USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 644 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 56 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -125:sc= 0.999 USER MOD Single : A 21 LYS NZ :NH3+ -140:sc= 1.27 (180deg=-0.475) USER MOD Single : A 23 SER OG : rot 93:sc= 0.454 USER MOD Single : A 26 SER OG : rot 170:sc= 0.00493 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 0.165 (180deg=-0.263) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00175 USER MOD Single : A 43 ASN : amide:sc= -0.0102 K(o=-0.01,f=-3.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 96:sc= -1.61! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -153:sc= 0.526 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 42:sc= -0.0762 USER MOD Single : A 92 LYS NZ :NH3+ -150:sc= 1.13 (180deg=0.718) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 16 -8.382 -1.783 3.734 1.00 2.98 N ATOM 2 CA PRO A 16 -8.929 -0.600 4.411 1.00 2.98 C ATOM 3 C PRO A 16 -7.853 0.414 4.807 1.00 3.07 C ATOM 4 O PRO A 16 -6.847 0.057 5.468 1.00 3.73 O ATOM 5 CB PRO A 16 -9.594 -1.190 5.660 1.00 3.37 C ATOM 6 CG PRO A 16 -10.004 -2.554 5.238 1.00 3.63 C ATOM 7 CD PRO A 16 -8.900 -3.036 4.338 1.00 3.28 C ATOM 0 HA PRO A 16 -9.607 -0.043 3.764 1.00 2.98 H new ATOM 0 HB2 PRO A 16 -8.903 -1.224 6.502 1.00 3.37 H new ATOM 0 HB3 PRO A 16 -10.451 -0.595 5.975 1.00 3.37 H new ATOM 0 HG2 PRO A 16 -10.127 -3.212 6.098 1.00 3.63 H new ATOM 0 HG3 PRO A 16 -10.959 -2.534 4.713 1.00 3.63 H new ATOM 0 HD2 PRO A 16 -8.127 -3.563 4.897 1.00 3.28 H new ATOM 0 HD3 PRO A 16 -9.271 -3.725 3.579 1.00 3.28 H new ATOM 15 N TYR A 17 -8.076 1.653 4.378 1.00 2.86 N ATOM 16 CA TYR A 17 -7.200 2.800 4.618 1.00 3.15 C ATOM 17 C TYR A 17 -6.621 2.861 6.044 1.00 2.43 C ATOM 18 O TYR A 17 -7.286 2.516 7.042 1.00 2.82 O ATOM 19 CB TYR A 17 -7.949 4.115 4.304 1.00 4.19 C ATOM 20 CG TYR A 17 -9.181 4.369 5.167 1.00 5.00 C ATOM 21 CD1 TYR A 17 -10.422 3.845 4.816 1.00 5.51 C ATOM 22 CD2 TYR A 17 -9.102 5.147 6.316 1.00 5.52 C ATOM 23 CE1 TYR A 17 -11.542 4.075 5.586 1.00 6.49 C ATOM 24 CE2 TYR A 17 -10.220 5.379 7.091 1.00 6.48 C ATOM 25 CZ TYR A 17 -11.412 4.816 6.763 1.00 6.96 C ATOM 26 OH TYR A 17 -12.557 5.087 7.489 1.00 8.04 O ATOM 0 H TYR A 17 -8.903 1.897 3.833 1.00 2.86 H new ATOM 0 HA TYR A 17 -6.350 2.672 3.947 1.00 3.15 H new ATOM 0 HB2 TYR A 17 -7.258 4.949 4.427 1.00 4.19 H new ATOM 0 HB3 TYR A 17 -8.252 4.104 3.257 1.00 4.19 H new ATOM 0 HD1 TYR A 17 -10.509 3.246 3.922 1.00 5.51 H new ATOM 0 HD2 TYR A 17 -8.154 5.575 6.606 1.00 5.52 H new ATOM 0 HE1 TYR A 17 -12.504 3.689 5.284 1.00 6.49 H new ATOM 0 HE2 TYR A 17 -10.147 6.012 7.963 1.00 6.48 H new ATOM 0 HH TYR A 17 -12.324 5.609 8.285 1.00 8.04 H new ATOM 36 N ILE A 18 -5.388 3.316 6.108 1.00 1.98 N ATOM 37 CA ILE A 18 -4.634 3.497 7.342 1.00 1.60 C ATOM 38 C ILE A 18 -3.285 4.125 6.992 1.00 1.32 C ATOM 39 O ILE A 18 -2.771 4.985 7.695 1.00 1.96 O ATOM 40 CB ILE A 18 -4.422 2.163 8.126 1.00 2.09 C ATOM 41 CG1 ILE A 18 -3.711 2.449 9.450 1.00 2.89 C ATOM 42 CG2 ILE A 18 -3.631 1.158 7.296 1.00 2.23 C ATOM 43 CD1 ILE A 18 -3.578 1.246 10.328 1.00 3.81 C ATOM 0 H ILE A 18 -4.860 3.581 5.277 1.00 1.98 H new ATOM 0 HA ILE A 18 -5.209 4.148 8.000 1.00 1.60 H new ATOM 0 HB ILE A 18 -5.398 1.724 8.334 1.00 2.09 H new ATOM 0 HG12 ILE A 18 -2.718 2.848 9.241 1.00 2.89 H new ATOM 0 HG13 ILE A 18 -4.259 3.223 9.988 1.00 2.89 H new ATOM 0 HG21 ILE A 18 -3.499 0.239 7.867 1.00 2.23 H new ATOM 0 HG22 ILE A 18 -4.173 0.939 6.376 1.00 2.23 H new ATOM 0 HG23 ILE A 18 -2.655 1.577 7.051 1.00 2.23 H new ATOM 0 HD11 ILE A 18 -3.065 1.523 11.249 1.00 3.81 H new ATOM 0 HD12 ILE A 18 -4.568 0.859 10.567 1.00 3.81 H new ATOM 0 HD13 ILE A 18 -3.004 0.478 9.809 1.00 3.81 H new ATOM 55 N GLY A 19 -2.755 3.703 5.869 1.00 1.07 N ATOM 56 CA GLY A 19 -1.512 4.217 5.383 1.00 0.82 C ATOM 57 C GLY A 19 -1.592 4.448 3.896 1.00 0.70 C ATOM 58 O GLY A 19 -2.655 4.218 3.291 1.00 1.05 O ATOM 0 H GLY A 19 -3.179 2.993 5.272 1.00 1.07 H new ATOM 0 HA2 GLY A 19 -1.272 5.151 5.891 1.00 0.82 H new ATOM 0 HA3 GLY A 19 -0.708 3.516 5.607 1.00 0.82 H new ATOM 62 N SER A 20 -0.511 4.864 3.302 1.00 0.60 N ATOM 63 CA SER A 20 -0.484 5.120 1.881 1.00 0.70 C ATOM 64 C SER A 20 -0.109 3.840 1.130 1.00 0.53 C ATOM 65 O SER A 20 0.748 3.077 1.589 1.00 0.89 O ATOM 66 CB SER A 20 0.520 6.240 1.567 1.00 1.22 C ATOM 67 OG SER A 20 0.168 7.456 2.221 1.00 1.81 O ATOM 0 H SER A 20 0.373 5.036 3.780 1.00 0.60 H new ATOM 0 HA SER A 20 -1.474 5.440 1.556 1.00 0.70 H new ATOM 0 HB2 SER A 20 1.518 5.933 1.880 1.00 1.22 H new ATOM 0 HB3 SER A 20 0.559 6.403 0.490 1.00 1.22 H new ATOM 0 HG SER A 20 0.102 8.176 1.559 1.00 1.81 H new ATOM 73 N LYS A 21 -0.755 3.573 0.000 1.00 0.67 N ATOM 74 CA LYS A 21 -0.419 2.376 -0.757 1.00 0.88 C ATOM 75 C LYS A 21 0.722 2.623 -1.743 1.00 0.70 C ATOM 76 O LYS A 21 0.546 3.310 -2.747 1.00 1.07 O ATOM 77 CB LYS A 21 -1.631 1.671 -1.447 1.00 1.67 C ATOM 78 CG LYS A 21 -2.561 0.837 -0.516 1.00 2.31 C ATOM 79 CD LYS A 21 -3.676 1.616 0.201 1.00 3.10 C ATOM 80 CE LYS A 21 -4.741 2.113 -0.768 1.00 3.78 C ATOM 81 NZ LYS A 21 -5.947 2.609 -0.058 1.00 4.35 N ATOM 0 H LYS A 21 -1.493 4.151 -0.402 1.00 0.67 H new ATOM 0 HA LYS A 21 -0.074 1.668 -0.004 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -2.234 2.432 -1.942 1.00 1.67 H new ATOM 0 HB3 LYS A 21 -1.247 1.013 -2.226 1.00 1.67 H new ATOM 0 HG2 LYS A 21 -3.022 0.047 -1.110 1.00 2.31 H new ATOM 0 HG3 LYS A 21 -1.943 0.350 0.238 1.00 2.31 H new ATOM 0 HD2 LYS A 21 -4.140 0.976 0.952 1.00 3.10 H new ATOM 0 HD3 LYS A 21 -3.243 2.465 0.729 1.00 3.10 H new ATOM 0 HE2 LYS A 21 -4.328 2.912 -1.383 1.00 3.78 H new ATOM 0 HE3 LYS A 21 -5.024 1.305 -1.443 1.00 3.78 H new ATOM 0 HZ1 LYS A 21 -6.800 2.310 -0.572 1.00 4.35 H new ATOM 0 HZ2 LYS A 21 -5.968 2.217 0.905 1.00 4.35 H new ATOM 0 HZ3 LYS A 21 -5.918 3.647 -0.009 1.00 4.35 H new ATOM 95 N ILE A 22 1.894 2.096 -1.419 1.00 0.48 N ATOM 96 CA ILE A 22 3.063 2.201 -2.255 1.00 0.59 C ATOM 97 C ILE A 22 3.450 0.846 -2.796 1.00 0.43 C ATOM 98 O ILE A 22 3.282 -0.180 -2.120 1.00 0.51 O ATOM 99 CB ILE A 22 4.299 2.882 -1.530 1.00 1.12 C ATOM 100 CG1 ILE A 22 4.279 4.399 -1.623 1.00 1.51 C ATOM 101 CG2 ILE A 22 5.639 2.345 -1.968 1.00 1.77 C ATOM 102 CD1 ILE A 22 3.127 5.068 -0.912 1.00 2.41 C ATOM 0 H ILE A 22 2.053 1.578 -0.555 1.00 0.48 H new ATOM 0 HA ILE A 22 2.790 2.859 -3.080 1.00 0.59 H new ATOM 0 HB ILE A 22 4.175 2.606 -0.483 1.00 1.12 H new ATOM 0 HG12 ILE A 22 5.212 4.785 -1.213 1.00 1.51 H new ATOM 0 HG13 ILE A 22 4.251 4.683 -2.675 1.00 1.51 H new ATOM 0 HG21 ILE A 22 6.432 2.861 -1.427 1.00 1.77 H new ATOM 0 HG22 ILE A 22 5.690 1.277 -1.756 1.00 1.77 H new ATOM 0 HG23 ILE A 22 5.764 2.508 -3.038 1.00 1.77 H new ATOM 0 HD11 ILE A 22 3.201 6.148 -1.036 1.00 2.41 H new ATOM 0 HD12 ILE A 22 2.186 4.718 -1.335 1.00 2.41 H new ATOM 0 HD13 ILE A 22 3.162 4.822 0.149 1.00 2.41 H new ATOM 114 N SER A 23 3.964 0.860 -3.992 1.00 0.44 N ATOM 115 CA SER A 23 4.398 -0.322 -4.661 1.00 0.38 C ATOM 116 C SER A 23 5.938 -0.284 -4.669 1.00 0.34 C ATOM 117 O SER A 23 6.534 0.595 -5.305 1.00 0.52 O ATOM 118 CB SER A 23 3.831 -0.299 -6.085 1.00 0.53 C ATOM 119 OG SER A 23 3.886 -1.573 -6.698 1.00 1.33 O ATOM 0 H SER A 23 4.094 1.713 -4.536 1.00 0.44 H new ATOM 0 HA SER A 23 4.056 -1.235 -4.173 1.00 0.38 H new ATOM 0 HB2 SER A 23 2.797 0.046 -6.058 1.00 0.53 H new ATOM 0 HB3 SER A 23 4.391 0.417 -6.687 1.00 0.53 H new ATOM 0 HG SER A 23 3.039 -2.043 -6.552 1.00 1.33 H new ATOM 125 N LEU A 24 6.570 -1.179 -3.935 1.00 0.34 N ATOM 126 CA LEU A 24 8.010 -1.175 -3.788 1.00 0.37 C ATOM 127 C LEU A 24 8.614 -2.498 -4.259 1.00 0.35 C ATOM 128 O LEU A 24 8.169 -3.558 -3.860 1.00 0.50 O ATOM 129 CB LEU A 24 8.357 -0.953 -2.297 1.00 0.56 C ATOM 130 CG LEU A 24 9.830 -0.966 -1.931 1.00 0.77 C ATOM 131 CD1 LEU A 24 10.571 0.110 -2.677 1.00 1.20 C ATOM 132 CD2 LEU A 24 10.000 -0.799 -0.441 1.00 1.45 C ATOM 0 H LEU A 24 6.100 -1.927 -3.425 1.00 0.34 H new ATOM 0 HA LEU A 24 8.425 -0.374 -4.400 1.00 0.37 H new ATOM 0 HB2 LEU A 24 7.938 0.005 -1.989 1.00 0.56 H new ATOM 0 HB3 LEU A 24 7.854 -1.723 -1.712 1.00 0.56 H new ATOM 0 HG LEU A 24 10.251 -1.929 -2.220 1.00 0.77 H new ATOM 0 HD11 LEU A 24 11.625 0.084 -2.401 1.00 1.20 H new ATOM 0 HD12 LEU A 24 10.473 -0.057 -3.750 1.00 1.20 H new ATOM 0 HD13 LEU A 24 10.153 1.084 -2.422 1.00 1.20 H new ATOM 0 HD21 LEU A 24 11.061 -0.810 -0.192 1.00 1.45 H new ATOM 0 HD22 LEU A 24 9.564 0.150 -0.129 1.00 1.45 H new ATOM 0 HD23 LEU A 24 9.498 -1.616 0.076 1.00 1.45 H new ATOM 144 N ILE A 25 9.611 -2.441 -5.100 1.00 0.29 N ATOM 145 CA ILE A 25 10.285 -3.654 -5.539 1.00 0.28 C ATOM 146 C ILE A 25 11.633 -3.760 -4.862 1.00 0.25 C ATOM 147 O ILE A 25 12.495 -2.884 -5.020 1.00 0.29 O ATOM 148 CB ILE A 25 10.485 -3.746 -7.072 1.00 0.32 C ATOM 149 CG1 ILE A 25 9.119 -3.695 -7.798 1.00 0.39 C ATOM 150 CG2 ILE A 25 11.248 -5.037 -7.431 1.00 0.34 C ATOM 151 CD1 ILE A 25 9.219 -3.784 -9.313 1.00 0.72 C ATOM 0 H ILE A 25 9.980 -1.578 -5.499 1.00 0.29 H new ATOM 0 HA ILE A 25 9.631 -4.479 -5.257 1.00 0.28 H new ATOM 0 HB ILE A 25 11.077 -2.893 -7.402 1.00 0.32 H new ATOM 0 HG12 ILE A 25 8.497 -4.514 -7.437 1.00 0.39 H new ATOM 0 HG13 ILE A 25 8.612 -2.768 -7.532 1.00 0.39 H new ATOM 0 HG21 ILE A 25 11.383 -5.091 -8.511 1.00 0.34 H new ATOM 0 HG22 ILE A 25 12.223 -5.031 -6.943 1.00 0.34 H new ATOM 0 HG23 ILE A 25 10.678 -5.902 -7.093 1.00 0.34 H new ATOM 0 HD11 ILE A 25 8.220 -3.741 -9.747 1.00 0.72 H new ATOM 0 HD12 ILE A 25 9.813 -2.951 -9.688 1.00 0.72 H new ATOM 0 HD13 ILE A 25 9.696 -4.724 -9.592 1.00 0.72 H new ATOM 163 N SER A 26 11.798 -4.803 -4.105 1.00 0.27 N ATOM 164 CA SER A 26 13.021 -5.082 -3.424 1.00 0.31 C ATOM 165 C SER A 26 14.041 -5.681 -4.390 1.00 0.29 C ATOM 166 O SER A 26 13.686 -6.171 -5.468 1.00 0.28 O ATOM 167 CB SER A 26 12.741 -6.048 -2.276 1.00 0.45 C ATOM 168 OG SER A 26 12.127 -7.238 -2.753 1.00 1.34 O ATOM 0 H SER A 26 11.069 -5.497 -3.942 1.00 0.27 H new ATOM 0 HA SER A 26 13.436 -4.157 -3.025 1.00 0.31 H new ATOM 0 HB2 SER A 26 13.673 -6.294 -1.767 1.00 0.45 H new ATOM 0 HB3 SER A 26 12.093 -5.569 -1.542 1.00 0.45 H new ATOM 0 HG SER A 26 12.103 -7.904 -2.035 1.00 1.34 H new ATOM 174 N LYS A 27 15.294 -5.654 -3.983 1.00 0.35 N ATOM 175 CA LYS A 27 16.436 -6.198 -4.743 1.00 0.41 C ATOM 176 C LYS A 27 16.310 -7.671 -5.187 1.00 0.45 C ATOM 177 O LYS A 27 17.121 -8.140 -5.955 1.00 0.60 O ATOM 178 CB LYS A 27 17.767 -5.968 -3.979 1.00 0.53 C ATOM 179 CG LYS A 27 17.707 -6.279 -2.465 1.00 0.83 C ATOM 180 CD LYS A 27 17.350 -7.720 -2.141 1.00 0.74 C ATOM 181 CE LYS A 27 17.163 -7.909 -0.635 1.00 1.33 C ATOM 182 NZ LYS A 27 18.319 -7.391 0.150 1.00 2.12 N ATOM 0 H LYS A 27 15.569 -5.244 -3.090 1.00 0.35 H new ATOM 0 HA LYS A 27 16.433 -5.632 -5.674 1.00 0.41 H new ATOM 0 HB2 LYS A 27 18.542 -6.587 -4.432 1.00 0.53 H new ATOM 0 HB3 LYS A 27 18.071 -4.929 -4.111 1.00 0.53 H new ATOM 0 HG2 LYS A 27 18.674 -6.046 -2.019 1.00 0.83 H new ATOM 0 HG3 LYS A 27 16.974 -5.621 -1.999 1.00 0.83 H new ATOM 0 HD2 LYS A 27 16.435 -7.999 -2.663 1.00 0.74 H new ATOM 0 HD3 LYS A 27 18.137 -8.384 -2.500 1.00 0.74 H new ATOM 0 HE2 LYS A 27 16.254 -7.399 -0.318 1.00 1.33 H new ATOM 0 HE3 LYS A 27 17.026 -8.968 -0.419 1.00 1.33 H new ATOM 0 HZ1 LYS A 27 18.452 -7.976 0.999 1.00 2.12 H new ATOM 0 HZ2 LYS A 27 19.179 -7.427 -0.434 1.00 2.12 H new ATOM 0 HZ3 LYS A 27 18.134 -6.408 0.433 1.00 2.12 H new ATOM 196 N ALA A 28 15.307 -8.374 -4.687 1.00 0.44 N ATOM 197 CA ALA A 28 15.083 -9.765 -5.044 1.00 0.52 C ATOM 198 C ALA A 28 14.145 -9.839 -6.247 1.00 0.41 C ATOM 199 O ALA A 28 13.619 -10.899 -6.578 1.00 0.48 O ATOM 200 CB ALA A 28 14.493 -10.507 -3.852 1.00 0.70 C ATOM 0 H ALA A 28 14.628 -7.998 -4.025 1.00 0.44 H new ATOM 0 HA ALA A 28 16.029 -10.235 -5.313 1.00 0.52 H new ATOM 0 HB1 ALA A 28 14.325 -11.550 -4.120 1.00 0.70 H new ATOM 0 HB2 ALA A 28 15.186 -10.455 -3.012 1.00 0.70 H new ATOM 0 HB3 ALA A 28 13.546 -10.048 -3.570 1.00 0.70 H new ATOM 206 N GLU A 29 13.964 -8.665 -6.891 1.00 0.34 N ATOM 207 CA GLU A 29 13.080 -8.459 -8.052 1.00 0.38 C ATOM 208 C GLU A 29 11.624 -8.723 -7.657 1.00 0.40 C ATOM 209 O GLU A 29 10.774 -9.060 -8.507 1.00 0.55 O ATOM 210 CB GLU A 29 13.485 -9.330 -9.266 1.00 0.58 C ATOM 211 CG GLU A 29 14.898 -9.071 -9.825 1.00 1.38 C ATOM 212 CD GLU A 29 15.189 -9.881 -11.098 1.00 1.79 C ATOM 213 OE1 GLU A 29 15.528 -11.089 -10.991 1.00 2.01 O ATOM 214 OE2 GLU A 29 15.065 -9.316 -12.221 1.00 2.59 O ATOM 0 H GLU A 29 14.445 -7.812 -6.606 1.00 0.34 H new ATOM 0 HA GLU A 29 13.186 -7.420 -8.363 1.00 0.38 H new ATOM 0 HB2 GLU A 29 13.413 -10.379 -8.979 1.00 0.58 H new ATOM 0 HB3 GLU A 29 12.762 -9.168 -10.065 1.00 0.58 H new ATOM 0 HG2 GLU A 29 15.010 -8.009 -10.042 1.00 1.38 H new ATOM 0 HG3 GLU A 29 15.637 -9.320 -9.064 1.00 1.38 H new ATOM 221 N ILE A 30 11.323 -8.500 -6.382 1.00 0.39 N ATOM 222 CA ILE A 30 10.001 -8.800 -5.858 1.00 0.52 C ATOM 223 C ILE A 30 9.232 -7.532 -5.518 1.00 0.55 C ATOM 224 O ILE A 30 9.735 -6.663 -4.795 1.00 0.59 O ATOM 225 CB ILE A 30 10.058 -9.704 -4.599 1.00 0.63 C ATOM 226 CG1 ILE A 30 10.796 -11.017 -4.894 1.00 0.70 C ATOM 227 CG2 ILE A 30 8.642 -10.000 -4.114 1.00 0.80 C ATOM 228 CD1 ILE A 30 10.917 -11.947 -3.693 1.00 1.17 C ATOM 0 H ILE A 30 11.974 -8.115 -5.698 1.00 0.39 H new ATOM 0 HA ILE A 30 9.482 -9.338 -6.652 1.00 0.52 H new ATOM 0 HB ILE A 30 10.607 -9.174 -3.820 1.00 0.63 H new ATOM 0 HG12 ILE A 30 10.275 -11.542 -5.695 1.00 0.70 H new ATOM 0 HG13 ILE A 30 11.795 -10.785 -5.262 1.00 0.70 H new ATOM 0 HG21 ILE A 30 8.686 -10.635 -3.229 1.00 0.80 H new ATOM 0 HG22 ILE A 30 8.140 -9.065 -3.865 1.00 0.80 H new ATOM 0 HG23 ILE A 30 8.087 -10.511 -4.901 1.00 0.80 H new ATOM 0 HD11 ILE A 30 11.451 -12.851 -3.985 1.00 1.17 H new ATOM 0 HD12 ILE A 30 11.465 -11.444 -2.897 1.00 1.17 H new ATOM 0 HD13 ILE A 30 9.922 -12.212 -3.337 1.00 1.17 H new ATOM 240 N ARG A 31 8.013 -7.443 -6.022 1.00 0.64 N ATOM 241 CA ARG A 31 7.144 -6.309 -5.749 1.00 0.75 C ATOM 242 C ARG A 31 6.331 -6.506 -4.459 1.00 0.55 C ATOM 243 O ARG A 31 5.568 -7.462 -4.331 1.00 0.76 O ATOM 244 CB ARG A 31 6.201 -6.006 -6.942 1.00 1.35 C ATOM 245 CG ARG A 31 5.351 -7.190 -7.429 1.00 2.13 C ATOM 246 CD ARG A 31 4.384 -6.747 -8.534 1.00 2.61 C ATOM 247 NE ARG A 31 3.344 -5.824 -8.017 1.00 3.25 N ATOM 248 CZ ARG A 31 3.227 -4.510 -8.302 1.00 3.86 C ATOM 249 NH1 ARG A 31 4.138 -3.887 -9.068 1.00 3.95 N ATOM 250 NH2 ARG A 31 2.206 -3.832 -7.811 1.00 4.71 N ATOM 0 H ARG A 31 7.599 -8.150 -6.629 1.00 0.64 H new ATOM 0 HA ARG A 31 7.796 -5.448 -5.606 1.00 0.75 H new ATOM 0 HB2 ARG A 31 5.532 -5.194 -6.657 1.00 1.35 H new ATOM 0 HB3 ARG A 31 6.803 -5.646 -7.776 1.00 1.35 H new ATOM 0 HG2 ARG A 31 6.001 -7.981 -7.804 1.00 2.13 H new ATOM 0 HG3 ARG A 31 4.789 -7.608 -6.594 1.00 2.13 H new ATOM 0 HD2 ARG A 31 4.943 -6.256 -9.331 1.00 2.61 H new ATOM 0 HD3 ARG A 31 3.907 -7.623 -8.973 1.00 2.61 H new ATOM 0 HE ARG A 31 2.650 -6.221 -7.384 1.00 3.25 H new ATOM 0 HH11 ARG A 31 4.931 -4.408 -9.443 1.00 3.95 H new ATOM 0 HH12 ARG A 31 4.037 -2.893 -9.275 1.00 3.95 H new ATOM 0 HH21 ARG A 31 1.517 -4.302 -7.224 1.00 4.71 H new ATOM 0 HH22 ARG A 31 2.106 -2.838 -8.019 1.00 4.71 H new ATOM 264 N TYR A 32 6.537 -5.625 -3.518 1.00 0.47 N ATOM 265 CA TYR A 32 5.769 -5.576 -2.291 1.00 0.59 C ATOM 266 C TYR A 32 4.964 -4.307 -2.290 1.00 0.56 C ATOM 267 O TYR A 32 5.509 -3.220 -2.454 1.00 0.69 O ATOM 268 CB TYR A 32 6.662 -5.609 -1.056 1.00 0.84 C ATOM 269 CG TYR A 32 7.353 -6.939 -0.821 1.00 1.16 C ATOM 270 CD1 TYR A 32 6.749 -7.956 -0.093 1.00 1.70 C ATOM 271 CD2 TYR A 32 8.610 -7.175 -1.352 1.00 1.32 C ATOM 272 CE1 TYR A 32 7.394 -9.161 0.107 1.00 2.32 C ATOM 273 CE2 TYR A 32 9.256 -8.369 -1.157 1.00 1.86 C ATOM 274 CZ TYR A 32 8.587 -9.378 -0.345 1.00 2.34 C ATOM 275 OH TYR A 32 9.301 -10.562 -0.237 1.00 3.01 O ATOM 0 H TYR A 32 7.256 -4.904 -3.578 1.00 0.47 H new ATOM 0 HA TYR A 32 5.124 -6.453 -2.251 1.00 0.59 H new ATOM 0 HB2 TYR A 32 7.419 -4.831 -1.149 1.00 0.84 H new ATOM 0 HB3 TYR A 32 6.060 -5.366 -0.180 1.00 0.84 H new ATOM 0 HD1 TYR A 32 5.764 -7.803 0.322 1.00 1.70 H new ATOM 0 HD2 TYR A 32 9.092 -6.402 -1.932 1.00 1.32 H new ATOM 0 HE1 TYR A 32 6.889 -9.943 0.655 1.00 2.32 H new ATOM 0 HE2 TYR A 32 10.228 -8.555 -1.590 1.00 1.86 H new ATOM 0 HH TYR A 32 10.176 -10.456 -0.665 1.00 3.01 H new ATOM 285 N GLU A 33 3.702 -4.436 -2.112 1.00 0.53 N ATOM 286 CA GLU A 33 2.817 -3.320 -2.189 1.00 0.52 C ATOM 287 C GLU A 33 1.876 -3.413 -1.020 1.00 0.42 C ATOM 288 O GLU A 33 1.354 -4.487 -0.732 1.00 0.51 O ATOM 289 CB GLU A 33 2.099 -3.423 -3.521 1.00 0.74 C ATOM 290 CG GLU A 33 1.161 -2.311 -3.888 1.00 1.40 C ATOM 291 CD GLU A 33 0.643 -2.553 -5.272 1.00 1.81 C ATOM 292 OE1 GLU A 33 -0.233 -3.428 -5.431 1.00 2.45 O ATOM 293 OE2 GLU A 33 1.181 -1.948 -6.231 1.00 2.23 O ATOM 0 H GLU A 33 3.244 -5.324 -1.907 1.00 0.53 H new ATOM 0 HA GLU A 33 3.323 -2.356 -2.140 1.00 0.52 H new ATOM 0 HB2 GLU A 33 2.853 -3.500 -4.305 1.00 0.74 H new ATOM 0 HB3 GLU A 33 1.535 -4.356 -3.528 1.00 0.74 H new ATOM 0 HG2 GLU A 33 0.335 -2.265 -3.179 1.00 1.40 H new ATOM 0 HG3 GLU A 33 1.676 -1.352 -3.840 1.00 1.40 H new ATOM 300 N GLY A 34 1.712 -2.320 -0.313 1.00 0.40 N ATOM 301 CA GLY A 34 0.904 -2.326 0.882 1.00 0.43 C ATOM 302 C GLY A 34 0.865 -0.978 1.516 1.00 0.36 C ATOM 303 O GLY A 34 1.163 0.022 0.846 1.00 0.45 O ATOM 0 H GLY A 34 2.127 -1.417 -0.544 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -0.109 -2.644 0.637 1.00 0.43 H new ATOM 0 HA3 GLY A 34 1.304 -3.052 1.590 1.00 0.43 H new ATOM 307 N ILE A 35 0.549 -0.915 2.803 1.00 0.35 N ATOM 308 CA ILE A 35 0.437 0.337 3.436 1.00 0.39 C ATOM 309 C ILE A 35 1.720 0.802 4.091 1.00 0.40 C ATOM 310 O ILE A 35 2.208 0.227 5.071 1.00 0.61 O ATOM 311 CB ILE A 35 -0.819 0.546 4.356 1.00 