USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 664 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 Single : A 8 GLN : amide:sc= 0.109 K(o=0.11,f=-3.4!) USER MOD Single : A 22 THR OG1 : rot 31:sc= 0.375 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 94:sc= 1.08 USER MOD Single : A 35 SER OG : rot 83:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0591) USER MOD Single : A 43 MET CE :methyl 173:sc= 0 (180deg=-0.123) USER MOD Single : A 44 SER OG : rot -72:sc= 0.51 USER MOD Single : B 8 GLN : amide:sc= 0.0304 K(o=0.03,f=-2.3!) USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ -150:sc= 1.25 (180deg=0.98) USER MOD Single : B 27 SER OG : rot 180:sc= 0.0126 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 75:sc= 1.16 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0841) USER MOD Single : B 43 MET CE :methyl 176:sc= 0 (180deg=-0.0223) USER MOD Single : B 44 SER OG : rot -71:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 62 N ILE B 6 1.584 -13.712 3.121 1.00 0.84 N ATOM 63 CA ILE B 6 1.804 -12.649 4.095 1.00 0.73 C ATOM 64 C ILE B 6 3.104 -12.869 4.867 1.00 0.65 C ATOM 65 O ILE B 6 3.693 -11.923 5.389 1.00 0.58 O ATOM 66 CB ILE B 6 0.623 -12.562 5.090 1.00 0.78 C ATOM 67 CG1 ILE B 6 -0.711 -12.525 4.339 1.00 0.90 C ATOM 68 CG2 ILE B 6 0.759 -11.339 5.988 1.00 0.74 C ATOM 69 CD1 ILE B 6 -0.874 -11.319 3.441 1.00 0.92 C ATOM 0 HA ILE B 6 1.877 -11.712 3.543 1.00 0.73 H new ATOM 0 HB ILE B 6 0.644 -13.452 5.719 1.00 0.78 H new ATOM 0 HG12 ILE B 6 -0.804 -13.429 3.737 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -1.525 -12.539 5.063 1.00 0.90 H new ATOM 0 HG21 ILE B 6 -0.083 -11.299 6.679 1.00 0.74 H new ATOM 0 HG22 ILE B 6 1.689 -11.404 6.553 1.00 0.74 H new ATOM 0 HG23 ILE B 6 0.769 -10.437 5.376 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -1.843 -11.364 2.944 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -0.815 -10.410 4.039 1.00 0.92 H new ATOM 0 HD13 ILE B 6 -0.082 -11.313 2.692 1.00 0.92 H new ATOM 81 N TRP B 7 3.556 -14.119 4.905 1.00 0.70 N ATOM 82 CA TRP B 7 4.777 -14.480 5.617 1.00 0.69 C ATOM 83 C TRP B 7 5.978 -13.688 5.104 1.00 0.57 C ATOM 84 O TRP B 7 6.535 -12.857 5.821 1.00 0.50 O ATOM 85 CB TRP B 7 5.043 -15.980 5.484 1.00 0.80 C ATOM 86 CG TRP B 7 5.629 -16.581 6.723 1.00 0.75 C ATOM 87 CD1 TRP B 7 4.946 -17.008 7.825 1.00 0.81 C ATOM 88 CD2 TRP B 7 7.014 -16.816 6.991 1.00 0.80 C ATOM 89 NE1 TRP B 7 5.820 -17.492 8.763 1.00 0.86 N ATOM 90 CE2 TRP B 7 7.097 -17.387 8.277 1.00 0.85 C ATOM 91 CE3 TRP B 7 8.192 -16.604 6.271 1.00 0.96 C ATOM 92 CZ2 TRP B 7 8.312 -17.747 8.855 1.00 1.00 C ATOM 93 CZ3 TRP B 7 9.397 -16.956 6.847 1.00 1.14 C ATOM 94 CH2 TRP B 7 9.451 -17.523 8.129 1.00 1.14 C ATOM 0 H TRP B 7 3.091 -14.903 4.448 1.00 0.70 H new ATOM 0 HA TRP B 7 4.635 -14.232 6.669 1.00 0.69 H new ATOM 0 HB2 TRP B 7 4.109 -16.489 5.246 1.00 0.80 H new ATOM 0 HB3 TRP B 7 5.721 -16.151 4.648 1.00 0.80 H new ATOM 0 HD1 TRP B 7 3.873 -16.970 7.941 1.00 0.81 H new ATOM 0 HE1 TRP B 7 5.562 -17.869 9.675 1.00 0.86 H new ATOM 0 HE3 TRP B 7 8.161 -16.172 5.281 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 8.354 -18.187 9.840 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 10.314 -16.792 6.301 1.00 1.14 H new ATOM 0 HH2 TRP B 7 10.409 -17.788 8.551 1.00 1.14 H new ATOM 105 N GLN B 8 6.366 -13.939 3.858 1.00 0.58 N ATOM 106 CA GLN B 8 7.504 -13.248 3.262 1.00 0.51 C ATOM 107 C GLN B 8 7.194 -11.767 3.064 1.00 0.41 C ATOM 108 O GLN B 8 8.096 -10.930 3.069 1.00 0.38 O ATOM 109 CB GLN B 8 7.889 -13.895 1.931 1.00 0.58 C ATOM 110 CG GLN B 8 8.193 -15.382 2.047 1.00 0.83 C ATOM 111 CD GLN B 8 7.152 -16.239 1.358 1.00 1.13 C ATOM 112 OE1 GLN B 8 6.081 -16.481 1.903 1.00 1.57 O ATOM 113 NE2 GLN B 8 7.465 -16.717 0.163 1.00 1.28 N ATOM 0 H GLN B 8 5.911 -14.614 3.243 1.00 0.58 H new ATOM 0 HA GLN B 8 8.349 -13.333 3.945 1.00 0.51 H new ATOM 0 HB2 GLN B 8 7.077 -13.752 1.218 1.00 0.58 H new ATOM 0 HB3 GLN B 8 8.762 -13.384 1.526 1.00 0.58 H new ATOM 0 HG2 GLN B 8 9.172 -15.585 1.613 1.00 0.83 H new ATOM 0 HG3 GLN B 8 8.248 -15.658 3.100 1.00 0.83 H new ATOM 0 HE21 GLN B 8 8.367 -16.492 -0.256 1.00 1.28 H new ATOM 0 HE22 GLN B 8 6.804 -17.310 -0.338 1.00 1.28 H new ATOM 122 N LEU B 9 5.910 -11.455 2.900 1.00 0.43 N ATOM 123 CA LEU B 9 5.464 -10.074 2.722 1.00 0.41 C ATOM 124 C LEU B 9 5.888 -9.238 3.929 1.00 0.37 C ATOM 125 O LEU B 9 6.360 -8.108 3.789 1.00 0.37 O ATOM 126 CB LEU B 9 3.938 -10.035 2.562 1.00 0.52 C ATOM 127 CG LEU B 9 3.403 -9.485 1.230 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.498 -7.966 1.180 1.00 0.61 C ATOM 129 CD2 LEU B 9 4.142 -10.110 0.054 1.00 0.59 C ATOM 0 H LEU B 9 5.157 -12.143 2.887 1.00 0.43 H new ATOM 0 HA LEU B 9 5.922 -9.660 1.824 1.00 0.41 H new ATOM 0 HB2 LEU B 9 3.555 -11.047 2.692 1.00 0.52 H new ATOM 0 HB3 LEU B 9 3.525 -9.432 3.371 1.00 0.52 H new ATOM 0 HG LEU B 9 2.349 -9.755 1.158 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.112 -7.609 0.225 1.00 0.61 H new ATOM 0 HD12 LEU B 9 2.911 -7.538 1.992 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.540 -7.663 1.286 1.00 0.61 H new ATOM 0 HD21 LEU B 9 3.748 -9.707 -0.879 1.00 0.59 H new ATOM 0 HD22 LEU B 9 5.205 -9.880 0.128 1.00 0.59 H new ATOM 0 HD23 LEU B 9 4.003 -11.191 0.070 1.00 0.59 H new ATOM 141 N LEU B 10 5.721 -9.821 5.112 1.00 0.39 N ATOM 142 CA LEU B 10 6.088 -9.169 6.364 1.00 0.38 C ATOM 143 C LEU B 10 7.600 -8.956 6.437 1.00 0.35 C ATOM 144 O LEU B 10 8.068 -7.884 6.812 1.00 0.34 O ATOM 145 CB LEU B 10 5.642 -10.036 7.549 1.00 0.39 C ATOM 146 CG LEU B 10 4.803 -9.336 8.627 1.00 0.43 C ATOM 147 CD1 LEU B 10 4.822 -10.147 9.914 1.00 0.49 C ATOM 148 CD2 LEU B 10 5.307 -7.923 8.885 1.00 0.42 C ATOM 0 H LEU B 10 5.329 -10.755 5.230 1.00 0.39 H new ATOM 0 HA LEU B 10 5.592 -8.200 6.407 1.00 0.38 H new ATOM 0 HB2 LEU B 10 5.067 -10.877 7.160 1.00 0.39 H new ATOM 0 HB3 LEU B 10 6.532 -10.450 8.023 1.00 0.39 H new ATOM 0 HG LEU B 10 3.777 -9.266 8.266 1.00 0.43 H new ATOM 0 HD11 LEU B 10 4.224 -9.641 10.672 1.00 0.49 H new ATOM 0 HD12 LEU B 10 4.408 -11.137 9.726 1.00 0.49 H new ATOM 0 HD13 LEU B 10 5.848 -10.244 10.268 1.00 0.49 H new ATOM 0 HD21 LEU B 10 4.693 -7.452 9.653 1.00 0.42 H new ATOM 0 HD22 LEU B 10 6.343 -7.962 9.222 1.00 0.42 H new ATOM 0 HD23 LEU B 10 5.246 -7.341 7.965 1.00 0.42 H new ATOM 160 N ILE B 11 8.347 -9.986 6.060 1.00 0.35 N ATOM 161 CA ILE B 11 9.809 -9.952 6.095 1.00 0.35 C ATOM 162 C ILE B 11 10.387 -8.746 5.345 1.00 0.31 C ATOM 163 O ILE B 11 11.198 -8.003 5.895 1.00 0.37 O ATOM 164 CB ILE B 11 10.415 -11.276 5.538 1.00 0.39 C ATOM 165 CG1 ILE B 11 10.630 -12.278 6.674 1.00 0.74 C ATOM 166 CG2 ILE B 11 11.731 -11.041 4.803 1.00 0.46 C ATOM 167 CD1 ILE B 11 9.362 -12.945 7.153 1.00 1.04 C ATOM 0 H ILE B 11 7.961 -10.867 5.722 1.00 0.35 H new ATOM 0 HA ILE B 11 10.090 -9.848 7.143 1.00 0.35 H new ATOM 0 HB ILE B 11 9.701 -11.681 4.820 1.00 0.39 H new ATOM 0 HG12 ILE B 11 11.328 -13.045 6.340 1.00 0.74 H new ATOM 0 HG13 ILE B 11 11.098 -11.765 7.514 1.00 0.74 H new ATOM 0 HG21 ILE B 11 12.116 -11.991 4.433 1.00 0.46 H new ATOM 0 HG22 ILE B 11 11.564 -10.366 3.964 1.00 0.46 H new ATOM 0 HG23 ILE B 11 12.455 -10.598 5.486 1.00 0.46 H new ATOM 0 HD11 ILE B 11 9.599 -13.640 7.958 1.00 1.04 H new ATOM 0 HD12 ILE B 11 8.669 -12.188 7.519 1.00 1.04 H new ATOM 0 HD13 ILE B 11 8.903 -13.489 6.327 1.00 1.04 H new ATOM 179 N ILE B 12 9.948 -8.532 4.110 1.00 0.25 N ATOM 180 CA ILE B 12 10.468 -7.431 3.304 1.00 0.23 C ATOM 181 C ILE B 12 9.946 -6.081 3.787 1.00 0.23 C ATOM 182 O ILE B 12 10.696 -5.104 3.847 1.00 0.21 O ATOM 183 CB ILE B 12 10.123 -7.593 1.809 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.087 -9.063 1.413 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.149 -6.866 0.960 1.00 0.26 C ATOM 186 CD1 ILE B 12 9.368 -9.319 0.108 1.00 0.32 C ATOM 0 H ILE B 12 9.239 -9.101 3.647 1.00 0.25 H new ATOM 0 HA ILE B 12 11.551 -7.461 3.422 1.00 0.23 H new ATOM 0 HB ILE B 12 9.135 -7.163 1.641 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.109 -9.435 1.335 1.00 0.27 H new ATOM 0 HG13 ILE B 12 9.600 -9.632 2.205 1.00 0.27 H new ATOM 0 HG21 ILE B 12 10.899 -6.985 -0.094 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.148 -5.806 1.216 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.138 -7.284 1.148 1.00 0.26 H new ATOM 0 HD11 ILE B 12 9.381 -10.387 -0.111 1.00 0.32 H new ATOM 0 HD12 ILE B 12 8.336 -8.978 0.188 1.00 0.32 H new ATOM 0 HD13 ILE B 12 9.868 -8.777 -0.695 1.00 0.32 H new ATOM 198 N ALA B 13 8.665 -6.023 4.123 1.00 0.26 N ATOM 199 CA ALA B 13 8.063 -4.784 4.597 1.00 0.28 C ATOM 200 C ALA B 13 8.743 -4.305 5.888 1.00 0.26 C ATOM 201 O ALA B 13 8.953 -3.105 6.079 1.00 0.26 O ATOM 202 CB ALA B 13 6.569 -4.980 4.818 1.00 0.34 C ATOM 0 H ALA B 13 8.025 -6.816 4.077 1.00 0.26 H new ATOM 0 HA ALA B 13 8.207 -4.016 3.837 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.128 -4.048 5.172 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.097 -5.271 3.879 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.411 -5.762 5.561 1.00 0.34 H new ATOM 208 N VAL B 14 9.098 -5.257 