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=-0.00963 K(o=-0.0096,f=-3.5!) USER MOD Single : A 22 THR OG1 : rot -32:sc= -0.254 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= 0.0779 USER MOD Single : A 30 SER OG : rot 61:sc= 0.902 USER MOD Single : A 35 SER OG : rot 89:sc= 1.26 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+ 162:sc= -0.117 (180deg=-0.544) USER MOD Single : A 43 MET CE :methyl -163:sc= -0.0106 (180deg=-0.199) USER MOD Single : A 44 SER OG : rot 135:sc= 0.896 USER MOD Single : B 8 GLN : amide:sc= 0.354 K(o=0.35,f=-7.6!) USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.018) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot -160:sc= -0.604 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 80:sc= 1.22 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+ 168:sc= -0.0324 (180deg=-0.296) USER MOD Single : B 43 MET CE :methyl -132:sc= 0 (180deg=-1.1) USER MOD Single : B 44 SER OG : rot 150:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 62 N ILE B 6 1.088 -13.446 3.297 1.00 0.84 N ATOM 63 CA ILE B 6 1.529 -12.248 3.999 1.00 0.73 C ATOM 64 C ILE B 6 2.764 -12.529 4.857 1.00 0.65 C ATOM 65 O ILE B 6 3.507 -11.612 5.206 1.00 0.58 O ATOM 66 CB ILE B 6 0.388 -11.697 4.892 1.00 0.78 C ATOM 67 CG1 ILE B 6 -0.870 -11.442 4.054 1.00 0.90 C ATOM 68 CG2 ILE B 6 0.808 -10.418 5.610 1.00 0.74 C ATOM 69 CD1 ILE B 6 -0.677 -10.401 2.971 1.00 0.92 C ATOM 0 HA ILE B 6 1.794 -11.503 3.249 1.00 0.73 H new ATOM 0 HB ILE B 6 0.167 -12.450 5.648 1.00 0.78 H new ATOM 0 HG12 ILE B 6 -1.186 -12.378 3.594 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -1.677 -11.123 4.713 1.00 0.90 H new ATOM 0 HG21 ILE B 6 -0.016 -10.060 6.227 1.00 0.74 H new ATOM 0 HG22 ILE B 6 1.672 -10.623 6.242 1.00 0.74 H new ATOM 0 HG23 ILE B 6 1.068 -9.657 4.875 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -1.608 -10.273 2.419 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -0.391 -9.452 3.425 1.00 0.92 H new ATOM 0 HD13 ILE B 6 0.108 -10.727 2.288 1.00 0.92 H new ATOM 81 N TRP B 7 2.988 -13.800 5.173 1.00 0.70 N ATOM 82 CA TRP B 7 4.124 -14.206 6.002 1.00 0.69 C ATOM 83 C TRP B 7 5.442 -13.666 5.456 1.00 0.57 C ATOM 84 O TRP B 7 6.105 -12.845 6.093 1.00 0.50 O ATOM 85 CB TRP B 7 4.195 -15.731 6.097 1.00 0.80 C ATOM 86 CG TRP B 7 4.836 -16.228 7.357 1.00 0.75 C ATOM 87 CD1 TRP B 7 4.198 -16.580 8.511 1.00 0.81 C ATOM 88 CD2 TRP B 7 6.236 -16.431 7.599 1.00 0.80 C ATOM 89 NE1 TRP B 7 5.111 -16.984 9.453 1.00 0.86 N ATOM 90 CE2 TRP B 7 6.368 -16.899 8.916 1.00 0.85 C ATOM 91 CE3 TRP B 7 7.387 -16.258 6.828 1.00 0.96 C ATOM 92 CZ2 TRP B 7 7.606 -17.202 9.481 1.00 1.00 C ATOM 93 CZ3 TRP B 7 8.614 -16.556 7.390 1.00 1.14 C ATOM 94 CH2 TRP B 7 8.715 -17.024 8.703 1.00 1.14 C ATOM 0 H TRP B 7 2.396 -14.572 4.867 1.00 0.70 H new ATOM 0 HA TRP B 7 3.969 -13.785 6.995 1.00 0.69 H new ATOM 0 HB2 TRP B 7 3.186 -16.138 6.029 1.00 0.80 H new ATOM 0 HB3 TRP B 7 4.752 -16.114 5.242 1.00 0.80 H new ATOM 0 HD1 TRP B 7 3.129 -16.546 8.661 1.00 0.81 H new ATOM 0 HE1 TRP B 7 4.889 -17.296 10.398 1.00 0.86 H new ATOM 0 HE3 TRP B 7 7.320 -15.898 5.812 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 7.685 -17.564 10.495 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 9.511 -16.425 6.804 1.00 1.14 H new ATOM 0 HH2 TRP B 7 9.689 -17.249 9.111 1.00 1.14 H new ATOM 105 N GLN B 8 5.812 -14.120 4.270 1.00 0.58 N ATOM 106 CA GLN B 8 7.050 -13.692 3.642 1.00 0.51 C ATOM 107 C GLN B 8 6.957 -12.238 3.183 1.00 0.41 C ATOM 108 O GLN B 8 7.969 -11.543 3.086 1.00 0.38 O ATOM 109 CB GLN B 8 7.390 -14.597 2.454 1.00 0.58 C ATOM 110 CG GLN B 8 7.720 -16.036 2.831 1.00 0.83 C ATOM 111 CD GLN B 8 6.499 -16.940 2.864 1.00 1.13 C ATOM 112 OE1 GLN B 8 5.367 -16.480 3.010 1.00 1.57 O ATOM 113 NE2 GLN B 8 6.726 -18.237 2.734 1.00 1.28 N ATOM 0 H GLN B 8 5.270 -14.787 3.721 1.00 0.58 H new ATOM 0 HA GLN B 8 7.846 -13.768 4.383 1.00 0.51 H new ATOM 0 HB2 GLN B 8 6.547 -14.600 1.763 1.00 0.58 H new ATOM 0 HB3 GLN B 8 8.239 -14.171 1.920 1.00 0.58 H new ATOM 0 HG2 GLN B 8 8.441 -16.436 2.118 1.00 0.83 H new ATOM 0 HG3 GLN B 8 8.200 -16.048 3.810 1.00 0.83 H new ATOM 0 HE21 GLN B 8 7.680 -18.578 2.615 1.00 1.28 H new ATOM 0 HE22 GLN B 8 5.947 -18.895 2.753 1.00 1.28 H new ATOM 122 N LEU B 9 5.736 -11.782 2.915 1.00 0.43 N ATOM 123 CA LEU B 9 5.505 -10.409 2.475 1.00 0.41 C ATOM 124 C LEU B 9 5.921 -9.435 3.576 1.00 0.37 C ATOM 125 O LEU B 9 6.472 -8.367 3.309 1.00 0.37 O ATOM 126 CB LEU B 9 4.020 -10.216 2.126 1.00 0.52 C ATOM 127 CG LEU B 9 3.721 -9.548 0.779 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.802 -8.034 0.904 1.00 0.61 C ATOM 129 CD2 LEU B 9 4.668 -10.059 -0.302 1.00 0.59 C ATOM 0 H LEU B 9 4.889 -12.345 2.995 1.00 0.43 H new ATOM 0 HA LEU B 9 6.104 -10.211 1.586 1.00 0.41 H new ATOM 0 HB2 LEU B 9 3.536 -11.192 2.139 1.00 0.52 H new ATOM 0 HB3 LEU B 9 3.558 -9.621 2.913 1.00 0.52 H new ATOM 0 HG LEU B 9 2.705 -9.810 0.484 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.587 -7.577 -0.062 1.00 0.61 H new ATOM 0 HD12 LEU B 9 3.074 -7.690 1.638 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.804 -7.749 1.225 1.00 0.61 H new ATOM 0 HD21 LEU B 9 4.437 -9.571 -1.249 1.00 0.59 H new ATOM 0 HD22 LEU B 9 5.697 -9.835 -0.020 1.00 0.59 H new ATOM 0 HD23 LEU B 9 4.548 -11.137 -0.411 1.00 0.59 H new ATOM 141 N LEU B 10 5.672 -9.840 4.816 1.00 0.39 N ATOM 142 CA LEU B 10 6.012 -9.038 5.983 