0.49 C ATOM 312 CG1 ILE A 35 -1.041 -0.564 5.419 1.00 0.69 C ATOM 313 CG2 ILE A 35 -2.066 0.754 3.515 1.00 0.79 C ATOM 314 CD1 ILE A 35 -1.623 -1.873 4.894 1.00 0.93 C ATOM 0 H ILE A 35 0.373 -1.723 3.401 1.00 0.35 H new ATOM 0 HA ILE A 35 0.248 1.003 2.594 1.00 0.39 H new ATOM 0 HB ILE A 35 -0.610 1.447 4.933 1.00 0.49 H new ATOM 0 HG12 ILE A 35 -0.086 -0.778 5.899 1.00 0.69 H new ATOM 0 HG13 ILE A 35 -1.706 -0.175 6.191 1.00 0.69 H new ATOM 0 HG21 ILE A 35 -2.926 0.897 4.169 1.00 0.79 H new ATOM 0 HG22 ILE A 35 -1.938 1.635 2.886 1.00 0.79 H new ATOM 0 HG23 ILE A 35 -2.230 -0.121 2.885 1.00 0.79 H new ATOM 0 HD11 ILE A 35 -1.737 -2.577 5.718 1.00 0.93 H new ATOM 0 HD12 ILE A 35 -2.597 -1.683 4.442 1.00 0.93 H new ATOM 0 HD13 ILE A 35 -0.952 -2.295 4.146 1.00 0.93 H new ATOM 326 N LEU A 36 2.280 1.807 3.483 1.00 0.33 N ATOM 327 CA LEU A 36 3.461 2.498 3.971 1.00 0.40 C ATOM 328 C LEU A 36 3.133 3.234 5.253 1.00 0.41 C ATOM 329 O LEU A 36 2.116 3.953 5.328 1.00 0.44 O ATOM 330 CB LEU A 36 3.940 3.509 2.931 1.00 0.56 C ATOM 331 CG LEU A 36 5.133 4.384 3.336 1.00 0.78 C ATOM 332 CD1 LEU A 36 6.398 3.563 3.516 1.00 1.55 C ATOM 333 CD2 LEU A 36 5.337 5.508 2.343 1.00 1.72 C ATOM 0 H LEU A 36 1.924 2.188 2.606 1.00 0.33 H new ATOM 0 HA LEU A 36 4.244 1.763 4.157 1.00 0.40 H new ATOM 0 HB2 LEU A 36 4.205 2.967 2.023 1.00 0.56 H new ATOM 0 HB3 LEU A 36 3.105 4.163 2.679 1.00 0.56 H new ATOM 0 HG LEU A 36 4.904 4.829 4.304 1.00 0.78 H new ATOM 0 HD11 LEU A 36 7.220 4.219 3.803 1.00 1.55 H new ATOM 0 HD12 LEU A 36 6.240 2.818 4.295 1.00 1.55 H new ATOM 0 HD13 LEU A 36 6.643 3.062 2.579 1.00 1.55 H new ATOM 0 HD21 LEU A 36 6.188 6.115 2.651 1.00 1.72 H new ATOM 0 HD22 LEU A 36 5.528 5.090 1.355 1.00 1.72 H new ATOM 0 HD23 LEU A 36 4.442 6.129 2.308 1.00 1.72 H new ATOM 345 N TYR A 37 3.989 3.091 6.240 1.00 0.44 N ATOM 346 CA TYR A 37 3.757 3.724 7.494 1.00 0.50 C ATOM 347 C TYR A 37 4.794 4.835 7.739 1.00 0.52 C ATOM 348 O TYR A 37 4.433 6.017 7.874 1.00 0.64 O ATOM 349 CB TYR A 37 3.746 2.671 8.613 1.00 0.59 C ATOM 350 CG TYR A 37 3.352 3.204 9.966 1.00 0.68 C ATOM 351 CD1 TYR A 37 2.020 3.521 10.240 1.00 0.77 C ATOM 352 CD2 TYR A 37 4.288 3.376 10.975 1.00 0.78 C ATOM 353 CE1 TYR A 37 1.635 4.011 11.473 1.00 0.91 C ATOM 354 CE2 TYR A 37 3.909 3.862 12.221 1.00 0.91 C ATOM 355 CZ TYR A 37 2.579 4.172 12.464 1.00 0.95 C ATOM 356 OH TYR A 37 2.203 4.663 13.694 1.00 1.11 O ATOM 0 H TYR A 37 4.846 2.541 6.187 1.00 0.44 H new ATOM 0 HA TYR A 37 2.779 4.205 7.486 1.00 0.50 H new ATOM 0 HB2 TYR A 37 3.058 1.872 8.336 1.00 0.59 H new ATOM 0 HB3 TYR A 37 4.738 2.226 8.686 1.00 0.59 H new ATOM 0 HD1 TYR A 37 1.275 3.380 9.471 1.00 0.77 H new ATOM 0 HD2 TYR A 37 5.323 3.130 10.790 1.00 0.78 H new ATOM 0 HE1 TYR A 37 0.602 4.266 11.659 1.00 0.91 H new ATOM 0 HE2 TYR A 37 4.648 3.998 12.997 1.00 0.91 H new ATOM 0 HH TYR A 37 2.987 4.714 14.279 1.00 1.11 H new ATOM 366 N THR A 38 6.066 4.475 7.754 1.00 0.49 N ATOM 367 CA THR A 38 7.127 5.440 8.019 1.00 0.56 C ATOM 368 C THR A 38 8.348 5.147 7.111 1.00 0.56 C ATOM 369 O THR A 38 8.463 4.058 6.543 1.00 0.52 O ATOM 370 CB THR A 38 7.534 5.381 9.550 1.00 0.66 C ATOM 371 OG1 THR A 38 6.378 5.630 10.361 1.00 0.82 O ATOM 372 CG2 THR A 38 8.592 6.425 9.913 1.00 0.94 C ATOM 0 H THR A 38 6.392 3.523 7.586 1.00 0.49 H new ATOM 0 HA THR A 38 6.768 6.445 7.795 1.00 0.56 H new ATOM 0 HB THR A 38 7.947 4.389 9.731 1.00 0.66 H new ATOM 0 HG1 THR A 38 5.815 4.828 10.384 1.00 0.82 H new ATOM 0 HG21 THR A 38 8.836 6.343 10.972 1.00 0.94 H new ATOM 0 HG22 THR A 38 9.490 6.254 9.319 1.00 0.94 H new ATOM 0 HG23 THR A 38 8.205 7.423 9.706 1.00 0.94 H new ATOM 380 N ILE A 39 9.205 6.124 6.941 1.00 0.72 N ATOM 381 CA ILE A 39 10.435 5.981 6.200 1.00 0.79 C ATOM 382 C ILE A 39 11.539 6.571 7.069 1.00 1.01 C ATOM 383 O ILE A 39 11.438 7.731 7.495 1.00 1.31 O ATOM 384 CB ILE A 39 10.390 6.766 4.845 1.00 1.02 C ATOM 385 CG1 ILE A 39 9.238 6.259 3.953 1.00 1.15 C ATOM 386 CG2 ILE A 39 11.731 6.644 4.097 1.00 1.13 C ATOM 387 CD1 ILE A 39 9.090 7.018 2.639 1.00 1.45 C ATOM 0 H ILE A 39 9.064 7.060 7.322 1.00 0.72 H new ATOM 0 HA ILE A 39 10.602 4.929 5.967 1.00 0.79 H new ATOM 0 HB ILE A 39 10.214 7.817 5.075 1.00 1.02 H new ATOM 0 HG12 ILE A 39 9.399 5.203 3.735 1.00 1.15 H new ATOM 0 HG13 ILE A 39 8.303 6.330 4.509 1.00 1.15 H new ATOM 0 HG21 ILE A 39 11.676 7.197 3.159 1.00 1.13 H new ATOM 0 HG22 ILE A 39 12.530 7.054 4.714 1.00 1.13 H new ATOM 0 HG23 ILE A 39 11.937 5.594 3.888 1.00 1.13 H new ATOM 0 HD11 ILE A 39 8.259 6.601 2.070 1.00 1.45 H new ATOM 0 HD12 ILE A 39 8.896 8.070 2.847 1.00 1.45 H new ATOM 0 HD13 ILE A 39 10.009 6.926 2.060 1.00 1.45 H new ATOM 399 N ASP A 40 12.563 5.796 7.366 1.00 0.96 N ATOM 400 CA ASP A 40 13.648 6.315 8.163 1.00 1.24 C ATOM 401 C ASP A 40 14.604 6.968 7.213 1.00 1.25 C ATOM 402 O ASP A 40 15.456 6.310 6.610 1.00 1.13 O ATOM 403 CB ASP A 40 14.392 5.234 8.965 1.00 1.31 C ATOM 404 CG ASP A 40 13.513 4.322 9.775 1.00 2.02 C ATOM 405 OD1 ASP A 40 13.006 4.740 10.837 1.00 2.48 O ATOM 406 OD2 ASP A 40 13.333 3.157 9.353 1.00 2.56 O ATOM 0 H ASP A 40 12.664 4.824 7.073 1.00 0.96 H new ATOM 0 HA ASP A 40 13.239 7.008 8.898 1.00 1.24 H new ATOM 0 HB2 ASP A 40 14.977 4.629 8.273 1.00 1.31 H new ATOM 0 HB3 ASP A 40 15.098 5.723 9.636 1.00 1.31 H new ATOM 411 N THR A 41 14.439 8.248 7.045 1.00 1.54 N ATOM 412 CA THR A 41 15.179 9.026 6.074 1.00 1.72 C ATOM 413 C THR A 41 16.700 8.942 6.273 1.00 1.69 C ATOM 414 O THR A 41 17.461 9.078 5.316 1.00 1.85 O ATOM 415 CB THR A 41 14.723 10.487 6.132 1.00 2.15 C ATOM 416 OG1 THR A 41 14.811 10.945 7.490 1.00 2.76 O ATOM 417 CG2 THR A 41 13.290 10.625 5.662 1.00 2.54 C ATOM 0 H THR A 41 13.774 8.799 7.587 1.00 1.54 H new ATOM 0 HA THR A 41 14.967 8.602 5.092 1.00 1.72 H new ATOM 0 HB THR A 41 15.364 11.080 5.480 1.00 2.15 H new ATOM 0 HG1 THR A 41 14.523 11.880 7.539 1.00 2.76 H new ATOM 0 HG21 THR A 41 12.990 11.672 5.713 1.00 2.54 H new ATOM 0 HG22 THR A 41 13.209 10.274 4.633 1.00 2.54 H new ATOM 0 HG23 THR A 41 12.638 10.029 6.301 1.00 2.54 H new ATOM 425 N GLU A 42 17.109 8.681 7.509 1.00 1.61 N ATOM 426 CA GLU A 42 18.509 8.575 7.887 1.00 1.64 C ATOM 427 C GLU A 42 19.269 7.582 6.974 1.00 1.37 C ATOM 428 O GLU A 42 20.305 7.915 6.417 1.00 1.56 O ATOM 429 CB GLU A 42 18.597 8.171 9.364 1.00 1.77 C ATOM 430 CG GLU A 42 19.999 8.155 9.945 1.00 2.30 C ATOM 431 CD GLU A 42 19.988 7.793 11.405 1.00 2.79 C ATOM 432 OE1 GLU A 42 19.686 8.665 12.251 1.00 3.21 O ATOM 433 OE2 GLU A 42 20.319 6.636 11.738 1.00 3.22 O ATOM 0 H GLU A 42 16.466 8.535 8.287 1.00 1.61 H new ATOM 0 HA GLU A 42 18.992 9.543 7.755 1.00 1.64 H new ATOM 0 HB2 GLU A 42 17.986 8.858 9.949 1.00 1.77 H new ATOM 0 HB3 GLU A 42 18.161 7.179 9.480 1.00 1.77 H new ATOM 0 HG2 GLU A 42 20.613 7.440 9.397 1.00 2.30 H new ATOM 0 HG3 GLU A 42 20.459 9.135 9.816 1.00 2.30 H new ATOM 440 N ASN A 43 18.723 6.384 6.801 1.00 1.11 N ATOM 441 CA ASN A 43 19.338 5.363 5.910 1.00 1.14 C ATOM 442 C ASN A 43 18.457 5.121 4.726 1.00 1.21 C ATOM 443 O ASN A 43 18.718 4.246 3.919 1.00 1.44 O ATOM 444 CB ASN A 43 19.616 4.031 6.642 1.00 1.24 C ATOM 445 CG ASN A 43 20.707 4.127 7.703 1.00 1.60 C ATOM 446 OD1 ASN A 43 20.915 5.162 8.311 1.00 2.01 O ATOM 447 ND2 ASN A 43 21.415 3.047 7.931 1.00 2.26 N ATOM 0 H ASN A 43 17.861 6.081 7.255 1.00 1.11 H new ATOM 0 HA ASN A 43 20.299 5.758 5.582 1.00 1.14 H new ATOM 0 HB2 ASN A 43 18.695 3.686 7.112 1.00 1.24 H new ATOM 0 HB3 ASN A 43 19.901 3.277 5.908 1.00 1.24 H new ATOM 0 HD21 ASN A 43 22.158 3.062 8.630 1.00 2.26 H new ATOM 0 HD22 ASN A 43 21.223 2.192 7.410 1.00 2.26 H new ATOM 454 N SER A 44 17.395 5.929 4.633 1.00 1.16 N ATOM 455 CA SER A 44 16.410 5.873 3.553 1.00 1.40 C ATOM 456 C SER A 44 15.642 4.543 3.583 1.00 1.17 C ATOM 457 O SER A 44 15.031 4.149 2.595 1.00 1.36 O ATOM 458 CB SER A 44 17.098 6.098 2.200 1.00 1.82 C ATOM 459 OG SER A 44 17.788 7.349 2.189 1.00 2.28 O ATOM 0 H SER A 44 17.194 6.654 5.322 1.00 1.16 H new ATOM 0 HA SER A 44 15.682 6.671 3.698 1.00 1.40 H new ATOM 0 HB2 SER A 44 17.800 5.288 2.004 1.00 1.82 H new ATOM 0 HB3 SER A 44 16.357 6.078 1.401 1.00 1.82 H new ATOM 0 HG SER A 44 18.222 7.475 1.320 1.00 2.28 H new ATOM 465 N THR A 45 15.633 3.906 4.747 1.00 0.90 N ATOM 466 CA THR A 45 14.994 2.632 4.931 1.00 0.79 C ATOM 467 C THR A 45 13.474 2.783 4.961 1.00 0.71 C ATOM 468 O THR A 45 12.952 3.804 5.400 1.00 0.86 O ATOM 469 CB THR A 45 15.514 1.940 6.209 1.00 0.92 C ATOM 470 OG1 THR A 45 15.416 2.830 7.328 1.00 1.10 O ATOM 471 CG2 THR A 45 16.960 1.526 6.048 1.00 1.21 C ATOM 0 H THR A 45 16.076 4.271 5.590 1.00 0.90 H new ATOM 0 HA THR A 45 15.246 1.998 4.081 1.00 0.79 H new ATOM 0 HB THR A 45 14.901 1.055 6.380 1.00 0.92 H new ATOM 0 HG1 THR A 45 14.580 2.658 7.810 1.00 1.10 H new ATOM 0 HG21 THR A 45 17.303 1.041 6.962 1.00 1.21 H new ATOM 0 HG22 THR A 45 17.049 0.831 5.213 1.00 1.21 H new ATOM 0 HG23 THR A 45 