.247 1.00 43.01 C ATOM 581 CE1 PHE A 38 12.229 18.902 -21.729 1.00 5.44 C ATOM 582 CE2 PHE A 38 11.276 20.306 -23.420 1.00 34.23 C ATOM 583 CZ PHE A 38 11.240 19.780 -22.145 1.00 0.33 C ATOM 0 H PHE A 38 16.251 19.246 -22.772 1.00 44.10 H new ATOM 0 HA PHE A 38 16.253 18.981 -25.643 1.00 2.24 H new ATOM 0 HB2 PHE A 38 13.931 19.052 -25.843 1.00 44.43 H new ATOM 0 HB3 PHE A 38 14.390 17.654 -24.891 1.00 44.43 H new ATOM 0 HD1 PHE A 38 14.024 17.884 -22.266 1.00 43.23 H new ATOM 0 HD2 PHE A 38 12.304 20.359 -25.248 1.00 43.01 H new ATOM 0 HE1 PHE A 38 12.199 18.485 -20.733 1.00 5.44 H new ATOM 0 HE2 PHE A 38 10.510 20.991 -23.752 1.00 34.23 H new ATOM 0 HZ PHE A 38 10.441 20.052 -21.471 1.00 0.33 H new ATOM 593 N THR A 39 15.295 21.333 -25.634 1.00 43.11 N ATOM 594 CA THR A 39 15.073 22.715 -25.708 1.00 21.31 C ATOM 595 C THR A 39 13.669 22.989 -25.188 1.00 22.04 C ATOM 596 O THR A 39 12.674 22.746 -25.874 1.00 10.42 O ATOM 597 CB THR A 39 15.102 23.107 -27.170 1.00 71.44 C ATOM 598 OG1 THR A 39 16.346 22.646 -27.750 1.00 52.11 O ATOM 599 CG2 THR A 39 14.988 24.615 -27.335 1.00 60.02 C ATOM 0 H THR A 39 15.188 20.859 -26.531 1.00 43.11 H new ATOM 0 HA THR A 39 15.820 23.264 -25.135 1.00 21.31 H new ATOM 0 HB THR A 39 14.253 22.648 -27.677 1.00 71.44 H new ATOM 0 HG1 THR A 39 16.376 22.893 -28.698 1.00 52.11 H new ATOM 0 HG21 THR A 39 15.012 24.868 -28.395 1.00 60.02 H new ATOM 0 HG22 THR A 39 14.049 24.959 -26.901 1.00 60.02 H new ATOM 0 HG23 THR A 39 15.822 25.101 -26.828 1.00 60.02 H new ATOM 607 N TYR A 40 13.603 23.459 -23.990 1.00 34.42 N ATOM 608 CA TYR A 40 12.319 23.738 -23.460 1.00 64.13 C ATOM 609 C TYR A 40 12.037 25.180 -23.588 1.00 31.51 C ATOM 610 O TYR A 40 12.750 25.972 -23.021 1.00 31.21 O ATOM 611 CB TYR A 40 12.204 23.268 -22.003 1.00 14.30 C ATOM 612 CG TYR A 40 10.869 23.541 -21.271 1.00 44.23 C ATOM 613 CD1 TYR A 40 9.794 22.615 -21.277 1.00 63.33 C ATOM 614 CD2 TYR A 40 10.694 24.721 -20.552 1.00 15.21 C ATOM 615 CE1 TYR A 40 8.622 22.891 -20.603 1.00 12.04 C ATOM 616 CE2 TYR A 40 9.521 24.988 -19.883 1.00 44.10 C ATOM 617 CZ TYR A 40 8.488 24.073 -19.912 1.00 25.21 C ATOM 618 OH TYR A 40 7.300 24.355 -19.258 1.00 63.11 O ATOM 0 H TYR A 40 14.396 23.652 -23.378 1.00 34.42 H new ATOM 0 HA TYR A 40 11.572 23.184 -24.029 1.00 64.13 H new ATOM 0 HB2 TYR A 40 12.387 22.194 -21.980 1.00 14.30 H new ATOM 0 HB3 TYR A 40 13.004 23.740 -21.432 1.00 14.30 H new ATOM 0 HD1 TYR A 40 9.894 21.684 -21.815 1.00 63.33 H new ATOM 0 HD2 TYR A 40 11.497 25.443 -20.519 1.00 15.21 H new ATOM 0 HE1 TYR A 40 7.810 22.179 -20.618 1.00 12.04 H new ATOM 0 HE2 TYR A 40 9.409 25.912 -19.336 1.00 44.10 H new ATOM 0 HH TYR A 40 7.368 25.228 -18.817 1.00 63.11 H new ATOM 628 N ASN A 41 11.132 25.537 -24.460 1.00 44.33 N ATOM 629 CA ASN A 41 10.826 26.921 -24.650 1.00 41.54 C ATOM 630 