6.758 1.00 0.25 N ATOM 209 CA VAL B 14 9.760 -4.948 8.028 1.00 0.25 C ATOM 210 C VAL B 14 11.115 -4.292 7.790 1.00 0.21 C ATOM 211 O VAL B 14 11.440 -3.278 8.410 1.00 0.21 O ATOM 212 CB VAL B 14 9.937 -6.222 8.895 1.00 0.29 C ATOM 213 CG1 VAL B 14 11.065 -6.065 9.909 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.640 -6.554 9.611 1.00 0.36 C ATOM 0 H VAL B 14 8.936 -6.252 6.604 1.00 0.25 H new ATOM 0 HA VAL B 14 9.120 -4.249 8.567 1.00 0.25 H new ATOM 0 HB VAL B 14 10.202 -7.040 8.225 1.00 0.29 H new ATOM 0 HG11 VAL B 14 11.156 -6.979 10.496 1.00 0.28 H new ATOM 0 HG12 VAL B 14 12.002 -5.875 9.385 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.844 -5.228 10.572 1.00 0.28 H new ATOM 0 HG21 VAL B 14 8.778 -7.450 10.216 1.00 0.36 H new ATOM 0 HG22 VAL B 14 8.356 -5.721 10.255 1.00 0.36 H new ATOM 0 HG23 VAL B 14 7.854 -6.729 8.877 1.00 0.36 H new ATOM 224 N ILE B 15 11.892 -4.868 6.878 1.00 0.19 N ATOM 225 CA ILE B 15 13.213 -4.343 6.556 1.00 0.19 C ATOM 226 C ILE B 15 13.099 -2.914 6.031 1.00 0.18 C ATOM 227 O ILE B 15 13.951 -2.066 6.301 1.00 0.22 O ATOM 228 CB ILE B 15 13.935 -5.222 5.509 1.00 0.20 C ATOM 229 CG1 ILE B 15 14.063 -6.657 6.021 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.312 -4.656 5.184 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.566 -7.625 4.973 1.00 0.28 C ATOM 0 H ILE B 15 11.629 -5.699 6.349 1.00 0.19 H new ATOM 0 HA ILE B 15 13.802 -4.351 7.473 1.00 0.19 H new ATOM 0 HB ILE B 15 13.340 -5.224 4.596 1.00 0.20 H new ATOM 0 HG12 ILE B 15 14.741 -6.672 6.874 1.00 0.24 H new ATOM 0 HG13 ILE B 15 13.091 -6.995 6.381 1.00 0.24 H new ATOM 0 HG21 ILE B 15 15.801 -5.291 4.445 1.00 0.23 H new ATOM 0 HG22 ILE B 15 15.206 -3.648 4.783 1.00 0.23 H new ATOM 0 HG23 ILE B 15 15.915 -4.624 6.091 1.00 0.23 H new ATOM 0 HD11 ILE B 15 14.633 -8.624 5.403 1.00 0.28 H new ATOM 0 HD12 ILE B 15 13.876 -7.639 4.129 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.552 -7.310 4.630 1.00 0.28 H new ATOM 243 N VAL B 16 12.018 -2.653 5.307 1.00 0.18 N ATOM 244 CA VAL B 16 11.761 -1.341 4.731 1.00 0.21 C ATOM 245 C VAL B 16 11.655 -0.261 5.809 1.00 0.22 C ATOM 246 O VAL B 16 12.132 0.858 5.620 1.00 0.24 O ATOM 247 CB VAL B 16 10.484 -1.377 3.854 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.708 -0.066 3.879 1.00 0.26 C ATOM 249 CG2 VAL B 16 10.865 -1.740 2.437 1.00 0.28 C ATOM 0 H VAL B 16 11.296 -3.344 5.103 1.00 0.18 H new ATOM 0 HA VAL B 16 12.610 -1.082 4.098 1.00 0.21 H new ATOM 0 HB VAL B 16 9.818 -2.133 4.271 1.00 0.24 H new ATOM 0 HG11 VAL B 16 8.825 -0.154 3.246 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.401 0.156 4.901 1.00 0.26 H new ATOM 0 HG13 VAL B 16 10.342 0.739 3.508 1.00 0.26 H new ATOM 0 HG21 VAL B 16 9.970 -1.767 1.815 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.558 -0.995 2.044 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.342 -2.720 2.428 1.00 0.28 H new ATOM 259 N VAL B 17 11.072 -0.609 6.950 1.00 0.23 N ATOM 260 CA VAL B 17 10.904 0.342 8.045 1.00 0.27 C ATOM 261 C VAL B 17 12.251 0.924 8.486 1.00 0.28 C ATOM 262 O VAL B 17 12.415 2.141 8.555 1.00 0.33 O ATOM 263 CB VAL B 17 10.196 -0.303 9.260 1.00 0.29 C ATOM 264 CG1 VAL B 17 9.806 0.758 10.278 1.00 0.35 C ATOM 265 CG2 VAL B 17 8.971 -1.088 8.813 1.00 0.30 C ATOM 0 H VAL B 17 10.707 -1.542 7.142 1.00 0.23 H new ATOM 0 HA VAL B 17 10.276 1.148 7.667 1.00 0.27 H new ATOM 0 HB VAL B 17 10.893 -0.994 9.733 1.00 0.29 H new ATOM 0 HG11 VAL B 17 9.309 0.285 11.125 1.00 0.35 H new ATOM 0 HG12 VAL B 17 10.700 1.276 10.625 1.00 0.35 H new ATOM 0 HG13 VAL B 17 9.128 1.475 9.815 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.487 -1.534 9.682 1.00 0.30 H new ATOM 0 HG22 VAL B 17 8.272 -0.418 8.313 1.00 0.30 H new ATOM 0 HG23 VAL B 17 9.275 -1.875 8.123 1.00 0.30 H new ATOM 275 N LEU B 18 13.224 0.058 8.743 1.00 0.29 N ATOM 276 CA LEU B 18 14.542 0.508 9.177 1.00 0.32 C ATOM 277 C LEU B 18 15.383 0.973 7.992 1.00 0.33 C ATOM 278 O LEU B 18 16.318 1.755 8.155 1.00 0.44 O ATOM 279 CB LEU B 18 15.272 -0.600 9.942 1.00 0.32 C ATOM 280 CG LEU B 18 15.493 -1.897 9.163 1.00 0.28 C ATOM 281 CD1 LEU B 18 16.964 -2.278 9.160 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.661 -3.024 9.751 1.00 0.24 C ATOM 0 H LEU B 18 13.127 -0.954 8.659 1.00 0.29 H new ATOM 0 HA LEU B 18 14.397 1.356 9.847 1.00 0.32 H new ATOM 0 HB2 LEU B 18 16.241 -0.219 10.263 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.705 -0.830 10.844 1.00 0.32 H new ATOM 0 HG LEU B 18 15.176 -1.731 8.134 1.00 0.28 H new ATOM 0 HD11 LEU B 18 17.099 -3.204 8.600 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.545 -1.483 8.692 1.00 0.33 H new ATOM 0 HD13 LEU B 18 17.305 -2.421 10.185 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.833 -3.938 9.182 1.00 0.24 H new ATOM 0 HD22 LEU B 18 14.948 -3.184 10.790 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.605 -2.760 9.703 1.00 0.24 H new ATOM 294 N LEU B 19 15.038 0.492 6.805 1.00 0.26 N ATOM 295 CA LEU B 19 15.748 0.853 5.582 1.00 0.28 C ATOM 296 C LEU B 19 15.653 2.353 5.325 1.00 0.31 C ATOM 297 O LEU B 19 16.622 2.991 4.914 1.00 0.35 O ATOM 298 CB LEU B 19 15.154 0.090 4.391 1.00 0.24 C ATOM 299 CG LEU B 19 16.156 -0.410 3.346 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.461 -1.268 2.303 1.00 0.22 C ATOM 301 CD2 LEU B 19 16.853 0.756 2.671 1.00 0.28 C ATOM 0 H LEU B 19 14.263 -0.156 6.661 1.00 0.26 H new ATOM 0 HA LEU B 19 16.798 0.585 5.702 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.601 -0.767 4.774 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.433 0.738 3.893 1.00 0.24 H new ATOM 0 HG LEU B 19 16.902 -1.016 3.860 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.191 -1.613 1.570 1.00 0.22 H new ATOM 0 HD12 LEU B 19 15.000 -2.128 2.788 1.00 0.22 H new ATOM 0 HD13 LEU B 19 14.693 -0.680 1.801 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.560 0.379 1.932 1.00 0.28 H new ATOM 0 HD22 LEU B 19 16.113 1.385 2.177 1.00 0.28 H new ATOM 0 HD23 LEU B 19 17.387 1.343 3.418 1.00 0.28 H new ATOM 313 N PHE B 20 14.480 2.911 5.572 1.00 0.32 N ATOM 314 CA PHE B 20 14.252 4.326 5.333 1.00 0.37 C ATOM 315 C PHE B 20 14.016 5.079 6.634 1.00 0.40 C ATOM 316 O PHE B 20 13.608 6.241 6.622 1.00 0.59 O ATOM 317 CB PHE B 20 13.068 4.484 4.380 1.00 0.39 C ATOM 318 CG PHE B 20 13.047 3.409 3.333 1.00 0.34 C ATOM 319 CD1 PHE B 20 14.126 3.227 2.482 1.00 1.05 C ATOM 320 CD2 PHE B 20 11.969 2.552 3.231 1.00 0.96 C ATOM 321 CE1 PHE B 20 14.117 2.212 1.552 1.00 1.02 C ATOM 322 CE2 PHE B 20 11.968 1.531 2.307 1.00 0.97 C ATOM 323 CZ PHE B 20 13.042 1.363 1.467 1.00 0.29 C ATOM 0 H PHE B 20 13.672 2.407 5.937 1.00 0.32 H new ATOM 0 HA PHE B 20 15.143 4.759 4.877 1.00 0.37 H new ATOM 0 HB2 PHE B 20 12.138 4.456 4.948 1.00 0.39 H new ATOM 0 HB3 PHE B 20 13.118 5.460 3.898 1.00 0.39 H new ATOM 0 HD1 PHE B 20 14.979 3.886 2.549 1.00 1.05 H new ATOM 0 HD2 PHE B 20 11.118 2.684 3.883 1.00 0.96 H new ATOM 0 HE1 PHE B 20 14.958 2.083 0.887 1.00 1.02 H new ATOM 0 HE2 PHE B 20 11.123 0.862 2.243 1.00 0.97 H new ATOM 0 HZ PHE B 20 13.040 0.564 0.741 1.00 0.29 H new ATOM 333 N GLY B 21 14.273 4.405 7.750 1.00 0.30 N ATOM 334 CA GLY B 21 14.109 5.013 9.061 1.00 0.33 C ATOM 335 C GLY B 21 12.708 5.548 9.310 1.00 0.27 C ATOM 336 O GLY B 21 12.522 6.436 10.142 1.00 0.34 O ATOM 0 H GLY B 21 14.596 3.438 7.771 1.00 0.30 H new ATOM 0 HA2 GLY B 21 14.349 4.276 9.827 1.00 0.33 H new ATOM 0 HA3 GLY B 21 14.825 5.828 9.167 1.00 0.33 H new ATOM 340 N THR B 22 11.725 5.007 8.590 1.00 0.27 N ATOM 341 CA THR B 22 10.332 5.437 8.726 1.00 0.33 C ATOM 342 C THR B 22 10.191 6.942 8.444 1.00 0.42 C ATOM 343 O THR B 22 9.275 7.599 8.935 1.00 0.59 O ATOM 344 CB THR B 22 9.796 5.107 10.138 1.00 0.35 C ATOM 345 OG1 THR B 22 10.408 3.900 10.619 1.00 0.85 O ATOM 346 CG2 THR B 22 8.283 4.931 10.130 1.00 0.74 C ATOM 0 H THR B 22 11.868 4.267 7.903 1.00 0.27 H new ATOM 0 HA THR B 22 9.740 4.893 7.991 1.00 0.33 H new ATOM 0 HB THR B 22 10.044 5.941 10.794 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.067 3.695 11.515 1.00 0.85 H new ATOM 0 HG21 THR B 22 7.938 4.700 11.138 1.00 0.74 H new ATOM 0 HG22 THR B 22 7.811 5.852 9.787 1.00 0.74 H new ATOM 0 HG23 THR B 22 8.015 4.115 9.459 1.00 0.74 H new ATOM 354 N LYS B 23 11.095 7.467 7.617 1.00 0.41 N ATOM 355 CA LYS B 23 11.103 8.887 7.268 1.00 0.58 C ATOM 356 C LYS B 23 10.128 9.214 6.137 1.00 0.73 C ATOM 357 O LYS B 23 10.097 10.341 5.644 1.00 1.13 O ATOM 358 CB LYS B 23 12.510 9.308 6.854 1.00 0.57 C ATOM 359 CG LYS B 23 13.507 9.317 8.002 1.00 0.79 C ATOM 360 CD LYS B 23 14.934 9.468 7.505 1.00 0.96 C ATOM 361 CE LYS B 23 15.094 10.695 6.623 1.00 1.41 C ATOM 362 NZ LYS B 23 16.504 11.150 6.570 1.00 1.89 N ATOM 0 H LYS B 23 11.837 6.925 7.173 1.00 0.41 H new ATOM 0 HA LYS B 23 10.784 9.438 8.153 1.00 0.58 H new ATOM 0 HB2 LYS B 23 12.869 8.632 6.078 1.00 0.57 H new ATOM 0 HB3 LYS B 23 12.467 10.304 6.414 1.00 0.57 H new ATOM 0 HG2 LYS B 23 13.270 10.134 8.683 1.00 0.79 H new ATOM 0 HG3 LYS B 23 13.416 8.392 8.571 1.00 0.79 H new ATOM 0 HD2 LYS B 23 15.610 9.541 8.357 1.00 0.96 H new ATOM 0 HD3 LYS B 23 15.221 8.578 6.946 1.00 