17.571 2.407 5.853 1.00 1.21 H new ATOM 479 N VAL A 46 12.783 1.783 4.496 1.00 0.55 N ATOM 480 CA VAL A 46 11.344 1.865 4.371 1.00 0.53 C ATOM 481 C VAL A 46 10.667 0.981 5.405 1.00 0.46 C ATOM 482 O VAL A 46 10.981 -0.215 5.506 1.00 0.56 O ATOM 483 CB VAL A 46 10.889 1.451 2.940 1.00 0.65 C ATOM 484 CG1 VAL A 46 9.386 1.572 2.787 1.00 0.88 C ATOM 485 CG2 VAL A 46 11.592 2.305 1.890 1.00 0.70 C ATOM 0 H VAL A 46 13.187 0.896 4.195 1.00 0.55 H new ATOM 0 HA VAL A 46 11.050 2.900 4.545 1.00 0.53 H new ATOM 0 HB VAL A 46 11.164 0.407 2.791 1.00 0.65 H new ATOM 0 HG11 VAL A 46 9.098 1.276 1.778 1.00 0.88 H new ATOM 0 HG12 VAL A 46 8.893 0.922 3.510 1.00 0.88 H new ATOM 0 HG13 VAL A 46 9.084 2.605 2.963 1.00 0.88 H new ATOM 0 HG21 VAL A 46 11.263 2.003 0.896 1.00 0.70 H new ATOM 0 HG22 VAL A 46 11.346 3.355 2.050 1.00 0.70 H new ATOM 0 HG23 VAL A 46 12.670 2.169 1.972 1.00 0.70 H new ATOM 495 N ALA A 47 9.753 1.569 6.169 1.00 0.46 N ATOM 496 CA ALA A 47 9.020 0.858 7.179 1.00 0.47 C ATOM 497 C ALA A 47 7.606 0.583 6.705 1.00 0.42 C ATOM 498 O ALA A 47 6.736 1.481 6.692 1.00 0.40 O ATOM 499 CB ALA A 47 9.016 1.640 8.495 1.00 0.51 C ATOM 0 H ALA A 47 9.508 2.556 6.095 1.00 0.46 H new ATOM 0 HA ALA A 47 9.512 -0.098 7.360 1.00 0.47 H new ATOM 0 HB1 ALA A 47 8.456 1.084 9.247 1.00 0.51 H new ATOM 0 HB2 ALA A 47 10.041 1.781 8.837 1.00 0.51 H new ATOM 0 HB3 ALA A 47 8.548 2.612 8.339 1.00 0.51 H new ATOM 505 N LEU A 48 7.384 -0.629 6.280 1.00 0.49 N ATOM 506 CA LEU A 48 6.079 -1.054 5.825 1.00 0.55 C ATOM 507 C LEU A 48 5.389 -1.846 6.920 1.00 0.55 C ATOM 508 O LEU A 48 6.054 -2.472 7.737 1.00 0.66 O ATOM 509 CB LEU A 48 6.197 -1.952 4.606 1.00 0.77 C ATOM 510 CG LEU A 48 6.697 -1.364 3.292 1.00 1.04 C ATOM 511 CD1 LEU A 48 6.784 -2.483 2.280 1.00 1.75 C ATOM 512 CD2 LEU A 48 5.727 -0.309 2.784 1.00 1.48 C ATOM 0 H LEU A 48 8.099 -1.355 6.237 1.00 0.49 H new ATOM 0 HA LEU A 48 5.507 -0.162 5.571 1.00 0.55 H new ATOM 0 HB2 LEU A 48 6.860 -2.776 4.869 1.00 0.77 H new ATOM 0 HB3 LEU A 48 5.213 -2.382 4.419 1.00 0.77 H new ATOM 0 HG LEU A 48 7.672 -0.900 3.444 1.00 1.04 H new ATOM 0 HD11 LEU A 48 7.140 -2.087 1.329 1.00 1.75 H new ATOM 0 HD12 LEU A 48 7.477 -3.244 2.638 1.00 1.75 H new ATOM 0 HD13 LEU A 48 5.798 -2.926 2.142 1.00 1.75 H new ATOM 0 HD21 LEU A 48 6.096 0.103 1.845 1.00 1.48 H new ATOM 0 HD22 LEU A 48 4.749 -0.762 2.622 1.00 1.48 H new ATOM 0 HD23 LEU A 48 5.639 0.490 3.521 1.00 1.48 H new ATOM 524 N ALA A 49 4.074 -1.855 6.910 1.00 0.54 N ATOM 525 CA ALA A 49 3.314 -2.579 7.888 1.00 0.59 C ATOM 526 C ALA A 49 2.038 -3.082 7.260 1.00 0.53 C ATOM 527 O ALA A 49 1.403 -2.360 6.505 1.00 0.69 O ATOM 528 CB ALA A 49 3.005 -1.690 9.092 1.00 0.76 C ATOM 0 H ALA A 49 3.508 -1.359 6.222 1.00 0.54 H new ATOM 0 HA ALA A 49 3.899 -3.429 8.238 1.00 0.59 H new ATOM 0 HB1 ALA A 49 2.428 -2.256 9.823 1.00 0.76 H new ATOM 0 HB2 ALA A 49 3.938 -1.355 9.546 1.00 0.76 H new ATOM 0 HB3 ALA A 49 2.429 -0.824 8.766 1.00 0.76 H new ATOM 534 N LYS A 50 1.692 -4.339 7.550 1.00 0.55 N ATOM 535 CA LYS A 50 0.433 -4.976 7.076 1.00 0.70 C ATOM 536 C LYS A 50 0.312 -4.928 5.555 1.00 0.60 C ATOM 537 O LYS A 50 -0.787 -4.886 5.007 1.00 0.74 O ATOM 538 CB LYS A 50 -0.772 -4.324 7.760 1.00 0.98 C ATOM 539 CG LYS A 50 -0.597 -4.310 9.246 1.00 1.44 C ATOM 540 CD LYS A 50 -1.804 -3.802 10.024 1.00 1.95 C ATOM 541 CE LYS A 50 -1.530 -3.923 11.526 1.00 2.92 C ATOM 542 NZ LYS A 50 -2.667 -3.481 12.374 1.00 3.63 N ATOM 0 H LYS A 50 2.270 -4.956 8.121 1.00 0.55 H new ATOM 0 HA LYS A 50 0.457 -6.030 7.351 1.00 0.70 H new ATOM 0 HB2 LYS A 50 -0.896 -3.305 7.394 1.00 0.98 H new ATOM 0 HB3 LYS A 50 -1.681 -4.868 7.502 1.00 0.98 H new ATOM 0 HG2 LYS A 50 -0.366 -5.321 9.581 1.00 1.44 H new ATOM 0 HG3 LYS A 50 0.264 -3.688 9.491 1.00 1.44 H new ATOM 0 HD2 LYS A 50 -2.008 -2.763 9.763 1.00 1.95 H new ATOM 0 HD3 LYS A 50 -2.691 -4.377 9.758 1.00 1.95 H new ATOM 0 HE2 LYS A 50 -1.293 -4.961 11.762 1.00 2.92 H new ATOM 0 HE3 LYS A 50 -0.650 -3.331 11.775 1.00 2.92 H new ATOM 0 HZ1 LYS A 50 -2.415 -3.589 13.377 1.00 3.63 H new ATOM 0 HZ2 LYS A 50 -2.880 -2.482 12.176 1.00 3.63 H new ATOM 0 HZ3 LYS A 50 -3.504 -4.062 12.163 1.00 3.63 H new ATOM 556 N VAL A 51 1.449 -5.084 4.907 1.00 0.64 N ATOM 557 CA VAL A 51 1.569 -4.991 3.453 1.00 0.54 C ATOM 558 C VAL A 51 0.834 -6.155 2.740 1.00 0.72 C ATOM 559 O VAL A 51 1.200 -7.327 2.888 1.00 1.07 O ATOM 560 CB VAL A 51 3.070 -5.094 3.112 1.00 0.78 C ATOM 561 CG1 VAL A 51 3.340 -5.068 1.623 1.00 1.52 C ATOM 562 CG2 VAL A 51 3.817 -3.994 3.787 1.00 1.44 C ATOM 0 H VAL A 51 2.333 -5.282 5.376 1.00 0.64 H new ATOM 0 HA VAL A 51 1.125 -4.053 3.119 1.00 0.54 H new ATOM 0 HB VAL A 51 3.416 -6.061 3.477 1.00 0.78 H new ATOM 0 HG11 VAL A 51 4.413 -5.144 1.446 1.00 1.52 H new ATOM 0 HG12 VAL A 51 2.834 -5.908 1.147 1.00 1.52 H new ATOM 0 HG13 VAL A 51 2.968 -4.134 1.202 1.00 1.52 H new ATOM 0 HG21 VAL A 51 4.877 -4.071 3.543 1.00 1.44 H new ATOM 0 HG22 VAL A 51 3.435 -3.032 3.446 1.00 1.44 H new ATOM 0 HG23 VAL A 51 3.686 -4.074 4.866 1.00 1.44 H new ATOM 572 N ARG A 52 -0.177 -5.807 1.953 1.00 0.93 N ATOM 573 CA ARG A 52 -0.987 -6.761 1.222 1.00 1.36 C ATOM 574 C ARG A 52 -1.773 -5.965 0.163 1.00 1.77 C ATOM 575 O ARG A 52 -2.068 -4.801 0.384 1.00 2.15 O ATOM 576 CB ARG A 52 -1.993 -7.434 2.190 1.00 1.98 C ATOM 577 CG ARG A 52 -2.756 -8.606 1.602 1.00 2.57 C ATOM 578 CD ARG A 52 -1.922 -9.878 1.567 1.00 3.14 C ATOM 579 NE ARG A 52 -1.787 -10.506 2.907 1.00 3.81 N ATOM 580 CZ ARG A 52 -0.972 -11.537 3.176 1.00 4.54 C ATOM 581 NH1 ARG A 52 -0.040 -11.886 2.295 1.00 4.84 N ATOM 582 NH2 ARG A 52 -1.073 -12.198 4.334 1.00 5.32 N ATOM 0 H ARG A 52 -0.458 -4.838 1.806 1.00 0.93 H new ATOM 0 HA ARG A 52 -0.364 -7.529 0.764 1.00 1.36 H new ATOM 0 HB2 ARG A 52 -1.453 -7.777 3.072 1.00 1.98 H new ATOM 0 HB3 ARG A 52 -2.709 -6.684 2.526 1.00 1.98 H new ATOM 0 HG2 ARG A 52 -3.658 -8.781 2.189 1.00 2.57 H new ATOM 0 HG3 ARG A 52 -3.078 -8.357 0.591 1.00 2.57 H new ATOM 0 HD2 ARG A 52 -2.379 -10.590 0.880 1.00 3.14 H new ATOM 0 HD3 ARG A 52 -0.931 -9.648 1.175 1.00 3.14 H new ATOM 0 HE ARG A 52 -2.349 -10.129 3.670 1.00 3.81 H new ATOM 0 HH11 ARG A 52 0.053 -11.371 1.420 1.00 4.84 H new ATOM 0 HH12 ARG A 52 0.582 -12.669 2.494 1.00 4.84 H new ATOM 0 HH21 ARG A 52 -1.774 -11.919 5.021 1.00 5.32 H new ATOM 0 HH22 ARG A 52 -0.449 -12.981 4.530 1.00 5.32 H new ATOM 596 N SER A 53 -2.093 -6.590 -0.954 1.00 2.22 N ATOM 597 CA SER A 53 -2.879 -5.947 -2.015 1.00 2.91 C ATOM 598 C SER A 53 -3.987 -6.894 -2.469 1.00 3.21 C ATOM 599 O SER A 53 -3.795 -8.110 -2.456 1.00 3.47 O ATOM 600 CB SER A 53 -1.989 -5.629 -3.228 1.00 3.72 C ATOM 601 OG SER A 53 -0.897 -4.797 -2.885 1.00 4.00 O ATOM 0 H SER A 53 -1.822 -7.552 -1.161 1.00 2.22 H new ATOM 0 HA SER A 53 -3.300 -5.023 -1.620 1.00 2.91 H new ATOM 0 HB2 SER A 53 -1.615 -6.559 -3.656 1.00 3.72 H new ATOM 0 HB3 SER A 53 -2.587 -5.142 -3.998 1.00 3.72 H new ATOM 0 HG SER A 53 -0.624 -4.275 -3.669 1.00 4.00 H new ATOM 607 N PHE A 54 -5.138 -6.347 -2.832 1.00 3.60 N ATOM 608 CA PHE A 54 -6.243 -7.144 -3.371 1.00 4.15 C ATOM 609 C PHE A 54 -6.989 -6.453 -4.498 1.00 4.64 C ATOM 610 O PHE A 54 -6.600 -6.556 -5.638 1.00 5.36 O ATOM 611 CB PHE A 54 -7.221 -7.691 -2.308 1.00 4.85 C ATOM 612 CG PHE A 54 -6.690 -8.861 -1.549 1.00 5.25 C ATOM 613 CD1 PHE A 54 -6.651 -10.112 -2.143 1.00 5.67 C ATOM 614 CD2 PHE A 54 -6.258 -8.732 -0.246 1.00 5.62 C ATOM 615 CE1 PHE A 54 -6.174 -11.206 -1.464 1.00 6.40 C ATOM 616 CE2 PHE A 54 -5.774 -9.829 0.438 1.00 6.37 C ATOM 617 CZ PHE A 54 -5.740 -11.071 -0.169 1.00 6.75 C ATOM 0 H PHE A 54 -5.337 -5.349 -2.764 1.00 3.60 H new ATOM 0 HA PHE A 54 -5.743 -8.015 -3.794 1.00 4.15 H new ATOM 0 HB2 PHE A 54 -7.463 -6.893 -1.606 1.00 4.85 H new ATOM 0 HB3 PHE A 54 -8.152 -7.979 -2.797 1.00 4.85 H new ATOM 0 HD1 PHE A 54 -7.002 -10.229 -3.158 1.00 5.67 H new ATOM 0 HD2 PHE A 54 -6.298 -7.769 0.241 1.00 5.62 H new ATOM 0 HE1 PHE A 54 -6.140 -12.171 -1.948 1.00 6.40 H new ATOM 0 HE2 PHE A 54 -5.420 -9.717 1.452 1.00 6.37 H new ATOM 0 HZ PHE A 54 -5.374 -11.930 0.373 1.00 6.75 H new ATOM 627 N GLY A 55 -8.031 -5.725 -4.161 1.00 4.55 N ATOM 628 CA GLY A 55 -8.822 -5.086 -5.181 1.00 5.26 C ATOM 629 C GLY A 55 -9.666 -3.977 -4.638 1.00 5.56 C ATOM 630 O GLY A 55 -9.544 -2.835 -5.066 1.00 5.90 O ATOM 0 H GLY A 55 -8.344 -5.564 -3.204 1.00 4.55 H new ATOM 0 HA2 GLY A 55 -8.163 -4.692 -5.954 1.00 5.26 H new ATOM 0 HA3 GLY A 55 -9.464 -5.828 -5.657 1.00 5.26 H new ATOM 634 N THR A 56 -10.491 -4.293 -3.665 1.00 5.65 N ATOM 635 CA THR A 56 -11.389 -3.323 -3.098 1.00 6.13 C ATOM 636 C THR A 56 -11.284 -3.234 -1.577 1.00 6.59 C ATOM 637 O THR A 56 -11.239 -4.260 -0.889 1.00 7.05 O ATOM 638 CB THR A 56 -12.822 -3.588 -3.539 1.00 6.49 C ATOM 639 OG1 THR A 56 -12.960 -3.422 -4.943 1.00 6.69 O ATOM 640 CG2 THR A 56 -13.821 -2.748 -2.797 1.00 6.70 C ATOM 0 H THR A 56 -10.555 -5.223 -3.250 1.00 5.65 H