1.00 0.38 C ATOM 143 C LEU B 10 7.519 -8.839 6.093 1.00 0.35 C ATOM 144 O LEU B 10 7.982 -7.748 6.412 1.00 0.34 O ATOM 145 CB LEU B 10 5.499 -9.721 7.256 1.00 0.39 C ATOM 146 CG LEU B 10 4.451 -8.947 8.060 1.00 0.43 C ATOM 147 CD1 LEU B 10 4.179 -9.648 9.380 1.00 0.49 C ATOM 148 CD2 LEU B 10 4.903 -7.514 8.308 1.00 0.42 C ATOM 0 H LEU B 10 5.230 -10.732 5.039 1.00 0.39 H new ATOM 0 HA LEU B 10 5.538 -8.063 5.869 1.00 0.38 H new ATOM 0 HB2 LEU B 10 5.075 -10.687 6.980 1.00 0.39 H new ATOM 0 HB3 LEU B 10 6.351 -9.920 7.906 1.00 0.39 H new ATOM 0 HG LEU B 10 3.530 -8.917 7.478 1.00 0.43 H new ATOM 0 HD11 LEU B 10 3.432 -9.088 9.942 1.00 0.49 H new ATOM 0 HD12 LEU B 10 3.808 -10.655 9.188 1.00 0.49 H new ATOM 0 HD13 LEU B 10 5.101 -9.705 9.958 1.00 0.49 H new ATOM 0 HD21 LEU B 10 4.141 -6.986 8.881 1.00 0.42 H new ATOM 0 HD22 LEU B 10 5.839 -7.519 8.867 1.00 0.42 H new ATOM 0 HD23 LEU B 10 5.054 -7.010 7.354 1.00 0.42 H new ATOM 160 N ILE B 11 8.269 -9.896 5.797 1.00 0.35 N ATOM 161 CA ILE B 11 9.731 -9.879 5.889 1.00 0.35 C ATOM 162 C ILE B 11 10.357 -8.691 5.156 1.00 0.31 C ATOM 163 O ILE B 11 11.082 -7.898 5.758 1.00 0.37 O ATOM 164 CB ILE B 11 10.337 -11.192 5.341 1.00 0.39 C ATOM 165 CG1 ILE B 11 9.758 -12.398 6.091 1.00 0.74 C ATOM 166 CG2 ILE B 11 11.857 -11.170 5.457 1.00 0.46 C ATOM 167 CD1 ILE B 11 10.227 -13.734 5.554 1.00 1.04 C ATOM 0 H ILE B 11 7.885 -10.788 5.487 1.00 0.35 H new ATOM 0 HA ILE B 11 9.964 -9.780 6.949 1.00 0.35 H new ATOM 0 HB ILE B 11 10.076 -11.280 4.286 1.00 0.39 H new ATOM 0 HG12 ILE B 11 10.030 -12.324 7.144 1.00 0.74 H new ATOM 0 HG13 ILE B 11 8.670 -12.358 6.040 1.00 0.74 H new ATOM 0 HG21 ILE B 11 12.265 -12.102 5.066 1.00 0.46 H new ATOM 0 HG22 ILE B 11 12.254 -10.332 4.884 1.00 0.46 H new ATOM 0 HG23 ILE B 11 12.140 -11.060 6.504 1.00 0.46 H new ATOM 0 HD11 ILE B 11 9.775 -14.538 6.135 1.00 1.04 H new ATOM 0 HD12 ILE B 11 9.931 -13.830 4.509 1.00 1.04 H new ATOM 0 HD13 ILE B 11 11.313 -13.796 5.631 1.00 1.04 H new ATOM 179 N ILE B 12 10.065 -8.558 3.866 1.00 0.25 N ATOM 180 CA ILE B 12 10.638 -7.479 3.064 1.00 0.23 C ATOM 181 C ILE B 12 10.126 -6.114 3.513 1.00 0.23 C ATOM 182 O ILE B 12 10.888 -5.149 3.573 1.00 0.21 O ATOM 183 CB ILE B 12 10.349 -7.644 1.554 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.235 -9.111 1.170 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.462 -7.005 0.745 1.00 0.26 C ATOM 186 CD1 ILE B 12 9.579 -9.328 -0.176 1.00 0.32 C ATOM 0 H ILE B 12 9.439 -9.180 3.354 1.00 0.25 H new ATOM 0 HA ILE B 12 11.715 -7.538 3.221 1.00 0.23 H new ATOM 0 HB ILE B 12 9.399 -7.154 1.340 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.231 -9.554 1.157 1.00 0.27 H new ATOM 0 HG13 ILE B 12 9.662 -9.636 1.934 1.00 0.27 H new ATOM 0 HG21 ILE B 12 11.253 -7.124 -0.318 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.524 -5.944 0.986 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.409 -7.487 0.985 1.00 0.26 H new ATOM 0 HD11 ILE B 12 9.529 -10.396 -0.389 1.00 0.32 H new ATOM 0 HD12 ILE B 12 8.571 -8.914 -0.160 1.00 0.32 H new ATOM 0 HD13 ILE B 12 10.164 -8.831 -0.950 1.00 0.32 H new ATOM 198 N ALA B 13 8.841 -6.042 3.835 1.00 0.26 N ATOM 199 CA ALA B 13 8.229 -4.791 4.274 1.00 0.28 C ATOM 200 C ALA B 13 8.836 -4.320 5.605 1.00 0.26 C ATOM 201 O ALA B 13 9.029 -3.125 5.822 1.00 0.26 O ATOM 202 CB ALA B 13 6.726 -4.968 4.403 1.00 0.34 C ATOM 0 H ALA B 13 8.200 -6.835 3.801 1.00 0.26 H new ATOM 0 HA ALA B 13 8.431 -4.024 3.526 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.276 -4.031 4.731 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.309 -5.252 3.437 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.513 -5.748 5.134 1.00 0.34 H new ATOM 208 N VAL B 14 9.128 -5.276 6.491 1.00 0.25 N ATOM 209 CA VAL B 14 9.724 -4.981 7.795 1.00 0.25 C ATOM 210 C VAL B 14 11.094 -4.326 7.620 1.00 0.21 C ATOM 211 O VAL B 14 11.396 -3.315 8.256 1.00 0.21 O ATOM 212 CB VAL B 14 9.862 -6.266 8.662 1.00 0.29 C ATOM 213 CG1 VAL B 14 10.869 -6.084 9.793 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.513 -6.673 9.231 1.00 0.36 C ATOM 0 H VAL B 14 8.959 -6.268 6.326 1.00 0.25 H new ATOM 0 HA VAL B 14 9.058 -4.290 8.312 1.00 0.25 H new ATOM 0 HB VAL B 14 10.231 -7.057 8.009 1.00 0.29 H new ATOM 0 HG11 VAL B 14 10.935 -7.004 10.373 1.00 0.28 H new ATOM 0 HG12 VAL B 14 11.848 -5.848 9.375 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.546 -5.269 10.441 1.00 0.28 H new ATOM 0 HG21 VAL B 14 8.629 -7.573 9.834 1.00 0.36 H new ATOM 0 HG22 VAL B 14 8.122 -5.867 9.853 1.00 0.36 H new ATOM 0 HG23 VAL B 14 7.818 -6.871 8.415 1.00 0.36 H new ATOM 224 N ILE B 15 11.907 -4.889 6.734 1.00 0.19 N ATOM 225 CA ILE B 15 13.240 -4.356 6.477 1.00 0.19 C ATOM 226 C ILE B 15 13.144 -2.923 5.953 1.00 0.18 C ATOM 227 O ILE B 15 13.976 -2.068 6.261 1.00 0.22 O ATOM 228 CB ILE B 15 14.008 -5.234 5.466 1.00 0.20 C ATOM 229 CG1 ILE B 15 14.058 -6.688 5.946 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.420 -4.702 5.257 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.551 -7.658 4.894 1.00 0.28 C ATOM 0 H ILE B 15 11.668 -5.713 6.182 1.00 0.19 H new ATOM 0 HA ILE B 15 13.789 -4.360 7.418 1.00 0.19 H new ATOM 0 HB ILE B 15 13.479 -5.198 4.514 1.00 0.20 H new ATOM 0 HG12 ILE B 15 14.708 -6.751 6.819 1.00 0.24 H new ATOM 0 HG13 ILE B 15 13.061 -6.990 6.268 1.00 0.24 H new ATOM 0 HG21 ILE B 15 15.945 -5.335 4.541 1.00 0.23 H new ATOM 0 HG22 