C ASN A 41 9.666 27.292 -23.792 1.00 22.42 C ATOM 631 O ASN A 41 9.469 28.454 -23.469 1.00 31.31 O ATOM 632 CB ASN A 41 10.634 27.295 -26.118 1.00 52.52 C ATOM 633 CG ASN A 41 11.896 27.158 -26.960 1.00 54.22 C ATOM 634 OD1 ASN A 41 13.043 27.375 -26.369 1.00 20.31 O flip ATOM 635 ND2 ASN A 41 11.828 26.882 -28.150 1.00 14.32 N flip ATOM 0 H ASN A 41 10.600 24.891 -25.044 1.00 44.33 H new ATOM 0 HA ASN A 41 11.686 27.511 -24.335 1.00 41.54 H new ATOM 0 HB2 ASN A 41 9.854 26.664 -26.545 1.00 52.52 H new ATOM 0 HB3 ASN A 41 10.279 28.324 -26.177 1.00 52.52 H new ATOM 0 HD21 ASN A 41 10.920 26.718 -28.584 1.00 14.32 H new ATOM 0 HD22 ASN A 41 12.679 26.816 -28.708 1.00 14.32 H new ATOM 642 N GLY A 42 8.850 26.307 -23.468 1.00 70.35 N ATOM 643 CA GLY A 42 7.951 26.489 -22.389 1.00 64.12 C ATOM 644 C GLY A 42 6.505 26.706 -22.683 1.00 23.22 C ATOM 645 O GLY A 42 5.788 27.123 -21.772 1.00 53.51 O ATOM 0 H GLY A 42 8.804 25.401 -23.934 1.00 70.35 H new ATOM 0 HA2 GLY A 42 8.028 25.613 -21.745 1.00 64.12 H new ATOM 0 HA3 GLY A 42 8.301 27.343 -21.809 1.00 64.12 H new ATOM 649 N LYS A 43 5.993 26.464 -23.875 1.00 41.42 N ATOM 650 CA LYS A 43 4.599 26.680 -24.172 1.00 43.14 C ATOM 651 C LYS A 43 4.077 25.481 -24.964 1.00 15.33 C ATOM 652 O LYS A 43 4.217 24.330 -24.554 1.00 32.12 O ATOM 653 CB LYS A 43 4.433 27.969 -25.038 1.00 20.51 C ATOM 654 CG LYS A 43 5.076 29.226 -24.508 1.00 12.22 C ATOM 655 CD LYS A 43 4.455 30.477 -25.112 1.00 32.41 C ATOM 656 CE LYS A 43 3.038 30.685 -24.597 1.00 30.14 C ATOM 657 NZ LYS A 43 2.445 31.948 -25.075 1.00 42.32 N ATOM 0 H LYS A 43 6.537 26.112 -24.663 1.00 41.42 H new ATOM 0 HA LYS A 43 4.042 26.797 -23.242 1.00 43.14 H new ATOM 0 HB2 LYS A 43 4.842 27.769 -26.029 1.00 20.51 H new ATOM 0 HB3 LYS A 43 3.367 28.159 -25.165 1.00 20.51 H new ATOM 0 HG2 LYS A 43 4.974 29.257 -23.423 1.00 12.22 H new ATOM 0 HG3 LYS A 43 6.144 29.208 -24.727 1.00 12.22 H new ATOM 0 HD2 LYS A 43 5.066 31.346 -24.867 1.00 32.41 H new ATOM 0 HD3 LYS A 43 4.442 30.393 -26.199 1.00 32.41 H new ATOM 0 HE2 LYS A 43 2.413 29.850 -24.915 1.00 30.14 H new ATOM 0 HE3 LYS A 43 3.046 30.680 -23.507 1.00 30.14 H new ATOM 0 HZ1 LYS A 43 1.481 32.044 -24.697 1.00 42.32 H new ATOM 0 HZ2 LYS A 43 3.025 32.748 -24.751 1.00 42.32 H new ATOM 0 HZ3 LYS A 43 2.411 31.944 -26.114 1.00 42.32 H new ATOM 671 N GLY A 44 3.500 25.860 -26.081 1.00 43.34 N ATOM 672 CA GLY A 44 3.008 24.985 -27.132 1.00 32.41 C ATOM 673 C GLY A 44 3.338 23.515 -27.098 1.00 41.25 C ATOM 674 O GLY A 44 4.496 23.098 -27.286 1.00 63.24 O ATOM 0 H GLY A 44 3.350 26.845 -26.298 1.00 43.34 H new ATOM 0 HA2 GLY A 44 1.922 25.074 -27.147 1.00 32.41 H new ATOM 0 HA3 GLY A 44 3.374 25.379 -28.080 1.00 32.41 H new ATOM 678 N GLY A 45 2.297 22.752 -26.910 1.00 65.12 N ATOM 679 CA GLY A 45 2.377 21.345 -27.025 1.00 33.14 C ATOM 