new ATOM 0 HA THR A 56 -11.083 -2.350 -3.482 1.00 6.13 H new ATOM 0 HB THR A 56 -13.040 -4.626 -3.289 1.00 6.49 H new ATOM 0 HG1 THR A 56 -13.888 -3.599 -5.204 1.00 6.69 H new ATOM 0 HG21 THR A 56 -14.825 -2.979 -3.152 1.00 6.70 H new ATOM 0 HG22 THR A 56 -13.755 -2.962 -1.730 1.00 6.70 H new ATOM 0 HG23 THR A 56 -13.609 -1.693 -2.969 1.00 6.70 H new ATOM 648 N GLU A 57 -11.165 -2.001 -1.071 1.00 6.75 N ATOM 649 CA GLU A 57 -11.122 -1.753 0.371 1.00 7.40 C ATOM 650 C GLU A 57 -12.481 -1.310 0.936 1.00 8.18 C ATOM 651 O GLU A 57 -12.901 -1.779 1.982 1.00 8.38 O ATOM 652 CB GLU A 57 -10.056 -0.711 0.693 1.00 7.59 C ATOM 653 CG GLU A 57 -10.286 0.629 0.036 1.00 7.33 C ATOM 654 CD GLU A 57 -9.186 1.609 0.295 1.00 7.60 C ATOM 655 OE1 GLU A 57 -9.059 2.090 1.419 1.00 7.63 O ATOM 656 OE2 GLU A 57 -8.424 1.903 -0.640 1.00 8.03 O ATOM 0 H GLU A 57 -11.097 -1.159 -1.642 1.00 6.75 H new ATOM 0 HA GLU A 57 -10.869 -2.699 0.850 1.00 7.40 H new ATOM 0 HB2 GLU A 57 -10.014 -0.572 1.773 1.00 7.59 H new ATOM 0 HB3 GLU A 57 -9.084 -1.094 0.383 1.00 7.59 H new ATOM 0 HG2 GLU A 57 -10.391 0.486 -1.039 1.00 7.33 H new ATOM 0 HG3 GLU A 57 -11.227 1.046 0.395 1.00 7.33 H new ATOM 663 N ASP A 58 -13.144 -0.416 0.211 1.00 8.77 N ATOM 664 CA ASP A 58 -14.436 0.178 0.627 1.00 9.67 C ATOM 665 C ASP A 58 -15.508 -0.895 0.715 1.00 9.51 C ATOM 666 O ASP A 58 -16.072 -1.161 1.784 1.00 10.10 O ATOM 667 CB ASP A 58 -14.851 1.280 -0.376 1.00 10.59 C ATOM 668 CG ASP A 58 -16.207 1.921 -0.069 1.00 11.21 C ATOM 669 OD1 ASP A 58 -16.260 2.816 0.788 1.00 11.40 O ATOM 670 OD2 ASP A 58 -17.235 1.495 -0.662 1.00 11.70 O ATOM 0 H ASP A 58 -12.809 -0.073 -0.689 1.00 8.77 H new ATOM 0 HA ASP A 58 -14.321 0.625 1.614 1.00 9.67 H new ATOM 0 HB2 ASP A 58 -14.087 2.057 -0.384 1.00 10.59 H new ATOM 0 HB3 ASP A 58 -14.881 0.853 -1.378 1.00 10.59 H new ATOM 675 N ARG A 59 -15.770 -1.509 -0.415 1.00 8.84 N ATOM 676 CA ARG A 59 -16.679 -2.622 -0.502 1.00 8.83 C ATOM 677 C ARG A 59 -15.832 -3.886 -0.261 1.00 8.12 C ATOM 678 O ARG A 59 -14.610 -3.775 -0.128 1.00 7.53 O ATOM 679 CB ARG A 59 -17.357 -2.618 -1.893 1.00 8.99 C ATOM 680 CG ARG A 59 -18.116 -1.320 -2.186 1.00 9.86 C ATOM 681 CD ARG A 59 -18.697 -1.281 -3.597 1.00 10.46 C ATOM 682 NE ARG A 59 -19.692 -2.340 -3.853 1.00 10.90 N ATOM 683 CZ ARG A 59 -20.312 -2.523 -5.033 1.00 11.61 C ATOM 684 NH1 ARG A 59 -20.068 -1.678 -6.051 1.00 11.96 N ATOM 685 NH2 ARG A 59 -21.194 -3.521 -5.183 1.00 12.15 N ATOM 0 H ARG A 59 -15.353 -1.245 -1.308 1.00 8.84 H new ATOM 0 HA ARG A 59 -17.481 -2.574 0.234 1.00 8.83 H new ATOM 0 HB2 ARG A 59 -16.599 -2.770 -2.661 1.00 8.99 H new ATOM 0 HB3 ARG A 59 -18.048 -3.459 -1.957 1.00 8.99 H new ATOM 0 HG2 ARG A 59 -18.923 -1.205 -1.462 1.00 9.86 H new ATOM 0 HG3 ARG A 59 -17.444 -0.473 -2.051 1.00 9.86 H new ATOM 0 HD2 ARG A 59 -19.162 -0.309 -3.763 1.00 10.46 H new ATOM 0 HD3 ARG A 59 -17.885 -1.374 -4.318 1.00 10.46 H new ATOM 0 HE ARG A 59 -19.924 -2.973 -3.088 1.00 10.90 H new ATOM 0 HH11 ARG A 59 -19.416 -0.904 -5.926 1.00 11.96 H new ATOM 0 HH12 ARG A 59 -20.535 -1.812 -6.948 1.00 11.96 H new ATOM 0 HH21 ARG A 59 -21.397 -4.144 -4.401 1.00 12.15 H new ATOM 0 HH22 ARG A 59 -21.662 -3.657 -6.079 1.00 12.15 H new ATOM 699 N PRO A 60 -16.393 -5.089 -0.194 1.00 8.32 N ATOM 700 CA PRO A 60 -15.588 -6.259 0.091 1.00 7.97 C ATOM 701 C PRO A 60 -15.049 -6.965 -1.155 1.00 7.54 C ATOM 702 O PRO A 60 -14.878 -8.181 -1.149 1.00 7.87 O ATOM 703 CB PRO A 60 -16.534 -7.137 0.895 1.00 8.71 C ATOM 704 CG PRO A 60 -17.902 -6.815 0.352 1.00 9.32 C ATOM 705 CD PRO A 60 -17.817 -5.442 -0.308 1.00 9.13 C ATOM 0 HA PRO A 60 -14.673 -6.003 0.625 1.00 7.97 H new ATOM 0 HB2 PRO A 60 -16.297 -8.194 0.771 1.00 8.71 H new ATOM 0 HB3 PRO A 60 -16.469 -6.919 1.961 1.00 8.71 H new ATOM 0 HG2 PRO A 60 -18.216 -7.569 -0.369 1.00 9.32 H new ATOM 0 HG3 PRO A 60 -18.642 -6.811 1.152 1.00 9.32 H new ATOM 0 HD2 PRO A 60 -18.139 -5.477 -1.349 1.00 9.13 H new ATOM 0 HD3 PRO A 60 -18.452 -4.714 0.198 1.00 9.13 H new ATOM 713 N THR A 61 -14.705 -6.158 -2.173 1.00 7.06 N ATOM 714 CA THR A 61 -14.107 -6.593 -3.452 1.00 6.93 C ATOM 715 C THR A 61 -14.852 -7.809 -4.071 1.00 7.37 C ATOM 716 O THR A 61 -16.028 -8.074 -3.767 1.00 7.57 O ATOM 717 CB THR A 61 -12.542 -6.885 -3.256 1.00 6.40 C ATOM 718 OG1 THR A 61 -11.813 -6.727 -4.499 1.00 6.63 O ATOM 719 CG2 THR A 61 -12.271 -8.273 -2.724 1.00 6.24 C ATOM 0 H THR A 61 -14.840 -5.148 -2.129 1.00 7.06 H new ATOM 0 HA THR A 61 -14.218 -5.779 -4.169 1.00 6.93 H new ATOM 0 HB THR A 61 -12.200 -6.153 -2.524 1.00 6.40 H new ATOM 0 HG1 THR A 61 -10.862 -6.910 -4.346 1.00 6.63 H new ATOM 0 HG21 THR A 61 -11.196 -8.416 -2.611 1.00 6.24 H new ATOM 0 HG22 THR A 61 -12.757 -8.393 -1.756 1.00 6.24 H new ATOM 0 HG23 THR A 61 -12.664 -9.013 -3.421 1.00 6.24 H new ATOM 727 N ASP A 62 -14.172 -8.438 -4.998 1.00 7.84 N ATOM 728 CA ASP A 62 -14.583 -9.688 -5.663 1.00 8.59 C ATOM 729 C ASP A 62 -14.995 -10.742 -4.622 1.00 8.58 C ATOM 730 O ASP A 62 -16.136 -11.194 -4.582 1.00 9.09 O ATOM 731 CB ASP A 62 -13.371 -10.257 -6.412 1.00 9.39 C ATOM 732 CG ASP A 62 -12.685 -9.243 -7.274 1.00 10.02 C ATOM 733 OD1 ASP A 62 -12.042 -8.336 -6.730 1.00 10.17 O ATOM 734 OD2 ASP A 62 -12.826 -9.358 -8.526 1.00 10.54 O ATOM 0 H ASP A 62 -13.275 -8.092 -5.337 1.00 7.84 H new ATOM 0 HA ASP A 62 -15.417 -9.471 -6.330 1.00 8.59 H new ATOM 0 HB2 ASP A 62 -12.658 -10.653 -5.689 1.00 9.39 H new ATOM 0 HB3 ASP A 62 -13.694 -11.093 -7.032 1.00 9.39 H new ATOM 739 N ARG A 63 -14.030 -11.130 -3.790 1.00 8.24 N ATOM 740 CA ARG A 63 -14.215 -12.151 -2.771 1.00 8.47 C ATOM 741 C ARG A 63 -13.198 -12.017 -1.583 1.00 7.71 C ATOM 742 O ARG A 63 -13.620 -11.946 -0.439 1.00 7.62 O ATOM 743 CB ARG A 63 -14.172 -13.578 -3.393 1.00 9.43 C ATOM 744 CG ARG A 63 -14.340 -14.724 -2.390 1.00 10.10 C ATOM 745 CD ARG A 63 -14.236 -16.096 -3.068 1.00 10.99 C ATOM 746 NE ARG A 63 -15.280 -16.304 -4.092 1.00 11.57 N ATOM 747 CZ ARG A 63 -15.395 -17.403 -4.869 1.00 12.49 C ATOM 748 NH1 ARG A 63 -14.501 -18.390 -4.778 1.00 12.92 N ATOM 749 NH2 ARG A 63 -16.399 -17.499 -5.752 1.00 13.10 N ATOM 0 H ARG A 63 -13.089 -10.737 -3.808 1.00 8.24 H new ATOM 0 HA ARG A 63 -15.206 -11.992 -2.347 1.00 8.47 H new ATOM 0 HB2 ARG A 63 -14.957 -13.655 -4.145 1.00 9.43 H new ATOM 0 HB3 ARG A 63 -13.221 -13.704 -3.911 1.00 9.43 H new ATOM 0 HG2 ARG A 63 -13.578 -14.643 -1.615 1.00 10.10 H new ATOM 0 HG3 ARG A 63 -15.308 -14.635 -1.896 1.00 10.10 H new ATOM 0 HD2 ARG A 63 -13.254 -16.195 -3.530 1.00 10.99 H new ATOM 0 HD3 ARG A 63 -14.313 -16.878 -2.312 1.00 10.99 H new ATOM 0 HE ARG A 63 -15.967 -15.561 -4.222 1.00 11.57 H new ATOM 0 HH11 ARG A 63 -13.726 -18.317 -4.119 1.00 12.92 H new ATOM 0 HH12 ARG A 63 -14.593 -19.217 -5.367 1.00 12.92 H new ATOM 0 HH21 ARG A 63 -17.077 -16.742 -5.838 1.00 13.10 H new ATOM 0 HH22 ARG A 63 -16.485 -18.329 -6.338 1.00 13.10 H new ATOM 763 N PRO A 64 -11.844 -11.998 -1.826 1.00 7.39 N ATOM 764 CA PRO A 64 -10.862 -11.933 -0.730 1.00 6.90 C ATOM 765 C PRO A 64 -10.467 -10.502 -0.319 1.00 6.03 C ATOM 766 O PRO A 64 -10.036 -9.686 -1.146 1.00 6.04 O ATOM 767 CB PRO A 64 -9.664 -12.656 -1.338 1.00 7.33 C ATOM 768 CG PRO A 64 -9.710 -12.310 -2.800 1.00 7.79 C ATOM 769 CD PRO A 64 -11.161 -12.063 -3.148 1.00 7.79 C ATOM 0 HA PRO A 64 -11.256 -12.365 0.190 1.00 6.90 H new ATOM 0 HB2 PRO A 64 -8.730 -12.327 -0.883 1.00 7.33 H new ATOM 0 HB3 PRO A 64 -9.732 -13.733 -1.184 1.00 7.33 H new ATOM 0 HG2 PRO A 64 -9.107 -11.425 -3.007 1.00 7.79 H new ATOM 0 HG3 PRO A 64 -9.301 -13.122 -3.402 1.00 7.79 H new ATOM 0 HD2 PRO A 64 -11.285 -11.135 -3.707 1.00 7.79 H new ATOM 0 HD3 PRO A 64 -11.565 -12.864 -3.767 1.00 7.79 H new ATOM 777 N ILE A 65 -10.604 -10.225 0.952 1.00 5.53 N ATOM 778 CA ILE A 65 -10.231 -8.963 1.527 1.00 4.81 C ATOM 779 C ILE A 65 -9.464 -9.177 2.781 1.00 4.50 C ATOM 780 O ILE A 65 -9.808 -10.041 3.584 1.00 4.92 O ATOM 781 CB ILE A 65 -11.411 -7.987 1.843 1.00 4.79 C ATOM 782 CG1 ILE A 65 -12.600 -8.669 2.596 1.00 5.45 C ATOM 783 CG2 ILE A 65 -11.858 -7.231 0.628 1.00 4.94 C ATOM 784 CD1 ILE A 65 -13.484 -9.578 1.763 1.00 5.96 C ATOM 0 H ILE A 65 -10.986 -10.886 1.628 1.00 5.53 H new ATOM 0 HA ILE A 65 -9.633 -8.484 0.751 1.00 4.81 H new ATOM 0 HB ILE A 65 -11.010 -7.254 2.543 1.00 4.79 H new ATOM 0 HG12 ILE A 65 -12.194 -9.250 3.424 1.00 5.45 H new ATOM 0 HG13 ILE A 65 -13.224 -7.888 3.031 1.00 5.45 H new ATOM 0 HG21 ILE A 65 -12.679 -6.566 0.895 1.00 4.94 H new ATOM 0 HG22 ILE A 65 -11.027 -6.643 0.239 1.00 4.94 H new ATOM 0 HG23 ILE A 65 -12.194 -7.934 -0.135 1.00 4.94 H new ATOM 0 HD11 ILE A 65 -14.273 -9.993 2.390 1.00 5.96 H new ATOM 0 HD12 ILE A 65 -13.931 -9.006 0.950 1.00 5.96 H new ATOM 0 HD13 ILE A 65 -12.885 -10.389 1.349 1.00 5.96 H new ATOM 796 N ALA A 66 -8.435 -8.396 2.960 1.00 4.20 N ATOM 797 CA ALA A 66 -7.631 -8.504 4.142 1.00 4.33 C ATOM 798 C ALA A 66 -8.136 -7.520 5.179 1.00 4.07 C ATOM 799 