ILE B 15 15.372 -3.683 4.874 1.00 0.23 H new ATOM 0 HG23 ILE B 15 15.955 -4.707 6.207 1.00 0.23 H new ATOM 0 HD11 ILE B 15 14.560 -8.667 5.305 1.00 0.28 H new ATOM 0 HD12 ILE B 15 13.889 -7.624 4.029 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.560 -7.382 4.589 1.00 0.28 H new ATOM 243 N VAL B 16 12.096 -2.667 5.182 1.00 0.18 N ATOM 244 CA VAL B 16 11.848 -1.354 4.606 1.00 0.21 C ATOM 245 C VAL B 16 11.642 -0.291 5.693 1.00 0.22 C ATOM 246 O VAL B 16 12.080 0.852 5.547 1.00 0.24 O ATOM 247 CB VAL B 16 10.625 -1.420 3.656 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.775 -0.155 3.698 1.00 0.26 C ATOM 249 CG2 VAL B 16 11.100 -1.696 2.243 1.00 0.28 C ATOM 0 H VAL B 16 11.393 -3.365 4.938 1.00 0.18 H new ATOM 0 HA VAL B 16 12.727 -1.060 4.032 1.00 0.21 H new ATOM 0 HB VAL B 16 9.984 -2.232 3.999 1.00 0.24 H new ATOM 0 HG11 VAL B 16 8.934 -0.259 3.013 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.402 -0.001 4.710 1.00 0.26 H new ATOM 0 HG13 VAL B 16 10.381 0.701 3.401 1.00 0.26 H new ATOM 0 HG21 VAL B 16 10.241 -1.743 1.573 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.768 -0.897 1.921 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.632 -2.647 2.217 1.00 0.28 H new ATOM 259 N VAL B 17 11.017 -0.681 6.797 1.00 0.23 N ATOM 260 CA VAL B 17 10.751 0.246 7.893 1.00 0.27 C ATOM 261 C VAL B 17 12.037 0.887 8.415 1.00 0.28 C ATOM 262 O VAL B 17 12.083 2.092 8.661 1.00 0.33 O ATOM 263 CB VAL B 17 10.018 -0.448 9.059 1.00 0.29 C ATOM 264 CG1 VAL B 17 9.628 0.566 10.123 1.00 0.35 C ATOM 265 CG2 VAL B 17 8.789 -1.187 8.552 1.00 0.30 C ATOM 0 H VAL B 17 10.685 -1.632 6.958 1.00 0.23 H new ATOM 0 HA VAL B 17 10.108 1.027 7.486 1.00 0.27 H new ATOM 0 HB VAL B 17 10.696 -1.174 9.507 1.00 0.29 H new ATOM 0 HG11 VAL B 17 9.112 0.058 10.938 1.00 0.35 H new ATOM 0 HG12 VAL B 17 10.524 1.052 10.508 1.00 0.35 H new ATOM 0 HG13 VAL B 17 8.968 1.316 9.687 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.284 -1.671 9.388 1.00 0.30 H new ATOM 0 HG22 VAL B 17 8.109 -0.479 8.078 1.00 0.30 H new ATOM 0 HG23 VAL B 17 9.092 -1.941 7.826 1.00 0.30 H new ATOM 275 N LEU B 18 13.087 0.082 8.561 1.00 0.29 N ATOM 276 CA LEU B 18 14.363 0.581 9.061 1.00 0.32 C ATOM 277 C LEU B 18 15.225 1.115 7.921 1.00 0.33 C ATOM 278 O LEU B 18 16.068 1.987 8.126 1.00 0.44 O ATOM 279 CB LEU B 18 15.116 -0.514 9.823 1.00 0.32 C ATOM 280 CG LEU B 18 15.330 -1.824 9.060 1.00 0.28 C ATOM 281 CD1 LEU B 18 16.810 -2.152 8.968 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.573 -2.959 9.733 1.00 0.24 C ATOM 0 H LEU B 18 13.079 -0.914 8.341 1.00 0.29 H new ATOM 0 HA LEU B 18 14.152 1.401 9.748 1.00 0.32 H new ATOM 0 HB2 LEU B 18 16.090 -0.123 10.117 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.570 -0.734 10.741 1.00 0.32 H new ATOM 0 HG LEU B 18 14.943 -1.702 8.049 1.00 0.28 H new ATOM 0 HD11 LEU B 18 16.942 -3.086 8.422 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.329 -1.349 8.444 1.00 0.33 H new ATOM 0 HD13 LEU B 18 17.223 -2.256 9.971 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.735 -3.883 9.179 1.00 0.24 H new ATOM 0 HD22 LEU B 18 14.933 -3.081 10.755 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.508 -2.727 9.748 1.00 0.24 H new ATOM 294 N LEU B 19 14.992 0.586 6.725 1.00 0.26 N ATOM 295 CA LEU B 19 15.733 0.983 5.529 1.00 0.28 C ATOM 296 C LEU B 19 15.647 2.491 5.294 1.00 0.31 C ATOM 297 O LEU B 19 16.636 3.132 4.939 1.00 0.35 O ATOM 298 CB LEU B 19 15.175 0.231 4.310 1.00 0.24 C ATOM 299 CG LEU B 19 16.215 -0.266 3.301 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.568 -1.154 2.248 1.00 0.22 C ATOM 301 CD2 LEU B 19 16.903 0.907 2.630 1.00 0.28 C ATOM 0 H LEU B 19 14.285 -0.130 6.555 1.00 0.26 H new ATOM 0 HA LEU B 19 16.782 0.727 5.675 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.603 -0.626 4.666 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.477 0.887 3.790 1.00 0.24 H new ATOM 0 HG LEU B 19 16.956 -0.853 3.843 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.327 -1.494 1.543 1.00 0.22 H new ATOM 0 HD12 LEU B 19 15.109 -2.016 2.731 1.00 0.22 H new ATOM 0 HD13 LEU B 19 14.804 -0.588 1.714 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.639 0.537 1.916 1.00 0.28 H new ATOM 0 HD22 LEU B 19 16.163 1.513 2.107 1.00 0.28 H new ATOM 0 HD23 LEU B 19 17.403 1.516 3.384 1.00 0.28 H new ATOM 313 N PHE B 20 14.468 3.055 5.507 1.00 0.32 N ATOM 314 CA PHE B 20 14.259 4.480 5.283 1.00 0.37 C ATOM 315 C PHE B 20 13.885 5.197 6.575 1.00 0.40 C ATOM 316 O PHE B 20 13.309 6.281 6.547 1.00 0.59 O ATOM 317 CB PHE B 20 13.174 4.669 4.223 1.00 0.39 C ATOM 318 CG PHE B 20 13.180 3.560 3.211 1.00 0.34 C ATOM 319 CD1 PHE B 20 14.204 3.449 2.288 1.00 1.05 C ATOM 320 CD2 PHE B 20 12.185 2.598 3.211 1.00 0.96 C ATOM 321 CE1 PHE B 20 14.230 2.404 1.393 1.00 1.02 C ATOM 322 CE2 PHE B 20 12.218 1.546 2.320 1.00 0.97 C ATOM 323 CZ PHE B 20 13.241 1.449 1.407 1.00 0.29 C ATOM 0 H PHE B 20 13.643 2.551 5.833 1.00 0.32 H new ATOM 0 HA PHE B 20 15.191 4.921 4.929 1.00 0.37 H new ATOM 0 HB2 PHE B 20 12.198 4.714 4.707 1.00 0.39 H new ATOM 0 HB3 PHE B 20 13.323 5.623 3.717 1.00 0.39 H new ATOM 0 HD1 PHE B 20 14.990 4.189 2.269 1.00 1.05 H new ATOM 0 HD2 PHE B 20 11.372 2.672 3.918 1.00 0.96 H new ATOM 0 HE1 PHE B 20 15.033 2.334 0.674 1.00 1.02 H new ATOM 0 HE2 PHE B 20 11.439 0.798 2.340 1.00 0.97 H new ATOM 0 HZ PHE B 20 13.268 0.628 0.705 1.00 0.29 H new ATOM 333 N