USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=14 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= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 22 THR OG1 : rot -12:sc= 1.02 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 77:sc= 1.28 USER MOD Single : A 30 SER OG : rot 127:sc= 1.18 USER MOD Single : A 35 SER OG : rot 78:sc= 1.25 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=-0.0364) USER MOD Single : A 43 MET CE :methyl -165:sc= -0.0673 (180deg=-0.513) USER MOD Single : A 44 SER OG : rot 120:sc= -0.557 USER MOD Single : B 8 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.21) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot 83:sc= 1.25 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 66:sc= 0.66 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+ 165:sc= -0.0186 (180deg=-0.249) USER MOD Single : B 43 MET CE :methyl 174:sc= 0 (180deg=-0.0475) USER MOD Single : B 44 SER OG : rot 165:sc= -1.78! USER MOD ----------------------------------------------------------------- ATOM 62 N ILE B 6 2.387 -14.807 3.436 1.00 0.84 N ATOM 63 CA ILE B 6 2.563 -13.679 4.348 1.00 0.73 C ATOM 64 C ILE B 6 3.942 -13.702 5.020 1.00 0.65 C ATOM 65 O ILE B 6 4.464 -12.659 5.413 1.00 0.58 O ATOM 66 CB ILE B 6 1.468 -13.677 5.440 1.00 0.78 C ATOM 67 CG1 ILE B 6 0.079 -13.886 4.818 1.00 0.90 C ATOM 68 CG2 ILE B 6 1.503 -12.381 6.240 1.00 0.74 C ATOM 69 CD1 ILE B 6 -0.345 -12.788 3.864 1.00 0.92 C ATOM 0 HA ILE B 6 2.482 -12.773 3.748 1.00 0.73 H new ATOM 0 HB ILE B 6 1.669 -14.505 6.120 1.00 0.78 H new ATOM 0 HG12 ILE B 6 0.071 -14.837 4.286 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -0.658 -13.962 5.618 1.00 0.90 H new ATOM 0 HG21 ILE B 6 0.724 -12.403 7.002 1.00 0.74 H new ATOM 0 HG22 ILE B 6 2.476 -12.275 6.719 1.00 0.74 H new ATOM 0 HG23 ILE B 6 1.334 -11.536 5.572 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -1.336 -13.012 3.469 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -0.372 -11.836 4.394 1.00 0.92 H new ATOM 0 HD13 ILE B 6 0.368 -12.725 3.042 1.00 0.92 H new ATOM 81 N TRP B 7 4.524 -14.894 5.130 1.00 0.70 N ATOM 82 CA TRP B 7 5.836 -15.076 5.753 1.00 0.69 C ATOM 83 C TRP B 7 6.883 -14.131 5.163 1.00 0.57 C ATOM 84 O TRP B 7 7.348 -13.209 5.830 1.00 0.50 O ATOM 85 CB TRP B 7 6.295 -16.524 5.577 1.00 0.80 C ATOM 86 CG TRP B 7 5.965 -17.402 6.741 1.00 0.75 C ATOM 87 CD1 TRP B 7 4.753 -17.951 7.038 1.00 0.81 C ATOM 88 CD2 TRP B 7 6.867 -17.842 7.762 1.00 0.80 C ATOM 89 NE1 TRP B 7 4.842 -18.700 8.182 1.00 0.86 N ATOM 90 CE2 TRP B 7 6.129 -18.648 8.649 1.00 0.85 C ATOM 91 CE3 TRP B 7 8.225 -17.628 8.018 1.00 0.96 C ATOM 92 CZ2 TRP B 7 6.709 -19.247 9.763 1.00 1.00 C ATOM 93 CZ3 TRP B 7 8.798 -18.221 9.123 1.00 1.14 C ATOM 94 CH2 TRP B 7 8.038 -19.021 9.988 1.00 1.14 C ATOM 0 H TRP B 7 4.103 -15.759 4.792 1.00 0.70 H new ATOM 0 HA TRP B 7 5.735 -14.842 6.813 1.00 0.69 H new ATOM 0 HB2 TRP B 7 5.834 -16.936 4.679 1.00 0.80 H new ATOM 0 HB3 TRP B 7 7.373 -16.538 5.416 1.00 0.80 H new ATOM 0 HD1 TRP B 7 3.853 -17.815 6.456 1.00 0.81 H new ATOM 0 HE1 TRP B 7 4.074 -19.213 8.616 1.00 0.86 H new ATOM 0 HE3 TRP B 7 8.816 -17.008 7.360 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 6.128 -19.870 10.428 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 9.848 -18.067 9.325 1.00 1.14 H new ATOM 0 HH2 TRP B 7 8.512 -19.468 10.849 1.00 1.14 H new ATOM 105 N GLN B 8 7.232 -14.351 3.903 1.00 0.58 N ATOM 106 CA GLN B 8 8.234 -13.531 3.238 1.00 0.51 C ATOM 107 C GLN B 8 7.741 -12.105 3.037 1.00 0.41 C ATOM 108 O GLN B 8 8.538 -11.170 2.954 1.00 0.38 O ATOM 109 CB GLN B 8 8.629 -14.152 1.900 1.00 0.58 C ATOM 110 CG GLN B 8 9.781 -15.137 2.013 1.00 0.83 C ATOM 111 CD GLN B 8 9.400 -16.407 2.752 1.00 1.13 C ATOM 112 OE1 GLN B 8 9.513 -16.489 3.974 1.00 1.57 O ATOM 113 NE2 GLN B 8 8.947 -17.405 2.013 1.00 1.28 N ATOM 0 H GLN B 8 6.836 -15.090 3.322 1.00 0.58 H new ATOM 0 HA GLN B 8 9.113 -13.492 3.881 1.00 0.51 H new ATOM 0 HB2 GLN B 8 7.765 -14.661 1.474 1.00 0.58 H new ATOM 0 HB3 GLN B 8 8.905 -13.358 1.206 1.00 0.58 H new ATOM 0 HG2 GLN B 8 10.131 -15.395 1.014 1.00 0.83 H new ATOM 0 HG3 GLN B 8 10.613 -14.658 2.529 1.00 0.83 H new ATOM 0 HE21 GLN B 8 8.869 -17.296 1.002 1.00 1.28 H new ATOM 0 HE22 GLN B 8 8.676 -18.284 2.454 1.00 1.28 H new ATOM 122 N LEU B 9 6.426 -11.942 2.973 1.00 0.43 N ATOM 123 CA LEU B 9 5.831 -10.627 2.795 1.00 0.41 C ATOM 124 C LEU B 9 6.228 -9.718 3.951 1.00 0.37 C ATOM 125 O LEU B 9 6.594 -8.562 3.751 1.00 0.37 O ATOM 126 CB LEU B 9 4.305 -10.738 2.708 1.00 0.52 C ATOM 127 CG LEU B 9 3.704 -10.487 1.323 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.852 -9.023 0.936 1.00 0.61 C ATOM 129 CD2 LEU B 9 4.352 -11.389 0.279 1.00 0.59 C ATOM 0 H LEU B 9 5.752 -12.705 3.042 1.00 0.43 H new ATOM 0 HA LEU B 9 6.199 -10.198 1.863 1.00 0.41 H new ATOM 0 HB2 LEU B 9 4.011 -11.735 3.037 1.00 0.52 H new ATOM 0 HB3 LEU B 9 3.866 -10.029 3.409 1.00 0.52 H new ATOM 0 HG LEU B 9 2.641 -10.727 1.363 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.419 -8.862 -0.051 1.00 0.61 H new ATOM 0 HD12 LEU B 9 3.334 -8.400 1.665 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.909 -8.757 0.917 1.00 0.61 H new ATOM 0 HD21 LEU B 9 3.909 -11.193 -0.697 1.00 0.59 H new ATOM 0 HD22 LEU B 9 5.423 -11.188 0.238 1.00 0.59 H new ATOM 0 HD23 LEU B 9 4.189 -12.433 0.548 1.00 0.59 H new ATOM 141 N LEU B 10 6.179 -10.259 5.160 1.00 0.39 N ATOM 142 CA LEU B 10 6.539 -9.498 6.344 1.00 0.38 C ATOM 143 C LEU B 10 8.048 -9.288 6.409 1.00 0.35 C ATOM 144 O LEU B 10 8.514 -8.209 6.765 1.00 0.34 O ATOM 145 CB LEU B 10 6.064 -10.211 7.614 1.00 0.39 C ATOM 146 CG LEU B 10 4.919 -9.527 8.364 1.00 0.43 C ATOM 147 CD1 LEU B 10 4.655 -10.238 9.681 1.00 0.49 C ATOM 148 CD2 LEU B 10 5.233 -8.056 8.601 1.00 0.42 C ATOM 0 H LEU B 10 5.894 -11.221 5.345 1.00 0.39 H new ATOM 0 HA LEU B 10 6.047 -8.528 6.279 1.00 0.38 H new ATOM 0 HB2 LEU B 10 5.749 -11.220 7.347 1.00 0.39 H new ATOM 0 HB3 LEU B 10 6.911 -10.311 8.292 1.00 0.39 H new ATOM 0 HG LEU B 10 4.020 -9.586 7.751 1.00 0.43 H new ATOM 0 HD11 LEU B 10 3.838 -9.742 10.205 1.00 0.49 H new ATOM 0 HD12 LEU B 10 4.384 -11.276 9.486 1.00 0.49 H new ATOM 0 HD13 LEU B 10 5.553 -10.207 10.298 1.00 0.49 H new ATOM 0 HD21 LEU B 10 4.406 -7.589 9.136 1.00 0.42 H new ATOM 0 HD22 LEU B 10 6.143 -7.969 9.194 1.00 0.42 H new ATOM 0 HD23 LEU B 10 5.375 -7.555 7.643 1.00 0.42 H new ATOM 160 N ILE B 11 8.798 -10.323 6.042 1.00 0.35 N ATOM 161 CA ILE B 11 10.261 -10.281 6.073 1.00 0.35 C ATOM 162 C ILE B 11 10.829 -9.083 5.296 1.00 0.31 C ATOM 163 O ILE B 11 11.681 -8.363 5.811 1.00 0.37 O ATOM 164 CB ILE B 11 10.873 -11.616 5.545 1.00 0.39 C ATOM 165 CG1 ILE B 11 11.258 -12.530 6.714 1.00 0.74 C ATOM 166 CG2 ILE B 11 12.087 -11.381 4.653 1.00 0.46 C ATOM 167 CD1 ILE B 11 10.075 -13.168 7.405 1.00 1.04 C ATOM 0 H ILE B 11 8.414 -11.210 5.716 1.00 0.35 H new ATOM 0 HA ILE B 11 10.548 -10.155 7.117 1.00 0.35 H new ATOM 0 HB ILE B 11 10.106 -12.100 4.941 1.00 0.39 H new ATOM 0 HG12 ILE B 11 11.919 -13.315 6.347 1.00 0.74 H new ATOM 0 HG13 ILE B 11 11.825 -11.952 7.444 1.00 0.74 H new ATOM 0 HG21 ILE B 11 12.478 -12.339 4.310 1.00 0.46 H new ATOM 0 HG22 ILE B 11 11.795 -10.779 3.792 1.00 0.46 H new ATOM 0 HG23 ILE B 11 12.857 -10.856 5.218 1.00 0.46 H new ATOM 0 HD11 ILE B 11 10.427 -13.800 8.220 1.00 1.04 H new ATOM 0 HD12 ILE B 11 9.424 -12.390 7.804 1.00 1.04 H new ATOM 0 HD13 ILE B 11 9.520 -13.775 6.690 1.00 1.04 H new ATOM 179 N ILE B 12 10.347 -8.854 4.078 1.00 0.25 N ATOM 180 CA ILE B 12 10.850 -7.747 3.267 1.00 0.23 C ATOM 181 C ILE B 12 10.270 -6.409 3.728 1.00 0.23 C ATOM 182 O ILE B 12 10.973 -5.394 3.761 1.00 0.21 O ATOM 183 CB ILE B 12 10.537 -7.945 1.766 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.671 -9.408 1.371 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.480 -7.111 0.917 1.00 0.26 C ATOM 186 CD1 ILE B 12 10.079 -9.723 0.015 1.00 0.32 C ATOM 0 H ILE B 12 9.618 -9.412 3.634 1.00 0.25 H new ATOM 0 HA ILE B 12 11.932 -7.735 3.401 1.00 0.23 H new ATOM 0 HB ILE B 12 9.509 -7.624 1.595 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.726 -9.681 1.370 1.00 0.27 H new ATOM 0 HG13 ILE B 12 10.183 -10.026 2.124 1.00 0.27 H new ATOM 0 HG21 ILE B 12 11.248 -7.260 -0.138 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.361 -6.057 1.169 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.509 -7.416 1.109 1.00 0.26 H new ATOM 0 HD11 ILE B 12 10.210 -10.783 -0.202 1.00 0.32 H new ATOM 0 HD12 ILE B 12 9.016 -9.482 0.017 1.00 0.32 H new ATOM 0 HD13 ILE B 12 10.584 -9.131 -0.749 1.00 0.32 H new ATOM 198 N ALA B 13 8.998 -6.416 4.108 1.00 0.26 N ATOM 199 CA ALA B 13 8.328 -5.199 4.557 1.00 0.28 C ATOM 200 C ALA B 13 8.967 -4.656 5.843 1.00 0.26 C ATOM 201 O ALA B 13 9.103 -3.444 6.014 1.00 0.26 O ATOM 202 CB ALA B 13 6.847 -5.470 4.777 1.00 0.34 C ATOM 0 H ALA B 13 8.409 -7.249 4.115 1.00 0.26 H new ATOM 0 HA ALA B 13 8.441 -4.442 3.781 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.356 -4.556 5.112 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.395 -5.803 3.843 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.727 -6.245 5.534 1.00 0.34 H new ATOM 208 N VAL B 14 9.358 -5.563 6.743 1.00 0.25 N ATOM 209 CA VAL B 14 9.982 -5.184 8.015 1.00 0.25 C ATOM 210 C VAL B 14 11.314 -4.472 7.780 1.00 0.21 C ATOM 211 O VAL B 14 11.598 -3.443 8.398 1.00 0.21 O ATOM 212 CB VAL B 14 10.209 -6.416 8.932 1.00 0.29 C ATOM 213 CG1 VAL B 14 11.207 -6.110 10.041 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.892 -6.890 9.531 1.00 0.36 C ATOM 0 H VAL B 14 9.253 -6.569 6.614 1.00 0.25 H new ATOM 0 HA VAL B 14 9.294 -4.503 8.515 1.00 0.25 H new ATOM 0 HB VAL B 14 10.624 -7.212 8.313 1.00 0.29 H new ATOM 0 HG11 VAL B 14 11.342 -6.995 10.664 1.00 0.28 H new ATOM 0 HG12 VAL B 14 12.163 -5.826 9.602 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.831 -5.290 10.653 1.00 0.28 H new ATOM 0 HG21 VAL B 14 9.073 -7.754 10.170 1.00 0.36 H new ATOM 0 HG22 VAL B 14 8.451 -6.087 10.122 1.00 0.36 H new ATOM 0 HG23 VAL B 14 8.207 -7.169 8.730 1.00 0.36 H new ATOM 224 N ILE B 15 12.118 -5.012 6.872 1.00 0.19 N ATOM 225 CA ILE B 15 13.417 -4.428 6.556 1.00 0.19 C ATOM 226 C ILE B 15 13.249 -3.016 6.005 1.00 0.18 C ATOM 227 O ILE B 15 14.085 -2.139 6.233 1.00 0.22 O ATOM 228 CB ILE B 15 14.183 -5.299 5.532 1.00 0.20 C ATOM 229 CG1 ILE B 15 14.384 -6.710 6.093 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.527 -4.671 5.186 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.920 -7.698 5.082 1.00 0.28 C ATOM 0 H ILE B 15 11.894 -5.854 6.341 1.00 0.19 H new ATOM 0 HA ILE B 15 13.995 -4.385 7.479 1.00 0.19 H new ATOM 0 HB ILE B 15 13.592 -5.361 4.618 1.00 0.20 H new ATOM 0 HG12 ILE B 15 15.071 -6.660 6.938 1.00 0.24 H new ATOM 0 HG13 ILE B 15 13.432 -7.077 6.477 1.00 0.24 H new ATOM 0 HG21 ILE B 15 16.048 -5.301 4.465 1.00 0.23 H new ATOM 0 HG22 ILE B 15 15.367 -3.682 4.756 1.00 0.23 H new ATOM 0 HG23 ILE B 15 16.130 -4.580 6.090 1.00 0.23 H new ATOM 0 HD11 ILE B 15 15.036 -8.674 5.553 1.00 0.28 H new ATOM 0 HD12 ILE B 15 14.224 -7.778 4.247 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.888 -7.355 4.716 1.00 0.28 H new ATOM 243 N VAL B 16 12.143 -2.804 5.311 1.00 0.18 N ATOM 244 CA VAL B 16 11.833 -1.515 4.709 1.00 0.21 C ATOM 245 C VAL B 16 11.700 -0.410 5.762 1.00 0.22 C ATOM 246 O VAL B 16 12.092 0.734 5.527 1.00 0.24 O ATOM 247 CB VAL B 16 10.541 -1.610 3.855 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.648 -0.377 3.996 1.00 0.26 C ATOM 249 CG2 VAL B 16 10.907 -1.842 2.401 1.00 0.28 C ATOM 0 H VAL B 16 11.434 -3.519 5.148 1.00 0.18 H new ATOM 0 HA VAL B 16 12.667 -1.249 4.059 1.00 0.21 H new ATOM 0 HB VAL B 16 9.962 -2.455 4.228 1.00 0.24 H new ATOM 0 HG11 VAL B 16 8.759 -0.499 3.377 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.351 -0.260 5.038 1.00 0.26 H new ATOM 0 HG13 VAL B 16 10.196 0.508 3.674 1.00 0.26 H new ATOM 0 HG21 VAL B 16 9.998 -1.908 1.803 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.517 -1.013 2.043 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.469 -2.772 2.311 1.00 0.28 H new ATOM 259 N VAL B 17 11.181 -0.757 6.931 1.00 0.23 N ATOM 260 CA VAL B 17 10.981 0.225 7.989 1.00 0.27 C ATOM 261 C VAL B 17 12.294 0.909 8.374 1.00 0.28 C ATOM 262 O VAL B 17 12.403 2.136 8.309 1.00 0.33 O ATOM 263 CB VAL B 17 10.338 -0.403 9.243 1.00 0.29 C ATOM 264 CG1 VAL B 17 9.870 0.687 10.199 1.00 0.35 C ATOM 265 CG2 VAL B 17 9.177 -1.305 8.851 1.00 0.30 C ATOM 0 H VAL B 17 10.892 -1.705 7.171 1.00 0.23 H new ATOM 0 HA VAL B 17 10.297 0.974 7.589 1.00 0.27 H new ATOM 0 HB VAL B 17 11.087 -1.010 9.751 1.00 0.29 H new ATOM 0 HG11 VAL B 17 9.418 0.230 11.079 1.00 0.35 H new ATOM 0 HG12 VAL B 17 10.722 1.295 10.503 1.00 0.35 H new ATOM 0 HG13 VAL B 17 9.134 1.317 9.700 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.735 -1.740 9.748 1.00 0.30 H new ATOM 0 HG22 VAL B 17 8.424 -0.720 8.322 1.00 0.30 H new ATOM 0 HG23 VAL B 17 9.539 -2.102 8.202 1.00 0.30 H new ATOM 275 N LEU B 18 13.293 0.116 8.734 1.00 0.29 N ATOM 276 CA LEU B 18 14.590 0.658 9.132 1.00 0.32 C ATOM 277 C LEU B 18 15.360 1.192 7.925 1.00 0.33 C ATOM 278 O LEU B 18 16.177 2.101 8.055 1.00 0.44 O ATOM 279 CB LEU B 18 15.425 -0.398 9.866 1.00 0.32 C ATOM 280 CG LEU B 18 15.600 -1.732 9.130 1.00 0.28 C ATOM 281 CD1 LEU B 18 17.063 -2.145 9.105 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.751 -2.816 9.781 1.00 0.24 C ATOM 0 H LEU B 18 13.234 -0.902 8.760 1.00 0.29 H new ATOM 0 HA LEU B 18 14.402 1.488 9.814 1.00 0.32 H new ATOM 0 HB2 LEU B 18 16.412 0.019 10.065 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.961 -0.595 10.833 1.00 0.32 H new ATOM 0 HG LEU B 18 15.264 -1.601 8.101 1.00 0.28 H new ATOM 0 HD11 LEU B 18 17.164 -3.094 8.578 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.648 -1.381 8.593 1.00 0.33 H new ATOM 0 HD13 LEU B 18 17.427 -2.256 10.126 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.888 -3.756 9.246 1.00 0.24 H new ATOM 0 HD22 LEU B 18 15.056 -2.942 10.820 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.701 -2.527 9.744 1.00 0.24 H new ATOM 294 N LEU B 19 15.080 0.622 6.757 1.00 0.26 N ATOM 295 CA LEU B 19 15.726 1.020 5.506 1.00 0.28 C ATOM 296 C LEU B 19 15.546 2.519 5.241 1.00 0.31 C ATOM 297 O LEU B 19 16.468 3.194 4.779 1.00 0.35 O ATOM 298 CB LEU B 19 15.139 0.216 4.337 1.00 0.24 C ATOM 299 CG LEU B 19 16.136 -0.204 3.249 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.484 -1.142 2.245 1.00 0.22 C ATOM 301 CD2 LEU B 19 16.684 1.014 2.528 1.00 0.28 C ATOM 0 H LEU B 19 14.399 -0.129 6.649 1.00 0.26 H new ATOM 0 HA LEU B 19 16.792 0.813 5.596 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.668 -0.682 4.738 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.351 0.809 3.872 1.00 0.24 H new ATOM 0 HG LEU B 19 16.957 -0.730 3.737 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.212 -1.424 1.485 1.00 0.22 H new ATOM 0 HD12 LEU B 19 15.130 -2.036 2.759 1.00 0.22 H new ATOM 0 HD13 LEU B 19 14.641 -0.639 1.771 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.389 0.696 1.760 1.00 0.28 H new ATOM 0 HD22 LEU B 19 15.864 1.561 2.063 1.00 0.28 H new ATOM 0 HD23 LEU B 19 17.193 1.661 3.242 1.00 0.28 H new ATOM 313 N PHE B 20 14.365 3.040 5.551 1.00 0.32 N ATOM 314 CA PHE B 20 14.075 4.448 5.302 1.00 0.37 C ATOM 315 C PHE B 20 13.846 5.218 6.599 1.00 0.40 C ATOM 316 O PHE B 20 13.262 6.303 6.589 1.00 0.59 O ATOM 317 CB PHE B 20 12.870 4.568 4.360 1.00 0.39 C ATOM 318 CG PHE B 20 12.836 3.470 3.344 1.00 0.34 C ATOM 319 CD1 PHE B 20 13.849 3.340 2.409 1.00 1.05 C ATOM 320 CD2 PHE B 20 11.822 2.533 3.355 1.00 0.96 C ATOM 321 CE1 PHE B 20 13.839 2.306 1.505 1.00 1.02 C ATOM 322 CE2 PHE B 20 11.820 1.489 2.454 1.00 0.97 C ATOM 323 CZ PHE B 20 12.833 1.373 1.530 1.00 0.29 C ATOM 0 H PHE B 20 13.598 2.515 5.972 1.00 0.32 H new ATOM 0 HA PHE B 20 14.944 4.899 4.822 1.00 0.37 H new ATOM 0 HB2 PHE B 20 11.950 4.548 4.945 1.00 0.39 H new ATOM 0 HB3 PHE B 20 12.903 5.531 3.851 1.00 0.39 H new ATOM 0 HD1 PHE B 20 14.655 4.059 2.390 1.00 1.05 H new ATOM 0 HD2 PHE B 20 11.023 2.619 4.076 1.00 0.96 H new ATOM 0 HE1 PHE B 20 14.627 2.227 0.771 1.00 1.02 H new ATOM 0 HE2 PHE B 20 11.022 0.761 2.474 1.00 0.97 H new ATOM 0 HZ PHE B 20 12.836 0.552 0.828 1.00 0.29 H new ATOM 333 N GLY B 21 14.304 4.643 7.709 1.00 0.30 N ATOM 334 CA GLY B 21 14.183 5.291 9.010 1.00 0.33 C ATOM 335 C GLY B 21 12.763 5.670 9.378 1.00 0.27 C ATOM 336 O GLY B 21 12.537 6.688 10.032 1.00 0.34 O ATOM 0 H GLY B 21 14.761 3.731 7.732 1.00 0.30 H new ATOM 0 HA2 GLY B 21 14.580 4.624 9.775 1.00 0.33 H new ATOM 0 HA3 GLY B 21 14.801 6.189 9.017 1.00 0.33 H new ATOM 340 N THR B 22 11.807 4.857 8.943 1.00 0.27 N ATOM 341 CA THR B 22 10.391 5.086 9.221 1.00 0.33 C ATOM 342 C THR B 22 9.876 6.410 8.618 1.00 0.42 C ATOM 343 O THR B 22 8.726 6.790 8.836 1.00 0.59 O ATOM 344 CB THR B 22 10.112 5.056 10.742 1.00 0.35 C ATOM 345 OG1 THR B 22 10.968 4.092 11.375 1.00 0.85 O ATOM 346 CG2 THR B 22 8.659 4.697 11.023 1.00 0.74 C ATOM 0 H THR B 22 11.990 4.021 8.388 1.00 0.27 H new ATOM 0 HA THR B 22 9.848 4.272 8.741 1.00 0.33 H new ATOM 0 HB THR B 22 10.311 6.050 11.143 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.789 4.078 12.338 1.00 0.85 H new ATOM 0 HG21 THR B 22 8.489 4.683 12.100 1.00 0.74 H new ATOM 0 HG22 THR B 22 8.006 5.438 10.562 1.00 0.74 H new ATOM 0 HG23 THR B 22 8.441 3.713 10.608 1.00 0.74 H new ATOM 354 N LYS B 23 10.711 7.093 7.835 1.00 0.41 N ATOM 355 CA LYS B 23 10.322 8.361 7.221 1.00 0.58 C ATOM 356 C LYS B 23 9.138 8.172 6.279 1.00 0.73 C ATOM 357 O LYS B 23 8.100 8.814 6.432 1.00 1.13 O ATOM 358 CB LYS B 23 11.500 8.961 6.448 1.00 0.57 C ATOM 359 CG LYS B 23 12.476 9.740 7.316 1.00 0.79 C ATOM 360 CD LYS B 23 13.640 10.282 6.501 1.00 0.96 C ATOM 361 CE LYS B 23 13.166 11.120 5.323 1.00 1.41 C ATOM 362 NZ LYS B 23 14.301 11.670 4.547 1.00 1.89 N ATOM 0 H LYS B 23 11.659 6.790 7.612 1.00 0.41 H new ATOM 0 HA LYS B 23 10.028 9.042 8.019 1.00 0.58 H new ATOM 0 HB2 LYS B 23 12.038 8.158 5.945 1.00 0.57 H new ATOM 0 HB3 LYS B 23 11.113 9.621 5.671 1.00 0.57 H new ATOM 0 HG2 LYS B 23 11.954 10.566 7.800 1.00 0.79 H new ATOM 0 HG3 LYS B 23 12.855 9.094 8.108 1.00 0.79 H new ATOM 0 HD2 LYS B 23 