O ALA A 66 -8.116 -6.305 4.945 1.00 3.75 O ATOM 800 CB ALA A 66 -6.171 -8.238 3.826 1.00 4.69 C ATOM 0 H ALA A 66 -8.134 -7.678 2.301 1.00 4.20 H new ATOM 0 HA ALA A 66 -7.708 -9.518 4.535 1.00 4.33 H new ATOM 0 HB1 ALA A 66 -5.580 -8.325 4.737 1.00 4.69 H new ATOM 0 HB2 ALA A 66 -5.819 -8.965 3.094 1.00 4.69 H new ATOM 0 HB3 ALA A 66 -6.064 -7.232 3.419 1.00 4.69 H new ATOM 806 N PRO A 67 -8.592 -8.009 6.345 1.00 4.67 N ATOM 807 CA PRO A 67 -9.091 -7.155 7.437 1.00 4.98 C ATOM 808 C PRO A 67 -7.944 -6.493 8.212 1.00 4.85 C ATOM 809 O PRO A 67 -8.138 -5.997 9.308 1.00 5.44 O ATOM 810 CB PRO A 67 -9.833 -8.144 8.367 1.00 5.97 C ATOM 811 CG PRO A 67 -9.832 -9.468 7.667 1.00 6.19 C ATOM 812 CD PRO A 67 -8.692 -9.437 6.703 1.00 5.51 C ATOM 0 HA PRO A 67 -9.715 -6.344 7.061 1.00 4.98 H new ATOM 0 HB2 PRO A 67 -9.334 -8.216 9.334 1.00 5.97 H new ATOM 0 HB3 PRO A 67 -10.852 -7.807 8.558 1.00 5.97 H new ATOM 0 HG2 PRO A 67 -9.715 -10.284 8.380 1.00 6.19 H new ATOM 0 HG3 PRO A 67 -10.776 -9.633 7.147 1.00 6.19 H new ATOM 0 HD2 PRO A 67 -7.771 -9.804 7.156 1.00 5.51 H new ATOM 0 HD3 PRO A 67 -8.887 -10.059 5.829 1.00 5.51 H new ATOM 820 N ARG A 68 -6.750 -6.479 7.589 1.00 4.34 N ATOM 821 CA ARG A 68 -5.487 -5.941 8.148 1.00 4.37 C ATOM 822 C ARG A 68 -4.854 -6.915 9.158 1.00 4.47 C ATOM 823 O ARG A 68 -3.657 -6.882 9.380 1.00 5.10 O ATOM 824 CB ARG A 68 -5.675 -4.538 8.757 1.00 5.11 C ATOM 825 CG ARG A 68 -6.249 -3.506 7.791 1.00 5.88 C ATOM 826 CD ARG A 68 -6.572 -2.211 8.511 1.00 6.72 C ATOM 827 NE ARG A 68 -7.510 -2.444 9.629 1.00 7.26 N ATOM 828 CZ ARG A 68 -8.007 -1.496 10.443 1.00 8.17 C ATOM 829 NH1 ARG A 68 -7.778 -0.202 10.195 1.00 8.64 N ATOM 830 NH2 ARG A 68 -8.770 -1.852 11.492 1.00 8.80 N ATOM 0 H ARG A 68 -6.630 -6.855 6.648 1.00 4.34 H new ATOM 0 HA ARG A 68 -4.792 -5.836 7.315 1.00 4.37 H new ATOM 0 HB2 ARG A 68 -6.334 -4.615 9.622 1.00 5.11 H new ATOM 0 HB3 ARG A 68 -4.712 -4.181 9.122 1.00 5.11 H new ATOM 0 HG2 ARG A 68 -5.534 -3.313 6.991 1.00 5.88 H new ATOM 0 HG3 ARG A 68 -7.151 -3.902 7.324 1.00 5.88 H new ATOM 0 HD2 ARG A 68 -5.653 -1.763 8.890 1.00 6.72 H new ATOM 0 HD3 ARG A 68 -7.007 -1.500 7.809 1.00 6.72 H new ATOM 0 HE ARG A 68 -7.806 -3.406 9.798 1.00 7.26 H new ATOM 0 HH11 ARG A 68 -7.223 0.071 9.384 1.00 8.64 H new ATOM 0 HH12 ARG A 68 -8.158 0.512 10.817 1.00 8.64 H new ATOM 0 HH21 ARG A 68 -8.969 -2.837 11.667 1.00 8.80 H new ATOM 0 HH22 ARG A 68 -9.149 -1.137 12.113 1.00 8.80 H new ATOM 844 N ASP A 69 -5.670 -7.791 9.732 1.00 4.27 N ATOM 845 CA ASP A 69 -5.202 -8.785 10.729 1.00 4.77 C ATOM 846 C ASP A 69 -4.811 -10.099 10.050 1.00 4.67 C ATOM 847 O ASP A 69 -4.565 -11.098 10.714 1.00 5.15 O ATOM 848 CB ASP A 69 -6.304 -9.094 11.765 1.00 5.35 C ATOM 849 CG ASP A 69 -6.780 -7.893 12.552 1.00 6.03 C ATOM 850 OD1 ASP A 69 -6.082 -7.496 13.516 1.00 6.55 O ATOM 851 OD2 ASP A 69 -7.871 -7.366 12.232 1.00 6.30 O ATOM 0 H ASP A 69 -6.669 -7.844 9.532 1.00 4.27 H new ATOM 0 HA ASP A 69 -4.336 -8.349 11.227 1.00 4.77 H new ATOM 0 HB2 ASP A 69 -7.157 -9.535 11.249 1.00 5.35 H new ATOM 0 HB3 ASP A 69 -5.930 -9.844 12.462 1.00 5.35 H new ATOM 856 N GLU A 70 -4.757 -10.093 8.735 1.00 4.43 N ATOM 857 CA GLU A 70 -4.449 -11.310 7.989 1.00 4.73 C ATOM 858 C GLU A 70 -3.023 -11.258 7.443 1.00 4.23 C ATOM 859 O GLU A 70 -2.429 -12.283 7.103 1.00 4.51 O ATOM 860 CB GLU A 70 -5.414 -11.483 6.821 1.00 5.46 C ATOM 861 CG GLU A 70 -5.226 -12.783 6.066 1.00 6.15 C ATOM 862 CD GLU A 70 -6.051 -12.863 4.814 1.00 6.83 C ATOM 863 OE1 GLU A 70 -7.255 -13.168 4.909 1.00 7.05 O ATOM 864 OE2 GLU A 70 -5.486 -12.619 3.732 1.00 7.39 O ATOM 0 H GLU A 70 -4.920 -9.268 8.157 1.00 4.43 H new ATOM 0 HA GLU A 70 -4.549 -12.152 8.673 1.00 4.73 H new ATOM 0 HB2 GLU A 70 -6.437 -11.435 7.195 1.00 5.46 H new ATOM 0 HB3 GLU A 70 -5.288 -10.650 6.130 1.00 5.46 H new ATOM 0 HG2 GLU A 70 -4.173 -12.897 5.808 1.00 6.15 H new ATOM 0 HG3 GLU A 70 -5.486 -13.616 6.719 1.00 6.15 H new ATOM 871 N THR A 71 -2.496 -10.076 7.346 1.00 3.85 N ATOM 872 CA THR A 71 -1.193 -9.890 6.798 1.00 3.57 C ATOM 873 C THR A 71 -0.127 -10.292 7.821 1.00 3.98 C ATOM 874 O THR A 71 -0.389 -10.297 9.029 1.00 4.61 O ATOM 875 CB THR A 71 -1.002 -8.410 6.396 1.00 3.35 C ATOM 876 OG1 THR A 71 -2.067 -8.015 5.514 1.00 3.73 O ATOM 877 CG2 THR A 71 0.324 -8.213 5.682 1.00 3.20 C ATOM 0 H THR A 71 -2.958 -9.217 7.644 1.00 3.85 H new ATOM 0 HA THR A 71 -1.088 -10.520 5.914 1.00 3.57 H new ATOM 0 HB THR A 71 -1.012 -7.802 7.301 1.00 3.35 H new ATOM 0 HG1 THR A 71 -1.949 -7.076 5.259 1.00 3.73 H new ATOM 0 HG21 THR A 71 0.437 -7.164 5.408 1.00 3.20 H new ATOM 0 HG22 THR A 71 1.140 -8.506 6.343 1.00 3.20 H new ATOM 0 HG23 THR A 71 0.347 -8.827 4.782 1.00 3.20 H new ATOM 885 N PHE A 72 1.056 -10.671 7.325 1.00 3.94 N ATOM 886 CA PHE A 72 2.193 -10.918 8.180 1.00 4.53 C ATOM 887 C PHE A 72 2.509 -9.640 8.952 1.00 4.27 C ATOM 888 O PHE A 72 2.096 -8.549 8.532 1.00 4.46 O ATOM 889 CB PHE A 72 3.410 -11.385 7.350 1.00 5.25 C ATOM 890 CG PHE A 72 3.806 -10.449 6.231 1.00 5.93 C ATOM 891 CD1 PHE A 72 4.676 -9.390 6.469 1.00 6.31 C ATOM 892 CD2 PHE A 72 3.309 -10.620 4.946 1.00 6.46 C ATOM 893 CE1 PHE A 72 5.035 -8.534 5.458 1.00 7.11 C ATOM 894 CE2 PHE A 72 3.668 -9.763 3.930 1.00 7.32 C ATOM 895 CZ PHE A 72 4.524 -8.736 4.166 1.00 7.60 C ATOM 0 H PHE A 72 1.238 -10.810 6.331 1.00 3.94 H new ATOM 0 HA PHE A 72 1.959 -11.716 8.884 1.00 4.53 H new ATOM 0 HB2 PHE A 72 4.262 -11.512 8.018 1.00 5.25 H new ATOM 0 HB3 PHE A 72 3.189 -12.364 6.926 1.00 5.25 H new ATOM 0 HD1 PHE A 72 5.074 -9.240 7.462 1.00 6.31 H new ATOM 0 HD2 PHE A 72 2.632 -11.436 4.741 1.00 6.46 H new ATOM 0 HE1 PHE A 72 5.706 -7.711 5.655 1.00 7.11 H new ATOM 0 HE2 PHE A 72 3.266 -9.909 2.938 1.00 7.32 H new ATOM 0 HZ PHE A 72 4.811 -8.076 3.361 1.00 7.60 H new ATOM 905 N GLU A 73 3.259 -9.779 10.024 1.00 4.23 N ATOM 906 CA GLU A 73 3.531 -8.682 10.962 1.00 4.34 C ATOM 907 C GLU A 73 3.954 -7.382 10.252 1.00 3.40 C ATOM 908 O GLU A 73 3.238 -6.362 10.361 1.00 3.76 O ATOM 909 CB GLU A 73 4.562 -9.154 11.991 1.00 5.08 C ATOM 910 CG GLU A 73 4.062 -10.384 12.754 1.00 5.69 C ATOM 911 CD GLU A 73 5.056 -10.970 13.716 1.00 6.39 C ATOM 912 OE1 GLU A 73 5.977 -11.676 13.269 1.00 6.72 O ATOM 913 OE2 GLU A 73 4.965 -10.683 14.921 1.00 6.86 O ATOM 0 H GLU A 73 3.706 -10.659 10.282 1.00 4.23 H new ATOM 0 HA GLU A 73 2.607 -8.426 11.480 1.00 4.34 H new ATOM 0 HB2 GLU A 73 5.499 -9.392 11.488 1.00 5.08 H new ATOM 0 HB3 GLU A 73 4.773 -8.348 12.694 1.00 5.08 H new ATOM 0 HG2 GLU A 73 3.161 -10.113 13.304 1.00 5.69 H new ATOM 0 HG3 GLU A 73 3.777 -11.151 12.034 1.00 5.69 H new ATOM 920 N TYR A 74 5.074 -7.423 9.499 1.00 2.52 N ATOM 921 CA TYR A 74 5.541 -6.283 8.684 1.00 1.62 C ATOM 922 C TYR A 74 6.886 -6.588 8.031 1.00 1.55 C ATOM 923 O TYR A 74 7.426 -7.687 8.227 1.00 2.04 O ATOM 924 CB TYR A 74 5.606 -4.971 9.475 1.00 1.64 C ATOM 925 CG TYR A 74 6.582 -4.946 10.629 1.00 2.33 C ATOM 926 CD1 TYR A 74 6.298 -5.605 11.808 1.00 2.84 C ATOM 927 CD2 TYR A 74 7.759 -4.251 10.539 1.00 3.09 C ATOM 928 CE1 TYR A 74 7.169 -5.566 12.881 1.00 3.84 C ATOM 929 CE2 TYR A 74 8.648 -4.205 11.596 1.00 4.10 C ATOM 930 CZ TYR A 74 8.349 -4.863 12.767 1.00 4.41 C ATOM 931 OH TYR A 74 9.236 -4.808 13.833 1.00 5.54 O ATOM 0 H TYR A 74 5.677 -8.244 9.439 1.00 2.52 H new ATOM 0 HA TYR A 74 4.797 -6.141 7.900 1.00 1.62 H new ATOM 0 HB2 TYR A 74 5.865 -4.166 8.787 1.00 1.64 H new ATOM 0 HB3 TYR A 74 4.610 -4.752 9.861 1.00 1.64 H new ATOM 0 HD1 TYR A 74 5.377 -6.162 11.894 1.00 2.84 H new ATOM 0 HD2 TYR A 74 7.997 -3.729 9.624 1.00 3.09 H new ATOM 0 HE1 TYR A 74 6.927 -6.081 13.799 1.00 3.84 H new ATOM 0 HE2 TYR A 74 9.573 -3.655 11.503 1.00 4.10 H new ATOM 0 HH TYR A 74 10.017 -4.272 13.582 1.00 5.54 H new ATOM 941 N ILE A 75 7.419 -5.639 7.262 1.00 1.22 N ATOM 942 CA ILE A 75 8.697 -5.825 6.596 1.00 1.39 C ATOM 943 C ILE A 75 9.463 -4.499 6.539 1.00 0.98 C ATOM 944 O ILE A 75 8.897 -3.450 6.198 1.00 1.15 O ATOM 945 CB ILE A 75 8.519 -6.435 5.156 1.00 2.16 C ATOM 946 CG1 ILE A 75 9.873 -6.645 4.445 1.00 2.78 C ATOM 947 CG2 ILE A 75 7.592 -5.590 4.297 1.00 2.77 C ATOM 948 CD1 ILE A 75 10.788 -7.652 5.117 1.00 3.80 C ATOM 0 H ILE A 75 6.981 -4.734 7.088 1.00 1.22 H new ATOM 0 HA ILE A 75 9.278 -6.540 7.179 1.00 1.39 H new ATOM 0 HB ILE A 75 8.058 -7.413 5.290 1.00 2.16 H new ATOM 0 HG12 ILE A 75 9.685 -6.970 3.422 1.00 2.78 H new ATOM 0 HG13 ILE A 75 10.390 -5.687 4.385 1.00 2.78 H new ATOM 0 HG21 ILE A 75 7.495 -6.044 3.311 1.00 2.77 H new ATOM 0 HG22 ILE A 75 6.611 -5.533 4.768 1.00 2.77 H new ATOM 0 HG23 ILE A 75 8.005 -4.586 4.195 1.00 2.77 H new ATOM 0 HD11 ILE A 75 11.715 -7.736 4.550 1.00 3.80 H new ATOM 0 HD12 ILE A 75 11.011 -7.321 6.131 1.00 3.80 H new ATOM 0 HD13 ILE A 75 10.296 -8.624 5.153 1.00 3.80 H new ATOM 960 N ILE A 76 10.723 -4.546 6.910 1.00 0.97 N ATOM 961 CA ILE A 76 11.575 -3.385 6.881 1.00 0.87 C ATOM 962 C ILE A 76 