0.96 H new ATOM 0 HE2 LYS B 23 14.747 10.467 5.615 1.00 1.41 H new ATOM 0 HE3 LYS B 23 14.465 11.501 7.002 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 16.575 11.989 5.959 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 16.827 11.391 7.529 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 17.100 10.390 6.185 1.00 1.89 H new ATOM 376 N LYS B 24 9.346 8.234 5.711 1.00 0.73 N ATOM 377 CA LYS B 24 8.382 8.459 4.639 1.00 1.03 C ATOM 378 C LYS B 24 7.131 7.618 4.840 1.00 0.71 C ATOM 379 O LYS B 24 6.051 7.973 4.370 1.00 0.55 O ATOM 380 CB LYS B 24 9.004 8.140 3.280 1.00 1.60 C ATOM 381 CG LYS B 24 8.255 8.751 2.102 1.00 2.50 C ATOM 382 CD LYS B 24 8.893 10.054 1.621 1.00 3.67 C ATOM 383 CE LYS B 24 8.994 11.106 2.719 1.00 4.88 C ATOM 384 NZ LYS B 24 9.827 12.267 2.301 1.00 5.98 N ATOM 0 H LYS B 24 9.357 7.285 6.084 1.00 0.73 H new ATOM 0 HA LYS B 24 8.100 9.512 4.665 1.00 1.03 H new ATOM 0 HB2 LYS B 24 10.033 8.498 3.269 1.00 1.60 H new ATOM 0 HB3 LYS B 24 9.041 7.058 3.153 1.00 1.60 H new ATOM 0 HG2 LYS B 24 8.231 8.036 1.280 1.00 2.50 H new ATOM 0 HG3 LYS B 24 7.221 8.940 2.391 1.00 2.50 H new ATOM 0 HD2 LYS B 24 9.890 9.843 1.234 1.00 3.67 H new ATOM 0 HD3 LYS B 24 8.308 10.455 0.793 1.00 3.67 H new ATOM 0 HE2 LYS B 24 7.995 11.452 2.983 1.00 4.88 H new ATOM 0 HE3 LYS B 24 9.422 10.656 3.615 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 10.290 12.680 3.135 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 10.551 11.950 1.625 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 9.223 12.983 1.850 1.00 5.98 H new ATOM 398 N LEU B 25 7.283 6.509 5.556 1.00 0.71 N ATOM 399 CA LEU B 25 6.170 5.606 5.826 1.00 0.62 C ATOM 400 C LEU B 25 5.117 6.280 6.697 1.00 0.44 C ATOM 401 O LEU B 25 3.988 5.808 6.793 1.00 0.56 O ATOM 402 CB LEU B 25 6.661 4.326 6.511 1.00 0.76 C ATOM 403 CG LEU B 25 7.478 3.372 5.634 1.00 0.71 C ATOM 404 CD1 LEU B 25 8.962 3.493 5.943 1.00 0.86 C ATOM 405 CD2 LEU B 25 7.010 1.944 5.851 1.00 0.75 C ATOM 0 H LEU B 25 8.171 6.213 5.962 1.00 0.71 H new ATOM 0 HA LEU B 25 5.719 5.346 4.868 1.00 0.62 H new ATOM 0 HB2 LEU B 25 7.267 4.607 7.372 1.00 0.76 H new ATOM 0 HB3 LEU B 25 5.795 3.786 6.894 1.00 0.76 H new ATOM 0 HG LEU B 25 7.325 3.643 4.589 1.00 0.71 H new ATOM 0 HD11 LEU B 25 9.523 2.807 5.309 1.00 0.86 H new ATOM 0 HD12 LEU B 25 9.291 4.514 5.752 1.00 0.86 H new ATOM 0 HD13 LEU B 25 9.137 3.245 6.990 1.00 0.86 H new ATOM 0 HD21 LEU B 25 7.595 1.270 5.225 1.00 0.75 H new ATOM 0 HD22 LEU B 25 7.143 1.673 6.898 1.00 0.75 H new ATOM 0 HD23 LEU B 25 5.956 1.862 5.586 1.00 0.75 H new ATOM 417 N GLY B 26 5.494 7.387 7.326 1.00 0.42 N ATOM 418 CA GLY B 26 4.573 8.111 8.172 1.00 0.53 C ATOM 419 C GLY B 26 3.584 8.928 7.369 1.00 0.60 C ATOM 420 O GLY B 26 2.376 8.748 7.494 1.00 0.87 O ATOM 0 H GLY B 26 6.427 7.795 7.263 1.00 0.42 H new ATOM 0 HA2 GLY B 26 4.032 7.407 8.804 1.00 0.53 H new ATOM 0 HA3 GLY B 26 5.133 8.770 8.836 1.00 0.53 H new ATOM 424 N SER B 27 4.101 9.813 6.528 1.00 0.53 N ATOM 425 CA SER B 27 3.263 10.673 5.705 1.00 0.58 C ATOM 426 C SER B 27 2.435 9.871 4.700 1.00 0.51 C ATOM 427 O SER B 27 1.212 10.015 4.640 1.00 0.53 O ATOM 428 CB SER B 27 4.135 11.684 4.965 1.00 0.66 C ATOM 429 OG SER B 27 5.166 12.173 5.804 1.00 0.89 O ATOM 0 H SER B 27 5.103 9.954 6.398 1.00 0.53 H new ATOM 0 HA SER B 27 2.569 11.192 6.366 1.00 0.58 H new ATOM 0 HB2 SER B 27 4.571 11.217 4.082 1.00 0.66 H new ATOM 0 HB3 SER B 27 3.520 12.514 4.616 1.00 0.66 H new ATOM 0 HG SER B 27 5.713 12.818 5.308 1.00 0.89 H new ATOM 435 N ILE B 28 3.101 9.007 3.935 1.00 0.47 N ATOM 436 CA ILE B 28 2.415 8.205 2.924 1.00 0.44 C ATOM 437 C ILE B 28 1.519 7.157 3.582 1.00 0.42 C ATOM 438 O ILE B 28 0.463 6.805 3.057 1.00 0.41 O ATOM 439 CB ILE B 28 3.411 7.511 1.959 1.00 0.49 C ATOM 440 CG1 ILE B 28 4.069 6.284 2.605 1.00 1.16 C ATOM 441 CG2 ILE B 28 4.474 8.498 1.516 1.00 0.80 C ATOM 442 CD1 ILE B 28 4.952 5.496 1.657 1.00 1.25 C ATOM 0 H ILE B 28 4.106 8.845 3.995 1.00 0.47 H new ATOM 0 HA ILE B 28 1.801 8.889 2.339 1.00 0.44 H new ATOM 0 HB ILE B 28 2.848 7.166 1.092 1.00 0.49 H new ATOM 0 HG12 ILE B 28 4.666 6.609 3.457 1.00 1.16 H new ATOM 0 HG13 ILE B 28 3.290 5.627 2.993 1.00 1.16 H new ATOM 0 HG21 ILE B 28 5.170 8.003 0.838 1.00 0.80 H new ATOM 0 HG22 ILE B 28 4.002 9.336 1.003 1.00 0.80 H new ATOM 0 HG23 ILE B 28 5.015 8.865 2.388 1.00 0.80 H new ATOM 0 HD11 ILE B 28 5.382 4.644 2.184 1.00 1.25 H new ATOM 0 HD12 ILE B 28 4.356 5.140 0.816 1.00 1.25 H new ATOM 0 HD13 ILE B 28 5.753 6.137 1.288 1.00 1.25 H new ATOM 454 N GLY B 29 1.944 6.678 4.750 1.00 0.46 N ATOM 455 CA GLY B 29 1.189 5.674 5.468 1.00 0.48 C ATOM 456 C GLY B 29 -0.054 6.238 6.117 1.00 0.46 C ATOM 457 O GLY B 29 -1.100 5.596 6.125 1.00 0.50 O ATOM 0 H GLY B 29 2.805 6.973 5.211 1.00 0.46 H new ATOM 0 HA2 GLY B 29 0.906 4.877 4.781 1.00 0.48 H new ATOM 0 HA3 GLY B 29 1.823 5.226 6.233 1.00 0.48 H new ATOM 461 N SER B 30 0.061 7.437 6.670 1.00 0.43 N ATOM 462 CA SER B 30 -1.066 8.084 7.322 1.00 0.45 C ATOM 463 C SER B 30 -2.111 8.496 6.287 1.00 0.42 C ATOM 464 O SER B 30 -3.310 8.299 6.488 1.00 0.45 O ATOM 465 CB SER B 30 -0.586 9.302 8.119 1.00 0.47 C ATOM 466 OG SER B 30 -1.618 9.830 8.932 1.00 0.94 O ATOM 0 H SER B 30 0.924 7.981 6.680 1.00 0.43 H new ATOM 0 HA SER B 30 -1.527 7.378 8.013 1.00 0.45 H new ATOM 0 HB2 SER B 30 0.261 9.019 8.743 1.00 0.47 H new ATOM 0 HB3 SER B 30 -0.233 10.071 7.432 1.00 0.47 H new ATOM 0 HG SER B 30 -1.280 10.604 9.428 1.00 0.94 H new ATOM 472 N ASP B 31 -1.646 9.044 5.164 1.00 0.37 N ATOM 473 CA ASP B 31 -2.544 9.480 4.096 1.00 0.38 C ATOM 474 C ASP B 31 -3.311 8.293 3.536 1.00 0.37 C ATOM 475 O ASP B 31 -4.543 8.276 3.529 1.00 0.39 O ATOM 476 CB ASP B 31 -1.765 10.164 2.973 1.00 0.38 C ATOM 477 CG ASP B 31 -2.674 10.811 1.949 1.00 0.96 C ATOM 478 OD1 ASP B 31 -3.281 10.083 1.144 1.00 1.35 O ATOM 479 OD2 ASP B 31 -2.763 12.057 1.942 1.00 1.48 O ATOM 0 H ASP B 31 -0.656 9.196 4.971 1.00 0.37 H new ATOM 0 HA ASP B 31 -3.247 10.197 4.519 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -1.107 10.921 3.400 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -1.128 9.431 2.478 1.00 0.38 H new ATOM 484 N LEU B 32 -2.574 7.277 3.098 1.00 0.36 N ATOM 485 CA LEU B 32 -3.195 6.088 2.540 1.00 0.36 C ATOM 486 C LEU B 32 -3.928 5.300 3.621 1.00 0.38 C ATOM 487 O LEU B 32 -4.799 4.482 3.324 1.00 0.40 O ATOM 488 CB LEU B 32 -2.165 5.224 1.811 1.00 0.36 C ATOM 489 CG LEU B 32 -2.127 5.462 0.297 1.00 0.38 C ATOM 490 CD1 LEU B 32 -0.748 5.887 -0.182 1.00 0.59 C ATOM 491 CD2 LEU B 32 -2.577 4.231 -0.455 1.00 0.57 C ATOM 0 H LEU B 32 -1.554 7.256 3.119 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.936 6.402 1.805 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -1.177 5.422 2.227 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.385 4.173 2.000 1.00 0.36 H new ATOM 0 HG LEU B 32 -2.818 6.279 0.090 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -0.770 6.044 -1.260 1.00 0.59 H new ATOM 0 HD12 LEU B 32 -0.460 6.814 0.314 1.00 0.59 H new ATOM 0 HD13 LEU B 32 -0.024 5.108 0.057 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -2.541 4.426 -1.527 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -1.917 3.397 -0.215 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -3.598 3.981 -0.166 1.00 0.57 H new ATOM 503 N GLY B 33 -3.580 5.561 4.874 1.00 0.38 N ATOM 504 CA GLY B 33 -4.246 4.910 5.981 1.00 0.39 C ATOM 505 C GLY B 33 -5.639 5.477 6.150 1.00 0.41 C ATOM 506 O GLY B 33 -6.605 4.748 6.373 1.00 0.42 O ATOM 0 H GLY B 33 -2.845 6.215 5.143 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -4.300 3.836 5.803 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.672 5.053 6.897 1.00 0.39 H new ATOM 510 N ALA B 34 -5.736 6.795 6.031 1.00 0.41 N ATOM 511 CA ALA B 34 -7.012 7.485 6.119 1.00 0.44 C ATOM 512 C ALA B 34 -7.850 7.130 4.905 1.00 0.44 C ATOM 513 O ALA B 34 -9.078 7.105 4.949 1.00 0.49 O ATOM 514 CB ALA B 34 -6.794 8.987 6.173 1.00 0.44 C ATOM 0 H ALA B 34 -4.938 7.410 5.872 1.00 0.41 H new ATOM 0 HA ALA B 34 -7.529 7.176 7.028 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.758 9.492 6.239 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -6.193 9.236 7.048 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -6.275 9.312 5.271 1.00 0.44 H new ATOM 520 N SER B 35 -7.157 6.863 3.817 1.00 0.42 N ATOM 521 CA SER B 35 -7.787 6.497 2.572 1.00 0.42 C ATOM 522 C SER B 35 -8.348 5.068 2.640 1.00 0.41 C ATOM 523 O SER B 35 -9.411 4.782 2.090 1.00 0.40 O ATOM 524 CB SER B 35 -6.769 6.631 1.446 1.00 0.43 C ATOM 525 OG SER B 35 -6.275 7.959 1.382 1.00 0.48 O ATOM 0 H SER B 35 -6.138 6.895 3.775 1.00 0.42 H new ATOM 0 HA SER B 35 -8.627 7.165 2.381 1.00 0.42 H new ATOM 0 HB2 SER B 35 -5.944 5.937 1.608 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.230 6.362 0.496 1.00 0.43 H new ATOM 0 HG SER B 35 -5.645 8.110 2.118 1.00 0.48 H new ATOM 531 N ILE B 36 -7.646 4.180 3.346 1.00 0.45 N ATOM 532 CA ILE B 36 -8.077 2.790 3.474 1.00 0.47 C ATOM 533 C ILE B 36 -9.293 2.659 4.401 1.00 0.43 C ATOM 534 O ILE B 36 -10.145 1.795 4.191 1.00 0.43 O ATOM 535 CB ILE B 36 -6.918 