GLY B 21 14.199 4.561 7.701 1.00 0.30 N ATOM 334 CA GLY B 21 13.926 5.138 9.014 1.00 0.33 C ATOM 335 C GLY B 21 12.474 5.525 9.231 1.00 0.27 C ATOM 336 O GLY B 21 12.185 6.425 10.016 1.00 0.34 O ATOM 0 H GLY B 21 14.644 3.644 7.730 1.00 0.30 H new ATOM 0 HA2 GLY B 21 14.219 4.422 9.782 1.00 0.33 H new ATOM 0 HA3 GLY B 21 14.550 6.021 9.148 1.00 0.33 H new ATOM 340 N THR B 22 11.563 4.846 8.538 1.00 0.27 N ATOM 341 CA THR B 22 10.131 5.119 8.655 1.00 0.33 C ATOM 342 C THR B 22 9.807 6.583 8.318 1.00 0.42 C ATOM 343 O THR B 22 8.810 7.131 8.784 1.00 0.59 O ATOM 344 CB THR B 22 9.623 4.775 10.074 1.00 0.35 C ATOM 345 OG1 THR B 22 10.371 3.665 10.586 1.00 0.85 O ATOM 346 CG2 THR B 22 8.138 4.422 10.056 1.00 0.74 C ATOM 0 H THR B 22 11.793 4.097 7.885 1.00 0.27 H new ATOM 0 HA THR B 22 9.618 4.484 7.933 1.00 0.33 H new ATOM 0 HB THR B 22 9.759 5.648 10.712 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.054 3.444 11.486 1.00 0.85 H new ATOM 0 HG21 THR B 22 7.808 4.185 11.067 1.00 0.74 H new ATOM 0 HG22 THR B 22 7.567 5.270 9.678 1.00 0.74 H new ATOM 0 HG23 THR B 22 7.977 3.559 9.410 1.00 0.74 H new ATOM 354 N LYS B 23 10.646 7.197 7.479 1.00 0.41 N ATOM 355 CA LYS B 23 10.464 8.592 7.084 1.00 0.58 C ATOM 356 C LYS B 23 9.149 8.796 6.336 1.00 0.73 C ATOM 357 O LYS B 23 8.139 9.176 6.930 1.00 1.13 O ATOM 358 CB LYS B 23 11.632 9.053 6.209 1.00 0.57 C ATOM 359 CG LYS B 23 12.839 9.540 6.999 1.00 0.79 C ATOM 360 CD LYS B 23 14.030 9.808 6.089 1.00 0.96 C ATOM 361 CE LYS B 23 15.021 10.767 6.729 1.00 1.41 C ATOM 362 NZ LYS B 23 15.574 10.244 8.006 1.00 1.89 N ATOM 0 H LYS B 23 11.460 6.746 7.060 1.00 0.41 H new ATOM 0 HA LYS B 23 10.434 9.190 7.995 1.00 0.58 H new ATOM 0 HB2 LYS B 23 11.939 8.228 5.566 1.00 0.57 H new ATOM 0 HB3 LYS B 23 11.289 9.856 5.556 1.00 0.57 H new ATOM 0 HG2 LYS B 23 12.579 10.451 7.538 1.00 0.79 H new ATOM 0 HG3 LYS B 23 13.111 8.795 7.746 1.00 0.79 H new ATOM 0 HD2 LYS B 23 14.531 8.868 5.858 1.00 0.96 H new ATOM 0 HD3 LYS B 23 13.680 10.223 5.144 1.00 0.96 H new ATOM 0 HE2 LYS B 23 15.838 10.958 6.034 1.00 1.41 H new ATOM 0 HE3 LYS B 23 14.530 11.723 6.913 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 16.294 10.902 8.368 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 14.808 10.151 8.703 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 16.008 9.313 7.841 1.00 1.89 H new ATOM 376 N LYS B 24 9.154 8.532 5.034 1.00 0.73 N ATOM 377 CA LYS B 24 7.951 8.701 4.230 1.00 1.03 C ATOM 378 C LYS B 24 6.908 7.645 4.561 1.00 0.71 C ATOM 379 O LYS B 24 5.745 7.792 4.203 1.00 0.55 O ATOM 380 CB LYS B 24 8.267 8.680 2.736 1.00 1.60 C ATOM 381 CG LYS B 24 8.940 9.950 2.234 1.00 2.50 C ATOM 382 CD LYS B 24 8.189 11.201 2.665 1.00 3.67 C ATOM 383 CE LYS B 24 8.769 12.444 2.010 1.00 4.88 C ATOM 384 NZ LYS B 24 8.131 13.687 2.520 1.00 5.98 N ATOM 0 H LYS B 24 9.970 8.203 4.517 1.00 0.73 H new ATOM 0 HA LYS B 24 7.539 9.679 4.478 1.00 1.03 H new ATOM 0 HB2 LYS B 24 8.913 7.828 2.522 1.00 1.60 H new ATOM 0 HB3 LYS B 24 7.342 8.526 2.180 1.00 1.60 H new ATOM 0 HG2 LYS B 24 9.962 9.992 2.611 1.00 2.50 H new ATOM 0 HG3 LYS B 24 9.003 9.921 1.146 1.00 2.50 H new ATOM 0 HD2 LYS B 24 7.136 11.105 2.401 1.00 3.67 H new ATOM 0 HD3 LYS B 24 8.237 11.302 3.749 1.00 3.67 H new ATOM 0 HE2 LYS B 24 9.842 12.485 2.195 1.00 4.88 H new ATOM 0 HE3 LYS B 24 8.633 12.383 0.930 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 8.554 14.512 2.049 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 7.110 13.660 2.322 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 8.282 13.759 3.546 1.00 5.98 H new ATOM 398 N LEU B 25 7.325 6.586 5.252 1.00 0.71 N ATOM 399 CA LEU B 25 6.405 5.529 5.650 1.00 0.62 C ATOM 400 C LEU B 25 5.315 6.103 6.539 1.00 0.44 C ATOM 401 O LEU B 25 4.168 5.661 6.501 1.00 0.56 O ATOM 402 CB LEU B 25 7.141 4.413 6.388 1.00 0.76 C ATOM 403 CG LEU B 25 7.890 3.434 5.484 1.00 0.71 C ATOM 404 CD1 LEU B 25 9.392 3.611 5.619 1.00 0.86 C ATOM 405 CD2 LEU B 25 7.489 2.000 5.803 1.00 0.75 C ATOM 0 H LEU B 25 8.291 6.440 5.546 1.00 0.71 H new ATOM 0 HA LEU B 25 5.957 5.107 4.750 1.00 0.62 H new ATOM 0 HB2 LEU B 25 7.852 4.862 7.082 1.00 0.76 H new ATOM 0 HB3 LEU B 25 6.421 3.855 6.986 1.00 0.76 H new ATOM 0 HG LEU B 25 7.616 3.648 4.451 1.00 0.71 H new ATOM 0 HD11 LEU B 25 9.902 2.903 4.966 1.00 0.86 H new ATOM 0 HD12 LEU B 25 9.665 4.628 5.336 1.00 0.86 H new ATOM 0 HD13 LEU B 25 9.688 3.430 6.652 1.00 0.86 H new ATOM 0 HD21 LEU B 25 8.032 1.317 5.150 1.00 0.75 H new ATOM 0 HD22 LEU B 25 7.730 1.777 6.842 1.00 0.75 H new ATOM 0 HD23 LEU B 25 6.417 1.878 5.645 1.00 0.75 H new ATOM 417 N GLY B 26 5.685 7.100 7.330 1.00 0.42 N ATOM 418 CA GLY B 26 4.728 7.741 8.194 1.00 0.53 C ATOM 419 C GLY B 26 3.771 8.606 7.402 1.00 0.60 C ATOM 420 O GLY B 26 2.564 8.581 7.634 1.00 0.87 O ATOM 0 H GLY B 26 6.633 7.473 7.385 1.00 0.42 H new ATOM 0 HA2 GLY B 26 4.168 6.986 8.746 1.00 0.53 H new ATOM 0 HA3 GLY B 26 5.250 8.352 8.930 1.00 0.53 H new ATOM 424 N SER B 27 4.313 9.348 6.442 1.00 0.53 N ATOM 425 CA SER B 27 3.517 10.227 5.602 1.00 0.58 C ATOM 426 C SER B 27 2.577 9.429 4.695 1.00 0.51 C ATOM 427 O SER B 27 1.356 9.575 4.778 1.00 0.53 O ATOM 428 CB SER B 27 4.445 11.113 4.768 1.00 0.66 C ATOM 429 OG SER B 27 5.796 10.952 5.180 1.00 0.89 O ATOM 0 H SER B 27 5.310 9.355 6.227 1.00 0.53 H new ATOM 0 HA SER B 27 2.898 10.854 6.243 1.00 0.58 H new ATOM 0 HB2 SER B 27 4.348 10.858 3.713 