14.282 10.887 7.142 1.00 0.96 H new ATOM 0 HD3 LYS B 23 14.245 9.452 6.136 1.00 0.96 H new ATOM 0 HE2 LYS B 23 12.542 10.510 4.671 1.00 1.41 H new ATOM 0 HE3 LYS B 23 12.544 11.938 5.686 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 13.937 12.235 3.753 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 14.883 12.273 5.163 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 14.881 10.889 4.179 1.00 1.89 H new ATOM 376 N LYS B 24 9.304 7.270 5.317 1.00 0.73 N ATOM 377 CA LYS B 24 8.269 6.980 4.334 1.00 1.03 C ATOM 378 C LYS B 24 6.988 6.524 5.016 1.00 0.71 C ATOM 379 O LYS B 24 5.927 7.116 4.847 1.00 0.55 O ATOM 380 CB LYS B 24 8.756 5.884 3.367 1.00 1.60 C ATOM 381 CG LYS B 24 7.793 5.578 2.226 1.00 2.50 C ATOM 382 CD LYS B 24 6.765 4.516 2.604 1.00 3.67 C ATOM 383 CE LYS B 24 7.305 3.102 2.445 1.00 4.88 C ATOM 384 NZ LYS B 24 6.232 2.088 2.621 1.00 5.98 N ATOM 0 H LYS B 24 10.156 6.722 5.198 1.00 0.73 H new ATOM 0 HA LYS B 24 8.061 7.893 3.777 1.00 1.03 H new ATOM 0 HB2 LYS B 24 9.714 6.188 2.946 1.00 1.60 H new ATOM 0 HB3 LYS B 24 8.932 4.969 3.933 1.00 1.60 H new ATOM 0 HG2 LYS B 24 7.277 6.493 1.934 1.00 2.50 H new ATOM 0 HG3 LYS B 24 8.358 5.240 1.357 1.00 2.50 H new ATOM 0 HD2 LYS B 24 6.452 4.668 3.637 1.00 3.67 H new ATOM 0 HD3 LYS B 24 5.878 4.635 1.982 1.00 3.67 H new ATOM 0 HE2 LYS B 24 7.754 2.991 1.458 1.00 4.88 H new ATOM 0 HE3 LYS B 24 8.095 2.928 3.176 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 6.633 1.135 2.507 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 5.821 2.179 3.572 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 5.491 2.240 1.908 1.00 5.98 H new ATOM 398 N LEU B 25 7.116 5.479 5.811 1.00 0.71 N ATOM 399 CA LEU B 25 5.989 4.872 6.498 1.00 0.62 C ATOM 400 C LEU B 25 5.267 5.841 7.438 1.00 0.44 C ATOM 401 O LEU B 25 4.064 5.712 7.658 1.00 0.56 O ATOM 402 CB LEU B 25 6.480 3.648 7.261 1.00 0.76 C ATOM 403 CG LEU B 25 7.433 2.743 6.466 1.00 0.71 C ATOM 404 CD1 LEU B 25 8.868 2.939 6.928 1.00 0.86 C ATOM 405 CD2 LEU B 25 7.028 1.285 6.609 1.00 0.75 C ATOM 0 H LEU B 25 8.009 5.024 6.000 1.00 0.71 H new ATOM 0 HA LEU B 25 5.255 4.582 5.746 1.00 0.62 H new ATOM 0 HB2 LEU B 25 6.986 3.979 8.168 1.00 0.76 H new ATOM 0 HB3 LEU B 25 5.617 3.060 7.574 1.00 0.76 H new ATOM 0 HG LEU B 25 7.367 3.020 5.414 1.00 0.71 H new ATOM 0 HD11 LEU B 25 9.527 2.289 6.353 1.00 0.86 H new ATOM 0 HD12 LEU B 25 9.160 3.978 6.777 1.00 0.86 H new ATOM 0 HD13 LEU B 25 8.947 2.690 7.986 1.00 0.86 H new ATOM 0 HD21 LEU B 25 7.715 0.659 6.039 1.00 0.75 H new ATOM 0 HD22 LEU B 25 7.064 0.999 7.660 1.00 0.75 H new ATOM 0 HD23 LEU B 25 6.015 1.150 6.231 1.00 0.75 H new ATOM 417 N GLY B 26 5.995 6.805 7.984 1.00 0.42 N ATOM 418 CA GLY B 26 5.388 7.764 8.886 1.00 0.53 C ATOM 419 C GLY B 26 4.740 8.923 8.153 1.00 0.60 C ATOM 420 O GLY B 26 3.906 9.629 8.711 1.00 0.87 O ATOM 0 H GLY B 26 6.992 6.940 7.819 1.00 0.42 H new ATOM 0 HA2 GLY B 26 4.639 7.260 9.496 1.00 0.53 H new ATOM 0 HA3 GLY B 26 6.147 8.148 9.567 1.00 0.53 H new ATOM 424 N SER B 27 5.121 9.129 6.901 1.00 0.53 N ATOM 425 CA SER B 27 4.563 10.222 6.121 1.00 0.58 C ATOM 426 C SER B 27 3.436 9.747 5.200 1.00 0.51 C ATOM 427 O SER B 27 2.266 10.049 5.436 1.00 0.53 O ATOM 428 CB SER B 27 5.657 10.900 5.297 1.00 0.66 C ATOM 429 OG SER B 27 6.804 11.164 6.090 1.00 0.89 O ATOM 0 H SER B 27 5.808 8.559 6.408 1.00 0.53 H new ATOM 0 HA SER B 27 4.141 10.941 6.823 1.00 0.58 H new ATOM 0 HB2 SER B 27 5.931 10.263 4.456 1.00 0.66 H new ATOM 0 HB3 SER B 27 5.277 11.832 4.880 1.00 0.66 H new ATOM 0 HG SER B 27 7.358 10.357 6.143 1.00 0.89 H new ATOM 435 N ILE B 28 3.795 8.969 4.175 1.00 0.47 N ATOM 436 CA ILE B 28 2.826 8.465 3.196 1.00 0.44 C ATOM 437 C ILE B 28 1.802 7.551 3.876 1.00 0.42 C ATOM 438 O ILE B 28 0.661 7.413 3.421 1.00 0.41 O ATOM 439 CB ILE B 28 3.526 7.692 2.030 1.00 0.49 C ATOM 440 CG1 ILE B 28 3.148 6.204 2.023 1.00 1.16 C ATOM 441 CG2 ILE B 28 5.037 7.831 2.117 1.00 0.80 C ATOM 442 CD1 ILE B 28 3.515 5.484 0.742 1.00 1.25 C ATOM 0 H ILE B 28 4.755 8.673 4.001 1.00 0.47 H new ATOM 0 HA ILE B 28 2.317 9.330 2.772 1.00 0.44 H new ATOM 0 HB ILE B 28 3.176 8.139 1.100 1.00 0.49 H new ATOM 0 HG12 ILE B 28 3.641 5.710 2.860 1.00 1.16 H new ATOM 0 HG13 ILE B 28 2.074 6.111 2.186 1.00 1.16 H new ATOM 0 HG21 ILE B 28 5.501 7.285 1.295 1.00 0.80 H new ATOM 0 HG22 ILE B 28 5.310 8.884 2.052 1.00 0.80 H new ATOM 0 HG23 ILE B 28 5.386 7.424 3.066 1.00 0.80 H new ATOM 0 HD11 ILE B 28 3.216 4.438 0.814 1.00 1.25 H new ATOM 0 HD12 ILE B 28 3.001 5.951 -0.098 1.00 1.25 H new ATOM 0 HD13 ILE B 28 4.592 5.544 0.587 1.00 1.25 H new ATOM 454 N GLY B 29 2.225 6.951 4.985 1.00 0.46 N ATOM 455 CA GLY B 29 1.378 6.042 5.727 1.00 0.48 C ATOM 456 C GLY B 29 0.154 6.714 6.314 1.00 0.46 C ATOM 457 O GLY B 29 -0.902 6.101 6.414 1.00 0.50 O ATOM 0 H GLY B 29 3.154 7.083 5.385 1.00 0.46 H new ATOM 0 HA2 GLY B 29 1.060 5.233 5.070 1.00 0.48 H new ATOM 0 HA3 GLY B 29 1.958 5.590 6.532 1.00 0.48 H new ATOM 461 N SER B 30 0.288 7.976 6.697 1.00 0.43 N ATOM 462 CA SER B 30 -0.825 8.709 7.282 1.00 0.45 C ATOM 463 C SER B 30 -1.827 9.128 6.214 1.00 0.42 C ATOM 464 O SER B 30 -3.039 9.005 6.407 1.00 0.45 O ATOM 465 CB SER B 30 -0.317 9.934 8.042 1.00 0.47 C ATOM 466 OG SER B 30 0.384 9.547 9.209 1.00 0.94 O ATOM 0 H SER B 30 1.152 8.511 6.614 1.00 0.43 H new ATOM 0 HA SER B 30 -1.333 8.046 7.983 1.00 0.45 H new ATOM 0 HB2 SER B 30 0.337 10.522 7.398 1.00 0.47 H new ATOM 0 HB3 SER B 30 -1.157 10.574 8.312 1.00 0.47 H new ATOM 0 HG SER B 30 0.702 10.346 9.680 1.00 0.94 H new ATOM 472 N ASP B 31 -1.314 9.603 5.085 1.00 0.37 N ATOM 473 CA ASP B 31 -2.159 10.047 3.985 1.00 0.38 C ATOM 474 C ASP B 31 -2.966 8.884 3.428 1.00 0.37 C ATOM 475 O ASP B 31 -4.201 8.907 3.424 1.00 0.39 O ATOM 476 CB ASP B 31 -1.312 10.675 2.878 1.00 0.38 C ATOM 477 CG ASP B 31 -0.759 12.026 3.269 1.00 0.96 C ATOM 478 OD1 ASP B 31 -1.469 13.036 3.080 1.00 1.35 O ATOM 479 OD2 ASP B 31 0.383 12.084 3.754 1.00 1.48 O ATOM 0 H ASP B 31 -0.313 9.690 4.908 1.00 0.37 H new ATOM 0 HA ASP B 31 -2.849 10.799 4.368 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -0.488 10.006 2.632 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -1.917 10.780 1.977 1.00 0.38 H new ATOM 484 N LEU B 32 -2.268 7.853 2.976 1.00 0.36 N ATOM 485 CA LEU B 32 -2.930 6.678 2.429 1.00 0.36 C ATOM 486 C LEU B 32 -3.659 5.911 3.527 1.00 0.38 C ATOM 487 O LEU B 32 -4.595 5.163 3.254 1.00 0.40 O ATOM 488 CB LEU B 32 -1.934 5.786 1.686 1.00 0.36 C ATOM 489 CG LEU B 32 -1.712 6.180 0.222 1.00 0.38 C ATOM 490 CD1 LEU B 32 -0.236 6.332 -0.095 1.00 0.59 C ATOM 491 CD2 LEU B 32 -2.348 5.168 -0.714 1.00 0.57 C ATOM 0 H LEU B 32 -1.249 7.806 2.977 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.675 7.009 1.705 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -0.977 5.815 2.208 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.287 4.755 1.724 1.00 0.36 H new ATOM 0 HG LEU B 32 -2.192 7.147 0.069 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -0.116 6.612 -1.142 1.00 0.59 H new ATOM 0 HD12 LEU B 32 0.195 7.107 0.540 1.00 0.59 H new ATOM 0 HD13 LEU B 32 0.275 5.387 0.089 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -2.177 5.470 -1.747 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -1.905 4.187 -0.544 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -3.420 5.120 -0.523 1.00 0.57 H new ATOM 503 N GLY B 33 -3.236 6.113 4.769 1.00 0.38 N ATOM 504 CA GLY B 33 -3.894 5.465 5.889 1.00 0.39 C ATOM 505 C GLY B 33 -5.289 6.021 6.074 1.00 0.41 C ATOM 506 O GLY B 33 -6.227 5.300 6.411 1.00 0.42 O ATOM 0 H GLY B 33 -2.450 6.713 5.021 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -3.944 4.390 5.717 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.312 5.616 6.798 1.00 0.39 H new ATOM 510 N ALA B 34 -5.421 7.321 5.841 1.00 0.41 N ATOM 511 CA ALA B 34 -6.703 7.993 5.938 1.00 0.44 C ATOM 512 C ALA B 34 -7.575 7.578 4.768 1.00 0.44 C ATOM 513 O ALA B 34 -8.799 7.526 4.860 1.00 0.49 O ATOM 514 CB ALA B 34 -6.506 9.495 5.910 1.00 0.44 C ATOM 0 H ALA B 34 -4.646 7.932 5.582 1.00 0.41 H new ATOM 0 HA ALA B 34 -7.184 7.714 6.876 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.474 9.990 5.983 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -5.880 9.796 6.750 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -6.022 9.781 4.976 1.00 0.44 H new ATOM 520 N SER B 35 -6.911 7.283 3.667 1.00 0.42 N ATOM 521 CA SER B 35 -7.576 6.876 2.452 1.00 0.42 C ATOM 522 C SER B 35 -8.172 5.475 2.597 1.00 0.41 C ATOM 523 O SER B 35 -9.294 5.218 2.159 1.00 0.40 O ATOM 524 CB SER B 35 -6.578 6.917 1.299 1.00 0.43 C ATOM 525 OG SER B 35 -5.913 8.173 1.255 1.00 0.48 O ATOM 0 H SER B 35 -5.894 7.320 3.593 1.00 0.42 H new ATOM 0 HA SER B 35 -8.397 7.563 2.248 1.00 0.42 H new ATOM 0 HB2 SER B 35 -5.847 6.117 1.415 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.096 6.741 0.356 1.00 0.43 H new ATOM 0 HG SER B 35 -5.355 8.276 2.054 1.00 0.48 H new ATOM 531 N ILE B 36 -7.433 4.581 3.246 1.00 0.45 N ATOM 532 CA ILE B 36 -7.886 3.207 3.426 1.00 0.47 C ATOM 533 C ILE B 36 -9.081 3.124 4.378 1.00 0.43 C ATOM 534 O ILE B 36 -9.970 2.289 4.194 1.00 0.43 O ATOM 535 CB ILE B 36 -6.737 2.288 3.918 1.00 0.57 C ATOM 536 CG1 ILE B 36 -7.026 0.829 3.561 1.00 0.68 C ATOM 537 CG2 ILE B 36 -6.502 2.426 5.418 1.00 0.55 C ATOM 538 CD1 ILE B 36 -6.774 0.502 2.103 1.00 1.03 C ATOM 0 H ILE B 36 -6.521 4.783 3.655 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.210 2.852 2.448 1.00 0.47 H new ATOM 0 HB ILE B 36 -5.827 2.606 3.409 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -6.407 0.182 4.182 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -8.065 0.603 3.801 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -5.690 1.766 5.721 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -6.238 3.457 5.652 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -7.411 2.154 5.955 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -7.000 -0.549 1.922 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -7.412 1.124 1.475 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -5.729 0.696 1.862 1.00 1.03 H new ATOM 550 N LYS B 37 -9.121 4.006 5.372 1.00 0.42 N ATOM 551 CA LYS B 37 -10.217 4.001 6.333 1.00 0.41 C ATOM 552 C LYS B 37 -11.492 4.560 5.708 1.00 0.43 C ATOM 553 O LYS B 37 -12.596 4.226 6.135 1.00 0.55 O ATOM 554 CB LYS B 37 -9.841 4.785 7.599 1.00 0.44 C ATOM 555 CG LYS B 37 -9.904 6.295 7.444 1.00 0.46 C ATOM 556 CD LYS B 37 -9.529 7.007 8.735 1.00 0.51 C ATOM 557 CE LYS B 37 -9.545 8.518 8.558 1.00 0.58 C ATOM 558 NZ LYS B 37 -9.104 9.231 9.785 1.00 0.70 N ATOM 0 H LYS B 37 -8.416 4.725 5.532 1.00 0.42 H new ATOM 0 HA LYS B 37 -10.406 2.967 6.620 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -10.508 4.487 8.408 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -8.831 4.505 7.899 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.230 6.608 6.646 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -10.910 6.589 7.145 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -10.225 6.724 9.524 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -8.537 6.687 9.055 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -8.895 8.792 7.727 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -10.552 8.841 8.294 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -9.131 10.257 9.619 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -9.739 8.991 10.573 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -8.133 8.944 10.023 1.00 0.70 H new ATOM 572 N GLY B 38 -11.336 5.405 4.694 1.00 0.36 N ATOM 573 CA GLY B 38 -12.486 5.980 4.023 1.00 0.42 C ATOM 574 C GLY B 38 -13.034 5.057 2.957 1.00 0.44 C ATOM 575 O GLY B 38 -14.248 4.937 2.788 1.00 0.51 O ATOM 0 H GLY B 38 -10.433 5.702 4.325 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.265 6.193 4.755 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -12.205 6.931 3.571 1.00 0.42 H new ATOM 579 N PHE B 39 -12.131 4.397 2.245 1.00 0.44 N ATOM 580 CA PHE B 39 -12.513 3.472 1.187 1.00 0.52 C ATOM 581 C PHE B 39 -13.267 2.281 1.768 1.00 0.43 C ATOM 582 O PHE B 39 -14.338 1.919 1.287 1.00 0.48 O ATOM 583 CB PHE B 39 -11.259 3.020 0.412 1.00 0.70 C ATOM 584 CG PHE B 39 -11.186 1.542 0.092 1.00 0.74 C ATOM 585 CD1 PHE B 39 -12.123 0.937 -0.733 1.00 0.74 C ATOM 586 CD2 PHE B 39 -10.163 0.761 0.611 1.00 1.21 C ATOM 587 CE1 PHE B 39 -12.045 -0.410 -1.028 1.00 1.06 C ATOM 588 CE2 PHE B 39 -10.083 -0.590 0.317 1.00 1.48 C ATOM 589 CZ PHE B 39 -11.025 -1.173 -0.504 1.00 1.36 C ATOM 0 H PHE B 39 -11.124 4.486 2.382 1.00 0.44 H new ATOM 0 HA PHE B 39 -13.182 3.978 0.491 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -11.210 3.579 -0.523 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.377 3.292 0.992 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -12.925 1.528 -1.151 1.00 0.74 H new ATOM 0 HD2 PHE B 39 -9.420 1.212 1.252 1.00 1.21 H new ATOM 0 HE1 PHE B 39 -12.784 -0.865 -1.670 1.00 1.06 H new ATOM 0 HE2 PHE B 39 -9.283 -1.187 0.731 1.00 1.48 H new ATOM 0 HZ PHE B 39 -10.963 -2.226 -0.736 1.00 1.36 H new ATOM 599 N LYS B 40 -12.724 1.695 2.830 1.00 0.41 N ATOM 600 CA LYS B 40 -13.349 0.536 3.456 1.00 0.44 C ATOM 601 C LYS B 40 -14.623 0.919 4.193 1.00 0.43 C ATOM 602 O LYS B 40 -15.402 0.052 4.574 1.00 0.50 O ATOM 603 CB LYS B 40 -12.374 -0.170 4.400 1.00 0.52 C ATOM 604 CG LYS B 40 -11.302 -0.958 3.666 1.00 0.86 C ATOM 605 CD LYS B 40 -10.528 -1.878 4.593 1.00 0.97 C ATOM 606 CE LYS B 40 -9.597 -2.787 3.808 1.00 1.34 C ATOM 607 NZ LYS B 40 -8.905 -3.769 4.680 1.00 1.61 N ATOM 0 H LYS B 40 -11.858 2.001 3.273 1.00 0.41 H new ATOM 0 HA LYS B 40 -13.619 -0.157 2.660 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -11.897 0.571 5.041 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -12.931 -0.844 5.051 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -11.765 -1.548 2.875 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -10.611 -0.266 3.184 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -9.950 -1.284 5.301 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -11.224 -2.481 5.176 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -10.168 -3.319 3.047 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -8.856 -2.182 3.286 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -8.281 -4.367 4.102 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -8.339 -3.263 5.391 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -9.610 -4.365 5.159 1.00 1.61 H new ATOM 621 N LYS B 41 -14.835 2.216 4.387 1.00 0.40 N ATOM 622 CA LYS B 41 -16.034 2.687 5.059 1.00 0.45 C ATOM 623 C LYS B 41 -17.186 2.764 4.062 1.00 0.41 C ATOM 624 O LYS B 41 -18.352 2.872 4.441 1.00 0.48 O ATOM 625 CB LYS B 41 -15.800 4.051 5.712 1.00 0.53 C ATOM 626 CG LYS B 41 -16.822 4.383 6.786 1.00 0.66 C ATOM 627 CD LYS B 41 -16.546 5.731 7.425 1.00 0.77 C ATOM 628 CE LYS B 41 -17.520 6.020 8.556 1.00 0.94 C ATOM 629 NZ LYS B 41 -17.382 5.052 9.677 1.00 1.04 N ATOM 0 H LYS B 41 -14.196 2.953 4.090 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.289 1.980 5.848 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -14.802 4.070 6.150 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -15.826 4.824 4.944 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -17.821 4.385 6.350 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -16.810 3.608 7.552 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -15.526 5.752 7.808 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -16.619 6.514 6.671 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -17.352 7.031 8.928 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -18.540 5.986 8.173 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -17.869 5.423 10.518 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -17.806 4.142 9.404 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -16.374 4.913 9.894 1.00 1.04 H new ATOM 643 N ALA B 42 -16.852 2.711 2.777 1.00 0.32 N ATOM 644 CA ALA B 42 -17.865 2.750 1.734 1.00 0.29 C ATOM 645 C ALA B 42 -18.477 1.366 1.573 1.00 0.27 C ATOM 646 O ALA B 42 -19.611 1.219 1.125 1.00 0.41 O ATOM 647 CB ALA B 42 -17.279 3.252 0.408 1.00 0.31 C ATOM 0 H ALA B 42 -15.893 2.641 2.436 1.00 0.32 H new ATOM 0 HA ALA B 42 -18.645 3.453 2.026 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.061 3.270 -0.352 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -16.882 4.258 0.543 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.478 2.585 0.089 1.00 0.31 H new ATOM 653 N MET B 43 -17.727 0.355 1.990 1.00 0.37 N ATOM 654 CA MET B 43 -18.173 -1.026 1.892 1.00 0.43 C ATOM 655 C MET B 43 -18.322 -1.653 3.275 1.00 0.48 C ATOM 656 O MET B 43 -18.155 -2.859 3.439 1.00 0.72 O ATOM 657 CB MET B 43 -17.180 -1.833 1.055 1.00 0.54 C ATOM 658 CG MET B 43 -17.018 -1.305 -0.359 1.00 0.75 C ATOM 659 SD MET B 43 -15.294 -1.091 -0.831 1.00 1.39 S ATOM 660 CE MET B 43 -14.710 -2.779 -0.751 1.00 1.21 C ATOM 0 H MET B 43 -16.801 0.468 2.402 1.00 0.37 H new ATOM 0 HA MET B 43 -19.149 -1.038 1.407 1.00 0.43 H new ATOM 0 HB2 MET B 43 -16.209 -1.828 1.551 1.00 0.54 H new ATOM 0 HB3 MET B 43 -17.511 -2.871 1.012 1.00 0.54 H new ATOM 0 HG2 MET B 43 -17.498 -1.992 -1.056 1.00 0.75 H new ATOM 0 HG3 MET B 43 -17.535 -0.349 -0.447 1.00 0.75 H new ATOM 0 HE1 MET B 43 -13.685 -2.827 -1.119 1.00 1.21 H new ATOM 0 HE2 MET B 43 -14.741 -3.126 0.282 1.00 1.21 H new ATOM 0 HE3 MET B 43 -15.347 -3.414 -1.366 1.00 1.21 H new ATOM 670 N SER B 44 -18.625 -0.838 4.278 1.00 0.56 N ATOM 671 CA SER B 44 -18.796 -1.349 5.627 1.00 0.66 C ATOM 672 C SER B 44 -20.206 -1.084 6.140 1.00 0.66 C ATOM 673 O SER B 44 -20.795 -0.040 5.859 1.00 0.99 O ATOM 674 CB SER B 44 -17.759 -0.739 6.575 1.00 0.88 C ATOM 675 OG SER B 44 -17.796 0.678 6.545 1.00 1.35 O ATOM 0 H SER B 44 -18.756 0.169 4.182 1.00 0.56 H new ATOM 0 HA SER B 44 -18.643 -2.428 5.596 1.00 0.66 H new ATOM 0 HB2 SER B 44 -17.944 -1.087 7.591 1.00 0.88 H new ATOM 0 HB3 SER B 44 -16.763 -1.084 6.297 1.00 0.88 H new ATOM 0 HG SER B 44 -17.308 1.034 7.317 1.00 1.35 H new ATOM 782 N ILE A 6 2.530 -11.184 -5.667 1.00 0.84 N ATOM 783 CA ILE A 6 2.835 -10.224 -4.606 1.00 0.75 C ATOM 784 C ILE A 6 4.322 -10.262 -4.252 1.00 0.65 C ATOM 785 O ILE A 6 4.888 -9.270 -3.799 1.00 0.61 O ATOM 786 CB ILE A 6 1.989 -10.495 -3.338 1.00 0.82 C ATOM 787 CG1 ILE A 6 0.510 -10.697 -3.706 1.00 0.95 C ATOM 788 CG2 ILE A 6 2.137 -9.353 -2.341 1.00 0.79 C ATOM 789 CD1 ILE A 6 -0.146 -9.476 -4.330 1.00 0.96 C ATOM 0 HA ILE A 6 2.583 -9.233 -4.983 1.00 0.75 H new ATOM 0 HB ILE A 6 2.356 -11.410 -2.872 1.00 0.82 H new ATOM 0 HG12 ILE A 6 0.430 -11.534 -4.400 1.00 0.95 H new ATOM 0 HG13 ILE A 6 -0.042 -10.974 -2.808 1.00 0.95 H new ATOM 0 HG21 ILE A 6 1.535 -9.562 -1.457 1.00 0.79 H new ATOM 0 HG22 ILE A 6 3.184 -9.255 -2.053 1.00 0.79 H new ATOM 0 HG23 ILE A 6 1.798 -8.424 -2.799 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -1.188 -9.700 -4.560 1.00 0.96 H new ATOM 0 HD12 ILE A 6 -0.101 -8.641 -3.631 1.00 0.96 H new ATOM 0 HD13 ILE A 6 0.379 -9.210 -5.247 1.00 0.96 H new ATOM 801 N TRP A 7 4.945 -11.413 -4.479 1.00 0.64 N ATOM 802 CA TRP A 7 6.366 -11.597 -4.209 1.00 0.60 C ATOM 803 C TRP A 7 7.207 -10.538 -4.914 1.00 0.56 C ATOM 804 O TRP A 7 7.799 -9.670 -4.273 1.00 0.54 O ATOM 805 CB TRP A 7 6.807 -12.980 -4.676 1.00 0.67 C ATOM 806 CG TRP A 7 6.815 -13.997 -3.589 1.00 0.64 C ATOM 807 CD1 TRP A 7 5.737 -14.613 -3.035 1.00 0.75 C ATOM 808 CD2 TRP A 7 7.965 -14.518 -2.925 1.00 0.65 C ATOM 809 NE1 TRP A 7 6.146 -15.487 -2.061 1.00 0.78 N ATOM 810 CE2 TRP A 7 7.510 -15.444 -1.974 1.00 0.71 C ATOM 811 CE3 TRP A 7 9.336 -14.289 -3.044 1.00 0.76 C ATOM 812 CZ2 TRP A 7 8.377 -16.142 -1.143 1.00 0.82 C ATOM 813 CZ3 TRP A 7 10.199 -14.980 -2.219 1.00 0.91 C ATOM 814 CH2 TRP A 7 9.719 -15.900 -1.280 1.00 0.92 C ATOM 0 H TRP A 7 4.482 -12.241 -4.854 1.00 0.64 H new ATOM 0 HA TRP A 7 6.517 -11.500 -3.134 1.00 0.60 H new ATOM 0 HB2 TRP A 7 6.142 -13.315 -5.472 1.00 0.67 H new ATOM 0 HB3 TRP A 7 7.807 -12.909 -5.104 1.00 0.67 H new ATOM 0 HD1 TRP A 7 4.710 -14.439 -3.320 1.00 0.75 H new ATOM 0 HE1 TRP A 7 5.533 -16.073 -1.494 1.00 0.78 H new ATOM 0 HE3 TRP A 7 9.715 -13.584 -3.769 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 8.007 -16.849 -0.416 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 11.262 -14.808 -2.299 1.00 0.91 H new ATOM 0 HH2 TRP A 7 10.420 -16.429 -0.651 1.00 0.92 H new ATOM 825 N GLN A 8 7.234 -10.608 -6.239 1.00 0.57 N ATOM 826 CA GLN A 8 8.001 -9.667 -7.047 1.00 0.59 C ATOM 827 C GLN A 8 7.510 -8.239 -6.836 1.00 0.58 C ATOM 828 O GLN A 8 8.293 -7.293 -6.882 1.00 0.59 O ATOM 829 CB GLN A 8 7.908 -10.047 -8.528 1.00 0.68 C ATOM 830 CG GLN A 8 8.984 -11.025 -8.981 1.00 0.79 C ATOM 831 CD GLN A 8 8.991 -12.315 -8.182 1.00 1.06 C ATOM 832 OE1 GLN A 8 9.701 -12.437 -7.187 1.00 1.49 O ATOM 833 NE2 GLN A 8 8.196 -13.283 -8.607 1.00 1.50 N ATOM 0 H GLN A 8 6.730 -11.311 -6.780 1.00 0.57 H new ATOM 0 HA GLN A 8 9.043 -9.717 -6.732 1.00 0.59 H new ATOM 0 HB2 GLN A 8 6.928 -10.485 -8.720 1.00 0.68 H new ATOM 0 HB3 GLN A 8 7.976 -9.141 -9.131 1.00 0.68 H new ATOM 0 HG2 GLN A 8 8.834 -11.258 -10.035 1.00 0.79 H new ATOM 0 HG3 GLN A 8 9.960 -10.547 -8.896 1.00 0.79 H new ATOM 0 HE21 GLN A 8 7.621 -13.143 -9.438 1.00 1.50 H new ATOM 0 HE22 GLN A 8 8.158 -14.169 -8.104 1.00 1.50 H new ATOM 842 N LEU A 9 6.211 -8.097 -6.590 1.00 0.60 N ATOM 843 CA LEU A 9 5.610 -6.788 -6.370 1.00 0.65 C ATOM 844 C LEU A 9 6.233 -6.093 -5.161 1.00 0.58 C ATOM 845 O LEU A 9 6.527 -4.898 -5.205 1.00 0.59 O ATOM 846 CB LEU A 9 4.096 -6.919 -6.168 1.00 0.74 C ATOM 847 CG LEU A 9 3.230 -6.478 -7.352 1.00 0.94 C ATOM 848 CD1 LEU A 9 3.383 -4.985 -7.603 1.00 0.95 C ATOM 849 CD2 LEU A 9 3.575 -7.273 -8.602 1.00 1.02 C ATOM 0 H LEU A 9 5.554 -8.875 -6.538 1.00 0.60 H new ATOM 0 HA LEU A 9 5.802 -6.182 -7.255 1.00 0.65 H new ATOM 0 HB2 LEU A 9 3.867 -7.960 -5.941 1.00 0.74 H new ATOM 0 HB3 LEU A 9 3.812 -6.332 -5.295 1.00 0.74 H new ATOM 0 HG LEU A 9 2.188 -6.677 -7.102 1.00 0.94 H new ATOM 0 HD11 LEU A 9 2.760 -4.692 -8.448 1.00 0.95 H new ATOM 0 HD12 LEU A 9 3.073 -4.433 -6.715 1.00 0.95 H new ATOM 0 HD13 LEU A 9 4.426 -4.758 -7.826 1.00 0.95 H new ATOM 0 HD21 LEU A 9 2.947 -6.942 -9.429 1.00 1.02 H new ATOM 0 HD22 LEU A 9 4.623 -7.114 -8.856 1.00 1.02 H new ATOM 0 HD23 LEU A 9 3.403 -8.333 -8.418 1.00 1.02 H new ATOM 861 N LEU A 10 6.438 -6.848 -4.086 1.00 0.52 N ATOM 862 CA LEU A 10 7.024 -6.298 -2.874 1.00 0.46 C ATOM 863 C LEU A 10 8.502 -6.008 -3.079 1.00 0.41 C ATOM 864 O LEU A 10 8.993 -4.964 -2.662 1.00 0.38 O ATOM 865 CB LEU A 10 6.848 -7.264 -1.696 1.00 0.45 C ATOM 866 CG LEU A 10 6.282 -6.655 -0.407 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.840 -7.379 0.801 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.590 -5.170 -0.308 1.00 0.43 C ATOM 0 H LEU A 10 6.207 -7.840 -4.032 1.00 0.52 H new ATOM 0 HA LEU A 10 6.506 -5.367 -2.646 1.00 0.46 H new ATOM 0 HB2 LEU A 10 6.190 -8.074 -2.011 1.00 0.45 H new ATOM 0 HB3 LEU A 10 7.817 -7.710 -1.469 1.00 0.45 H new ATOM 0 HG LEU A 10 5.199 -6.773 -0.433 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.431 -6.938 1.710 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.565 -8.433 0.753 1.00 0.39 H new ATOM 0 HD13 LEU A 10 7.926 -7.288 0.810 1.00 0.39 H new ATOM 0 HD21 LEU A 10 6.174 -4.773 0.618 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.670 -5.021 -0.313 1.00 0.43 H new ATOM 0 HD23 LEU A 10 6.148 -4.649 -1.157 1.00 0.43 H new ATOM 880 N ILE A 11 9.202 -6.931 -3.731 1.00 0.41 N ATOM 881 CA ILE A 11 10.631 -6.772 -3.984 1.00 0.39 C ATOM 882 C ILE A 11 10.923 -5.438 -4.674 1.00 0.40 C ATOM 883 O ILE A 11 11.830 -4.713 -4.269 1.00 0.38 O ATOM 884 CB ILE A 11 11.197 -7.958 -4.813 1.00 0.44 C ATOM 885 CG1 ILE A 11 11.792 -9.020 -3.884 1.00 0.48 C ATOM 886 CG2 ILE A 11 12.248 -7.501 -5.820 1.00 0.64 C ATOM 887 CD1 ILE A 11 10.784 -10.022 -3.375 1.00 0.99 C ATOM 0 H ILE A 11 8.804 -7.797 -4.094 1.00 0.41 H new ATOM 0 HA ILE A 11 11.136 -6.772 -3.018 1.00 0.39 H new ATOM 0 HB ILE A 11 10.366 -8.388 -5.372 1.00 0.44 H new ATOM 0 HG12 ILE A 11 12.582 -9.552 -4.415 1.00 0.48 H new ATOM 0 HG13 ILE A 11 12.258 -8.524 -3.033 1.00 0.48 H new ATOM 0 HG21 ILE A 11 12.616 -8.362 -6.377 1.00 0.64 H new ATOM 0 HG22 ILE A 11 11.803 -6.785 -6.511 1.00 0.64 H new ATOM 0 HG23 ILE A 11 13.077 -7.029 -5.292 1.00 0.64 H new ATOM 0 HD11 ILE A 11 11.282 -10.741 -2.724 1.00 0.99 H new ATOM 0 HD12 ILE A 11 10.006 -9.503 -2.815 1.00 0.99 H new ATOM 0 HD13 ILE A 11 10.335 -10.547 -4.218 1.00 0.99 H new ATOM 899 N ILE A 12 10.136 -5.101 -5.691 1.00 0.45 N ATOM 900 CA ILE A 12 10.338 -3.847 -6.409 1.00 0.46 C ATOM 901 C ILE A 12 9.922 -2.655 -5.545 1.00 0.44 C ATOM 902 O ILE A 12 10.577 -1.612 -5.560 1.00 0.44 O ATOM 903 CB ILE A 12 9.569 -3.821 -7.749 1.00 0.53 C ATOM 904 CG1 ILE A 12 9.841 -5.106 -8.538 1.00 0.54 C ATOM 905 CG2 ILE A 12 9.978 -2.601 -8.565 1.00 0.58 C ATOM 906 CD1 ILE A 12 8.974 -5.270 -9.768 1.00 0.61 C ATOM 0 H ILE A 12 9.362 -5.670 -6.033 1.00 0.45 H new ATOM 0 HA ILE A 12 11.402 -3.773 -6.631 1.00 0.46 H new ATOM 0 HB ILE A 12 8.501 -3.759 -7.542 1.00 0.53 H new ATOM 0 HG12 ILE A 12 10.888 -5.120 -8.840 1.00 0.54 H new ATOM 0 HG13 ILE A 12 9.688 -5.962 -7.881 1.00 0.54 H new ATOM 0 HG21 ILE A 12 9.430 -2.593 -9.507 1.00 0.58 H new ATOM 0 HG22 ILE A 12 9.749 -1.695 -8.004 1.00 0.58 H new ATOM 0 HG23 ILE A 12 11.048 -2.641 -8.768 1.00 0.58 H new ATOM 0 HD11 ILE A 12 9.228 -6.203 -10.270 1.00 0.61 H new ATOM 0 HD12 ILE A 12 7.925 -5.290 -9.473 1.00 0.61 H new ATOM 0 HD13 ILE A 12 9.144 -4.435 -10.447 1.00 0.61 H new ATOM 918 N ALA A 13 8.842 -2.830 -4.782 1.00 0.44 N ATOM 919 CA ALA A 13 8.334 -1.784 -3.894 1.00 0.45 C ATOM 920 C ALA A 13 9.389 -1.382 -2.876 1.00 0.39 C ATOM 921 O ALA A 13 9.674 -0.204 -2.673 1.00 0.41 O ATOM 922 CB ALA A 13 7.095 -2.284 -3.157 1.00 0.49 C ATOM 0 H ALA A 13 8.299 -3.693 -4.762 1.00 0.44 H new ATOM 0 HA ALA A 13 8.078 -0.916 -4.502 1.00 0.45 H new ATOM 0 HB1 ALA A 13 6.723 -1.500 -2.498 1.00 0.49 H new ATOM 0 HB2 ALA A 13 6.323 -2.547 -3.880 1.00 0.49 H new ATOM 0 HB3 ALA A 13 7.353 -3.163 -2.566 1.00 0.49 H new ATOM 928 N VAL A 14 9.965 -2.396 -2.263 1.00 0.34 N ATOM 929 CA VAL A 14 10.980 -2.245 -1.236 1.00 0.29 C ATOM 930 C VAL A 14 12.201 -1.463 -1.729 1.00 0.29 C ATOM 931 O VAL A 14 12.777 -0.672 -0.982 1.00 0.31 O ATOM 932 CB VAL A 14 11.375 -3.651 -0.727 1.00 0.26 C ATOM 933 CG1 VAL A 14 12.668 -3.653 0.077 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.229 -4.226 0.094 1.00 0.27 C ATOM 0 H VAL A 14 9.737 -3.369 -2.468 1.00 0.34 H new ATOM 0 HA VAL A 14 10.566 -1.657 -0.417 1.00 0.29 H new ATOM 0 HB VAL A 14 11.563 -4.277 -1.599 1.00 0.26 H new ATOM 0 HG11 VAL A 14 12.891 -4.668 0.406 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.484 -3.286 -0.545 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.556 -3.006 0.947 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.502 -5.217 0.455 1.00 0.27 H new ATOM 0 HG22 VAL A 14 10.026 -3.573 0.943 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.337 -4.300 -0.528 1.00 0.27 H new ATOM 944 N ILE A 15 12.572 -1.648 -2.987 1.00 0.30 N ATOM 945 CA ILE A 15 13.731 -0.954 -3.537 1.00 0.32 C ATOM 946 C ILE A 15 13.393 0.479 -3.953 1.00 0.33 C ATOM 947 O ILE A 15 14.186 1.398 -3.746 1.00 0.34 O ATOM 948 CB ILE A 15 14.316 -1.700 -4.753 1.00 0.37 C ATOM 949 CG1 ILE A 15 14.557 -3.174 -4.424 