1.871 3.966 1.00 0.57 C ATOM 536 CG1 ILE B 36 -7.068 0.458 3.398 1.00 0.68 C ATOM 537 CG2 ILE B 36 -6.841 1.812 5.484 1.00 0.55 C ATOM 538 CD1 ILE B 36 -6.732 0.360 1.927 1.00 1.03 C ATOM 0 H ILE B 36 -6.779 4.399 3.836 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.372 2.459 2.478 1.00 0.47 H new ATOM 0 HB ILE B 36 -5.989 2.309 3.601 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -6.422 -0.220 3.956 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -8.093 0.120 3.552 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -6.019 1.160 5.782 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -6.671 2.814 5.879 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -7.777 1.420 5.881 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -6.860 -0.669 1.592 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -7.395 1.012 1.358 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -5.698 0.667 1.769 1.00 1.03 H new ATOM 550 N LYS B 37 -9.390 3.526 5.409 1.00 0.42 N ATOM 551 CA LYS B 37 -10.516 3.473 6.336 1.00 0.41 C ATOM 552 C LYS B 37 -11.800 3.902 5.637 1.00 0.43 C ATOM 553 O LYS B 37 -12.881 3.406 5.948 1.00 0.55 O ATOM 554 CB LYS B 37 -10.266 4.349 7.574 1.00 0.44 C ATOM 555 CG LYS B 37 -10.412 5.840 7.321 1.00 0.46 C ATOM 556 CD LYS B 37 -10.176 6.652 8.579 1.00 0.51 C ATOM 557 CE LYS B 37 -10.349 8.136 8.311 1.00 0.58 C ATOM 558 NZ LYS B 37 -10.117 8.950 9.530 1.00 0.70 N ATOM 0 H LYS B 37 -8.712 4.263 5.602 1.00 0.42 H new ATOM 0 HA LYS B 37 -10.622 2.441 6.671 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -10.962 4.055 8.360 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -9.261 4.152 7.948 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.704 6.149 6.551 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -11.411 6.047 6.937 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -10.872 6.336 9.356 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -9.171 6.462 8.955 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -9.656 8.447 7.530 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -11.356 8.322 7.936 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -10.245 9.957 9.304 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -10.795 8.672 10.268 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -9.148 8.792 9.873 1.00 0.70 H new ATOM 572 N GLY B 38 -11.669 4.816 4.683 1.00 0.36 N ATOM 573 CA GLY B 38 -12.823 5.294 3.950 1.00 0.42 C ATOM 574 C GLY B 38 -13.237 4.315 2.874 1.00 0.44 C ATOM 575 O GLY B 38 -14.426 4.163 2.582 1.00 0.51 O ATOM 0 H GLY B 38 -10.782 5.235 4.404 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.653 5.453 4.638 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -12.595 6.259 3.498 1.00 0.42 H new ATOM 579 N PHE B 39 -12.245 3.639 2.302 1.00 0.44 N ATOM 580 CA PHE B 39 -12.483 2.653 1.258 1.00 0.52 C ATOM 581 C PHE B 39 -13.345 1.514 1.803 1.00 0.43 C ATOM 582 O PHE B 39 -14.303 1.085 1.161 1.00 0.48 O ATOM 583 CB PHE B 39 -11.135 2.135 0.707 1.00 0.70 C ATOM 584 CG PHE B 39 -11.005 0.635 0.625 1.00 0.74 C ATOM 585 CD1 PHE B 39 -11.512 -0.057 -0.457 1.00 0.74 C ATOM 586 CD2 PHE B 39 -10.367 -0.075 1.629 1.00 1.21 C ATOM 587 CE1 PHE B 39 -11.389 -1.430 -0.540 1.00 1.06 C ATOM 588 CE2 PHE B 39 -10.241 -1.447 1.552 1.00 1.48 C ATOM 589 CZ PHE B 39 -10.753 -2.127 0.466 1.00 1.36 C ATOM 0 H PHE B 39 -11.262 3.759 2.548 1.00 0.44 H new ATOM 0 HA PHE B 39 -13.025 3.116 0.434 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -10.985 2.551 -0.289 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.332 2.519 1.337 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -12.011 0.482 -1.248 1.00 0.74 H new ATOM 0 HD2 PHE B 39 -9.964 0.451 2.482 1.00 1.21 H new ATOM 0 HE1 PHE B 39 -11.791 -1.958 -1.392 1.00 1.06 H new ATOM 0 HE2 PHE B 39 -9.742 -1.989 2.342 1.00 1.48 H new ATOM 0 HZ PHE B 39 -10.656 -3.201 0.404 1.00 1.36 H new ATOM 599 N LYS B 40 -13.019 1.057 3.008 1.00 0.41 N ATOM 600 CA LYS B 40 -13.763 -0.033 3.630 1.00 0.44 C ATOM 601 C LYS B 40 -15.059 0.474 4.254 1.00 0.43 C ATOM 602 O LYS B 40 -15.974 -0.302 4.502 1.00 0.50 O ATOM 603 CB LYS B 40 -12.919 -0.735 4.696 1.00 0.52 C ATOM 604 CG LYS B 40 -13.203 -2.228 4.809 1.00 0.86 C ATOM 605 CD LYS B 40 -12.221 -3.048 3.983 1.00 0.97 C ATOM 606 CE LYS B 40 -12.509 -4.540 4.083 1.00 1.34 C ATOM 607 NZ LYS B 40 -11.459 -5.353 3.408 1.00 1.61 N ATOM 0 H LYS B 40 -12.250 1.421 3.570 1.00 0.41 H new ATOM 0 HA LYS B 40 -14.007 -0.749 2.846 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -11.863 -0.590 4.466 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -13.102 -0.264 5.662 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -13.144 -2.532 5.854 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -14.220 -2.432 4.475 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -12.274 -2.736 2.940 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -11.205 -2.850 4.324 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -12.573 -4.828 5.132 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -13.479 -4.754 3.634 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -11.691 -6.363 3.498 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -11.415 -5.096 2.401 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -10.537 -5.168 3.853 1.00 1.61 H new ATOM 621 N LYS B 41 -15.139 1.777 4.499 1.00 0.40 N ATOM 622 CA LYS B 41 -16.331 2.368 5.107 1.00 0.45 C ATOM 623 C LYS B 41 -17.501 2.351 4.126 1.00 0.41 C ATOM 624 O LYS B 41 -18.662 2.286 4.525 1.00 0.48 O ATOM 625 CB LYS B 41 -16.038 3.796 5.557 1.00 0.53 C ATOM 626 CG LYS B 41 -17.118 4.396 6.436 1.00 0.66 C ATOM 627 CD LYS B 41 -16.718 5.772 6.930 1.00 0.77 C ATOM 628 CE LYS B 41 -17.878 6.470 7.607 1.00 0.94 C ATOM 629 NZ LYS B 41 -18.336 5.725 8.807 1.00 1.04 N ATOM 0 H LYS B 41 -14.397 2.444 4.288 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.606 1.773 5.978 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -15.093 3.809 6.099 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -15.909 4.425 4.676 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -18.051 4.464 5.876 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -17.304 3.741 7.287 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -15.886 5.683 7.629 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -16.367 6.374 6.092 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -17.579 7.478 7.895 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -18.704 6.571 6.903 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -19.062 6.280 9.304 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -18.738 4.811 8.516 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -17.530 5.562 9.443 1.00 1.04 H new ATOM 643 N ALA B 42 -17.182 2.411 2.841 1.00 0.32 N ATOM 644 CA ALA B 42 -18.200 2.379 1.798 1.00 0.29 C ATOM 645 C ALA B 42 -18.534 0.935 1.438 1.00 0.27 C ATOM 646 O ALA B 42 -19.336 0.678 0.548 1.00 0.41 O ATOM 647 CB ALA B 42 -17.727 3.146 0.564 1.00 0.31 C ATOM 0 H ALA B 42 -16.225 2.482 2.494 1.00 0.32 H new ATOM 0 HA ALA B 42 -19.102 2.862 2.173 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.500 3.111 -0.204 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -17.530 4.183 0.834 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.814 2.691 0.181 1.00 0.31 H new ATOM 653 N MET B 43 -17.903 -0.004 2.137 1.00 0.37 N ATOM 654 CA MET B 43 -18.116 -1.428 1.899 1.00 0.43 C ATOM 655 C MET B 43 -18.086 -2.204 3.217 1.00 0.48 C ATOM 656 O MET B 43 -17.214 -3.048 3.423 1.00 0.72 O ATOM 657 CB MET B 43 -17.025 -1.977 0.970 1.00 0.54 C ATOM 658 CG MET B 43 -16.964 -1.312 -0.396 1.00 0.75 C ATOM 659 SD MET B 43 -15.407 -1.627 -1.256 1.00 1.39 S ATOM 660 CE MET B 43 -15.521 -3.392 -1.529 1.00 1.21 C ATOM 0 H MET B 43 -17.234 0.199 2.880 1.00 0.37 H new ATOM 0 HA MET B 43 -19.093 -1.551 1.432 1.00 0.43 H new ATOM 0 HB2 MET B 43 -16.058 -1.862 1.459 1.00 0.54 H new ATOM 0 HB3 MET B 43 -17.187 -3.046 0.832 1.00 0.54 H new ATOM 0 HG2 MET B 43 -17.791 -1.672 -1.008 1.00 0.75 H new ATOM 0 HG3 MET B 43 -17.098 -0.237 -0.278 1.00 0.75 H new ATOM 0 HE1 MET B 43 -14.664 -3.726 -2.114 1.00 1.21 H new ATOM 0 HE2 MET B 43 -15.529 -3.909 -0.569 1.00 1.21 H new ATOM 0 HE3 MET B 43 -16.440 -3.618 -2.070 1.00 1.21 H new ATOM 670 N SER B 44 -19.018 -1.911 4.118 1.00 0.56 N ATOM 671 CA SER B 44 -19.057 -2.599 5.405 1.00 0.66 C ATOM 672 C SER B 44 -20.484 -2.793 5.908 1.00 0.66 C ATOM 673 O SER B 44 -21.067 -1.901 6.525 1.00 0.99 O ATOM 674 CB SER B 44 -18.236 -1.836 6.448 1.00 0.88 C ATOM 675 OG SER B 44 -18.083 -0.474 6.090 1.00 1.35 O ATOM 0 H SER B 44 -19.748 -1.211 3.985 1.00 0.56 H new ATOM 0 HA SER B 44 -18.620 -3.586 5.253 1.00 0.66 H new ATOM 0 HB2 SER B 44 -18.725 -1.906 7.420 1.00 0.88 H new ATOM 0 HB3 SER B 44 -17.255 -2.299 6.551 1.00 0.88 H new ATOM 0 HG SER B 44 -17.472 -0.403 5.327 1.00 1.35 H new ATOM 782 N ILE A 6 1.543 -9.195 -5.972 1.00 0.84 N ATOM 783 CA ILE A 6 1.982 -8.311 -4.894 1.00 0.75 C ATOM 784 C ILE A 6 3.361 -8.706 -4.358 1.00 0.65 C ATOM 785 O ILE A 6 4.088 -7.864 -3.831 1.00 0.61 O ATOM 786 CB ILE A 6 0.961 -8.304 -3.728 1.00 0.82 C ATOM 787 CG1 ILE