1.00 0.66 H new ATOM 0 HB3 SER B 27 4.150 12.157 4.872 1.00 0.66 H new ATOM 0 HG SER B 27 6.323 11.723 4.882 1.00 0.89 H new ATOM 435 N ILE B 28 3.145 8.561 3.856 1.00 0.47 N ATOM 436 CA ILE B 28 2.344 7.758 2.936 1.00 0.44 C ATOM 437 C ILE B 28 1.383 6.856 3.714 1.00 0.42 C ATOM 438 O ILE B 28 0.267 6.589 3.272 1.00 0.41 O ATOM 439 CB ILE B 28 3.222 6.888 1.996 1.00 0.49 C ATOM 440 CG1 ILE B 28 3.910 5.749 2.758 1.00 1.16 C ATOM 441 CG2 ILE B 28 4.249 7.759 1.308 1.00 0.80 C ATOM 442 CD1 ILE B 28 4.737 4.830 1.880 1.00 1.25 C ATOM 0 H ILE B 28 4.150 8.398 3.796 1.00 0.47 H new ATOM 0 HA ILE B 28 1.779 8.455 2.317 1.00 0.44 H new ATOM 0 HB ILE B 28 2.572 6.433 1.248 1.00 0.49 H new ATOM 0 HG12 ILE B 28 4.554 6.177 3.526 1.00 1.16 H new ATOM 0 HG13 ILE B 28 3.151 5.158 3.271 1.00 1.16 H new ATOM 0 HG21 ILE B 28 4.864 7.146 0.649 1.00 0.80 H new ATOM 0 HG22 ILE B 28 3.742 8.525 0.722 1.00 0.80 H new ATOM 0 HG23 ILE B 28 4.883 8.235 2.056 1.00 0.80 H new ATOM 0 HD11 ILE B 28 5.190 4.051 2.494 1.00 1.25 H new ATOM 0 HD12 ILE B 28 4.096 4.371 1.127 1.00 1.25 H new ATOM 0 HD13 ILE B 28 5.520 5.406 1.387 1.00 1.25 H new ATOM 454 N GLY B 29 1.823 6.408 4.888 1.00 0.46 N ATOM 455 CA GLY B 29 1.007 5.541 5.713 1.00 0.48 C ATOM 456 C GLY B 29 -0.160 6.273 6.338 1.00 0.46 C ATOM 457 O GLY B 29 -1.239 5.707 6.485 1.00 0.50 O ATOM 0 H GLY B 29 2.736 6.634 5.282 1.00 0.46 H new ATOM 0 HA2 GLY B 29 0.633 4.715 5.108 1.00 0.48 H new ATOM 0 HA3 GLY B 29 1.624 5.106 6.500 1.00 0.48 H new ATOM 461 N SER B 30 0.052 7.527 6.715 1.00 0.43 N ATOM 462 CA SER B 30 -1.005 8.329 7.311 1.00 0.45 C ATOM 463 C SER B 30 -2.043 8.712 6.263 1.00 0.42 C ATOM 464 O SER B 30 -3.244 8.557 6.482 1.00 0.45 O ATOM 465 CB SER B 30 -0.422 9.584 7.958 1.00 0.47 C ATOM 466 OG SER B 30 -0.053 9.338 9.302 1.00 0.94 O ATOM 0 H SER B 30 0.946 8.009 6.618 1.00 0.43 H new ATOM 0 HA SER B 30 -1.494 7.733 8.082 1.00 0.45 H new ATOM 0 HB2 SER B 30 0.449 9.917 7.393 1.00 0.47 H new ATOM 0 HB3 SER B 30 -1.154 10.390 7.920 1.00 0.47 H new ATOM 0 HG SER B 30 0.319 10.156 9.694 1.00 0.94 H new ATOM 472 N ASP B 31 -1.569 9.190 5.122 1.00 0.37 N ATOM 473 CA ASP B 31 -2.453 9.604 4.041 1.00 0.38 C ATOM 474 C ASP B 31 -3.264 8.431 3.518 1.00 0.37 C ATOM 475 O ASP B 31 -4.495 8.466 3.505 1.00 0.39 O ATOM 476 CB ASP B 31 -1.655 10.236 2.908 1.00 0.38 C ATOM 477 CG ASP B 31 -1.464 11.723 3.107 1.00 0.96 C ATOM 478 OD1 ASP B 31 -0.504 12.113 3.800 1.00 1.48 O ATOM 479 OD2 ASP B 31 -2.270 12.504 2.562 1.00 1.35 O ATOM 0 H ASP B 31 -0.575 9.301 4.920 1.00 0.37 H new ATOM 0 HA ASP B 31 -3.144 10.346 4.441 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -0.681 9.752 2.837 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -2.167 10.060 1.962 1.00 0.38 H new ATOM 484 N LEU B 32 -2.572 7.384 3.095 1.00 0.36 N ATOM 485 CA LEU B 32 -3.239 6.198 2.577 1.00 0.36 C ATOM 486 C LEU B 32 -3.989 5.467 3.687 1.00 0.38 C ATOM 487 O LEU B 32 -4.980 4.786 3.427 1.00 0.40 O ATOM 488 CB LEU B 32 -2.230 5.273 1.898 1.00 0.36 C ATOM 489 CG LEU B 32 -1.981 5.591 0.420 1.00 0.38 C ATOM 490 CD1 LEU B 32 -0.517 5.417 0.048 1.00 0.59 C ATOM 491 CD2 LEU B 32 -2.856 4.722 -0.466 1.00 0.57 C ATOM 0 H LEU B 32 -1.553 7.331 3.100 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.970 6.513 1.832 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -1.283 5.330 2.435 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.582 4.245 1.982 1.00 0.36 H new ATOM 0 HG LEU B 32 -2.243 6.637 0.260 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -0.379 5.651 -1.008 1.00 0.59 H new ATOM 0 HD12 LEU B 32 0.094 6.088 0.651 1.00 0.59 H new ATOM 0 HD13 LEU B 32 -0.215 4.386 0.233 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -2.666 4.961 -1.512 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -2.626 3.672 -0.287 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -3.905 4.908 -0.236 1.00 0.57 H new ATOM 503 N GLY B 33 -3.524 5.623 4.922 1.00 0.38 N ATOM 504 CA GLY B 33 -4.184 5.000 6.055 1.00 0.39 C ATOM 505 C GLY B 33 -5.539 5.623 6.302 1.00 0.41 C ATOM 506 O GLY B 33 -6.510 4.936 6.607 1.00 0.42 O ATOM 0 H GLY B 33 -2.698 6.172 5.159 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -4.299 3.932 5.871 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.564 5.105 6.945 1.00 0.39 H new ATOM 510 N ALA B 34 -5.594 6.939 6.176 1.00 0.41 N ATOM 511 CA ALA B 34 -6.838 7.669 6.342 1.00 0.44 C ATOM 512 C ALA B 34 -7.777 7.327 5.201 1.00 0.44 C ATOM 513 O ALA B 34 -8.999 7.303 5.348 1.00 0.49 O ATOM 514 CB ALA B 34 -6.567 9.161 6.359 1.00 0.44 C ATOM 0 H ALA B 34 -4.788 7.524 5.958 1.00 0.41 H new ATOM 0 HA ALA B 34 -7.299 7.386 7.288 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.506 9.700 6.484 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -5.899 9.400 7.186 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -6.101 9.457 5.419 1.00 0.44 H new ATOM 520 N SER B 35 -7.172 7.044 4.065 1.00 0.42 N ATOM 521 CA SER B 35 -7.899 6.694 2.866 1.00 0.42 C ATOM 522 C SER B 35 -8.503 5.293 2.977 1.00 0.41 C ATOM 523 O SER B 35 -9.588 5.037 2.458 1.00 0.40 O ATOM 524 CB SER B 35 -6.953 6.787 1.672 1.00 0.43 C ATOM 525 OG SER B 35 -6.400 8.092 1.581 1.00 0.48 O ATOM 0 H SER B 35 -6.159 7.051 3.949 1.00 0.42 H new ATOM 0 HA SER B 35 -8.726 7.390 2.730 1.00 0.42 H new ATOM 0 HB2 SER B 35 -6.154 6.053 1.774 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.490 6.548 0.754 1.00 