1.00 0.36 C ATOM 950 CG2 ILE A 15 15.616 -1.044 -5.184 1.00 0.41 C ATOM 951 CD1 ILE A 15 14.881 -4.020 -5.637 1.00 0.42 C ATOM 0 H ILE A 15 12.094 -2.266 -3.642 1.00 0.30 H new ATOM 0 HA ILE A 15 14.473 -0.927 -2.739 1.00 0.32 H new ATOM 0 HB ILE A 15 13.596 -1.646 -5.570 1.00 0.37 H new ATOM 0 HG12 ILE A 15 15.377 -3.249 -3.710 1.00 0.36 H new ATOM 0 HG13 ILE A 15 13.670 -3.578 -3.936 1.00 0.36 H new ATOM 0 HG21 ILE A 15 16.024 -1.576 -6.043 1.00 0.41 H new ATOM 0 HG22 ILE A 15 15.427 -0.006 -5.456 1.00 0.41 H new ATOM 0 HG23 ILE A 15 16.331 -1.079 -4.362 1.00 0.41 H new ATOM 0 HD11 ILE A 15 15.040 -5.053 -5.328 1.00 0.42 H new ATOM 0 HD12 ILE A 15 14.052 -3.976 -6.343 1.00 0.42 H new ATOM 0 HD13 ILE A 15 15.785 -3.641 -6.114 1.00 0.42 H new ATOM 963 N VAL A 16 12.210 0.658 -4.522 1.00 0.35 N ATOM 964 CA VAL A 16 11.752 1.963 -4.994 1.00 0.38 C ATOM 965 C VAL A 16 11.833 3.047 -3.908 1.00 0.36 C ATOM 966 O VAL A 16 12.141 4.205 -4.197 1.00 0.38 O ATOM 967 CB VAL A 16 10.303 1.844 -5.542 1.00 0.44 C ATOM 968 CG1 VAL A 16 9.410 2.985 -5.073 1.00 0.51 C ATOM 969 CG2 VAL A 16 10.320 1.771 -7.060 1.00 0.47 C ATOM 0 H VAL A 16 11.538 -0.095 -4.671 1.00 0.35 H new ATOM 0 HA VAL A 16 12.422 2.275 -5.795 1.00 0.38 H new ATOM 0 HB VAL A 16 9.880 0.923 -5.142 1.00 0.44 H new ATOM 0 HG11 VAL A 16 8.408 2.855 -5.483 1.00 0.51 H new ATOM 0 HG12 VAL A 16 9.359 2.983 -3.984 1.00 0.51 H new ATOM 0 HG13 VAL A 16 9.822 3.934 -5.415 1.00 0.51 H new ATOM 0 HG21 VAL A 16 9.299 1.688 -7.432 1.00 0.47 H new ATOM 0 HG22 VAL A 16 10.780 2.673 -7.463 1.00 0.47 H new ATOM 0 HG23 VAL A 16 10.893 0.899 -7.376 1.00 0.47 H new ATOM 979 N VAL A 17 11.613 2.665 -2.659 1.00 0.33 N ATOM 980 CA VAL A 17 11.621 3.626 -1.565 1.00 0.33 C ATOM 981 C VAL A 17 12.975 4.309 -1.354 1.00 0.33 C ATOM 982 O VAL A 17 13.032 5.536 -1.213 1.00 0.37 O ATOM 983 CB VAL A 17 11.137 3.010 -0.253 1.00 0.33 C ATOM 984 CG1 VAL A 17 10.668 4.100 0.693 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.029 1.997 -0.490 1.00 0.35 C ATOM 0 H VAL A 17 11.428 1.702 -2.378 1.00 0.33 H new ATOM 0 HA VAL A 17 10.917 4.399 -1.872 1.00 0.33 H new ATOM 0 HB VAL A 17 11.975 2.482 0.201 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.325 3.650 1.625 1.00 0.36 H new ATOM 0 HG12 VAL A 17 11.493 4.781 0.901 1.00 0.36 H new ATOM 0 HG13 VAL A 17 9.848 4.653 0.234 1.00 0.36 H new ATOM 0 HG21 VAL A 17 9.708 1.579 0.464 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.184 2.488 -0.973 1.00 0.35 H new ATOM 0 HG23 VAL A 17 10.399 1.197 -1.131 1.00 0.35 H new ATOM 995 N LEU A 18 14.064 3.543 -1.343 1.00 0.31 N ATOM 996 CA LEU A 18 15.388 4.135 -1.135 1.00 0.34 C ATOM 997 C LEU A 18 15.869 4.845 -2.391 1.00 0.36 C ATOM 998 O LEU A 18 16.753 5.698 -2.330 1.00 0.40 O ATOM 999 CB LEU A 18 16.433 3.094 -0.705 1.00 0.34 C ATOM 1000 CG LEU A 18 16.478 1.805 -1.528 1.00 0.33 C ATOM 1001 CD1 LEU A 18 17.918 1.391 -1.748 1.00 0.39 C ATOM 1002 CD2 LEU A 18 15.716 0.689 -0.831 1.00 0.30 C ATOM 0 H LEU A 18 14.061 2.531 -1.473 1.00 0.31 H new ATOM 0 HA LEU A 18 15.279 4.858 -0.326 1.00 0.34 H new ATOM 0 HB2 LEU A 18 17.418 3.560 -0.744 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.246 2.830 0.336 1.00 0.34 H new ATOM 0 HG LEU A 18 16.002 1.992 -2.491 1.00 0.33 H new ATOM 0 HD11 LEU A 18 17.947 0.473 -2.334 1.00 0.39 H new ATOM 0 HD12 LEU A 18 18.446 2.180 -2.283 1.00 0.39 H new ATOM 0 HD13 LEU A 18 18.399 1.222 -0.785 1.00 0.39 H new ATOM 0 HD21 LEU A 18 15.763 -0.217 -1.436 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.163 0.497 0.144 1.00 0.30 H new ATOM 0 HD23 LEU A 18 14.675 0.985 -0.701 1.00 0.30 H new ATOM 1014 N LEU A 19 15.270 4.505 -3.523 1.00 0.36 N ATOM 1015 CA LEU A 19 15.650 5.105 -4.796 1.00 0.40 C ATOM 1016 C LEU A 19 15.283 6.583 -4.852 1.00 0.41 C ATOM 1017 O LEU A 19 16.030 7.395 -5.397 1.00 0.45 O ATOM 1018 CB LEU A 19 14.972 4.373 -5.962 1.00 0.41 C ATOM 1019 CG LEU A 19 15.400 2.920 -6.182 1.00 0.44 C ATOM 1020 CD1 LEU A 19 15.010 2.450 -7.576 1.00 0.47 C ATOM 1021 CD2 LEU A 19 16.892 2.756 -5.958 1.00 0.47 C ATOM 0 H LEU A 19 14.519 3.817 -3.587 1.00 0.36 H new ATOM 0 HA LEU A 19 16.732 5.012 -4.884 1.00 0.40 H new ATOM 0 HB2 LEU A 19 13.894 4.393 -5.800 1.00 0.41 H new ATOM 0 HB3 LEU A 19 15.167 4.931 -6.878 1.00 0.41 H new ATOM 0 HG LEU A 19 14.878 2.299 -5.454 1.00 0.44 H new ATOM 0 HD11 LEU A 19 15.323 1.415 -7.712 1.00 0.47 H new ATOM 0 HD12 LEU A 19 13.929 2.520 -7.694 1.00 0.47 H new ATOM 0 HD13 LEU A 19 15.498 3.078 -8.321 1.00 0.47 H new ATOM 0 HD21 LEU A 19 17.172 1.715 -6.120 1.00 0.47 H new ATOM 0 HD22 LEU A 19 17.437 3.391 -6.656 1.00 0.47 H new ATOM 0 HD23 LEU A 19 17.140 3.044 -4.936 1.00 0.47 H new ATOM 1033 N PHE A 20 14.136 6.933 -4.285 1.00 0.40 N ATOM 1034 CA PHE A 20 13.677 8.319 -4.319 1.00 0.44 C ATOM 1035 C PHE A 20 13.770 8.993 -2.956 1.00 0.47 C ATOM 1036 O PHE A 20 13.168 10.048 -2.740 1.00 0.51 O ATOM 1037 CB PHE A 20 12.241 8.377 -4.829 1.00 0.45 C ATOM 1038 CG PHE A 20 11.988 7.481 -6.005 1.00 0.46 C ATOM 1039 CD1 PHE A 20 12.747 7.597 -7.158 1.00 1.07 C ATOM 1040 CD2 PHE A 20 10.995 6.520 -5.958 1.00 1.06 C ATOM 1041 CE1 PHE A 20 12.522 6.769 -8.240 1.00 1.05 C ATOM 1042 CE2 PHE A 20 10.765 5.689 -7.036 1.00 1.12 C ATOM 1043 CZ PHE A 20 11.527 5.813 -8.180 1.00 0.53 C ATOM 0 H PHE A 20 13.512 6.287 -3.801 1.00 0.40 H new ATOM 0 HA PHE A 20 14.335 8.863 -4.997 1.00 0.44 H new ATOM 0 HB2 PHE A 20 11.565 8.101 -4.020 1.00 0.45 H new ATOM 0 HB3 PHE A 20 12.003 9.404 -5.107 1.00 0.45 H new ATOM 0 HD1 PHE A 20 13.525 8.345 -7.211 1.00 1.07 H new ATOM 0 HD2 PHE A 20 10.392 6.418 -5.068 1.00 1.06 H new ATOM 0 HE1 PHE A 20 13.123 6.869 -9.132 1.00 1.05 H new ATOM 0 HE2 PHE A 20 9.988 4.941 -6.984 1.00 1.12 H new ATOM 0 HZ PHE A 20 11.346 5.165 -9.025 1.00 0.53 H new ATOM 1053 N GLY A 21 14.516 8.384 -2.045 1.00 0.49 N ATOM 1054 CA GLY A 21 14.690 8.939 -0.711 1.00 0.55 C ATOM 1055 C GLY A 21 13.380 9.258 -0.011 1.00 0.56 C ATOM 1056 O GLY A 21 13.270 10.281 0.655 1.00 0.65 O ATOM 0 H GLY A 21 15.010 7.506 -2.206 1.00 0.49 H new ATOM 0 HA2 GLY A 21 15.255 8.232 -0.103 1.00 0.55 H new ATOM 0 HA3 GLY A 21 15.287 9.848 -0.780 1.00 0.55 H new ATOM 1060 N THR A 22 12.390 8.380 -0.185 1.00 0.54 N ATOM 1061 CA THR A 22 11.055 8.515 0.431 1.00 0.61 C ATOM 1062 C THR A 22 10.283 9.766 -0.013 1.00 0.71 C ATOM 1063 O THR A 22 9.150 9.980 0.422 1.00 1.26 O ATOM 1064 CB THR A 22 11.117 8.488 1.980 1.00 0.71 C ATOM 1065 OG1 THR A 22 11.599 9.731 2.501 1.00 1.46 O ATOM 1066 CG2 THR A 22 12.012 7.363 2.473 1.00 0.60 C ATOM 0 H THR A 22 12.487 7.545 -0.762 1.00 0.54 H new ATOM 0 HA THR A 22 10.510 7.643 0.069 1.00 0.61 H new ATOM 0 HB THR A 22 10.101 8.321 2.337 1.00 0.71 H new ATOM 0 HG1 THR A 22 11.974 10.268 1.772 1.00 1.46 H new ATOM 0 HG21 THR A 22 12.036 7.368 3.563 1.00 0.60 H new ATOM 0 HG22 THR A 22 11.621 6.407 2.124 1.00 0.60 H new ATOM 0 HG23 THR A 22 13.021 7.505 2.087 1.00 0.60 H new ATOM 1074 N LYS A 23 10.857 10.562 -0.906 1.00 0.38 N ATOM 1075 CA LYS A 23 10.203 11.788 -1.360 1.00 0.45 C ATOM 1076 C LYS A 23 9.015 11.505 -2.278 1.00 0.47 C ATOM 1077 O LYS A 23 7.934 12.063 -2.082 1.00 0.81 O ATOM 1078 CB LYS A 23 11.201 12.701 -2.074 1.00 0.49 C ATOM 1079 CG LYS A 23 12.269 13.271 -1.158 1.00 0.56 C ATOM 1080 CD LYS A 23 13.116 14.313 -1.869 1.00 0.77 C ATOM 1081 CE LYS A 23 12.321 15.567 -2.206 1.00 0.99 C ATOM 1082 NZ LYS A 23 13.200 16.655 -2.701 1.00 1.33 N ATOM 0 H LYS A 23 11.768 10.385 -1.329 1.00 0.38 H new ATOM 0 HA LYS A 23 9.824 12.290 -0.470 1.00 0.45 H new ATOM 0 HB2 LYS A 23 11.683 12.141 -2.876 1.00 0.49 H new ATOM 0 HB3 LYS A 23 10.658 13.523 -2.541 1.00 0.49 H new ATOM 0 HG2 LYS A 23 11.798 13.719 -0.283 1.00 0.56 H new ATOM 0 HG3 LYS A 23 12.909 12.465 -0.798 1.00 0.56 H new ATOM 0 HD2 LYS A 23 13.964 14.581 -1.239 1.00 0.77 H new ATOM 0 HD3 LYS A 23 13.522 13.885 -2.785 1.00 0.77 H new ATOM 0 HE2 LYS A 23 11.572 15.331 -2.962 1.00 0.99 H new ATOM 0 HE3 LYS A 23 11.784 15.907 -1.320 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 12.625 17.493 -2.921 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 13.899 16.897 -1.970 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 13.693 16.339 -3.560 1.00 1.33 H new ATOM 1096 N LYS A 24 9.208 10.641 -3.272 1.00 0.42 N ATOM 1097 CA LYS A 24 8.138 10.329 -4.217 1.00 0.45 C ATOM 1098 C LYS A 24 6.921 9.723 -3.521 1.00 0.47 C ATOM 1099 O LYS A 24 5.803 10.197 -3.710 1.00 0.77 O ATOM 1100 CB LYS A 24 8.628 9.389 -5.322 1.00 0.50 C ATOM 1101 CG LYS A 24 9.350 10.092 -6.463 1.00 0.58 C ATOM 1102 CD LYS A 24 8.433 11.058 -7.202 1.00 0.73 C ATOM 1103 CE LYS A 24 9.025 11.489 -8.535 1.00 1.14 C ATOM 1104 NZ LYS A 24 10.291 12.252 -8.366 1.00 1.36 N ATOM 0 H LYS A 24 10.085 10.149 -3.443 1.00 0.42 H new ATOM 0 HA LYS A 24 7.835 11.274 -4.668 1.00 0.45 H new ATOM 0 HB2 LYS A 24 9.298 8.649 -4.884 1.00 0.50 H new ATOM 0 HB3 LYS A 24 7.774 8.846 -5.727 1.00 0.50 H new ATOM 0 HG2 LYS A 24 10.209 10.635 -6.070 1.00 0.58 H new ATOM 0 HG3 LYS A 24 9.735 9.349 -7.162 1.00 0.58 H new ATOM 0 HD2 LYS A 24 7.466 10.585 -7.370 1.00 0.73 H new ATOM 0 HD3 LYS A 24 8.255 11.937 -6.582 