A 6 -0.466 -8.108 -4.252 1.00 0.95 C ATOM 788 CG2 ILE A 6 1.294 -7.212 -2.717 1.00 0.79 C ATOM 789 CD1 ILE A 6 -0.671 -6.816 -5.021 1.00 0.96 C ATOM 0 HA ILE A 6 2.050 -7.310 -5.320 1.00 0.75 H new ATOM 0 HB ILE A 6 1.023 -9.272 -3.231 1.00 0.82 H new ATOM 0 HG12 ILE A 6 -0.723 -8.948 -4.898 1.00 0.95 H new ATOM 0 HG13 ILE A 6 -1.157 -8.131 -3.410 1.00 0.95 H new ATOM 0 HG21 ILE A 6 0.562 -7.229 -1.909 1.00 0.79 H new ATOM 0 HG22 ILE A 6 2.290 -7.386 -2.309 1.00 0.79 H new ATOM 0 HG23 ILE A 6 1.268 -6.240 -3.210 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -1.706 -6.753 -5.358 1.00 0.96 H new ATOM 0 HD12 ILE A 6 -0.448 -5.968 -4.374 1.00 0.96 H new ATOM 0 HD13 ILE A 6 -0.007 -6.798 -5.885 1.00 0.96 H new ATOM 801 N TRP A 7 3.728 -9.974 -4.522 1.00 0.64 N ATOM 802 CA TRP A 7 5.012 -10.469 -4.034 1.00 0.60 C ATOM 803 C TRP A 7 6.173 -9.693 -4.652 1.00 0.56 C ATOM 804 O TRP A 7 6.904 -8.995 -3.949 1.00 0.54 O ATOM 805 CB TRP A 7 5.163 -11.964 -4.327 1.00 0.67 C ATOM 806 CG TRP A 7 5.878 -12.699 -3.233 1.00 0.64 C ATOM 807 CD1 TRP A 7 5.314 -13.259 -2.122 1.00 0.75 C ATOM 808 CD2 TRP A 7 7.289 -12.933 -3.130 1.00 0.65 C ATOM 809 NE1 TRP A 7 6.288 -13.823 -1.334 1.00 0.78 N ATOM 810 CE2 TRP A 7 7.505 -13.637 -1.930 1.00 0.71 C ATOM 811 CE3 TRP A 7 8.388 -12.624 -3.937 1.00 0.76 C ATOM 812 CZ2 TRP A 7 8.775 -14.030 -1.516 1.00 0.82 C ATOM 813 CZ3 TRP A 7 9.650 -13.009 -3.519 1.00 0.91 C ATOM 814 CH2 TRP A 7 9.833 -13.706 -2.319 1.00 0.92 C ATOM 0 H TRP A 7 3.155 -10.677 -4.989 1.00 0.64 H new ATOM 0 HA TRP A 7 5.036 -10.319 -2.955 1.00 0.60 H new ATOM 0 HB2 TRP A 7 4.176 -12.404 -4.469 1.00 0.67 H new ATOM 0 HB3 TRP A 7 5.708 -12.094 -5.262 1.00 0.67 H new ATOM 0 HD1 TRP A 7 4.258 -13.258 -1.896 1.00 0.75 H new ATOM 0 HE1 TRP A 7 6.129 -14.303 -0.448 1.00 0.78 H new ATOM 0 HE3 TRP A 7 8.255 -12.095 -4.869 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 8.919 -14.572 -0.593 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 10.508 -12.768 -4.129 1.00 0.91 H new ATOM 0 HH2 TRP A 7 10.830 -13.994 -2.021 1.00 0.92 H new ATOM 825 N GLN A 8 6.328 -9.800 -5.969 1.00 0.57 N ATOM 826 CA GLN A 8 7.403 -9.101 -6.666 1.00 0.59 C ATOM 827 C GLN A 8 7.191 -7.597 -6.607 1.00 0.58 C ATOM 828 O GLN A 8 8.153 -6.833 -6.578 1.00 0.59 O ATOM 829 CB GLN A 8 7.502 -9.565 -8.119 1.00 0.68 C ATOM 830 CG GLN A 8 7.678 -11.064 -8.255 1.00 0.79 C ATOM 831 CD GLN A 8 6.415 -11.754 -8.724 1.00 1.06 C ATOM 832 OE1 GLN A 8 5.543 -12.088 -7.923 1.00 1.49 O ATOM 833 NE2 GLN A 8 6.308 -11.965 -10.024 1.00 1.50 N ATOM 0 H GLN A 8 5.726 -10.361 -6.572 1.00 0.57 H new ATOM 0 HA GLN A 8 8.341 -9.340 -6.164 1.00 0.59 H new ATOM 0 HB2 GLN A 8 6.602 -9.261 -8.653 1.00 0.68 H new ATOM 0 HB3 GLN A 8 8.342 -9.062 -8.598 1.00 0.68 H new ATOM 0 HG2 GLN A 8 8.484 -11.270 -8.959 1.00 0.79 H new ATOM 0 HG3 GLN A 8 7.980 -11.480 -7.294 1.00 0.79 H new ATOM 0 HE21 GLN A 8 7.056 -11.671 -10.652 1.00 1.50 H new ATOM 0 HE22 GLN A 8 5.477 -12.422 -10.400 1.00 1.50 H new ATOM 842 N LEU A 9 5.926 -7.181 -6.580 1.00 0.60 N ATOM 843 CA LEU A 9 5.581 -5.761 -6.504 1.00 0.65 C ATOM 844 C LEU A 9 6.197 -5.143 -5.251 1.00 0.58 C ATOM 845 O LEU A 9 6.708 -4.022 -5.281 1.00 0.59 O ATOM 846 CB LEU A 9 4.060 -5.579 -6.490 1.00 0.74 C ATOM 847 CG LEU A 9 3.460 -4.893 -7.724 1.00 0.94 C ATOM 848 CD1 LEU A 9 3.875 -3.431 -7.781 1.00 0.95 C ATOM 849 CD2 LEU A 9 3.870 -5.618 -8.999 1.00 1.02 C ATOM 0 H LEU A 9 5.122 -7.807 -6.610 1.00 0.60 H new ATOM 0 HA LEU A 9 5.981 -5.256 -7.383 1.00 0.65 H new ATOM 0 HB2 LEU A 9 3.596 -6.559 -6.381 1.00 0.74 H new ATOM 0 HB3 LEU A 9 3.790 -4.999 -5.608 1.00 0.74 H new ATOM 0 HG LEU A 9 2.374 -4.937 -7.642 1.00 0.94 H new ATOM 0 HD11 LEU A 9 3.439 -2.963 -8.664 1.00 0.95 H new ATOM 0 HD12 LEU A 9 3.522 -2.918 -6.886 1.00 0.95 H new ATOM 0 HD13 LEU A 9 4.962 -3.363 -7.834 1.00 0.95 H new ATOM 0 HD21 LEU A 9 3.433 -5.114 -9.861 1.00 1.02 H new ATOM 0 HD22 LEU A 9 4.956 -5.612 -9.088 1.00 1.02 H new ATOM 0 HD23 LEU A 9 3.515 -6.648 -8.962 1.00 1.02 H new ATOM 861 N LEU A 10 6.149 -5.892 -4.155 1.00 0.52 N ATOM 862 CA LEU A 10 6.718 -5.445 -2.893 1.00 0.46 C ATOM 863 C LEU A 10 8.231 -5.293 -3.026 1.00 0.41 C ATOM 864 O LEU A 10 8.795 -4.294 -2.592 1.00 0.38 O ATOM 865 CB LEU A 10 6.397 -6.448 -1.782 1.00 0.45 C ATOM 866 CG LEU A 10 6.031 -5.856 -0.414 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.652 -6.689 0.690 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.478 -4.408 -0.288 1.00 0.43 C ATOM 0 H LEU A 10 5.719 -6.816 -4.117 1.00 0.52 H new ATOM 0 HA LEU A 10 6.281 -4.480 -2.637 1.00 0.46 H new ATOM 0 HB2 LEU A 10 5.570 -7.074 -2.116 1.00 0.45 H new ATOM 0 HB3 LEU A 10 7.260 -7.102 -1.652 1.00 0.45 H new ATOM 0 HG LEU A 10 4.945 -5.876 -0.322 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.389 -6.264 1.659 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.278 -7.711 0.629 1.00 0.39 H new ATOM 0 HD13 LEU A 10 7.736 -6.692 0.578 1.00 0.39 H new ATOM 0 HD21 LEU A 10 6.200 -4.026 0.694 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.560 -4.349 -0.408 1.00 0.43 H new ATOM 0 HD23 LEU A 10 5.995 -3.809 -1.060 1.00 0.43 H new ATOM 880 N ILE A 11 8.877 -6.280 -3.649 1.00 0.41 N ATOM 881 CA ILE A 11 10.328 -6.255 -3.839 1.00 0.39 C ATOM 882 C ILE A 11 10.762 -4.964 -4.526 1.00 0.40 C ATOM 883 O ILE A 11 11.697 -4.301 -4.079 1.00 0.38 O ATOM 884 CB ILE A 11 10.838 -7.482 -4.651 1.00 0.44 C ATOM 885 CG1 ILE A 11 11.137 -8.656 -3.717 1.00 0.48 C ATOM 886 CG2 ILE A 11 12.078 -7.140 -5.475 1.00 0.64 C ATOM 887 CD1 ILE A 11 9.908 -9.429 -3.308 1.00 0.99 C ATOM 0 H ILE A 11 8.418 -7.107 -4.031 1.00 0.41 H new ATOM 0 HA ILE A 11 10.775 -6.304 -2.846 1.00 0.39 H new ATOM 0 HB ILE A 11 10.045 -7.767 -5.342 1.00 0.44 H new ATOM 0 HG12 ILE A 11 11.835 -9.333 -4.210 1.00 0.48 H new ATOM 0 HG13 ILE A 11 11.635 -8.281 -2.823 1.00 0.48 H new ATOM 0 HG21 ILE A 11 12.403 -8.022 -6.027 1.00 0.64 H new ATOM 0 HG22 ILE A 11 11.840 -6.340 -6.176 1.00 0.64 H new ATOM 0 HG23 ILE A 11 12.878 -6.813 -4.810 1.00 0.64 H new ATOM 0 HD11 ILE A 11 10.196 -10.246 -2.646 1.00 0.99 H new ATOM 0 HD12 ILE A 11 9.218 -8.766 -2.787 1.00 0.99 H new ATOM 0 HD13 ILE A 11 9.421 -9.834 -4.195 1.00 0.99 H new ATOM 899 N ILE A 12 10.062 -4.593 -5.590 1.00 0.45 N ATOM 900 CA ILE A 12 10.394 -3.378 -6.320 1.00 0.46 C ATOM 901 C ILE A 12 10.105 -2.145 -5.458 1.00 0.44 C ATOM 902 O ILE A 12 10.876 -1.186 -5.454 1.00 0.44 O ATOM 903 CB ILE A 12 9.638 -3.293 -7.665 1.00 0.53 C ATOM 904 CG1 ILE A 12 9.690 -4.651 -8.375 1.00 0.54 C ATOM 905 CG2 ILE A 12 10.246 -2.208 -8.546 1.00 0.58 C ATOM 906 CD1 ILE A 12 8.869 -4.717 -9.647 1.00 0.61 C ATOM 0 H ILE A 12 9.267 -5.111 -5.964 1.00 0.45 H new ATOM 0 HA ILE A 12 11.460 -3.408 -6.548 1.00 0.46 H new ATOM 0 HB ILE A 12 8.597 -3.035 -7.472 1.00 0.53 H new ATOM 0 HG12 ILE A 12 10.728 -4.885 -8.613 1.00 0.54 H new ATOM 0 HG13 ILE A 12 9.339 -5.421 -7.688 1.00 0.54 H new ATOM 0 HG21 ILE A 12 9.703 -2.159 -9.490 1.00 0.58 H new ATOM 0 HG22 ILE A 12 10.177 -1.246 -8.038 1.00 0.58 H new ATOM 0 HG23 ILE A 12 11.293 -2.442 -8.741 1.00 0.58 H new ATOM 0 HD11 ILE A 12 8.959 -5.710 -10.087 1.00 0.61 H new ATOM 0 HD12 ILE A 12 7.823 -4.517 -9.416 1.00 0.61 H new ATOM 0 HD13 ILE A 12 9.233 -3.972 -10.354 1.00 0.61 H new ATOM 918 N ALA A 13 9.005 -2.200 -4.710 1.00 0.44 N ATOM 919 CA ALA A 13 8.615 -1.108 -3.816 1.00 0.45 C ATOM 920 C ALA A 13 9.713 -0.841 -2.804 1.00 0.39 C ATOM 921 O ALA A 13 10.165 0.288 -2.623 1.00 0.41 O ATOM 922 CB ALA A 13 7.334 -1.464 -3.066 1.00 0.49 C ATOM 0 H ALA A 13 8.364 -2.993 -4.705 1.00 0.44 H new ATOM 0 HA ALA A 13 8.448 -0.218 -4.423 1.00 0.45 H new ATOM 0 HB1 ALA A 13 7.058 -0.642 -2.406 1.00 0.49 H new ATOM 0 HB2 ALA A 13 6.531 -1.640 -3.781 1.00 0.49 H new ATOM 0 HB3 ALA A 13 7.497 -2.365 -2.474 1.00 0.49 H new ATOM 928 N VAL A 14 10.129 -1.922 -2.171 1.00 0.34 N ATOM 929 CA VAL A 14 11.157 -1.922 -1.145 1.00 0.29 C ATOM 930 C VAL A 14 12.454 -1.260 -1.609 1.00 0.29 C ATOM 931 O VAL A 14 13.084 -0.528 -0.850 1.00 0.31 O ATOM 932 CB VAL A 14 11.412 -3.379 -0.700 1.00 0.26 C ATOM 933 CG1 VAL A 14 12.668 -3.524 0.153 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.187 -3.898 0.040 1.00 0.27 C ATOM 0 H VAL A 14 9.751 -2.850 -2.361 1.00 0.34 H new ATOM 0 HA VAL A 14 10.800 -1.328 -0.304 1.00 0.29 H new ATOM 0 HB VAL A 14 11.585 -3.978 -1.594 1.00 0.26 H new ATOM 0 HG11 VAL A 14 12.797 -4.569 0.437 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.536 -3.193 -0.418 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.570 -2.914 1.051 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.362 -4.926 0.356 1.00 0.27 H new ATOM 0 HG22 VAL A 14 10.000 -3.276 0.915 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.321 -3.864 -0.621 1.00 0.27 H new ATOM 944 N ILE A 15 12.837 -1.484 -2.853 1.00 0.30 N ATOM 945 CA ILE A 15 14.073 -0.907 -3.367 1.00 0.32 C ATOM 946 C ILE A 15 13.891 0.540 -3.824 1.00 0.33 C ATOM 947 O ILE A 15 14.785 1.368 -3.654 1.00 0.34 O ATOM 948 CB ILE A 15 14.638 -1.734 -4.539 1.00 0.37 C ATOM 949 CG1 ILE A 15 14.637 -3.226 -4.188 1.00 0.36 C ATOM 950 CG2 ILE A 15 