680 C GLY A 45 2.827 20.638 -25.780 1.00 53.13 C ATOM 681 O GLY A 45 2.589 21.095 -24.640 1.00 41.13 O ATOM 0 H GLY A 45 1.369 23.103 -26.672 1.00 65.12 H new ATOM 0 HA2 GLY A 45 1.398 20.961 -27.310 1.00 33.14 H new ATOM 0 HA3 GLY A 45 3.064 21.099 -27.835 1.00 33.14 H new ATOM 685 N ASN A 46 3.463 19.492 -26.031 1.00 54.43 N ATOM 686 CA ASN A 46 3.919 18.701 -24.888 1.00 42.43 C ATOM 687 C ASN A 46 4.965 19.335 -24.013 1.00 15.03 C ATOM 688 O ASN A 46 5.932 19.962 -24.418 1.00 13.01 O ATOM 689 CB ASN A 46 4.424 17.291 -25.280 1.00 4.25 C ATOM 690 CG ASN A 46 3.368 16.365 -25.849 1.00 62.11 C ATOM 691 OD1 ASN A 46 2.672 15.647 -25.114 1.00 24.54 O ATOM 692 ND2 ASN A 46 3.279 16.325 -27.134 1.00 41.52 N ATOM 0 H ASN A 46 3.665 19.109 -26.954 1.00 54.43 H new ATOM 0 HA ASN A 46 3.002 18.634 -24.303 1.00 42.43 H new ATOM 0 HB2 ASN A 46 5.223 17.399 -26.013 1.00 4.25 H new ATOM 0 HB3 ASN A 46 4.861 16.821 -24.399 1.00 4.25 H new ATOM 0 HD21 ASN A 46 2.619 15.687 -27.580 1.00 41.52 H new ATOM 0 HD22 ASN A 46 3.868 16.931 -27.705 1.00 41.52 H new ATOM 699 N GLY A 47 4.698 19.039 -22.781 1.00 34.54 N ATOM 700 CA GLY A 47 5.491 19.539 -21.719 1.00 2.43 C ATOM 701 C GLY A 47 6.179 18.473 -20.987 1.00 25.42 C ATOM 702 O GLY A 47 6.258 18.521 -19.757 1.00 13.34 O ATOM 0 H GLY A 47 3.923 18.444 -22.489 1.00 34.54 H new ATOM 0 HA2 GLY A 47 6.228 20.237 -22.117 1.00 2.43 H new ATOM 0 HA3 GLY A 47 4.859 20.100 -21.030 1.00 2.43 H new ATOM 706 N ASN A 48 6.607 17.456 -21.704 1.00 61.03 N ATOM 707 CA ASN A 48 7.418 16.431 -21.095 1.00 73.30 C ATOM 708 C ASN A 48 8.738 17.058 -20.765 1.00 22.12 C ATOM 709 O ASN A 48 9.603 17.202 -21.620 1.00 42.42 O ATOM 710 CB ASN A 48 7.631 15.209 -21.985 1.00 73.44 C ATOM 711 CG ASN A 48 8.411 14.147 -21.229 1.00 32.51 C ATOM 712 OD1 ASN A 48 8.324 14.069 -20.006 1.00 20.43 O ATOM 713 ND2 ASN A 48 9.157 13.329 -21.918 1.00 10.23 N ATOM 0 H ASN A 48 6.409 17.320 -22.695 1.00 61.03 H new ATOM 0 HA ASN A 48 6.901 16.060 -20.210 1.00 73.30 H new ATOM 0 HB2 ASN A 48 6.669 14.808 -22.303 1.00 73.44 H new ATOM 0 HB3 ASN A 48 8.171 15.495 -22.887 1.00 73.44 H new ATOM 0 HD21 ASN A 48 9.688 12.600 -21.442 1.00 10.23 H new ATOM 0 HD22 ASN A 48 9.209 13.418 -22.933 1.00 10.23 H new ATOM 720 N ASN A 49 8.861 17.444 -19.542 1.00 73.03 N ATOM 721 CA ASN A 49 9.906 18.211 -19.001 1.00 62.32 C ATOM 722 C ASN A 49 10.229 17.697 -17.644 1.00 63.43 C ATOM 723 O ASN A 49 9.351 17.672 -16.762 1.00 70.01 O ATOM 724 CB ASN A 49 9.398 19.659 -18.838 1.00 53.22 C ATOM 725 CG ASN A 49 10.357 20.575 -18.087 1.00 73.43 C ATOM 726 OD1 ASN A 49 11.548 20.394 -18.107 1.00 12.03 O ATOM 727 ND2 ASN A 49 9.814 21.544 -17.384 1.00 21.10 N ATOM 0 H ASN A 49 8.163 17.203 -18.839 1.00 73.03 H new ATOM 0 HA ASN A 49 10.781 18.163 -19.649 1.00 62.32 H new ATOM 0 HB2 ASN A 49 9.210 20.080 -19.826 