1.00 0.73 H new ATOM 0 HE2 LYS A 24 9.213 10.608 -9.149 1.00 1.14 H new ATOM 0 HE3 LYS A 24 8.301 12.103 -9.071 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 10.659 12.525 -9.300 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 10.109 13.107 -7.802 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 10.992 11.658 -7.878 1.00 1.36 H new ATOM 1118 N LEU A 25 7.144 8.697 -2.707 1.00 0.40 N ATOM 1119 CA LEU A 25 6.051 8.028 -1.999 1.00 0.41 C ATOM 1120 C LEU A 25 5.297 8.988 -1.077 1.00 0.36 C ATOM 1121 O LEU A 25 4.068 8.970 -1.026 1.00 0.42 O ATOM 1122 CB LEU A 25 6.562 6.854 -1.153 1.00 0.50 C ATOM 1123 CG LEU A 25 7.653 5.983 -1.774 1.00 0.41 C ATOM 1124 CD1 LEU A 25 9.013 6.405 -1.256 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.411 4.513 -1.454 1.00 0.43 C ATOM 0 H LEU A 25 8.068 8.309 -2.519 1.00 0.40 H new ATOM 0 HA LEU A 25 5.375 7.660 -2.771 1.00 0.41 H new ATOM 0 HB2 LEU A 25 6.940 7.252 -0.211 1.00 0.50 H new ATOM 0 HB3 LEU A 25 5.713 6.215 -0.911 1.00 0.50 H new ATOM 0 HG LEU A 25 7.625 6.114 -2.856 1.00 0.41 H new ATOM 0 HD11 LEU A 25 9.784 5.778 -1.705 1.00 0.66 H new ATOM 0 HD12 LEU A 25 9.195 7.447 -1.518 1.00 0.66 H new ATOM 0 HD13 LEU A 25 9.040 6.294 -0.172 1.00 0.66 H new ATOM 0 HD21 LEU A 25 8.198 3.908 -1.905 1.00 0.43 H new ATOM 0 HD22 LEU A 25 7.417 4.370 -0.373 1.00 0.43 H new ATOM 0 HD23 LEU A 25 6.444 4.208 -1.855 1.00 0.43 H new ATOM 1137 N GLY A 26 6.040 9.830 -0.364 1.00 0.39 N ATOM 1138 CA GLY A 26 5.425 10.749 0.581 1.00 0.48 C ATOM 1139 C GLY A 26 4.632 11.861 -0.067 1.00 0.46 C ATOM 1140 O GLY A 26 3.747 12.436 0.562 1.00 0.69 O ATOM 0 H GLY A 26 7.056 9.893 -0.423 1.00 0.39 H new ATOM 0 HA2 GLY A 26 4.767 10.186 1.243 1.00 0.48 H new ATOM 0 HA3 GLY A 26 6.204 11.188 1.204 1.00 0.48 H new ATOM 1144 N SER A 27 4.938 12.180 -1.313 1.00 0.37 N ATOM 1145 CA SER A 27 4.228 13.250 -1.991 1.00 0.40 C ATOM 1146 C SER A 27 3.128 12.727 -2.907 1.00 0.41 C ATOM 1147 O SER A 27 1.947 12.950 -2.647 1.00 0.45 O ATOM 1148 CB SER A 27 5.212 14.109 -2.781 1.00 0.49 C ATOM 1149 OG SER A 27 6.392 14.315 -2.033 1.00 0.78 O ATOM 0 H SER A 27 5.661 11.722 -1.868 1.00 0.37 H new ATOM 0 HA SER A 27 3.745 13.857 -1.226 1.00 0.40 H new ATOM 0 HB2 SER A 27 5.453 13.623 -3.726 1.00 0.49 H new ATOM 0 HB3 SER A 27 4.755 15.068 -3.024 1.00 0.49 H new ATOM 0 HG SER A 27 6.946 13.508 -2.067 1.00 0.78 H new ATOM 1155 N ILE A 28 3.518 12.002 -3.960 1.00 0.44 N ATOM 1156 CA ILE A 28 2.556 11.479 -4.930 1.00 0.52 C ATOM 1157 C ILE A 28 1.623 10.456 -4.285 1.00 0.51 C ATOM 1158 O ILE A 28 0.506 10.227 -4.757 1.00 0.55 O ATOM 1159 CB ILE A 28 3.254 10.854 -6.174 1.00 0.65 C ATOM 1160 CG1 ILE A 28 3.544 9.363 -5.967 1.00 1.36 C ATOM 1161 CG2 ILE A 28 4.545 11.594 -6.494 1.00 0.85 C ATOM 1162 CD1 ILE A 28 3.767 8.614 -7.261 1.00 1.52 C ATOM 0 H ILE A 28 4.490 11.766 -4.160 1.00 0.44 H new ATOM 0 HA ILE A 28 1.966 12.329 -5.272 1.00 0.52 H new ATOM 0 HB ILE A 28 2.569 10.953 -7.016 1.00 0.65 H new ATOM 0 HG12 ILE A 28 4.426 9.255 -5.336 1.00 1.36 H new ATOM 0 HG13 ILE A 28 2.711 8.909 -5.431 1.00 1.36 H new ATOM 0 HG21 ILE A 28 5.017 11.142 -7.366 1.00 0.85 H new ATOM 0 HG22 ILE A 28 4.322 12.640 -6.704 1.00 0.85 H new ATOM 0 HG23 ILE A 28 5.221 11.531 -5.642 1.00 0.85 H new ATOM 0 HD11 ILE A 28 3.967 7.565 -7.044 1.00 1.52 H new ATOM 0 HD12 ILE A 28 2.877 8.692 -7.885 1.00 1.52 H new ATOM 0 HD13 ILE A 28 4.618 9.044 -7.788 1.00 1.52 H new ATOM 1174 N GLY A 29 2.078 9.856 -3.190 1.00 0.50 N ATOM 1175 CA GLY A 29 1.272 8.874 -2.497 1.00 0.52 C ATOM 1176 C GLY A 29 0.049 9.494 -1.858 1.00 0.46 C ATOM 1177 O GLY A 29 -1.004 8.869 -1.787 1.00 0.51 O ATOM 0 H GLY A 29 2.991 10.034 -2.772 1.00 0.50 H new ATOM 0 HA2 GLY A 29 0.961 8.100 -3.198 1.00 0.52 H new ATOM 0 HA3 GLY A 29 1.874 8.387 -1.730 1.00 0.52 H new ATOM 1181 N SER A 30 0.184 10.735 -1.418 1.00 0.41 N ATOM 1182 CA SER A 30 -0.915 11.447 -0.787 1.00 0.41 C ATOM 1183 C SER A 30 -1.961 11.837 -1.828 1.00 0.39 C ATOM 1184 O SER A 30 -3.160 11.604 -1.641 1.00 0.42 O ATOM 1185 CB SER A 30 -0.376 12.684 -0.063 1.00 0.43 C ATOM 1186 OG SER A 30 -1.419 13.467 0.488 1.00 0.95 O ATOM 0 H SER A 30 1.048 11.272 -1.487 1.00 0.41 H new ATOM 0 HA SER A 30 -1.395 10.796 -0.057 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.303 12.373 0.731 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.204 13.289 -0.760 1.00 0.43 H new ATOM 0 HG SER A 30 -1.244 13.621 1.440 1.00 0.95 H new ATOM 1192 N ASP A 31 -1.490 12.398 -2.940 1.00 0.38 N ATOM 1193 CA ASP A 31 -2.366 12.825 -4.029 1.00 0.42 C ATOM 1194 C ASP A 31 -3.151 11.641 -4.586 1.00 0.41 C ATOM 1195 O ASP A 31 -4.370 11.712 -4.761 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.546 13.480 -5.150 1.00 0.47 C ATOM 1197 CG ASP A 31 -0.900 14.789 -4.732 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -1.626 15.796 -4.583 1.00 1.29 O ATOM 1199 OD2 ASP A 31 0.334 14.817 -4.561 1.00 1.28 O ATOM 0 H ASP A 31 -0.499 12.568 -3.111 1.00 0.38 H new ATOM 0 HA ASP A 31 -3.070 13.555 -3.631 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.770 12.787 -5.476 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -2.194 13.660 -6.008 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.449 10.546 -4.853 1.00 0.39 N ATOM 1205 CA LEU A 32 -3.080 9.342 -5.382 1.00 0.41 C ATOM 1206 C LEU A 32 -3.882 8.628 -4.304 1.00 0.38 C ATOM 1207 O LEU A 32 -4.903 8.006 -4.590 1.00 0.40 O ATOM 1208 CB LEU A 32 -2.031 8.400 -5.971 1.00 0.44 C ATOM 1209 CG LEU A 32 -1.282 8.970 -7.174 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -0.105 8.086 -7.548 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -2.221 9.142 -8.364 1.00 1.28 C ATOM 0 H LEU A 32 -1.442 10.467 -4.712 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.765 9.643 -6.175 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -1.309 8.147 -5.194 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -2.519 7.471 -6.268 1.00 0.44 H new ATOM 0 HG LEU A 32 -0.897 9.951 -6.896 1.00 0.64 H new ATOM 0 HD11 LEU A 32 0.412 8.513 -8.407 1.00 1.09 H new ATOM 0 HD12 LEU A 32 0.583 8.021 -6.705 1.00 1.09 H new ATOM 0 HD13 LEU A 32 -0.465 7.088 -7.800 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -1.666 9.549 -9.209 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -2.642 8.175 -8.638 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -3.027 9.825 -8.096 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.420 8.731 -3.063 1.00 0.37 N ATOM 1224 CA GLY A 33 -4.108 8.090 -1.959 1.00 0.38 C ATOM 1225 C GLY A 33 -5.485 8.670 -1.745 1.00 0.35 C ATOM 1226 O GLY A 33 -6.469 7.941 -1.645 1.00 0.37 O ATOM 0 H GLY A 33 -2.580 9.248 -2.802 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -4.190 7.021 -2.153 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.520 8.204 -1.048 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.566 9.989 -1.704 1.00 0.35 N ATOM 1231 CA ALA A 34 -6.840 10.654 -1.508 1.00 0.37 C ATOM 1232 C ALA A 34 -7.752 10.429 -2.711 1.00 0.37 C ATOM 1233 O ALA A 34 -8.966 10.613 -2.634 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.624 12.127 -1.242 1.00 0.41 C ATOM 0 H ALA A 34 -4.768 10.617 -1.803 1.00 0.35 H new ATOM 0 HA ALA A 34 -7.334 10.225 -0.636 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.587 12.616 -1.097 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -6.016 12.250 -0.346 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -6.113 12.579 -2.092 1.00 0.41 H new ATOM 1240 N SER A 35 -7.159 10.013 -3.821 1.00 0.33 N ATOM 1241 CA SER A 35 -7.911 9.736 -5.029 1.00 0.35 C ATOM 1242 C SER A 35 -8.439 8.301 -5.000 1.00 0.34 C ATOM 1243 O SER A 35 -9.536 8.020 -5.485 1.00 0.38 O ATOM 1244 CB SER A 35 -7.029 9.954 -6.259 1.00 0.38 C ATOM 1245 OG SER A 35 -6.547 11.289 -6.304 1.00 0.41 O ATOM 0 H SER A 35 -6.154 9.860 -3.906 1.00 0.33 H new ATOM 0 HA SER A 35 -8.759 10.419 -5.083 1.00 0.35 H new ATOM 0 HB2 SER A 35 -6.189 9.260 -6.237 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.598 9.737 -7.163 1.00 0.38 H new ATOM 0 HG SER A 35 -5.802 11.389 -5.676 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.664 7.401 -4.400 1.00 0.35 N ATOM 1252 CA ILE A 36 -8.055 5.999 -4.308 1.00 0.39 C ATOM 1253 C ILE A 36 -9.243 5.831 -3.365 1.00 0.33 C ATOM 1254 O ILE A 36 -10.089 4.959 -3.566 1.00 0.36 O ATOM 1255 CB ILE A 36 -6.878 5.093 -3.847 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -7.090 3.660 -4.340 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -6.715 5.110 -2.327 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -6.889 3.494 -5.830 1.00 0.94 C ATOM 0 H ILE A 36 -6.764 7.618 -3.972 1.00 0.35 H new ATOM 0 HA ILE A 36 -8.345 5.683 -5.310 1.00 0.39 H new ATOM 0 HB ILE A 36 -5.962 5.491 -4.283 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -6.402 2.998 -3.814 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -8.100 3.342 -4.081 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -5.883 4.465 -2.043 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -6.515 6.128 -1.994 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -7.630 4.748 -1.859 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -7.056 