0.43 H new ATOM 0 HG SER B 35 -5.667 8.182 2.225 1.00 0.48 H new ATOM 531 N ILE B 36 -7.808 4.399 3.681 1.00 0.45 N ATOM 532 CA ILE B 36 -8.276 3.029 3.848 1.00 0.47 C ATOM 533 C ILE B 36 -9.514 2.971 4.744 1.00 0.43 C ATOM 534 O ILE B 36 -10.412 2.163 4.511 1.00 0.43 O ATOM 535 CB ILE B 36 -7.161 2.089 4.398 1.00 0.57 C ATOM 536 CG1 ILE B 36 -7.348 0.669 3.860 1.00 0.68 C ATOM 537 CG2 ILE B 36 -7.138 2.060 5.923 1.00 0.55 C ATOM 538 CD1 ILE B 36 -6.923 0.504 2.417 1.00 1.03 C ATOM 0 H ILE B 36 -6.921 4.601 4.143 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.549 2.669 2.856 1.00 0.47 H new ATOM 0 HB ILE B 36 -6.206 2.488 4.055 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -6.777 -0.023 4.479 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -8.397 0.389 3.955 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -6.346 1.393 6.262 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -6.954 3.065 6.303 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -8.098 1.702 6.295 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -7.085 -0.528 2.106 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -7.512 1.170 1.786 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -5.866 0.751 2.318 1.00 1.03 H new ATOM 550 N LYS B 37 -9.582 3.844 5.752 1.00 0.42 N ATOM 551 CA LYS B 37 -10.730 3.857 6.655 1.00 0.41 C ATOM 552 C LYS B 37 -11.922 4.539 5.996 1.00 0.43 C ATOM 553 O LYS B 37 -13.051 4.436 6.472 1.00 0.55 O ATOM 554 CB LYS B 37 -10.389 4.532 7.989 1.00 0.44 C ATOM 555 CG LYS B 37 -10.193 6.038 7.907 1.00 0.46 C ATOM 556 CD LYS B 37 -10.028 6.640 9.289 1.00 0.51 C ATOM 557 CE LYS B 37 -9.761 8.132 9.226 1.00 0.58 C ATOM 558 NZ LYS B 37 -9.577 8.708 10.581 1.00 0.70 N ATOM 0 H LYS B 37 -8.866 4.540 5.960 1.00 0.42 H new ATOM 0 HA LYS B 37 -10.996 2.822 6.868 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -11.186 4.321 8.702 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -9.479 4.082 8.386 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.315 6.262 7.302 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -11.048 6.493 7.408 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -10.928 6.456 9.875 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -9.205 6.145 9.805 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -8.870 8.318 8.626 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -10.592 8.631 8.727 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -9.396 9.729 10.503 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -10.437 8.551 11.145 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -8.769 8.248 11.047 1.00 0.70 H new ATOM 572 N GLY B 38 -11.659 5.236 4.900 1.00 0.36 N ATOM 573 CA GLY B 38 -12.717 5.905 4.177 1.00 0.42 C ATOM 574 C GLY B 38 -13.293 4.998 3.114 1.00 0.44 C ATOM 575 O GLY B 38 -14.507 4.941 2.921 1.00 0.51 O ATOM 0 H GLY B 38 -10.728 5.349 4.499 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.503 6.207 4.869 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -12.331 6.814 3.716 1.00 0.42 H new ATOM 579 N PHE B 39 -12.409 4.270 2.436 1.00 0.44 N ATOM 580 CA PHE B 39 -12.815 3.347 1.388 1.00 0.52 C ATOM 581 C PHE B 39 -13.547 2.148 1.984 1.00 0.43 C ATOM 582 O PHE B 39 -14.612 1.765 1.505 1.00 0.48 O ATOM 583 CB PHE B 39 -11.589 2.901 0.558 1.00 0.70 C ATOM 584 CG PHE B 39 -11.398 1.405 0.435 1.00 0.74 C ATOM 585 CD1 PHE B 39 -12.246 0.641 -0.351 1.00 0.74 C ATOM 586 CD2 PHE B 39 -10.363 0.769 1.101 1.00 1.21 C ATOM 587 CE1 PHE B 39 -12.070 -0.722 -0.471 1.00 1.06 C ATOM 588 CE2 PHE B 39 -10.182 -0.598 0.984 1.00 1.48 C ATOM 589 CZ PHE B 39 -11.037 -1.343 0.198 1.00 1.36 C ATOM 0 H PHE B 39 -11.402 4.305 2.598 1.00 0.44 H new ATOM 0 HA PHE B 39 -13.506 3.859 0.718 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -11.677 3.323 -0.443 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.693 3.329 1.007 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -13.058 1.120 -0.878 1.00 0.74 H new ATOM 0 HD2 PHE B 39 -9.690 1.346 1.718 1.00 1.21 H new ATOM 0 HE1 PHE B 39 -12.740 -1.302 -1.088 1.00 1.06 H new ATOM 0 HE2 PHE B 39 -9.371 -1.082 1.508 1.00 1.48 H new ATOM 0 HZ PHE B 39 -10.897 -2.410 0.107 1.00 1.36 H new ATOM 599 N LYS B 40 -13.000 1.584 3.056 1.00 0.41 N ATOM 600 CA LYS B 40 -13.606 0.420 3.688 1.00 0.44 C ATOM 601 C LYS B 40 -14.908 0.795 4.380 1.00 0.43 C ATOM 602 O LYS B 40 -15.661 -0.074 4.813 1.00 0.50 O ATOM 603 CB LYS B 40 -12.647 -0.214 4.690 1.00 0.52 C ATOM 604 CG LYS B 40 -12.755 -1.727 4.752 1.00 0.86 C ATOM 605 CD LYS B 40 -11.792 -2.391 3.783 1.00 0.97 C ATOM 606 CE LYS B 40 -11.844 -3.905 3.894 1.00 1.34 C ATOM 607 NZ LYS B 40 -10.677 -4.544 3.235 1.00 1.61 N ATOM 0 H LYS B 40 -12.144 1.912 3.502 1.00 0.41 H new ATOM 0 HA LYS B 40 -13.824 -0.307 2.906 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -11.625 0.060 4.427 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -12.843 0.198 5.680 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -12.545 -2.067 5.766 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -13.776 -2.030 4.519 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -12.036 -2.092 2.764 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -10.778 -2.045 3.983 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -11.871 -4.192 4.945 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -12.764 -4.272 3.440 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -10.747 -5.577 3.331 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -10.666 -4.290 2.227 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -9.800 -4.213 3.685 1.00 1.61 H new ATOM 621 N LYS B 41 -15.169 2.092 4.479 1.00 0.40 N ATOM 622 CA LYS B 41 -16.382 2.575 5.114 1.00 0.45 C ATOM 623 C LYS B 41 -17.493 2.739 4.080 1.00 0.41 C ATOM 624 O LYS B 41 -18.649 2.985 4.423 1.00 0.48 O ATOM 625 CB LYS B 41 -16.119 3.893 5.848 1.00 0.53 C ATOM 626 CG LYS B 41 -17.188 4.226 6.874 1.00 0.66 C ATOM 627 CD LYS B 41 -16.700 5.246 7.887 1.00 0.77 C ATOM 628 CE LYS B 41 -17.801 5.629 8.860 1.00 0.94 C ATOM 629 NZ LYS B 41 -18.404 4.447 9.527 1.00 1.04 N ATOM 0 H LYS B 41 -14.555 2.826 4.127 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.706 1.839 5.850 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -15.151 3.838 6.345 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -16.058 4.702 5.120 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -18.071 4.613 6.366 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -17.491 3.316 7.392 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -15.852 4.838 8.437 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -16.345 6.136 7.368 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -17.396 6.302 9.616 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -18.578 6.178 8.328 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -18.999 4.762 10.320 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -18.987 3.922 8.844 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -17.649 3.828 9.885 1.00 1.04 H new ATOM 643 N ALA B 42 -17.141 2.602 2.807 1.00 0.32 N ATOM 644 CA ALA B 42 -18.126 2.709 1.742 1.00 0.29 C ATOM 645 C ALA B 42 -18.845 1.377 1.577 1.00 0.27 C ATOM 646 O ALA B 42 -19.946 1.311 1.031 1.00 0.41 O ATOM 647 CB ALA B 42 -17.475 3.140 0.426 1.00 0.31 C ATOM 0 H ALA B 42 -16.189 2.418 2.491 1.00 0.32 H new ATOM 0 HA ALA B 42 -18.851 3.476 2.014 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.237 3.211 -0.351 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -16.998 4.112 0.557 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.726 2.405 0.133 1.00 0.31 H new ATOM 653 N MET B 43 -18.209 0.315 2.064 1.00 0.37 N ATOM 654 CA MET B 43 -18.771 -1.029 1.979 1.00 0.43 C ATOM 655 C MET B 43 -18.814 -1.698 3.351 1.00 0.48 C ATOM 656 O MET B 43 -18.805 -2.923 3.450 1.00 0.72 O ATOM 657 CB MET B 43 -17.960 -1.897 1.001 1.00 0.54 C ATOM 658 CG MET B 43 -16.584 -1.338 0.664 1.00 0.75 C ATOM 659 SD MET B 43 -15.346 -1.731 1.910 1.00 1.39 S ATOM 660 CE MET B 43 -15.012 -3.442 1.514 1.00 1.21 C ATOM 0 H MET B 43 -17.300 0.360 2.524 1.00 0.37 H new ATOM 0 HA MET B 43 -19.792 -0.935 1.608 1.00 0.43 H new ATOM 0 HB2 MET B 43 -17.841 -2.892 1.429 1.00 0.54 H new ATOM 0 HB3 MET B 43 -18.529 -2.013 0.078 1.00 0.54 H new ATOM 0 HG2 MET B 43 -16.262 -1.734 -0.299 1.00 0.75 H new ATOM 0 HG3 MET B 43 -16.653 -0.256 0.556 1.00 0.75 H new ATOM 0 HE1 MET B 43 -15.039 -4.039 2.426 1.00 1.21 H new ATOM 0 HE2 MET B 43 -15.767 -3.808 0.818 1.00 1.21 H new ATOM 0 HE3 MET B 43 -14.026 -3.524 1.056 1.00 1.21 H new ATOM 670 N SER B 44 -18.877 -0.899 4.409 1.00 0.56 N ATOM 671 CA SER B 44 -18.914 -1.437 5.762 1.00 0.66 C ATOM 672 C SER B 44 -20.346 -1.564 6.275 1.00 0.66 C ATOM 673 O SER B 44 -21.279 -1.007 5.693 1.00 0.99 O ATOM 674 CB SER B 44 -18.110 -0.545 6.705 1.00 0.88 C ATOM 675 OG SER B 44 -18.510 0.808 6.584 1.00 1.35 O ATOM 0 H SER B 44 -18.903 0.119 4.356 1.00 0.56 H new ATOM 0 HA SER B 44 -18.472 -2.433 5.734 1.00 0.66 H new ATOM 0 HB2 SER B 44 -18.248 -0.879 7.733 1.00 0.88 H new ATOM 0 HB3 SER B 44 -17.047 -0.636 6.480 1.00 0.88 H new ATOM 0 HG SER B 44 -18.383 1.265 7.442 1.00 1.35 H new ATOM 782 N ILE A 6 2.497 -9.958 -6.083 1.00 0.84 N ATOM 783 CA ILE A 6 2.786 -8.918 -5.101 1.00 0.75 C ATOM 784 C ILE A 6 4.114 -9.212 -4.409 1.00 0.65 C ATOM 785 O ILE A 6 4.827 -8.298 -3.989 1.00 0.61 O ATOM 786 CB ILE A 6 1.668 -8.803 -4.036 1.00 0.82 C ATOM 787 CG1 ILE A 6 0.298 -8.613 -4.702 1.00 0.95 C ATOM 788 CG2 ILE A 6 1.954 -7.655 -3.077 1.00 0.79 C ATOM 789 CD1 ILE A 6 0.195 -7.365 -5.558 1.00 0.96 C ATOM 0 HA ILE A 6 2.843 -7.970 -5.635 1.00 0.75 H new ATOM 0 HB ILE A 6 1.648 -9.732 -3.467 1.00 0.82 H new ATOM 0 HG12 ILE A 6 0.082 -9.484 -5.321 1.00 0.95 H new ATOM 0 HG13 ILE A 6 -0.468 -8.574 -3.928 1.00 0.95 H new ATOM 0 HG21 ILE A 6 1.156 -7.592 -2.337 1.00 0.79 H new ATOM 0 HG22 ILE A 6 2.904 -7.831 -2.572 1.00 0.79 H new ATOM 0 HG23 ILE A 6 2.007 -6.720 -3.634 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -0.803 -7.303 -5.993 1.00 0.96 H new ATOM 0 HD12 ILE A 6 0.377 -6.485 -4.941 1.00 0.96 H new ATOM 0 HD13 ILE A 6 0.936 -7.409 -6.356 1.00 0.96 H new ATOM 801 N TRP A 7 4.443 -10.495 -4.321 1.00 0.64 N ATOM 802 CA TRP A 7 5.683 -10.934 -3.697 1.00 0.60 C ATOM 803 C TRP A 7 6.881 -10.289 -4.383 1.00 0.56 C ATOM 804 O TRP A 7 7.693 -9.613 -3.748 1.00 0.54 O ATOM 805 CB TRP A 7 5.796 -12.458 -3.776 1.00 0.67 C ATOM 806 CG TRP A 7 6.555 -13.057 -2.630 1.00 0.64 C ATOM 807 CD1 TRP A 7 6.023 -13.569 -1.487 1.00 0.75 C ATOM 808 CD2 TRP A 7 7.976 -13.194 -2.513 1.00 0.65 C ATOM 809 NE1 TRP A 7 7.023 -14.027 -0.668 1.00 0.78 N ATOM 810 CE2 TRP A 7 8.231 -13.805 -1.271 1.00 0.71 C ATOM 811 CE3 TRP A 7 9.059 -12.864 -3.332 1.00 0.76 C ATOM 812 CZ2 TRP A 7 9.519 -14.092 -0.830 1.00 0.82 C ATOM 813 CZ3 TRP A 7 10.338 -13.149 -2.892 1.00 0.91 C ATOM 814 