1.00 53.22 H new ATOM 0 HB3 ASN A 49 8.444 19.641 -18.312 1.00 53.22 H new ATOM 0 HD21 ASN A 49 10.405 22.168 -16.835 1.00 21.10 H new ATOM 0 HD22 ASN A 49 8.802 21.671 -17.388 1.00 21.10 H new ATOM 734 N PHE A 50 11.420 17.258 -17.444 1.00 23.14 N ATOM 735 CA PHE A 50 11.873 16.995 -16.138 1.00 61.35 C ATOM 736 C PHE A 50 12.965 18.006 -15.936 1.00 20.32 C ATOM 737 O PHE A 50 13.880 18.105 -16.736 1.00 61.15 O ATOM 738 CB PHE A 50 12.361 15.501 -15.945 1.00 31.21 C ATOM 739 CG PHE A 50 11.301 14.518 -16.362 1.00 10.31 C ATOM 740 CD1 PHE A 50 10.164 14.333 -15.592 1.00 41.12 C ATOM 741 CD2 PHE A 50 11.429 13.805 -17.544 1.00 25.32 C ATOM 742 CE1 PHE A 50 9.175 13.458 -15.995 1.00 3.14 C ATOM 743 CE2 PHE A 50 10.450 12.925 -17.948 1.00 55.30 C ATOM 744 CZ PHE A 50 9.318 12.752 -17.175 1.00 43.23 C ATOM 0 H PHE A 50 12.100 17.074 -18.181 1.00 23.14 H new ATOM 0 HA PHE A 50 11.082 17.087 -15.393 1.00 61.35 H new ATOM 0 HB2 PHE A 50 13.265 15.334 -16.531 1.00 31.21 H new ATOM 0 HB3 PHE A 50 12.623 15.334 -14.900 1.00 31.21 H new ATOM 0 HD1 PHE A 50 10.050 14.879 -14.667 1.00 41.12 H new ATOM 0 HD2 PHE A 50 12.308 13.942 -18.156 1.00 25.32 H new ATOM 0 HE1 PHE A 50 8.291 13.325 -15.389 1.00 3.14 H new ATOM 0 HE2 PHE A 50 10.567 12.371 -18.868 1.00 55.30 H new ATOM 0 HZ PHE A 50 8.546 12.066 -17.492 1.00 43.23 H new ATOM 754 N SER A 51 12.867 18.774 -14.920 1.00 73.31 N ATOM 755 CA SER A 51 13.688 19.928 -14.707 1.00 53.02 C ATOM 756 C SER A 51 14.674 19.669 -13.621 1.00 23.32 C ATOM 757 O SER A 51 15.478 20.531 -13.279 1.00 75.51 O ATOM 758 CB SER A 51 12.750 21.087 -14.385 1.00 23.42 C ATOM 759 OG SER A 51 11.879 20.729 -13.315 1.00 43.43 O ATOM 0 H SER A 51 12.187 18.620 -14.175 1.00 73.31 H new ATOM 0 HA SER A 51 14.276 20.174 -15.591 1.00 53.02 H new ATOM 0 HB2 SER A 51 13.329 21.969 -14.113 1.00 23.42 H new ATOM 0 HB3 SER A 51 12.166 21.349 -15.268 1.00 23.42 H new ATOM 0 HG SER A 51 11.282 21.480 -13.114 1.00 43.43 H new ATOM 765 N ARG A 52 14.656 18.488 -13.128 1.00 4.54 N ATOM 766 CA ARG A 52 15.500 18.092 -12.068 1.00 24.41 C ATOM 767 C ARG A 52 16.081 16.758 -12.484 1.00 33.22 C ATOM 768 O ARG A 52 15.348 15.828 -12.860 1.00 0.41 O ATOM 769 CB ARG A 52 14.667 17.981 -10.785 1.00 1.41 C ATOM 770 CG ARG A 52 14.055 19.288 -10.286 1.00 3.54 C ATOM 771 CD ARG A 52 15.116 20.267 -9.828 1.00 45.02 C ATOM 772 NE ARG A 52 15.847 19.763 -8.662 1.00 42.34 N ATOM 773 CZ ARG A 52 16.978 20.274 -8.177 1.00 42.22 C ATOM 774 NH1 ARG A 52 17.550 21.321 -8.765 1.00 31.33 N ATOM 775 NH2 ARG A 52 17.539 19.724 -7.103 1.00 54.42 N ATOM 0 H ARG A 52 14.036 17.750 -13.461 1.00 4.54 H new ATOM 0 HA ARG A 52 16.301 18.804 -11.868 1.00 24.41 H new ATOM 0 HB2 ARG A 52 13.863 17.265 -10.955 1.00 1.41 H new ATOM 0 HB3 ARG A 52 15.298 17.571 -9.997 1.00 1.41 H new ATOM 0 HG2 ARG A 52 13.463 19.740 -11.082 1.00 3.54 H new ATOM 0 HG3 ARG A 52 13.373 19.079 -9.462 1.00 3.54 H new ATOM 0 HD2 ARG A 52 15.815 20.455 -10.643 1.00 45.02 H new ATOM 0 HD3 ARG A 52 14.650 21.221 -9.582 1.00 45.02 H new ATOM 0 HE ARG A 52 15.457 18.952 -8.181 1.00 42.34 H new ATOM 0 HH11 ARG A 52 17.123 21.738 -9.592 1.00 31.33 H new ATOM 0 HH12 ARG A 52 18.416 21.707 -8.389 1.00 31.33 H new ATOM 0 HH21 ARG A 52 17.103 18.917 -6.657 1.00 54.42 H new ATOM 0 HH22 ARG A 52 18.405 20.110 -6.726 1.00 54.42 H new ATOM 789 N THR A 53 17.392 16.698 -12.460 1.00 75.43 N ATOM 790 CA THR A 53 18.176 15.582 -12.953 1.00 3.54 C ATOM 791 C THR A 53 17.870 14.289 -12.186 1.00 21.42 C ATOM 792 O THR A 53 17.686 13.226 -12.781 1.00 21.00 O ATOM 793 CB THR A 53 19.676 15.936 -12.842 1.00 3.40 C ATOM 794 OG1 THR A 53 19.910 17.192 -13.520 1.00 62.20 O ATOM 795 CG2 THR A 53 20.545 14.860 -13.482 1.00 21.11 C ATOM 0 H THR A 53 17.966 17.452 -12.083 1.00 75.43 H new ATOM 0 HA THR A 53 17.912 15.404 -13.995 1.00 3.54 H new ATOM 0 HB THR A 53 19.938 16.009 -11.787 1.00 3.40 H new ATOM 0 HG1 THR A 53 20.859 17.427 -13.454 1.00 62.20 H new ATOM 0 HG21 THR A 53 21.595 15.137 -13.388 1.00 21.11 H new ATOM 0 HG22 THR A 53 20.375 13.908 -12.979 1.00 21.11 H new ATOM 0 HG23 THR A 53 20.288 14.764 -14.537 1.00 21.11 H new ATOM 803 N ASN A 54 17.734 14.406 -10.887 1.00 64.33 N ATOM 804 CA ASN A 54 17.454 13.260 -10.017 1.00 2.24 C ATOM 805 C ASN A 54 15.973 12.942 -10.064 1.00 2.24 C ATOM 806 O ASN A 54 15.518 11.874 -9.658 1.00 0.11 O ATOM 807 CB ASN A 54 17.949 13.505 -8.576 1.00 31.30 C ATOM 808 CG ASN A 54 19.475 13.618 -8.469 1.00 53.14 C ATOM 809 OD1 ASN A 54 20.164 13.991 -9.426 1.00 35.02 O ATOM 810 ND2 ASN A 54 20.010 13.366 -7.301 1.00 50.54 N ATOM 0 H ASN A 54 17.812 15.294 -10.391 1.00 64.33 H new ATOM 0 HA ASN A 54 18.006 12.394 -10.383 1.00 2.24 H new ATOM 0 HB2 ASN A 54 17.496 14.420 -8.195 1.00 31.30 H new ATOM 0 HB3 ASN A 54 17.606 12.690 -7.938 1.00 31.30 H new ATOM 0 HD21 ASN A 54 21.015 13.476 -7.166 1.00 50.54 H new ATOM 0 HD22 ASN A 54 19.422 13.060 -6.526 1.00 50.54 H new ATOM 817 N ASP A 55 15.236 13.881 -10.604 1.00 25.10 N ATOM 818 CA ASP A 55 13.816 13.677 -10.752 1.00 31.20 C ATOM 819 C ASP A 55 13.465 12.971 -12.019 1.00 52.24 C ATOM 820 O ASP A 55 12.425 12.306 -12.077 1.00 4.33 O ATOM 821 CB ASP A 55 12.966 14.898 -10.479 1.00 21.14 C ATOM 822 CG ASP A 55 13.016 15.305 -9.009 1.00 52.31 C ATOM 823 OD1 ASP A 55 14.053 15.840 -8.537 1.00 31.05 O ATOM 824 OD2 ASP A 55 12.020 15.064 -8.291 1.00 42.34 O ATOM 0 H ASP A 55 15.586 14.777 -10.942 1.00 25.10 H new ATOM 0 HA ASP A 55 13.548 12.997 -9.943 1.00 31.20 H new ATOM 0 HB2 ASP A 55 13.311 15.727 -11.098 1.00 21.14 H new ATOM 0 HB3 ASP A 55 11.934 14.694 -10.765 1.00 21.14 H new ATOM 829 N CYS A 56 14.267 13.087 -13.075 1.00 65.23 N ATOM 830 CA CYS