12.645 -3.578 5.809 1.00 0.78 C ATOM 963 O ILE A 76 13.357 -4.586 5.809 1.00 1.17 O ATOM 964 CB ILE A 76 12.258 -3.132 8.261 1.00 1.64 C ATOM 965 CG1 ILE A 76 11.210 -2.944 9.381 1.00 2.14 C ATOM 966 CG2 ILE A 76 13.189 -1.924 8.197 1.00 1.87 C ATOM 967 CD1 ILE A 76 10.260 -1.781 9.170 1.00 2.42 C ATOM 0 H ILE A 76 11.184 -5.394 7.241 1.00 0.97 H new ATOM 0 HA ILE A 76 10.958 -2.516 6.653 1.00 0.87 H new ATOM 0 HB ILE A 76 12.853 -4.014 8.498 1.00 1.64 H new ATOM 0 HG12 ILE A 76 10.627 -3.860 9.472 1.00 2.14 H new ATOM 0 HG13 ILE A 76 11.731 -2.803 10.328 1.00 2.14 H new ATOM 0 HG21 ILE A 76 13.652 -1.770 9.172 1.00 1.87 H new ATOM 0 HG22 ILE A 76 13.964 -2.101 7.451 1.00 1.87 H new ATOM 0 HG23 ILE A 76 12.617 -1.038 7.923 1.00 1.87 H new ATOM 0 HD11 ILE A 76 9.561 -1.726 10.004 1.00 2.42 H new ATOM 0 HD12 ILE A 76 10.828 -0.853 9.111 1.00 2.42 H new ATOM 0 HD13 ILE A 76 9.707 -1.927 8.242 1.00 2.42 H new ATOM 979 N PHE A 77 12.751 -2.634 4.911 1.00 0.64 N ATOM 980 CA PHE A 77 13.742 -2.709 3.870 1.00 0.75 C ATOM 981 C PHE A 77 14.902 -1.830 4.202 1.00 0.68 C ATOM 982 O PHE A 77 14.770 -0.907 4.992 1.00 0.65 O ATOM 983 CB PHE A 77 13.168 -2.373 2.497 1.00 1.02 C ATOM 984 CG PHE A 77 12.160 -3.374 2.013 1.00 1.18 C ATOM 985 CD1 PHE A 77 12.561 -4.599 1.497 1.00 1.44 C ATOM 986 CD2 PHE A 77 10.805 -3.089 2.072 1.00 1.69 C ATOM 987 CE1 PHE A 77 11.625 -5.523 1.063 1.00 1.87 C ATOM 988 CE2 PHE A 77 9.875 -4.012 1.638 1.00 2.31 C ATOM 989 CZ PHE A 77 10.301 -5.230 1.105 1.00 2.30 C ATOM 0 H PHE A 77 12.162 -1.802 4.880 1.00 0.64 H new ATOM 0 HA PHE A 77 14.087 -3.742 3.815 1.00 0.75 H new ATOM 0 HB2 PHE A 77 12.702 -1.389 2.537 1.00 1.02 H new ATOM 0 HB3 PHE A 77 13.983 -2.311 1.776 1.00 1.02 H new ATOM 0 HD1 PHE A 77 13.613 -4.834 1.433 1.00 1.44 H new ATOM 0 HD2 PHE A 77 10.474 -2.137 2.461 1.00 1.69 H new ATOM 0 HE1 PHE A 77 11.951 -6.482 0.689 1.00 1.87 H new ATOM 0 HE2 PHE A 77 8.820 -3.792 1.711 1.00 2.31 H new ATOM 0 HZ PHE A 77 9.578 -5.938 0.727 1.00 2.30 H new ATOM 999 N ARG A 78 16.017 -2.078 3.572 1.00 0.76 N ATOM 1000 CA ARG A 78 17.258 -1.378 3.889 1.00 0.80 C ATOM 1001 C ARG A 78 17.367 -0.062 3.151 1.00 0.71 C ATOM 1002 O ARG A 78 18.323 0.685 3.343 1.00 1.01 O ATOM 1003 CB ARG A 78 18.504 -2.263 3.649 1.00 1.04 C ATOM 1004 CG ARG A 78 18.746 -3.360 4.700 1.00 1.36 C ATOM 1005 CD ARG A 78 17.614 -4.377 4.802 1.00 1.38 C ATOM 1006 NE ARG A 78 17.876 -5.377 5.850 1.00 2.06 N ATOM 1007 CZ ARG A 78 16.984 -6.225 6.373 1.00 2.69 C ATOM 1008 NH1 ARG A 78 15.716 -6.188 5.991 1.00 3.02 N ATOM 1009 NH2 ARG A 78 17.363 -7.087 7.315 1.00 3.45 N ATOM 0 H ARG A 78 16.104 -2.767 2.825 1.00 0.76 H new ATOM 0 HA ARG A 78 17.224 -1.153 4.955 1.00 0.80 H new ATOM 0 HB2 ARG A 78 18.411 -2.735 2.671 1.00 1.04 H new ATOM 0 HB3 ARG A 78 19.383 -1.620 3.610 1.00 1.04 H new ATOM 0 HG2 ARG A 78 19.671 -3.883 4.459 1.00 1.36 H new ATOM 0 HG3 ARG A 78 18.890 -2.892 5.674 1.00 1.36 H new ATOM 0 HD2 ARG A 78 16.679 -3.861 5.017 1.00 1.38 H new ATOM 0 HD3 ARG A 78 17.488 -4.879 3.843 1.00 1.38 H new ATOM 0 HE ARG A 78 18.828 -5.428 6.212 1.00 2.06 H new ATOM 0 HH11 ARG A 78 15.413 -5.509 5.293 1.00 3.02 H new ATOM 0 HH12 ARG A 78 15.042 -6.839 6.395 1.00 3.02 H new ATOM 0 HH21 ARG A 78 18.331 -7.099 7.636 1.00 3.45 H new ATOM 0 HH22 ARG A 78 16.685 -7.735 7.716 1.00 3.45 H new ATOM 1023 N GLY A 79 16.400 0.219 2.295 1.00 0.66 N ATOM 1024 CA GLY A 79 16.361 1.502 1.612 1.00 0.72 C ATOM 1025 C GLY A 79 17.270 1.529 0.433 1.00 0.64 C ATOM 1026 O GLY A 79 16.831 1.683 -0.687 1.00 0.76 O ATOM 0 H GLY A 79 15.638 -0.416 2.057 1.00 0.66 H new ATOM 0 HA2 GLY A 79 15.341 1.711 1.289 1.00 0.72 H new ATOM 0 HA3 GLY A 79 16.644 2.293 2.307 1.00 0.72 H new ATOM 1030 N SER A 80 18.532 1.353 0.683 1.00 0.62 N ATOM 1031 CA SER A 80 19.508 1.298 -0.368 1.00 0.79 C ATOM 1032 C SER A 80 19.455 -0.053 -1.127 1.00 0.77 C ATOM 1033 O SER A 80 20.242 -0.288 -2.046 1.00 1.04 O ATOM 1034 CB SER A 80 20.897 1.566 0.227 1.00 0.94 C ATOM 1035 OG SER A 80 21.175 0.687 1.310 1.00 1.64 O ATOM 0 H SER A 80 18.917 1.243 1.621 1.00 0.62 H new ATOM 0 HA SER A 80 19.285 2.069 -1.106 1.00 0.79 H new ATOM 0 HB2 SER A 80 21.656 1.445 -0.546 1.00 0.94 H new ATOM 0 HB3 SER A 80 20.954 2.599 0.570 1.00 0.94 H new ATOM 0 HG SER A 80 22.067 0.880 1.667 1.00 1.64 H new ATOM 1041 N ASP A 81 18.520 -0.927 -0.738 1.00 0.61 N ATOM 1042 CA ASP A 81 18.408 -2.230 -1.365 1.00 0.76 C ATOM 1043 C ASP A 81 17.120 -2.323 -2.209 1.00 0.58 C ATOM 1044 O ASP A 81 16.769 -3.384 -2.710 1.00 0.63 O ATOM 1045 CB ASP A 81 18.462 -3.379 -0.310 1.00 0.99 C ATOM 1046 CG ASP A 81 17.154 -3.662 0.435 1.00 1.58 C ATOM 1047 OD1 ASP A 81 16.594 -2.690 1.014 1.00 1.92 O ATOM 1048 OD2 ASP A 81 16.677 -4.813 0.435 1.00 2.00 O ATOM 0 H ASP A 81 17.840 -0.750 0.002 1.00 0.61 H new ATOM 0 HA ASP A 81 19.264 -2.351 -2.029 1.00 0.76 H new ATOM 0 HB2 ASP A 81 18.777 -4.294 -0.812 1.00 0.99 H new ATOM 0 HB3 ASP A 81 19.231 -3.137 0.424 1.00 0.99 H new ATOM 1053 N ILE A 82 16.434 -1.219 -2.391 1.00 0.49 N ATOM 1054 CA ILE A 82 15.230 -1.242 -3.200 1.00 0.42 C ATOM 1055 C ILE A 82 15.556 -0.906 -4.648 1.00 0.38 C ATOM 1056 O ILE A 82 16.509 -0.183 -4.920 1.00 0.47 O ATOM 1057 CB ILE A 82 14.139 -0.284 -2.666 1.00 0.49 C ATOM 1058 CG1 ILE A 82 14.620 1.178 -2.708 1.00 0.96 C ATOM 1059 CG2 ILE A 82 13.724 -0.691 -1.240 1.00 0.89 C ATOM 1060 CD1 ILE A 82 13.605 2.195 -2.217 1.00 1.70 C ATOM 0 H ILE A 82 16.679 -0.309 -2.000 1.00 0.49 H new ATOM 0 HA ILE A 82 14.829 -2.254 -3.142 1.00 0.42 H new ATOM 0 HB ILE A 82 13.265 -0.361 -3.313 1.00 0.49 H new ATOM 0 HG12 ILE A 82 15.523 1.266 -2.105 1.00 0.96 H new ATOM 0 HG13 ILE A 82 14.896 1.426 -3.733 1.00 0.96 H new ATOM 0 HG21 ILE A 82 12.956 -0.009 -0.876 1.00 0.89 H new ATOM 0 HG22 ILE A 82 13.331 -1.707 -1.252 1.00 0.89 H new ATOM 0 HG23 ILE A 82 14.591 -0.645 -0.582 1.00 0.89 H new ATOM 0 HD11 ILE A 82 14.032 3.196 -2.283 1.00 1.70 H new ATOM 0 HD12 ILE A 82 12.708 2.141 -2.834 1.00 1.70 H new ATOM 0 HD13 ILE A 82 13.346 1.979 -1.181 1.00 1.70 H new ATOM 1072 N LYS A 83 14.799 -1.465 -5.577 1.00 0.34 N ATOM 1073 CA LYS A 83 15.018 -1.177 -6.991 1.00 0.36 C ATOM 1074 C LYS A 83 13.954 -0.216 -7.551 1.00 0.38 C ATOM 1075 O LYS A 83 14.284 0.752 -8.226 1.00 0.58 O ATOM 1076 CB LYS A 83 15.080 -2.474 -7.816 1.00 0.50 C ATOM 1077 CG LYS A 83 16.215 -3.429 -7.423 1.00 0.86 C ATOM 1078 CD LYS A 83 17.604 -2.792 -7.612 1.00 0.97 C ATOM 1079 CE LYS A 83 18.726 -3.752 -7.200 1.00 1.01 C ATOM 1080 NZ LYS A 83 20.075 -3.181 -7.413 1.00 1.59 N ATOM 0 H LYS A 83 14.035 -2.114 -5.385 1.00 0.34 H new ATOM 0 HA LYS A 83 15.983 -0.676 -7.074 1.00 0.36 H new ATOM 0 HB2 LYS A 83 14.130 -2.999 -7.715 1.00 0.50 H new ATOM 0 HB3 LYS A 83 15.190 -2.214 -8.869 1.00 0.50 H new ATOM 0 HG2 LYS A 83 16.093 -3.727 -6.382 1.00 0.86 H new ATOM 0 HG3 LYS A 83 16.149 -4.336 -8.024 1.00 0.86 H new ATOM 0 HD2 LYS A 83 17.735 -2.505 -8.656 1.00 0.97 H new ATOM 0 HD3 LYS A 83 17.670 -1.879 -7.020 1.00 0.97 H new ATOM 0 HE2 LYS A 83 18.608 -4.012 -6.148 1.00 1.01 H new ATOM 0 HE3 LYS A 83 18.634 -4.677 -7.769 1.00 1.01 H new ATOM 0 HZ1 LYS A 83 20.795 -3.871 -7.118 1.00 1.59 H new ATOM 0 HZ2 LYS A 83 20.202 -2.957 -8.421 1.00 1.59 H new ATOM 0 HZ3 LYS A 83 20.177 -2.313 -6.850 1.00 1.59 H new ATOM 1094 N ASP A 84 12.687 -0.480 -7.261 1.00 0.34 N ATOM 1095 CA ASP A 84 11.584 0.363 -7.763 1.00 0.44 C ATOM 1096 C ASP A 84 10.665 0.762 -6.645 1.00 0.48 C ATOM 1097 O ASP A 84 10.469 0.006 -5.720 1.00 0.78 O ATOM 1098 CB ASP A 84 10.746 -0.364 -8.839 1.00 0.77 C ATOM 1099 CG ASP A 84 11.471 -0.644 -10.125 1.00 1.37 C ATOM 1100 OD1 ASP A 84 12.152 -1.690 -10.211 1.00 2.22 O ATOM 1101 OD2 ASP A 84 11.411 0.184 -11.045 1.00 1.49 O ATOM 0 H ASP A 84 12.387 -1.266 -6.684 1.00 0.34 H new ATOM 0 HA ASP A 84 12.047 1.245 -8.205 1.00 0.44 H new ATOM 0 HB2 ASP A 84 10.392 -1.308 -8.426 1.00 0.77 H new ATOM 0 HB3 ASP A 84 9.864 0.238 -9.060 1.00 0.77 H new ATOM 1106 N LEU A 85 10.109 1.946 -6.731 1.00 0.48 N ATOM 1107 CA LEU A 85 9.161 2.456 -5.747 1.00 0.72 C ATOM 1108 C LEU A 85 8.240 3.410 -6.470 1.00 0.61 C ATOM 1109 O LEU A 85 8.661 4.470 -6.934 1.00 0.86 O ATOM 1110 CB LEU A 85 9.918 3.171 -4.579 1.00 1.47 C ATOM 1111 CG LEU A 85 9.105 3.565 -3.303 1.00 2.12 C ATOM 1112 CD1 LEU A 85 10.049 4.045 -2.224 1.00 2.79 C ATOM 1113 CD2 LEU A 85 8.078 4.651 -3.582 1.00 2.86 C ATOM 0 H LEU A 85 10.299 2.597 -7.493 1.00 0.48 H new ATOM 0 HA LEU A 85 8.586 1.645 -5.300 1.00 0.72 H new ATOM 0 HB2 LEU A 85 10.736 2.522 -4.265 1.00 1.47 H new ATOM 0 HB3 LEU A 85 10.368 4.079 -4.981 1.00 1.47 H new ATOM 0 HG LEU A 85 8.569 2.674 -2.976 1.00 2.12 H new ATOM 0 HD11 LEU A 85 9.478 4.319 -1.337 1.00 2.79 H new ATOM 0 HD12 LEU A 85 10.750 3.249 -1.973 1.00 2.79 H new ATOM 0 HD13 LEU A 85 10.600 4.914 -2.583 1.00 2.79 H new ATOM 0 HD21 LEU A 85 7.541 4.888 -2.664 1.00 2.86 H new ATOM 0 HD22 LEU A 85 8.584 5.545 -3.948 1.00 