16.044 -1.264 -4.873 1.00 0.41 C ATOM 951 CD1 ILE A 15 14.938 -4.135 -5.363 1.00 0.42 C ATOM 0 H ILE A 15 12.319 -2.054 -3.522 1.00 0.30 H new ATOM 0 HA ILE A 15 14.779 -0.924 -2.537 1.00 0.32 H new ATOM 0 HB ILE A 15 14.004 -1.589 -5.413 1.00 0.37 H new ATOM 0 HG12 ILE A 15 15.374 -3.405 -3.405 1.00 0.36 H new ATOM 0 HG13 ILE A 15 13.663 -3.491 -3.776 1.00 0.36 H new ATOM 0 HG21 ILE A 15 16.437 -1.853 -5.702 1.00 0.41 H new ATOM 0 HG22 ILE A 15 16.018 -0.212 -5.155 1.00 0.41 H new ATOM 0 HG23 ILE A 15 16.686 -1.390 -4.002 1.00 0.41 H new ATOM 0 HD11 ILE A 15 14.919 -5.174 -5.034 1.00 0.42 H new ATOM 0 HD12 ILE A 15 14.187 -3.987 -6.139 1.00 0.42 H new ATOM 0 HD13 ILE A 15 15.924 -3.899 -5.762 1.00 0.42 H new ATOM 963 N VAL A 16 12.727 0.840 -4.377 1.00 0.35 N ATOM 964 CA VAL A 16 12.428 2.176 -4.888 1.00 0.38 C ATOM 965 C VAL A 16 12.569 3.267 -3.815 1.00 0.36 C ATOM 966 O VAL A 16 13.024 4.377 -4.105 1.00 0.38 O ATOM 967 CB VAL A 16 11.006 2.209 -5.510 1.00 0.44 C ATOM 968 CG1 VAL A 16 10.330 3.561 -5.324 1.00 0.51 C ATOM 969 CG2 VAL A 16 11.070 1.850 -6.987 1.00 0.47 C ATOM 0 H VAL A 16 11.964 0.172 -4.486 1.00 0.35 H new ATOM 0 HA VAL A 16 13.166 2.394 -5.659 1.00 0.38 H new ATOM 0 HB VAL A 16 10.403 1.469 -4.984 1.00 0.44 H new ATOM 0 HG11 VAL A 16 9.338 3.537 -5.775 1.00 0.51 H new ATOM 0 HG12 VAL A 16 10.240 3.779 -4.260 1.00 0.51 H new ATOM 0 HG13 VAL A 16 10.928 4.336 -5.804 1.00 0.51 H new ATOM 0 HG21 VAL A 16 10.067 1.877 -7.412 1.00 0.47 H new ATOM 0 HG22 VAL A 16 11.704 2.567 -7.509 1.00 0.47 H new ATOM 0 HG23 VAL A 16 11.485 0.849 -7.100 1.00 0.47 H new ATOM 979 N VAL A 17 12.212 2.946 -2.578 1.00 0.33 N ATOM 980 CA VAL A 17 12.269 3.923 -1.495 1.00 0.33 C ATOM 981 C VAL A 17 13.686 4.428 -1.213 1.00 0.33 C ATOM 982 O VAL A 17 13.878 5.624 -0.982 1.00 0.37 O ATOM 983 CB VAL A 17 11.633 3.392 -0.208 1.00 0.33 C ATOM 984 CG1 VAL A 17 11.218 4.541 0.695 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.438 2.505 -0.511 1.00 0.35 C ATOM 0 H VAL A 17 11.881 2.022 -2.299 1.00 0.33 H new ATOM 0 HA VAL A 17 11.685 4.774 -1.846 1.00 0.33 H new ATOM 0 HB VAL A 17 12.380 2.790 0.309 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.768 4.144 1.605 1.00 0.36 H new ATOM 0 HG12 VAL A 17 12.094 5.136 0.953 1.00 0.36 H new ATOM 0 HG13 VAL A 17 10.494 5.169 0.176 1.00 0.36 H new ATOM 0 HG21 VAL A 17 10.008 2.143 0.423 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.689 3.078 -1.058 1.00 0.35 H new ATOM 0 HG23 VAL A 17 10.759 1.657 -1.116 1.00 0.35 H new ATOM 995 N LEU A 18 14.681 3.544 -1.236 1.00 0.31 N ATOM 996 CA LEU A 18 16.056 3.975 -0.983 1.00 0.34 C ATOM 997 C LEU A 18 16.674 4.561 -2.239 1.00 0.36 C ATOM 998 O LEU A 18 17.570 5.398 -2.165 1.00 0.40 O ATOM 999 CB LEU A 18 16.943 2.837 -0.461 1.00 0.34 C ATOM 1000 CG LEU A 18 16.968 1.561 -1.304 1.00 0.33 C ATOM 1001 CD1 LEU A 18 18.375 1.004 -1.362 1.00 0.39 C ATOM 1002 CD2 LEU A 18 16.024 0.519 -0.733 1.00 0.30 C ATOM 0 H LEU A 18 14.568 2.548 -1.422 1.00 0.31 H new ATOM 0 HA LEU A 18 16.003 4.739 -0.207 1.00 0.34 H new ATOM 0 HB2 LEU A 18 17.963 3.210 -0.374 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.611 2.577 0.544 1.00 0.34 H new ATOM 0 HG LEU A 18 16.638 1.811 -2.312 1.00 0.33 H new ATOM 0 HD11 LEU A 18 18.382 0.096 -1.964 1.00 0.39 H new ATOM 0 HD12 LEU A 18 19.040 1.742 -1.810 1.00 0.39 H new ATOM 0 HD13 LEU A 18 18.717 0.773 -0.353 1.00 0.39 H new ATOM 0 HD21 LEU A 18 16.059 -0.380 -1.349 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.326 0.273 0.285 1.00 0.30 H new ATOM 0 HD23 LEU A 18 15.008 0.914 -0.724 1.00 0.30 H new ATOM 1014 N LEU A 19 16.178 4.129 -3.391 1.00 0.36 N ATOM 1015 CA LEU A 19 16.689 4.611 -4.667 1.00 0.40 C ATOM 1016 C LEU A 19 16.503 6.114 -4.802 1.00 0.41 C ATOM 1017 O LEU A 19 17.368 6.812 -5.328 1.00 0.45 O ATOM 1018 CB LEU A 19 15.991 3.912 -5.838 1.00 0.41 C ATOM 1019 CG LEU A 19 16.343 2.438 -6.021 1.00 0.44 C ATOM 1020 CD1 LEU A 19 15.927 1.955 -7.400 1.00 0.47 C ATOM 1021 CD2 LEU A 19 17.826 2.211 -5.805 1.00 0.47 C ATOM 0 H LEU A 19 15.424 3.447 -3.468 1.00 0.36 H new ATOM 0 HA LEU A 19 17.754 4.380 -4.693 1.00 0.40 H new ATOM 0 HB2 LEU A 19 14.913 3.997 -5.700 1.00 0.41 H new ATOM 0 HB3 LEU A 19 16.238 4.444 -6.757 1.00 0.41 H new ATOM 0 HG LEU A 19 15.795 1.862 -5.275 1.00 0.44 H new ATOM 0 HD11 LEU A 19 16.187 0.902 -7.510 1.00 0.47 H new ATOM 0 HD12 LEU A 19 14.850 2.078 -7.519 1.00 0.47 H new ATOM 0 HD13 LEU A 19 16.445 2.538 -8.161 1.00 0.47 H new ATOM 0 HD21 LEU A 19 18.056 1.154 -5.940 1.00 0.47 H new ATOM 0 HD22 LEU A 19 18.393 2.801 -6.525 1.00 0.47 H new ATOM 0 HD23 LEU A 19 18.097 2.515 -4.794 1.00 0.47 H new ATOM 1033 N PHE A 20 15.383 6.612 -4.305 1.00 0.40 N ATOM 1034 CA PHE A 20 15.083 8.030 -4.403 1.00 0.44 C ATOM 1035 C PHE A 20 15.223 8.731 -3.055 1.00 0.47 C ATOM 1036 O PHE A 20 14.753 9.853 -2.888 1.00 0.51 O ATOM 1037 CB PHE A 20 13.675 8.226 -4.970 1.00 0.45 C ATOM 1038 CG PHE A 20 13.429 7.440 -6.226 1.00 0.46 C ATOM 1039 CD1 PHE A 20 14.263 7.582 -7.323 1.00 1.07 C ATOM 1040 CD2 PHE A 20 12.371 6.552 -6.304 1.00 1.06 C ATOM 1041 CE1 PHE A 20 14.042 6.852 -8.475 1.00 1.05 C ATOM 1042 CE2 PHE A 20 12.146 5.820 -7.452 1.00 1.12 C ATOM 1043 CZ PHE A 20 12.982 5.969 -8.539 1.00 0.53 C ATOM 0 H PHE A 20 14.669 6.058 -3.832 1.00 0.40 H new ATOM 0 HA PHE A 20 15.808 8.483 -5.080 1.00 0.44 H new ATOM 0 HB2 PHE A 20 12.943 7.934 -4.217 1.00 0.45 H new ATOM 0 HB3 PHE A 20 13.517 9.285 -5.175 1.00 0.45 H new ATOM 0 HD1 PHE A 20 15.094 8.270 -7.277 1.00 1.07 H new ATOM 0 HD2 PHE A 20 11.713 6.430 -5.456 1.00 1.06 H new ATOM 0 HE1 PHE A 20 14.698 6.972 -9.325 1.00 1.05 H new ATOM 0 HE2 PHE A 20 11.316 5.131 -7.499 1.00 1.12 H new ATOM 0 HZ PHE A 20 12.808 5.396 -9.438 1.00 0.53 H new ATOM 1053 N GLY A 21 15.863 8.054 -2.103 1.00 0.49 N ATOM 1054 CA GLY A 21 16.086 8.624 -0.782 1.00 0.55 C ATOM 1055 C GLY A 21 14.831 9.172 -0.124 1.00 0.56 C ATOM 1056 O GLY A 21 14.815 10.324 0.308 1.00 0.65 O ATOM 0 H GLY A 21 16.234 7.112 -2.225 1.00 0.49 H new ATOM 0 HA2 GLY A 21 16.518 7.859 -0.136 1.00 0.55 H new ATOM 0 HA3 GLY A 21 16.821 9.425 -0.863 1.00 0.55 H new ATOM 1060 N THR A 22 13.793 8.340 -0.037 1.00 0.54 N ATOM 1061 CA THR A 22 12.512 8.718 0.576 1.00 0.61 C ATOM 1062 C THR A 22 11.991 10.067 0.074 1.00 0.71 C ATOM 1063 O THR A 22 11.809 10.999 0.855 1.00 1.26 O ATOM 1064 CB THR A 22 12.592 8.759 2.127 1.00 0.71 C ATOM 1065 OG1 THR A 22 13.802 9.389 2.565 1.00 1.46 O ATOM 1066 CG2 THR A 22 12.519 7.363 2.709 1.00 0.60 C ATOM 0 H THR A 22 13.813 7.383 -0.389 1.00 0.54 H new ATOM 0 HA THR A 22 11.813 7.938 0.272 1.00 0.61 H new ATOM 0 HB THR A 22 11.740 9.341 2.480 1.00 0.71 H new ATOM 0 HG1 THR A 22 14.074 10.066 1.911 1.00 1.46 H new ATOM 0 HG21 THR A 22 12.577 7.418 3.796 1.00 0.60 H new ATOM 0 HG22 THR A 22 11.577 6.897 2.419 1.00 0.60 H new ATOM 0 HG23 THR A 22 13.350 6.767 2.331 1.00 0.60 H new ATOM 1074 N LYS A 23 11.751 10.177 -1.227 1.00 0.38 N ATOM 1075 CA LYS A 23 11.247 11.429 -1.786 1.00 0.45 C ATOM 1076 C LYS A 23 9.970 11.219 -2.599 1.00 0.47 C ATOM 1077 O LYS A 23 8.895 11.659 -2.195 1.00 0.81 O ATOM 1078 CB LYS A 23 12.318 12.100 -2.650 1.00 0.49 C ATOM 1079 CG LYS A 23 13.407 12.793 -1.841 1.00 0.56 C ATOM 1080 CD LYS A 23 14.547 13.285 -2.723 1.00 0.77 C ATOM 1081 CE LYS A 23 14.097 14.409 -3.645 1.00 0.99 C ATOM 1082 NZ LYS A 23 15.161 14.809 -4.602 1.00 1.33 N ATOM 0 H LYS A 23 11.894 9.429 -1.906 1.00 0.38 H new ATOM 0 HA LYS A 23 11.002 12.082 -0.948 1.00 0.45 H new ATOM 0 HB2 LYS A 23 12.777 11.349 -3.293 1.00 0.49 H new ATOM 0 HB3 LYS A 23 11.841 12.831 -3.303 1.00 0.49 H new ATOM 0 HG2 LYS A 23 12.976 13.636 -1.301 1.00 0.56 H new ATOM 0 HG3 LYS A 23 13.799 12.103 -1.094 1.00 0.56 H new ATOM 0 HD2 LYS A 23 15.368 13.634 -2.097 1.00 0.77 H new ATOM 0 HD3 LYS A 23 14.931 12.457 -3.319 1.00 0.77 H new ATOM 0 HE2 LYS A 23 13.213 14.091 -4.199 1.00 0.99 H new ATOM 0 HE3 LYS A 23 13.805 15.272 -3.047 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 14.811 15.577 -5.210 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 15.996 15.138 -4.076 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 15.422 13.993 -5.191 1.00 1.33 H new ATOM 1096 N LYS A 24 10.103 10.528 -3.730 1.00 0.42 N ATOM 1097 CA LYS A 24 8.984 10.264 -4.645 1.00 0.45 C ATOM 1098 C LYS A 24 7.735 9.738 -3.932 1.00 0.47 C ATOM 1099 O LYS A 24 6.665 10.336 -4.041 1.00 0.77 O ATOM 1100 CB LYS A 24 9.415 9.263 -5.719 1.00 0.50 C ATOM 1101 CG LYS A 24 10.462 9.807 -6.681 1.00 0.58 C ATOM 1102 CD LYS A 24 9.851 10.776 -7.683 1.00 0.73 C ATOM 1103 CE LYS A 24 8.882 10.071 -8.622 1.00 1.14 C ATOM 1104 NZ LYS A 24 8.616 10.861 -9.852 1.00 1.36 N ATOM 0 H LYS A 24 10.990 10.133 -4.042 1.00 0.42 H new ATOM 0 HA LYS A 24 8.718 11.220 -5.096 1.00 0.45 H new ATOM 0 HB2 LYS A 24 9.810 8.371 -5.233 1.00 0.50 H new ATOM 0 HB3 LYS A 24 8.538 8.954 -6.288 1.00 0.50 H new ATOM 0 HG2 LYS A 24 11.247 10.312 -6.118 1.00 0.58 H new ATOM 0 HG3 LYS A 24 10.932 8.980 -7.213 1.00 0.58 H new ATOM 0 HD2 LYS A 24 9.329 11.571 -7.150 1.00 0.73 H new ATOM 0 HD3 LYS A 24 10.643 11.248 -8.264 1.00 0.73 H new ATOM 0 