A 56 14.000 12.206 -14.164 1.00 52.35 C ATOM 831 C CYS A 56 14.441 10.852 -13.818 1.00 4.21 C ATOM 832 O CYS A 56 13.938 9.938 -14.302 1.00 10.42 O ATOM 833 CB CYS A 56 14.493 12.600 -15.541 1.00 40.03 C ATOM 834 SG CYS A 56 16.247 12.731 -15.949 1.00 12.24 S ATOM 0 H CYS A 56 15.046 13.736 -13.183 1.00 65.23 H new ATOM 0 HA CYS A 56 12.918 12.267 -14.285 1.00 52.35 H new ATOM 0 HB2 CYS A 56 14.064 11.884 -16.242 1.00 40.03 H new ATOM 0 HB3 CYS A 56 14.049 13.570 -15.764 1.00 40.03 H new ATOM 839 N ARG A 57 15.411 10.758 -12.976 1.00 30.43 N ATOM 840 CA ARG A 57 15.789 9.434 -12.442 1.00 13.32 C ATOM 841 C ARG A 57 14.607 8.721 -11.816 1.00 43.53 C ATOM 842 O ARG A 57 14.434 7.523 -12.015 1.00 34.34 O ATOM 843 CB ARG A 57 16.887 9.529 -11.430 1.00 64.31 C ATOM 844 CG ARG A 57 18.101 10.133 -11.987 1.00 3.05 C ATOM 845 CD ARG A 57 19.314 9.375 -11.495 1.00 35.32 C ATOM 846 NE ARG A 57 20.561 9.871 -12.053 1.00 14.53 N ATOM 847 CZ ARG A 57 21.766 9.439 -11.697 1.00 11.12 C ATOM 848 NH1 ARG A 57 21.896 8.439 -10.818 1.00 65.11 N ATOM 849 NH2 ARG A 57 22.837 9.985 -12.240 1.00 64.43 N ATOM 0 H ARG A 57 15.964 11.543 -12.630 1.00 30.43 H new ATOM 0 HA ARG A 57 16.144 8.859 -13.297 1.00 13.32 H new ATOM 0 HB2 ARG A 57 16.546 10.120 -10.580 1.00 64.31 H new ATOM 0 HB3 ARG A 57 17.119 8.533 -11.053 1.00 64.31 H new ATOM 0 HG2 ARG A 57 18.063 10.112 -13.076 1.00 3.05 H new ATOM 0 HG3 ARG A 57 18.168 11.180 -11.690 1.00 3.05 H new ATOM 0 HD2 ARG A 57 19.359 9.439 -10.408 1.00 35.32 H new ATOM 0 HD3 ARG A 57 19.204 8.321 -11.748 1.00 35.32 H new ATOM 0 HE ARG A 57 20.508 10.599 -12.765 1.00 14.53 H new ATOM 0 HH11 ARG A 57 21.066 8.002 -10.416 1.00 65.11 H new ATOM 0 HH12 ARG A 57 22.825 8.113 -10.550 1.00 65.11 H new ATOM 0 HH21 ARG A 57 22.736 10.732 -12.927 1.00 64.43 H new ATOM 0 HH22 ARG A 57 23.766 9.660 -11.973 1.00 64.43 H new ATOM 863 N GLN A 58 13.831 9.473 -11.033 1.00 60.50 N ATOM 864 CA GLN A 58 12.603 8.967 -10.384 1.00 23.31 C ATOM 865 C GLN A 58 11.763 8.261 -11.365 1.00 40.51 C ATOM 866 O GLN A 58 11.444 7.082 -11.219 1.00 12.55 O ATOM 867 CB GLN A 58 11.788 10.104 -9.799 1.00 40.01 C ATOM 868 CG GLN A 58 12.531 10.957 -8.788 1.00 15.54 C ATOM 869 CD GLN A 58 12.969 10.184 -7.573 1.00 23.32 C ATOM 870 OE1 GLN A 58 12.317 9.228 -7.154 1.00 12.12 O ATOM 871 NE2 GLN A 58 14.078 10.562 -7.020 1.00 55.52 N ATOM 0 H GLN A 58 14.030 10.452 -10.826 1.00 60.50 H new ATOM 0 HA GLN A 58 12.910 8.289 -9.588 1.00 23.31 H new ATOM 0 HB2 GLN A 58 11.444 10.744 -10.612 1.00 40.01 H new ATOM 0 HB3 GLN A 58 10.900 9.689 -9.322 1.00 40.01 H new ATOM 0 HG2 GLN A 58 13.406 11.397 -9.266 1.00 15.54 H new ATOM 0 HG3 GLN A 58 11.890 11.781 -8.475 1.00 15.54 H new ATOM 0 HE21 GLN A 58 14.590 11.360 -7.397 1.00 55.52 H new ATOM 0 HE22 GLN A 58 14.439 10.062 -6.208 1.00 55.52 H new ATOM 880 N