2.86 H new ATOM 0 HD23 LEU A 85 7.372 4.300 -4.335 1.00 2.86 H new ATOM 1125 N THR A 86 7.016 3.024 -6.608 1.00 0.61 N ATOM 1126 CA THR A 86 6.054 3.843 -7.259 1.00 0.83 C ATOM 1127 C THR A 86 5.127 4.450 -6.211 1.00 0.83 C ATOM 1128 O THR A 86 4.338 3.736 -5.572 1.00 0.91 O ATOM 1129 CB THR A 86 5.234 3.017 -8.274 1.00 1.18 C ATOM 1130 OG1 THR A 86 6.131 2.303 -9.148 1.00 1.88 O ATOM 1131 CG2 THR A 86 4.352 3.926 -9.118 1.00 1.64 C ATOM 0 H THR A 86 6.656 2.131 -6.272 1.00 0.61 H new ATOM 0 HA THR A 86 6.568 4.636 -7.802 1.00 0.83 H new ATOM 0 HB THR A 86 4.605 2.319 -7.722 1.00 1.18 H new ATOM 0 HG1 THR A 86 5.611 1.777 -9.791 1.00 1.88 H new ATOM 0 HG21 THR A 86 3.783 3.325 -9.827 1.00 1.64 H new ATOM 0 HG22 THR A 86 3.665 4.470 -8.470 1.00 1.64 H new ATOM 0 HG23 THR A 86 4.976 4.635 -9.663 1.00 1.64 H new ATOM 1139 N VAL A 87 5.261 5.746 -5.995 1.00 1.10 N ATOM 1140 CA VAL A 87 4.418 6.446 -5.055 1.00 1.29 C ATOM 1141 C VAL A 87 3.186 7.037 -5.769 1.00 1.44 C ATOM 1142 O VAL A 87 3.281 8.024 -6.507 1.00 1.74 O ATOM 1143 CB VAL A 87 5.202 7.539 -4.226 1.00 1.88 C ATOM 1144 CG1 VAL A 87 5.889 8.576 -5.117 1.00 2.70 C ATOM 1145 CG2 VAL A 87 4.284 8.218 -3.215 1.00 2.21 C ATOM 0 H VAL A 87 5.951 6.334 -6.463 1.00 1.10 H new ATOM 0 HA VAL A 87 4.070 5.715 -4.325 1.00 1.29 H new ATOM 0 HB VAL A 87 5.991 7.015 -3.686 1.00 1.88 H new ATOM 0 HG11 VAL A 87 6.412 9.302 -4.494 1.00 2.70 H new ATOM 0 HG12 VAL A 87 6.604 8.077 -5.771 1.00 2.70 H new ATOM 0 HG13 VAL A 87 5.141 9.089 -5.721 1.00 2.70 H new ATOM 0 HG21 VAL A 87 4.847 8.966 -2.657 1.00 2.21 H new ATOM 0 HG22 VAL A 87 3.460 8.701 -3.739 1.00 2.21 H new ATOM 0 HG23 VAL A 87 3.888 7.473 -2.525 1.00 2.21 H new ATOM 1155 N CYS A 88 2.050 6.399 -5.587 1.00 1.53 N ATOM 1156 CA CYS A 88 0.829 6.859 -6.201 1.00 1.91 C ATOM 1157 C CYS A 88 -0.396 6.557 -5.348 1.00 1.83 C ATOM 1158 O CYS A 88 -0.921 5.445 -5.339 1.00 2.53 O ATOM 1159 CB CYS A 88 0.694 6.303 -7.626 1.00 2.71 C ATOM 1160 SG CYS A 88 0.849 4.492 -7.733 1.00 3.39 S ATOM 0 H CYS A 88 1.949 5.559 -5.017 1.00 1.53 H new ATOM 0 HA CYS A 88 0.885 7.945 -6.273 1.00 1.91 H new ATOM 0 HB2 CYS A 88 -0.274 6.599 -8.030 1.00 2.71 H new ATOM 0 HB3 CYS A 88 1.456 6.760 -8.257 1.00 2.71 H new ATOM 0 HG CYS A 88 0.195 3.942 -6.754 1.00 3.39 H new ATOM 1166 N GLU A 89 -0.809 7.546 -4.602 1.00 1.89 N ATOM 1167 CA GLU A 89 -1.971 7.454 -3.760 1.00 2.59 C ATOM 1168 C GLU A 89 -3.116 8.279 -4.350 1.00 3.36 C ATOM 1169 O GLU A 89 -2.866 9.253 -5.080 1.00 3.69 O ATOM 1170 CB GLU A 89 -1.634 7.901 -2.316 1.00 3.16 C ATOM 1171 CG GLU A 89 -0.891 9.238 -2.226 1.00 3.65 C ATOM 1172 CD GLU A 89 -0.620 9.676 -0.796 1.00 4.56 C ATOM 1173 OE1 GLU A 89 0.148 8.984 -0.099 1.00 5.07 O ATOM 1174 OE2 GLU A 89 -1.158 10.714 -0.368 1.00 5.04 O ATOM 0 H GLU A 89 -0.341 8.451 -4.562 1.00 1.89 H new ATOM 0 HA GLU A 89 -2.294 6.414 -3.715 1.00 2.59 H new ATOM 0 HB2 GLU A 89 -2.560 7.974 -1.746 1.00 3.16 H new ATOM 0 HB3 GLU A 89 -1.028 7.129 -1.842 1.00 3.16 H new ATOM 0 HG2 GLU A 89 0.056 9.157 -2.760 1.00 3.65 H new ATOM 0 HG3 GLU A 89 -1.477 10.007 -2.730 1.00 3.65 H new ATOM 1181 N PRO A 90 -4.381 7.863 -4.113 1.00 4.20 N ATOM 1182 CA PRO A 90 -5.547 8.594 -4.567 1.00 5.33 C ATOM 1183 C PRO A 90 -6.025 9.633 -3.523 1.00 5.94 C ATOM 1184 O PRO A 90 -6.540 9.280 -2.438 1.00 6.31 O ATOM 1185 CB PRO A 90 -6.599 7.492 -4.755 1.00 6.12 C ATOM 1186 CG PRO A 90 -6.219 6.413 -3.777 1.00 5.67 C ATOM 1187 CD PRO A 90 -4.760 6.631 -3.393 1.00 4.55 C ATOM 0 HA PRO A 90 -5.349 9.170 -5.471 1.00 5.33 H new ATOM 0 HB2 PRO A 90 -7.603 7.868 -4.556 1.00 6.12 H new ATOM 0 HB3 PRO A 90 -6.596 7.115 -5.778 1.00 6.12 H new ATOM 0 HG2 PRO A 90 -6.857 6.454 -2.894 1.00 5.67 H new ATOM 0 HG3 PRO A 90 -6.354 5.427 -4.223 1.00 5.67 H new ATOM 0 HD2 PRO A 90 -4.644 6.747 -2.315 1.00 4.55 H new ATOM 0 HD3 PRO A 90 -4.138 5.787 -3.692 1.00 4.55 H new ATOM 1195 N PRO A 91 -5.823 10.923 -3.805 1.00 6.36 N ATOM 1196 CA PRO A 91 -6.224 11.975 -2.910 1.00 7.26 C ATOM 1197 C PRO A 91 -7.644 12.472 -3.181 1.00 8.19 C ATOM 1198 O PRO A 91 -8.104 12.514 -4.331 1.00 8.59 O ATOM 1199 CB PRO A 91 -5.203 13.075 -3.200 1.00 7.68 C ATOM 1200 CG PRO A 91 -4.804 12.884 -4.633 1.00 7.18 C ATOM 1201 CD PRO A 91 -5.168 11.454 -5.013 1.00 6.33 C ATOM 0 HA PRO A 91 -6.243 11.646 -1.871 1.00 7.26 H new ATOM 0 HB2 PRO A 91 -5.635 14.063 -3.041 1.00 7.68 H new ATOM 0 HB3 PRO A 91 -4.341 12.994 -2.538 1.00 7.68 H new ATOM 0 HG2 PRO A 91 -5.321 13.597 -5.275 1.00 7.18 H new ATOM 0 HG3 PRO A 91 -3.735 13.057 -4.762 1.00 7.18 H new ATOM 0 HD2 PRO A 91 -5.836 11.427 -5.874 1.00 6.33 H new ATOM 0 HD3 PRO A 91 -4.284 10.873 -5.276 1.00 6.33 H new ATOM 1209 N LYS A 92 -8.332 12.835 -2.118 1.00 8.73 N ATOM 1210 CA LYS A 92 -9.655 13.374 -2.213 1.00 9.77 C ATOM 1211 C LYS A 92 -9.673 14.594 -1.279 1.00 10.34 C ATOM 1212 O LYS A 92 -9.843 14.450 -0.074 1.00 10.73 O ATOM 1213 CB LYS A 92 -10.679 12.298 -1.761 1.00 10.41 C ATOM 1214 CG LYS A 92 -12.122 12.440 -2.288 1.00 10.86 C ATOM 1215 CD LYS A 92 -12.809 13.734 -1.903 1.00 11.51 C ATOM 1216 CE LYS A 92 -14.259 13.741 -2.385 1.00 12.15 C ATOM 1217 NZ LYS A 92 -14.376 13.529 -3.843 1.00 12.69 N ATOM 0 H LYS A 92 -7.979 12.760 -1.164 1.00 8.73 H new ATOM 0 HA LYS A 92 -9.921 13.664 -3.229 1.00 9.77 H new ATOM 0 HB2 LYS A 92 -10.302 11.322 -2.066 1.00 10.41 H new ATOM 0 HB3 LYS A 92 -10.714 12.300 -0.672 1.00 10.41 H new ATOM 0 HG2 LYS A 92 -12.107 12.361 -3.375 1.00 10.86 H new ATOM 0 HG3 LYS A 92 -12.715 11.604 -1.916 1.00 10.86 H new ATOM 0 HD2 LYS A 92 -12.780 13.859 -0.821 1.00 11.51 H new ATOM 0 HD3 LYS A 92 -12.273 14.579 -2.336 1.00 11.51 H new ATOM 0 HE2 LYS A 92 -14.815 12.962 -1.863 1.00 12.15 H new ATOM 0 HE3 LYS A 92 -14.720 14.693 -2.122 1.00 12.15 H new ATOM 0 HZ1 LYS A 92 -15.222 14.018 -4.198 1.00 12.69 H new ATOM 0 HZ2 LYS A 92 -13.532 13.908 -4.318 1.00 12.69 H new ATOM 0 HZ3 LYS A 92 -14.456 12.511 -4.040 1.00 12.69 H new ATOM 1231 N PRO A 93 -9.415 15.804 -1.817 1.00 10.61 N ATOM 1232 CA PRO A 93 -9.301 16.999 -0.992 1.00 11.40 C ATOM 1233 C PRO A 93 -10.641 17.561 -0.569 1.00 12.54 C ATOM 1234 O PRO A 93 -10.869 17.817 0.611 1.00 13.22 O ATOM 1235 CB PRO A 93 -8.531 17.990 -1.873 1.00 11.51 C ATOM 1236 CG PRO A 93 -8.685 17.499 -3.290 1.00 10.88 C ATOM 1237 CD PRO A 93 -9.211 16.085 -3.248 1.00 10.42 C ATOM 0 HA PRO A 93 -8.796 16.783 -0.050 1.00 11.40 H new ATOM 0 HB2 PRO A 93 -8.930 18.999 -1.765 1.00 11.51 H new ATOM 0 HB3 PRO A 93 -7.480 18.030 -1.587 1.00 11.51 H new ATOM 0 HG2 PRO A 93 -9.370 18.142 -3.842 1.00 10.88 H new ATOM 0 HG3 PRO A 93 -7.727 17.532 -3.809 1.00 10.88 H new ATOM 0 HD2 PRO A 93 -10.143 15.992 -3.806 1.00 10.42 H new ATOM 0 HD3 PRO A 93 -8.502 15.386 -3.692 1.00 10.42 H new ATOM 1245 N ILE A 94 -11.506 17.765 -1.535 1.00 12.89 N ATOM 1246 CA ILE A 94 -12.861 18.271 -1.320 1.00 14.03 C ATOM 1247 C ILE A 94 -13.736 17.622 -2.357 1.00 14.23 C ATOM 1248 O ILE A 94 -14.683 16.913 -2.048 1.00 14.51 O ATOM 1249 CB ILE A 94 -12.954 19.832 -1.493 1.00 14.82 C ATOM 1250 CG1 ILE A 94 -12.036 20.572 -0.490 1.00 14.80 C ATOM 1251 CG2 ILE A 94 -14.410 20.308 -1.331 1.00 15.27 C ATOM 1252 CD1 ILE A 94 -12.053 22.086 -0.632 1.00 15.38 C ATOM 0 H ILE A 94 -11.293 17.583 -2.516 1.00 12.89 H new ATOM 0 HA ILE A 94 -13.169 18.040 -0.300 1.00 14.03 H new ATOM 0 HB ILE A 94 -12.612 20.071 -2.500 1.00 14.82 H new ATOM 0 HG12 ILE A 94 -12.338 20.310 0.524 1.00 14.80 H new ATOM 0 HG13 ILE A 94 -11.014 20.217 -0.620 1.00 14.80 H new ATOM 0 HG21 ILE A 94 -14.455 21.390 -1.454 1.00 15.27 H new ATOM 0 HG22 ILE A 94 -15.035 19.831 -2.086 1.00 15.27 H new ATOM 0 HG23 ILE A 94 -14.772 20.040 -0.338 1.00 15.27 H new ATOM 0 HD11 ILE A 94 -11.384 22.528 0.106 1.00 15.38 H new ATOM 0 HD12 ILE A 94 -11.721 22.361 -1.633 1.00 15.38 H new ATOM 0 HD13 ILE A 94 -13.066 22.455 -0.471 1.00 15.38 H new ATOM 1264 N MET A 95 -13.368 17.845 -3.599 1.00 14.23 N ATOM 1265 CA MET A 95 -14.028 17.261 -4.729 1.00 14.59 C ATOM 1266 C MET A 95 -13.015 16.435 -5.475 1.00 14.93 C ATOM 1267 O MET A 95 -12.953 15.220 -5.215 1.00 15.26 O ATOM 1268 CB MET A 95 -14.642 18.338 -5.649 1.00 14.98 C ATOM 1269 CG MET A 95 -15.769 19.143 -5.009 1.00 15.22 C ATOM 1270 SD MET A 95 -17.164 18.106 -4.525 1.00 15.95 S ATOM 1271 CE MET A 95 -18.258 19.316 -3.770 1.00 16.63 C ATOM 1272 OXT MET A 95 -12.246 17.015 -6.257 1.00 15.00 O ATOM 0 H MET A 95 -12.586 18.450 -3.849 1.00 14.23 H new ATOM 0 HA MET A 95 -14.854 16.637 -4.389 1.00 14.59 H new ATOM 0 HB2 MET A 95 -13.854 19.023 -5.962 1.00 14.98 H new ATOM 0 HB3 MET A 95 -15.022 17.856 -6.550 1.00 14.98 H new ATOM 0 HG2 MET A 95 -15.386 19.665 -4.132 1.00 15.22 H new ATOM 0 HG3 MET A 95 -16.111 19.905 -5.710 1.00 15.22 H new ATOM 0 HE1 MET A 95 -19.164 18.820 -3.423 1.00 16.63 H new ATOM 0 HE2 MET A 95 -17.754 19.785 -2.925 1.00 16.63 H new ATOM 0 HE3 MET A 95 -18.520 20.078 -4.504 1.00 16.63 H new TER 1282 MET A 95