HE2 LYS A 24 9.289 9.098 -8.898 1.00 1.14 H new ATOM 0 HE3 LYS A 24 7.943 9.887 -8.101 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 7.951 10.342 -10.461 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 8.203 11.779 -9.592 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 9.507 11.015 -10.365 1.00 1.36 H new ATOM 1118 N LEU A 25 7.886 8.632 -3.198 1.00 0.40 N ATOM 1119 CA LEU A 25 6.762 7.998 -2.490 1.00 0.41 C ATOM 1120 C LEU A 25 5.962 8.988 -1.648 1.00 0.36 C ATOM 1121 O LEU A 25 4.752 8.835 -1.499 1.00 0.42 O ATOM 1122 CB LEU A 25 7.251 6.871 -1.568 1.00 0.50 C ATOM 1123 CG LEU A 25 7.943 5.690 -2.253 1.00 0.41 C ATOM 1124 CD1 LEU A 25 9.450 5.860 -2.211 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.546 4.382 -1.583 1.00 0.43 C ATOM 0 H LEU A 25 8.778 8.153 -3.076 1.00 0.40 H new ATOM 0 HA LEU A 25 6.114 7.596 -3.269 1.00 0.41 H new ATOM 0 HB2 LEU A 25 7.942 7.298 -0.841 1.00 0.50 H new ATOM 0 HB3 LEU A 25 6.396 6.490 -1.009 1.00 0.50 H new ATOM 0 HG LEU A 25 7.624 5.662 -3.295 1.00 0.41 H new ATOM 0 HD11 LEU A 25 9.926 5.011 -2.702 1.00 0.66 H new ATOM 0 HD12 LEU A 25 9.727 6.780 -2.726 1.00 0.66 H new ATOM 0 HD13 LEU A 25 9.782 5.911 -1.174 1.00 0.66 H new ATOM 0 HD21 LEU A 25 8.046 3.552 -2.081 1.00 0.43 H new ATOM 0 HD22 LEU A 25 7.841 4.406 -0.534 1.00 0.43 H new ATOM 0 HD23 LEU A 25 6.466 4.250 -1.653 1.00 0.43 H new ATOM 1137 N GLY A 26 6.643 9.999 -1.118 1.00 0.39 N ATOM 1138 CA GLY A 26 6.007 10.984 -0.260 1.00 0.48 C ATOM 1139 C GLY A 26 4.758 11.616 -0.843 1.00 0.46 C ATOM 1140 O GLY A 26 3.660 11.439 -0.311 1.00 0.69 O ATOM 0 H GLY A 26 7.639 10.155 -1.270 1.00 0.39 H new ATOM 0 HA2 GLY A 26 5.750 10.510 0.687 1.00 0.48 H new ATOM 0 HA3 GLY A 26 6.727 11.772 -0.037 1.00 0.48 H new ATOM 1144 N SER A 27 4.915 12.339 -1.934 1.00 0.37 N ATOM 1145 CA SER A 27 3.793 13.029 -2.547 1.00 0.40 C ATOM 1146 C SER A 27 3.016 12.147 -3.526 1.00 0.41 C ATOM 1147 O SER A 27 1.789 12.210 -3.564 1.00 0.45 O ATOM 1148 CB SER A 27 4.290 14.294 -3.252 1.00 0.49 C ATOM 1149 OG SER A 27 5.127 15.053 -2.394 1.00 0.78 O ATOM 0 H SER A 27 5.806 12.465 -2.415 1.00 0.37 H new ATOM 0 HA SER A 27 3.100 13.294 -1.749 1.00 0.40 H new ATOM 0 HB2 SER A 27 4.838 14.022 -4.154 1.00 0.49 H new ATOM 0 HB3 SER A 27 3.439 14.899 -3.566 1.00 0.49 H new ATOM 0 HG SER A 27 5.435 15.856 -2.864 1.00 0.78 H new ATOM 1155 N ILE A 28 3.711 11.317 -4.305 1.00 0.44 N ATOM 1156 CA ILE A 28 3.025 10.462 -5.278 1.00 0.52 C ATOM 1157 C ILE A 28 2.177 9.416 -4.570 1.00 0.51 C ATOM 1158 O ILE A 28 1.195 8.923 -5.117 1.00 0.55 O ATOM 1159 CB ILE A 28 3.999 9.773 -6.267 1.00 0.65 C ATOM 1160 CG1 ILE A 28 4.701 8.576 -5.621 1.00 1.36 C ATOM 1161 CG2 ILE A 28 5.018 10.780 -6.778 1.00 0.85 C ATOM 1162 CD1 ILE A 28 5.466 7.713 -6.603 1.00 1.52 C ATOM 0 H ILE A 28 4.726 11.218 -4.285 1.00 0.44 H new ATOM 0 HA ILE A 28 2.381 11.117 -5.864 1.00 0.52 H new ATOM 0 HB ILE A 28 3.418 9.396 -7.109 1.00 0.65 H new ATOM 0 HG12 ILE A 28 5.389 8.939 -4.858 1.00 1.36 H new ATOM 0 HG13 ILE A 28 3.958 7.961 -5.114 1.00 1.36 H new ATOM 0 HG21 ILE A 28 5.699 10.288 -7.473 1.00 0.85 H new ATOM 0 HG22 ILE A 28 4.502 11.592 -7.290 1.00 0.85 H new ATOM 0 HG23 ILE A 28 5.585 11.182 -5.938 1.00 0.85 H new ATOM 0 HD11 ILE A 28 5.936 6.886 -6.071 1.00 1.52 H new ATOM 0 HD12 ILE A 28 4.780 7.319 -7.353 1.00 1.52 H new ATOM 0 HD13 ILE A 28 6.234 8.312 -7.093 1.00 1.52 H new ATOM 1174 N GLY A 29 2.564 9.086 -3.348 1.00 0.50 N ATOM 1175 CA GLY A 29 1.814 8.128 -2.575 1.00 0.52 C ATOM 1176 C GLY A 29 0.560 8.748 -2.005 1.00 0.46 C ATOM 1177 O GLY A 29 -0.530 8.219 -2.182 1.00 0.51 O ATOM 0 H GLY A 29 3.386 9.467 -2.880 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.549 7.277 -3.203 1.00 0.52 H new ATOM 0 HA3 GLY A 29 2.434 7.745 -1.765 1.00 0.52 H new ATOM 1181 N SER A 30 0.714 9.890 -1.349 1.00 0.41 N ATOM 1182 CA SER A 30 -0.415 10.590 -0.750 1.00 0.41 C ATOM 1183 C SER A 30 -1.435 11.028 -1.809 1.00 0.39 C ATOM 1184 O SER A 30 -2.640 10.835 -1.635 1.00 0.42 O ATOM 1185 CB SER A 30 0.092 11.799 0.048 1.00 0.43 C ATOM 1186 OG SER A 30 -0.906 12.796 0.197 1.00 0.95 O ATOM 0 H SER A 30 1.613 10.353 -1.218 1.00 0.41 H new ATOM 0 HA SER A 30 -0.926 9.902 -0.076 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.425 11.470 1.032 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.959 12.227 -0.455 1.00 0.43 H new ATOM 0 HG SER A 30 -1.372 12.667 1.049 1.00 0.95 H new ATOM 1192 N ASP A 31 -0.950 11.599 -2.913 1.00 0.38 N ATOM 1193 CA ASP A 31 -1.835 12.055 -3.987 1.00 0.42 C ATOM 1194 C ASP A 31 -2.681 10.896 -4.508 1.00 0.41 C ATOM 1195 O ASP A 31 -3.884 11.036 -4.740 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.021 12.671 -5.133 1.00 0.47 C ATOM 1197 CG ASP A 31 -1.892 13.328 -6.186 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -2.405 14.435 -5.927 1.00 1.28 O ATOM 1199 OD2 ASP A 31 -2.052 12.743 -7.278 1.00 1.29 O ATOM 0 H ASP A 31 0.043 11.756 -3.087 1.00 0.38 H new ATOM 0 HA ASP A 31 -2.498 12.819 -3.582 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.331 13.410 -4.726 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -0.416 11.894 -5.601 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.045 9.737 -4.659 1.00 0.39 N ATOM 1205 CA LEU A 32 -2.724 8.541 -5.146 1.00 0.41 C ATOM 1206 C LEU A 32 -3.555 7.894 -4.044 1.00 0.38 C ATOM 1207 O LEU A 32 -4.506 7.160 -4.314 1.00 0.40 O ATOM 1208 CB LEU A 32 -1.715 7.529 -5.686 1.00 0.44 C ATOM 1209 CG LEU A 32 -1.761 7.344 -7.199 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -0.890 8.380 -7.889 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -1.336 5.940 -7.599 1.00 1.28 C ATOM 0 H LEU A 32 -1.056 9.601 -4.450 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.390 8.847 -5.953 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -0.712 7.846 -5.401 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -1.893 6.566 -5.208 1.00 0.44 H new ATOM 0 HG LEU A 32 -2.793 7.484 -7.520 1.00 0.64 H new ATOM 0 HD11 LEU A 32 -0.935 8.233 -8.968 1.00 1.09 H new ATOM 0 HD12 LEU A 32 -1.250 9.379 -7.644 1.00 1.09 H new ATOM 0 HD13 LEU A 32 0.141 8.272 -7.551 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -1.380 5.842 -8.684 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -0.316 5.758 -7.259 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -2.006 5.213 -7.141 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.177 8.165 -2.810 1.00 0.37 N ATOM 1224 CA GLY A 33 -3.882 7.620 -1.673 1.00 0.38 C ATOM 1225 C GLY A 33 -5.262 8.212 -1.541 1.00 0.35 C ATOM 1226 O GLY A 33 -6.260 7.494 -1.542 1.00 0.37 O ATOM 0 H GLY A 33 -2.384 8.761 -2.572 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -3.958 6.538 -1.776 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.313 7.815 -0.764 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.326 9.529 -1.465 1.00 0.35 N ATOM 1231 CA ALA A 34 -6.600 10.210 -1.339 1.00 0.37 C ATOM 1232 C ALA A 34 -7.458 10.006 -2.586 1.00 0.37 C ATOM 1233 O ALA A 34 -8.666 10.244 -2.573 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.381 11.678 -1.055 1.00 0.41 C ATOM 0 H ALA A 34 -4.514 10.146 -1.488 1.00 0.35 H new ATOM 0 HA ALA A 34 -7.143 9.777 -0.498 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.345 12.178 -0.963 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -5.824 11.789 -0.125 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -5.816 12.126 -1.872 1.00 0.41 H new ATOM 1240 N SER A 35 -6.830 9.567 -3.664 1.00 0.33 N ATOM 1241 CA SER A 35 -7.542 9.293 -4.895 1.00 0.35 C ATOM 1242 C SER A 35 -8.138 7.883 -4.848 1.00 0.34 C ATOM 1243 O SER A 35 -9.220 7.635 -5.383 1.00 0.38 O ATOM 1244 CB SER A 35 -6.597 9.449 -6.087 1.00 0.38 C ATOM 1245 OG SER A 35 -6.129 10.784 -6.186 1.00 0.41 O ATOM 0 H SER A 35 -5.826 9.393 -3.709 1.00 0.33 H new ATOM 0 HA SER A 35 -8.358 10.006 -5.010 1.00 0.35 H new ATOM 0 HB2 SER A 35 -5.752 8.769 -5.978 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.114 9.171 -7.006 1.00 0.38 H new ATOM 0 HG SER A 35 -5.366 10.909 -5.584 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.448 6.973 -4.157 1.00 0.35 N ATOM 1252 CA ILE A 36 -7.901 5.590 -4.040 1.00 0.39 C ATOM 1253 C ILE A 36 -9.126 5.489 -3.130 1.00 0.33 C ATOM 1254 O ILE A 36 -9.977 4.620 -3.318 1.00 0.36 O ATOM 1255 CB ILE A 36 -6.768 4.651 -3.531 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -6.968 3.230 -4.077 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -6.690 4.627 -2.000 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -6.741 3.102 -5.572 1.00 0.94 C ATOM 0 H ILE A 36 -6.574 7.171 -3.671 1.00 0.35 H new ATOM 0 HA ILE A 36 -8.182 5.260 -5.040 1.00 0.39 H new ATOM 0 HB ILE A 36 -5.822 5.047 -3.901 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -6.288 2.554 -3.558 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -7.982 2.903 -3.845 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -5.887 3.960 -1.687 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -6.491 5.633 -1.630 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -7.636 4.271 -1.593 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -6.902 