2.453 -6.106 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -7.595 4.129 -6.365 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -5.871 3.780 -6.094 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.313 6.685 -2.348 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.398 6.617 -1.382 1.00 0.34 C ATOM 1272 C LYS A 37 -11.692 7.160 -1.978 1.00 0.31 C ATOM 1273 O LYS A 37 -12.772 6.910 -1.459 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.038 7.384 -0.105 1.00 0.40 C ATOM 1275 CG LYS A 37 -10.062 8.893 -0.267 1.00 0.39 C ATOM 1276 CD LYS A 37 -9.625 9.598 1.007 1.00 0.47 C ATOM 1277 CE LYS A 37 -9.787 11.103 0.893 1.00 0.51 C ATOM 1278 NZ LYS A 37 -9.317 11.805 2.112 1.00 0.68 N ATOM 0 H LYS A 37 -8.635 7.427 -2.174 1.00 0.31 H new ATOM 0 HA LYS A 37 -10.551 5.569 -1.125 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -10.734 7.102 0.685 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.044 7.079 0.222 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -9.405 9.182 -1.087 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -11.068 9.215 -0.535 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -10.213 9.230 1.848 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -8.583 9.358 1.218 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -9.229 11.464 0.029 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -10.836 11.343 0.718 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -9.445 12.830 1.993 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -9.866 11.480 2.933 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -8.310 11.597 2.266 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.572 7.911 -3.066 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.741 8.468 -3.716 1.00 0.32 C ATOM 1294 C GLY A 38 -13.285 7.536 -4.778 1.00 0.31 C ATOM 1295 O GLY A 38 -14.490 7.300 -4.857 1.00 0.34 O ATOM 0 H GLY A 38 -10.684 8.144 -3.510 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.513 8.663 -2.972 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.485 9.426 -4.168 1.00 0.32 H new ATOM 1299 N PHE A 39 -12.380 6.995 -5.582 1.00 0.39 N ATOM 1300 CA PHE A 39 -12.734 6.076 -6.656 1.00 0.45 C ATOM 1301 C PHE A 39 -13.417 4.820 -6.104 1.00 0.35 C ATOM 1302 O PHE A 39 -14.394 4.331 -6.673 1.00 0.43 O ATOM 1303 CB PHE A 39 -11.464 5.730 -7.458 1.00 0.64 C ATOM 1304 CG PHE A 39 -11.426 4.340 -8.032 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -12.266 3.965 -9.070 1.00 0.93 C ATOM 1306 CD2 PHE A 39 -10.537 3.405 -7.526 1.00 1.01 C ATOM 1307 CE1 PHE A 39 -12.220 2.682 -9.586 1.00 1.30 C ATOM 1308 CE2 PHE A 39 -10.486 2.124 -8.039 1.00 1.39 C ATOM 1309 CZ PHE A 39 -11.328 1.761 -9.068 1.00 1.48 C ATOM 0 H PHE A 39 -11.380 7.181 -5.508 1.00 0.39 H new ATOM 0 HA PHE A 39 -13.452 6.554 -7.323 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -11.363 6.445 -8.274 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -10.598 5.862 -6.810 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -12.963 4.681 -9.479 1.00 0.93 H new ATOM 0 HD2 PHE A 39 -9.875 3.682 -6.719 1.00 1.01 H new ATOM 0 HE1 PHE A 39 -12.880 2.400 -10.393 1.00 1.30 H new ATOM 0 HE2 PHE A 39 -9.787 1.407 -7.634 1.00 1.39 H new ATOM 0 HZ PHE A 39 -11.291 0.759 -9.469 1.00 1.48 H new ATOM 1319 N LYS A 40 -12.926 4.321 -4.977 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.492 3.120 -4.365 1.00 0.30 C ATOM 1321 C LYS A 40 -14.658 3.462 -3.442 1.00 0.32 C ATOM 1322 O LYS A 40 -15.355 2.574 -2.958 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.409 2.341 -3.619 1.00 0.41 C ATOM 1324 CG LYS A 40 -11.460 1.593 -4.547 1.00 0.86 C ATOM 1325 CD LYS A 40 -10.410 0.794 -3.791 1.00 0.94 C ATOM 1326 CE LYS A 40 -9.514 0.025 -4.751 1.00 1.41 C ATOM 1327 NZ LYS A 40 -9.128 -1.308 -4.216 1.00 1.48 N ATOM 0 H LYS A 40 -12.140 4.725 -4.468 1.00 0.27 H new ATOM 0 HA LYS A 40 -13.884 2.487 -5.161 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.834 3.031 -3.002 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -12.883 1.629 -2.944 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -12.035 0.920 -5.183 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -10.964 2.307 -5.205 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -9.805 1.466 -3.183 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -10.899 0.099 -3.108 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -10.030 -0.103 -5.703 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -8.615 0.608 -4.952 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -8.518 -1.795 -4.904 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -8.612 -1.187 -3.321 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -9.983 -1.876 -4.049 1.00 1.48 H new ATOM 1341 N LYS A 41 -14.879 4.751 -3.215 1.00 0.28 N ATOM 1342 CA LYS A 41 -15.982 5.194 -2.367 1.00 0.35 C ATOM 1343 C LYS A 41 -17.265 5.268 -3.184 1.00 0.38 C ATOM 1344 O LYS A 41 -18.362 5.374 -2.638 1.00 0.40 O ATOM 1345 CB LYS A 41 -15.679 6.563 -1.755 1.00 0.46 C ATOM 1346 CG LYS A 41 -16.652 6.982 -0.664 1.00 0.56 C ATOM 1347 CD LYS A 41 -16.376 8.394 -0.185 1.00 0.82 C ATOM 1348 CE LYS A 41 -17.378 8.834 0.871 1.00 1.03 C ATOM 1349 NZ LYS A 41 -17.223 8.080 2.143 1.00 1.15 N ATOM 0 H LYS A 41 -14.313 5.506 -3.603 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.107 4.473 -1.559 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -14.670 6.550 -1.342 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -15.690 7.313 -2.545 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -17.673 6.918 -1.041 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -16.578 6.291 0.176 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -15.367 8.449 0.225 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -16.414 9.080 -1.031 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -17.254 9.899 1.065 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -18.390 8.695 0.489 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -17.868 8.471 2.859 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -17.450 7.078 1.982 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -16.242 8.163 2.479 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.117 5.228 -4.498 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.263 5.287 -5.379 1.00 0.54 C ATOM 1365 C ALA A 42 -18.703 3.890 -5.800 1.00 0.55 C ATOM 1366 O ALA A 42 -19.835 3.690 -6.235 1.00 0.75 O ATOM 1367 CB ALA A 42 -17.953 6.136 -6.601 1.00 0.61 C ATOM 0 H ALA A 42 -16.217 5.155 -4.973 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.084 5.750 -4.832 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -18.826 6.169 -7.252 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -17.697 7.148 -6.286 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -17.113 5.701 -7.143 1.00 0.61 H new ATOM 1373 N MET A 43 -17.798 2.931 -5.679 1.00 0.51 N ATOM 1374 CA MET A 43 -18.095 1.552 -6.033 1.00 0.58 C ATOM 1375 C MET A 43 -18.193 0.725 -4.763 1.00 0.58 C ATOM 1376 O MET A 43 -17.176 0.330 -4.200 1.00 0.83 O ATOM 1377 CB MET A 43 -17.003 0.973 -6.934 1.00 0.76 C ATOM 1378 CG MET A 43 -16.850 1.678 -8.274 1.00 0.88 C ATOM 1379 SD MET A 43 -15.927 0.695 -9.477 1.00 0.98 S ATOM 1380 CE MET A 43 -14.565 0.090 -8.474 1.00 1.01 C ATOM 0 H MET A 43 -16.849 3.083 -5.337 1.00 0.51 H new ATOM 0 HA MET A 43 -19.040 1.524 -6.576 1.00 0.58 H new ATOM 0 HB2 MET A 43 -16.051 1.017 -6.404 1.00 0.76 H new ATOM 0 HB3 MET A 43 -17.219 -0.080 -7.114 1.00 0.76 H new ATOM 0 HG2 MET A 43 -17.838 1.903 -8.676 1.00 0.88 H new ATOM 0 HG3 MET A 43 -16.342 2.631 -8.123 1.00 0.88 H new ATOM 0 HE1 MET A 43 -13.781 -0.301 -9.123 1.00 1.01 H new ATOM 0 HE2 MET A 43 -14.165 0.907 -7.873 1.00 1.01 H new ATOM 0 HE3 MET A 43 -14.921 -0.703 -7.817 1.00 1.01 H new ATOM 1390 N SER A 44 -19.405 0.489 -4.299 1.00 0.62 N ATOM 1391 CA SER A 44 -19.603 -0.266 -3.075 1.00 0.76 C ATOM 1392 C SER A 44 -20.901 -1.057 -3.118 1.00 0.65 C ATOM 1393 O SER A 44 -21.977 -0.520 -2.844 1.00 0.73 O ATOM 1394 CB SER A 44 -19.629 0.686 -1.880 1.00 1.02 C ATOM 1395 OG SER A 44 -18.688 1.739 -2.031 1.00 1.20 O ATOM 0 H SER A 44 -20.264 0.807 -4.748 1.00 0.62 H new ATOM 0 HA SER A 44 -18.775 -0.968 -2.974 1.00 0.76 H new ATOM 0 HB2 SER A 44 -20.629 1.104 -1.769 1.00 1.02 H new ATOM 0 HB3 SER A 44 -19.412 0.131 -0.967 1.00 1.02 H new ATOM 0 HG SER A 44 -19.157 2.600 -2.025 1.00 1.20 H new ATOM 1401 N ASP A 45 -20.802 -2.328 -3.458 1.00 0.70 N ATOM 1402 CA ASP A 45 -21.974 -3.185 -3.519 1.00 0.76 C ATOM 1403 C ASP A 45 -21.965 -4.173 -2.360 1.00 0.90 C ATOM 1404 O ASP A 45 -22.294 -5.349 -2.523 1.00 1.22 O ATOM 1405 CB ASP A 45 -22.016 -3.927 -4.849 1.00 0.95 C ATOM 1406 CG ASP A 45 -23.434 -4.208 -5.297 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -24.329 -3.389 -4.996 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -23.654 -5.240 -5.967 1.00 1.63 O ATOM 0 H ASP A 45 -19.925 -2.791 -3.696 1.00 0.70 H new ATOM 0 HA ASP A 45 -22.866 -2.564 -3.439 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -21.506 -3.336 -5.610 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -21.472 -4.867 -4.757 1.00 0.95 H new