THR A 59 11.340 9.029 -12.257 1.00 32.40 N ATOM 881 CA THR A 59 10.728 8.711 -13.416 1.00 15.51 C ATOM 882 C THR A 59 11.466 7.527 -14.101 1.00 3.14 C ATOM 883 O THR A 59 11.105 6.351 -13.921 1.00 23.34 O ATOM 884 CB THR A 59 10.988 10.065 -14.139 1.00 34.51 C ATOM 885 OG1 THR A 59 10.311 11.150 -13.481 1.00 4.23 O ATOM 886 CG2 THR A 59 10.796 10.121 -15.593 1.00 21.44 C ATOM 0 H THR A 59 11.439 10.039 -12.158 1.00 32.40 H new ATOM 0 HA THR A 59 9.689 8.385 -13.373 1.00 15.51 H new ATOM 0 HB THR A 59 12.068 10.173 -14.042 1.00 34.51 H new ATOM 0 HG1 THR A 59 10.963 11.691 -12.988 1.00 4.23 H new ATOM 0 HG21 THR A 59 11.015 11.127 -15.950 1.00 21.44 H new ATOM 0 HG22 THR A 59 11.467 9.410 -16.076 1.00 21.44 H new ATOM 0 HG23 THR A 59 9.764 9.867 -15.834 1.00 21.44 H new ATOM 894 N CYS A 60 12.505 7.859 -14.737 1.00 74.21 N ATOM 895 CA CYS A 60 13.153 7.034 -15.742 1.00 72.21 C ATOM 896 C CYS A 60 14.276 7.813 -16.357 1.00 63.23 C ATOM 897 O CYS A 60 14.019 8.842 -16.997 1.00 73.15 O ATOM 898 CB CYS A 60 12.219 6.734 -16.966 1.00 14.11 C ATOM 899 SG CYS A 60 10.569 5.983 -16.726 1.00 52.41 S ATOM 0 H CYS A 60 12.976 8.751 -14.588 1.00 74.21 H new ATOM 0 HA CYS A 60 13.452 6.118 -15.232 1.00 72.21 H new ATOM 0 HB2 CYS A 60 12.068 7.677 -17.492 1.00 14.11 H new ATOM 0 HB3 CYS A 60 12.773 6.080 -17.639 1.00 14.11 H new ATOM 904 N GLN A 61 15.498 7.429 -16.156 1.00 63.51 N ATOM 905 CA GLN A 61 16.484 7.897 -17.051 1.00 33.43 C ATOM 906 C GLN A 61 16.951 6.753 -17.875 1.00 65.13 C ATOM 907 O GLN A 61 16.824 6.711 -19.066 1.00 62.03 O ATOM 908 CB GLN A 61 17.670 8.503 -16.383 1.00 53.22 C ATOM 909 CG GLN A 61 17.425 9.747 -15.613 1.00 2.53 C ATOM 910 CD GLN A 61 18.765 10.318 -15.148 1.00 22.14 C ATOM 911 OE1 GLN A 61 19.707 9.579 -14.898 1.00 5.32 O ATOM 912 NE2 GLN A 61 18.878 11.608 -15.056 1.00 44.43 N ATOM 0 H GLN A 61 15.820 6.816 -15.407 1.00 63.51 H new ATOM 0 HA GLN A 61 16.019 8.682 -17.647 1.00 33.43 H new ATOM 0 HB2 GLN A 61 18.099 7.762 -15.709 1.00 53.22 H new ATOM 0 HB3 GLN A 61 18.421 8.714 -17.144 1.00 53.22 H new ATOM 0 HG2 GLN A 61 16.900 10.475 -16.231 1.00 2.53 H new ATOM 0 HG3 GLN A 61 16.787 9.539 -14.755 1.00 2.53 H new ATOM 0 HE21 GLN A 61 18.080 12.206 -15.269 1.00 44.43 H new ATOM 0 HE22 GLN A 61 19.765 12.023 -14.771 1.00 44.43 H new ATOM 921 N TYR A 62 17.553 5.837 -17.164 1.00 24.15 N ATOM 922 CA TYR A 62 18.145 4.679 -17.733 1.00 65.12 C ATOM 923 C TYR A 62 17.540 3.424 -17.162 1.00 3.32 C ATOM 924 O TYR A 62 17.534 3.256 -15.935 1.00 34.24 O ATOM 925 CB TYR A 62 19.643 4.666 -17.439 1.00 51.42 C ATOM 926 CG TYR A 62 20.447 5.841 -17.955 1.00 52.42 C ATOM 927 CD1 TYR A 62 20.921 5.875 -19.258 1.00 13.25 C ATOM 928 CD2 TYR A 62 20.761 6.902 -17.117 1.00 43.40 C ATOM 929 CE1 TYR A 62 21.685 6.935 -19.710 1.00 51.40 C ATOM 930 CE2 TYR A 62 21.516 7.967 -17.561 1.00 45.53 C ATOM 931 CZ TYR A 62 21.979 7.979 -18.855 1.00 53.03 C ATOM 932 OH TYR A 62 22.744 9.039 -19.298 1.00 74.31 O ATOM 0 H TYR A 62 17.642 5.887 -16.149 1.00 24.15 H new ATOM 0 HA TYR A 62 17.966 4.708 -18.808 1.00 65.12 H new ATOM 0 HB2 TYR A 62 19.777 4.610 -16.359 1.00 51.42 H new ATOM 0 HB3 TYR A 62 20.065 3.754 -17.861 1.00 51.42 H new ATOM 0 HD1 TYR A 62 20.690 5.061 -19.930 1.00 13.25 H new ATOM 0 HD2 TYR A 62 20.407 6.893 -16.097 1.00 43.40 H new ATOM 0 HE1 TYR A 62 22.050 6.947 -20.726 1.00 51.40 H new ATOM 0 HE2 TYR A 62 21.742 8.787 -16.896 1.00 45.53 H new ATOM 0 HH TYR A 62 22.856 9.688 -18.572 1.00 74.31 H new ATOM 942 N PRO A 63 16.978 2.566 -17.972 1.00 43.01 N ATOM 943 CA PRO A 63 16.666 1.230 -17.549 1.00 42.42 C ATOM 944 C PRO A 63 17.942 0.385 -17.663 1.00 31.15 C ATOM 945 O PRO A 63 18.834 0.686 -18.489 1.00 14.43 O ATOM 946 CB PRO A 63 15.614 0.744 -18.563 1.00 42.20 C ATOM 947 CG PRO A 63 15.367 1.898 -19.481 1.00 1.00 C ATOM 948 CD PRO A 63 16.534 2.823 -19.333 1.00 54.25 C ATOM 0 HA PRO A 63 16.301 1.166 -16.524 1.00 42.42 H new ATOM 0 HB2 PRO A 63 15.975 -0.124 -19.115 1.00 42.20 H new ATOM 0 HB3 PRO A 63 14.696 0.442 -18.059 1.00 42.20 H new ATOM 0 HG2 PRO A 63 15.271 1.558 -20.512 1.00 1.00 H new ATOM 0 HG3 PRO A 63 14.437 2.405 -19.224 1.00 1.00 H new ATOM 0 HD2 PRO A 63 17.316 2.607 -20.061 1.00 54.25 H new ATOM 0 HD3 PRO A 63 16.245 3.864 -19.474 1.00 54.25 H new ATOM 956 N VAL A 64 18.065 -0.621 -16.855 1.00 64.42 N ATOM 957 CA VAL A 64 19.224 -1.471 -16.950 1.00 64.52 C ATOM 958 C VAL A 64 18.812 -2.824 -17.467 1.00 60.14 C ATOM 959 O VAL A 64 17.755 -3.364 -17.082 1.00 52.34 O ATOM 960 CB VAL A 64 20.042 -1.591 -15.620 1.00 31.50 C ATOM 961 CG1 VAL A 64 20.611 -0.239 -15.211 1.00 32.54 C ATOM 962 CG2 VAL A 64 19.213 -2.181 -14.486 1.00 31.41 C ATOM 0 H VAL A 64 17.393 -0.876 -16.131 1.00 64.42 H new ATOM 0 HA VAL A 64 19.908 -0.997 -17.654 1.00 64.52 H new ATOM 0 HB VAL A 64 20.866 -2.278 -15.815 1.00 31.50 H new ATOM 0 HG11 VAL A 64 21.175 -0.347 -14.285 1.00 32.54 H new ATOM 0 HG12 VAL A 64 21.270 0.131 -15.996 1.00 32.54 H new ATOM 0 HG13 VAL A 64 19.795 0.468 -15.059 1.00 32.54 H new ATOM 0 HG21 VAL A 64 19.823 -2.245 -13.585 1.00 31.41 H new ATOM 0 HG22 VAL A 64 18.350 -1.543 -14.296 1.00 31.41 H new ATOM 0 HG23 VAL A 64 18.872 -3.178 -14.765 1.00 31.41 H new ATOM 972 N GLY A 65 19.583 -3.330 -18.370 1.00 52.22 N ATOM 973 CA GLY A 65 19.303 -4.588 -18.966 1.00 15.42 C ATOM 974 C GLY A 65 20.203 -4.802 -20.132 1.00 30.41 C ATOM 975 O GLY A 65 19.863 -4.355 -21.235 1.00 63.25 O ATOM 976 OXT GLY A 65 21.273 -5.412 -19.967 1.00 0.00 O ATOM 0 H GLY A 65 20.429 -2.878 -18.716 1.00 52.22 H new ATOM 0 HA2 GLY A 65 19.441 -5.386 -18.236 1.00 15.42 H new ATOM 0 HA3 GLY A 65 18.262 -4.626 -19.286 1.00 15.42 H new TER 980 GLY A 65