2.068 -5.877 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -7.439 3.750 -6.103 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -5.719 3.396 -5.811 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.223 6.390 -2.156 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.354 6.384 -1.236 1.00 0.34 C ATOM 1272 C LYS A 37 -11.618 6.858 -1.939 1.00 0.31 C ATOM 1273 O LYS A 37 -12.700 6.331 -1.703 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.069 7.251 0.000 1.00 0.40 C ATOM 1275 CG LYS A 37 -9.983 8.744 -0.284 1.00 0.39 C ATOM 1276 CD LYS A 37 -9.725 9.552 0.976 1.00 0.47 C ATOM 1277 CE LYS A 37 -9.710 11.040 0.675 1.00 0.51 C ATOM 1278 NZ LYS A 37 -9.485 11.851 1.896 1.00 0.68 N ATOM 0 H LYS A 37 -8.538 7.127 -1.985 1.00 0.31 H new ATOM 0 HA LYS A 37 -10.506 5.358 -0.900 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -10.853 7.079 0.738 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.131 6.925 0.449 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -9.185 8.930 -1.003 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -10.912 9.079 -0.745 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -10.496 9.335 1.716 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -8.771 9.256 1.413 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -8.927 11.255 -0.052 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -10.657 11.327 0.218 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -9.482 12.861 1.646 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -10.246 11.666 2.581 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -8.569 11.596 2.318 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.470 7.840 -2.820 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.610 8.361 -3.545 1.00 0.32 C ATOM 1294 C GLY A 38 -13.077 7.404 -4.621 1.00 0.31 C ATOM 1295 O GLY A 38 -14.273 7.310 -4.905 1.00 0.34 O ATOM 0 H GLY A 38 -10.580 8.284 -3.044 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.427 8.552 -2.849 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.347 9.317 -3.998 1.00 0.32 H new ATOM 1299 N PHE A 39 -12.126 6.681 -5.203 1.00 0.39 N ATOM 1300 CA PHE A 39 -12.417 5.720 -6.257 1.00 0.45 C ATOM 1301 C PHE A 39 -13.328 4.598 -5.751 1.00 0.35 C ATOM 1302 O PHE A 39 -14.293 4.228 -6.421 1.00 0.43 O ATOM 1303 CB PHE A 39 -11.095 5.166 -6.827 1.00 0.64 C ATOM 1304 CG PHE A 39 -11.054 3.676 -7.041 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -11.622 3.102 -8.169 1.00 0.93 C ATOM 1306 CD2 PHE A 39 -10.429 2.852 -6.117 1.00 1.01 C ATOM 1307 CE1 PHE A 39 -11.567 1.736 -8.368 1.00 1.30 C ATOM 1308 CE2 PHE A 39 -10.374 1.487 -6.310 1.00 1.39 C ATOM 1309 CZ PHE A 39 -10.943 0.928 -7.435 1.00 1.48 C ATOM 0 H PHE A 39 -11.138 6.745 -4.958 1.00 0.39 H new ATOM 0 HA PHE A 39 -12.957 6.225 -7.058 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -10.896 5.658 -7.779 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -10.285 5.441 -6.151 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -12.112 3.729 -8.899 1.00 0.93 H new ATOM 0 HD2 PHE A 39 -9.980 3.284 -5.235 1.00 1.01 H new ATOM 0 HE1 PHE A 39 -12.011 1.300 -9.251 1.00 1.30 H new ATOM 0 HE2 PHE A 39 -9.886 0.857 -5.581 1.00 1.39 H new ATOM 0 HZ PHE A 39 -10.901 -0.140 -7.587 1.00 1.48 H new ATOM 1319 N LYS A 40 -13.038 4.071 -4.565 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.842 2.990 -4.005 1.00 0.30 C ATOM 1321 C LYS A 40 -15.010 3.527 -3.188 1.00 0.32 C ATOM 1322 O LYS A 40 -15.973 2.807 -2.936 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.985 2.056 -3.148 1.00 0.41 C ATOM 1324 CG LYS A 40 -13.413 0.598 -3.241 1.00 0.86 C ATOM 1325 CD LYS A 40 -12.336 -0.258 -3.889 1.00 0.94 C ATOM 1326 CE LYS A 40 -12.746 -1.720 -3.942 1.00 1.41 C ATOM 1327 NZ LYS A 40 -11.632 -2.592 -4.395 1.00 1.48 N ATOM 0 H LYS A 40 -12.260 4.371 -3.978 1.00 0.27 H new ATOM 0 HA LYS A 40 -14.247 2.422 -4.843 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.943 2.143 -3.457 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -13.037 2.378 -2.108 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -13.631 0.217 -2.243 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -14.335 0.524 -3.818 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.141 0.103 -4.899 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -11.406 -0.160 -3.330 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -13.079 -2.040 -2.954 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -13.594 -1.835 -4.617 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -11.952 -3.581 -4.417 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -11.331 -2.304 -5.348 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -10.831 -2.502 -3.737 1.00 1.48 H new ATOM 1341 N LYS A 41 -14.932 4.790 -2.783 1.00 0.28 N ATOM 1342 CA LYS A 41 -16.004 5.406 -2.008 1.00 0.35 C ATOM 1343 C LYS A 41 -17.297 5.414 -2.810 1.00 0.38 C ATOM 1344 O LYS A 41 -18.382 5.196 -2.270 1.00 0.40 O ATOM 1345 CB LYS A 41 -15.637 6.838 -1.609 1.00 0.46 C ATOM 1346 CG LYS A 41 -16.687 7.529 -0.750 1.00 0.56 C ATOM 1347 CD LYS A 41 -16.183 8.866 -0.223 1.00 0.82 C ATOM 1348 CE LYS A 41 -17.312 9.698 0.364 1.00 1.03 C ATOM 1349 NZ LYS A 41 -18.021 8.989 1.462 1.00 1.15 N ATOM 0 H LYS A 41 -14.142 5.405 -2.977 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.146 4.817 -1.102 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -14.692 6.822 -1.067 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -15.477 7.426 -2.512 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -17.593 7.685 -1.336 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -16.956 6.885 0.087 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -15.423 8.694 0.539 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -15.705 9.419 -1.031 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -16.910 10.638 0.741 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -18.023 9.949 -0.423 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -18.725 9.625 1.888 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -18.499 8.148 1.080 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -17.335 8.698 2.187 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.169 5.634 -4.111 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.327 5.676 -4.982 1.00 0.54 C ATOM 1365 C ALA A 42 -18.697 4.284 -5.484 1.00 0.55 C ATOM 1366 O ALA A 42 -19.695 4.110 -6.182 1.00 0.75 O ATOM 1367 CB ALA A 42 -18.072 6.621 -6.144 1.00 0.61 C ATOM 0 H ALA A 42 -16.277 5.785 -4.582 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.173 6.050 -4.406 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -18.948 6.645 -6.792 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -17.875 7.623 -5.762 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -17.209 6.274 -6.713 1.00 0.61 H new ATOM 1373 N MET A 43 -17.895 3.296 -5.122 1.00 0.51 N ATOM 1374 CA MET A 43 -18.151 1.922 -5.526 1.00 0.58 C ATOM 1375 C MET A 43 -18.637 1.116 -4.328 1.00 0.58 C ATOM 1376 O MET A 43 -18.137 0.030 -4.035 1.00 0.83 O ATOM 1377 CB MET A 43 -16.898 1.293 -6.142 1.00 0.76 C ATOM 1378 CG MET A 43 -16.684 1.704 -7.590 1.00 0.88 C ATOM 1379 SD MET A 43 -15.040 1.300 -8.213 1.00 0.98 S ATOM 1380 CE MET A 43 -15.023 -0.481 -8.034 1.00 1.01 C ATOM 0 H MET A 43 -17.060 3.419 -4.549 1.00 0.51 H new ATOM 0 HA MET A 43 -18.929 1.917 -6.289 1.00 0.58 H new ATOM 0 HB2 MET A 43 -16.026 1.581 -5.555 1.00 0.76 H new ATOM 0 HB3 MET A 43 -16.976 0.207 -6.085 1.00 0.76 H new ATOM 0 HG2 MET A 43 -17.432 1.214 -8.214 1.00 0.88 H new ATOM 0 HG3 MET A 43 -16.846 2.778 -7.683 1.00 0.88 H new ATOM 0 HE1 MET A 43 -14.120 -0.884 -8.493 1.00 1.01 H new ATOM 0 HE2 MET A 43 -15.039 -0.740 -6.975 1.00 1.01 H new ATOM 0 HE3 MET A 43 -15.899 -0.904 -8.525 1.00 1.01 H new ATOM 1390 N SER A 44 -19.623 1.675 -3.638 1.00 0.62 N ATOM 1391 CA SER A 44 -20.210 1.046 -2.469 1.00 0.76 C ATOM 1392 C SER A 44 -21.217 -0.025 -2.878 1.00 0.65 C ATOM 1393 O SER A 44 -22.421 0.221 -2.899 1.00 0.73 O ATOM 1394 CB SER A 44 -20.903 2.110 -1.615 1.00 1.02 C ATOM 1395 OG SER A 44 -20.641 3.412 -2.124 1.00 1.20 O ATOM 0 H SER A 44 -20.036 2.577 -3.875 1.00 0.62 H new ATOM 0 HA SER A 44 -19.418 0.569 -1.893 1.00 0.76 H new ATOM 0 HB2 SER A 44 -21.978 1.929 -1.601 1.00 1.02 H new ATOM 0 HB3 SER A 44 -20.555 2.040 -0.585 1.00 1.02 H new ATOM 0 HG SER A 44 -19.709 3.653 -1.942 1.00 1.20 H new ATOM 1401 N ASP A 45 -20.720 -1.201 -3.233 1.00 0.70 N ATOM 1402 CA ASP A 45 -21.592 -2.302 -3.627 1.00 0.76 C ATOM 1403 C ASP A 45 -21.831 -3.216 -2.431 1.00 0.90 C ATOM 1404 O ASP A 45 -22.626 -4.153 -2.495 1.00 1.22 O ATOM 1405 CB ASP A 45 -20.981 -3.090 -4.792 1.00 0.95 C ATOM 1406 CG ASP A 45 -22.034 -3.692 -5.707 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -22.634 -2.936 -6.503 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -22.252 -4.920 -5.650 1.00 1.63 O ATOM 0 H ASP A 45 -19.724 -1.418 -3.257 1.00 0.70 H new ATOM 0 HA ASP A 45 -22.546 -1.894 -3.962 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -20.335 -2.431 -5.372 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -20.351 -3.886 -4.396 1.00 0.95 H new