CH2 TRP A 7 10.560 -13.758 -1.651 1.00 0.92 C ATOM 0 H TRP A 7 3.862 -11.254 -4.677 1.00 0.64 H new ATOM 0 HA TRP A 7 5.674 -10.629 -2.651 1.00 0.60 H new ATOM 0 HB2 TRP A 7 4.795 -12.889 -3.804 1.00 0.67 H new ATOM 0 HB3 TRP A 7 6.287 -12.731 -4.710 1.00 0.67 H new ATOM 0 HD1 TRP A 7 4.968 -13.609 -1.258 1.00 0.75 H new ATOM 0 HE1 TRP A 7 6.888 -14.463 0.244 1.00 0.78 H new ATOM 0 HE3 TRP A 7 8.900 -12.395 -4.292 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 9.690 -14.562 0.127 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 11.182 -12.897 -3.517 1.00 0.91 H new ATOM 0 HH2 TRP A 7 11.572 -13.968 -1.337 1.00 0.92 H new ATOM 825 N GLN A 8 6.967 -10.487 -5.689 1.00 0.57 N ATOM 826 CA GLN A 8 8.053 -9.935 -6.482 1.00 0.59 C ATOM 827 C GLN A 8 7.899 -8.425 -6.610 1.00 0.58 C ATOM 828 O GLN A 8 8.886 -7.692 -6.670 1.00 0.59 O ATOM 829 CB GLN A 8 8.084 -10.578 -7.875 1.00 0.68 C ATOM 830 CG GLN A 8 8.499 -12.046 -7.883 1.00 0.79 C ATOM 831 CD GLN A 8 7.399 -12.982 -7.406 1.00 1.06 C ATOM 832 OE1 GLN A 8 6.212 -12.649 -7.462 1.00 1.49 O ATOM 833 NE2 GLN A 8 7.783 -14.159 -6.938 1.00 1.50 N ATOM 0 H GLN A 8 6.291 -11.031 -6.226 1.00 0.57 H new ATOM 0 HA GLN A 8 8.993 -10.154 -5.975 1.00 0.59 H new ATOM 0 HB2 GLN A 8 7.095 -10.490 -8.324 1.00 0.68 H new ATOM 0 HB3 GLN A 8 8.772 -10.015 -8.506 1.00 0.68 H new ATOM 0 HG2 GLN A 8 8.794 -12.328 -8.894 1.00 0.79 H new ATOM 0 HG3 GLN A 8 9.376 -12.173 -7.248 1.00 0.79 H new ATOM 0 HE21 GLN A 8 8.774 -14.397 -6.908 1.00 1.50 H new ATOM 0 HE22 GLN A 8 7.088 -14.828 -6.607 1.00 1.50 H new ATOM 842 N LEU A 9 6.651 -7.967 -6.637 1.00 0.60 N ATOM 843 CA LEU A 9 6.354 -6.546 -6.754 1.00 0.65 C ATOM 844 C LEU A 9 6.910 -5.774 -5.560 1.00 0.58 C ATOM 845 O LEU A 9 7.425 -4.662 -5.706 1.00 0.59 O ATOM 846 CB LEU A 9 4.841 -6.333 -6.848 1.00 0.74 C ATOM 847 CG LEU A 9 4.351 -5.593 -8.099 1.00 0.94 C ATOM 848 CD1 LEU A 9 4.732 -4.120 -8.041 1.00 0.95 C ATOM 849 CD2 LEU A 9 4.911 -6.241 -9.361 1.00 1.02 C ATOM 0 H LEU A 9 5.826 -8.564 -6.579 1.00 0.60 H new ATOM 0 HA LEU A 9 6.830 -6.172 -7.660 1.00 0.65 H new ATOM 0 HB2 LEU A 9 4.352 -7.307 -6.809 1.00 0.74 H new ATOM 0 HB3 LEU A 9 4.515 -5.778 -5.969 1.00 0.74 H new ATOM 0 HG LEU A 9 3.264 -5.663 -8.129 1.00 0.94 H new ATOM 0 HD11 LEU A 9 4.374 -3.616 -8.939 1.00 0.95 H new ATOM 0 HD12 LEU A 9 4.279 -3.661 -7.162 1.00 0.95 H new ATOM 0 HD13 LEU A 9 5.816 -4.027 -7.981 1.00 0.95 H new ATOM 0 HD21 LEU A 9 4.552 -5.701 -10.237 1.00 1.02 H new ATOM 0 HD22 LEU A 9 6.000 -6.207 -9.335 1.00 1.02 H new ATOM 0 HD23 LEU A 9 4.582 -7.279 -9.414 1.00 1.02 H new ATOM 861 N LEU A 10 6.806 -6.375 -4.379 1.00 0.52 N ATOM 862 CA LEU A 10 7.296 -5.754 -3.159 1.00 0.46 C ATOM 863 C LEU A 10 8.797 -5.535 -3.230 1.00 0.41 C ATOM 864 O LEU A 10 9.292 -4.504 -2.797 1.00 0.38 O ATOM 865 CB LEU A 10 6.969 -6.616 -1.942 1.00 0.45 C ATOM 866 CG LEU A 10 6.381 -5.866 -0.736 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.797 -6.548 0.553 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.818 -4.409 -0.716 1.00 0.43 C ATOM 0 H LEU A 10 6.385 -7.294 -4.244 1.00 0.52 H new ATOM 0 HA LEU A 10 6.798 -4.790 -3.058 1.00 0.46 H new ATOM 0 HB2 LEU A 10 6.263 -7.389 -2.246 1.00 0.45 H new ATOM 0 HB3 LEU A 10 7.880 -7.123 -1.623 1.00 0.45 H new ATOM 0 HG LEU A 10 5.295 -5.889 -0.826 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.376 -6.010 1.402 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.430 -7.574 0.556 1.00 0.39 H new ATOM 0 HD13 LEU A 10 7.884 -6.551 0.629 1.00 0.39 H new ATOM 0 HD21 LEU A 10 6.383 -3.911 0.150 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.905 -4.356 -0.657 1.00 0.43 H new ATOM 0 HD23 LEU A 10 6.479 -3.915 -1.627 1.00 0.43 H new ATOM 880 N ILE A 11 9.506 -6.503 -3.791 1.00 0.41 N ATOM 881 CA ILE A 11 10.958 -6.425 -3.915 1.00 0.39 C ATOM 882 C ILE A 11 11.379 -5.137 -4.618 1.00 0.40 C ATOM 883 O ILE A 11 12.262 -4.421 -4.148 1.00 0.38 O ATOM 884 CB ILE A 11 11.521 -7.632 -4.688 1.00 0.44 C ATOM 885 CG1 ILE A 11 11.128 -8.939 -3.997 1.00 0.48 C ATOM 886 CG2 ILE A 11 13.038 -7.532 -4.811 1.00 0.64 C ATOM 887 CD1 ILE A 11 11.517 -10.172 -4.782 1.00 0.99 C ATOM 0 H ILE A 11 9.098 -7.358 -4.170 1.00 0.41 H new ATOM 0 HA ILE A 11 11.365 -6.432 -2.904 1.00 0.39 H new ATOM 0 HB ILE A 11 11.094 -7.626 -5.691 1.00 0.44 H new ATOM 0 HG12 ILE A 11 11.599 -8.978 -3.015 1.00 0.48 H new ATOM 0 HG13 ILE A 11 10.050 -8.946 -3.834 1.00 0.48 H new ATOM 0 HG21 ILE A 11 13.416 -8.394 -5.360 1.00 0.64 H new ATOM 0 HG22 ILE A 11 13.300 -6.618 -5.344 1.00 0.64 H new ATOM 0 HG23 ILE A 11 13.483 -7.512 -3.816 1.00 0.64 H new ATOM 0 HD11 ILE A 11 11.209 -11.063 -4.235 1.00 0.99 H new ATOM 0 HD12 ILE A 11 11.025 -10.155 -5.754 1.00 0.99 H new ATOM 0 HD13 ILE A 11 12.598 -10.188 -4.923 1.00 0.99 H new ATOM 899 N ILE A 12 10.725 -4.833 -5.737 1.00 0.45 N ATOM 900 CA ILE A 12 11.043 -3.629 -6.492 1.00 0.46 C ATOM 901 C ILE A 12 10.658 -2.393 -5.680 1.00 0.44 C ATOM 902 O ILE A 12 11.392 -1.404 -5.651 1.00 0.44 O ATOM 903 CB ILE A 12 10.335 -3.604 -7.869 1.00 0.53 C ATOM 904 CG1 ILE A 12 10.357 -4.998 -8.510 1.00 0.54 C ATOM 905 CG2 ILE A 12 11.011 -2.592 -8.786 1.00 0.58 C ATOM 906 CD1 ILE A 12 9.538 -5.094 -9.780 1.00 0.61 C ATOM 0 H ILE A 12 9.978 -5.401 -6.137 1.00 0.45 H new ATOM 0 HA ILE A 12 12.117 -3.627 -6.678 1.00 0.46 H new ATOM 0 HB ILE A 12 9.296 -3.308 -7.721 1.00 0.53 H new ATOM 0 HG12 ILE A 12 11.389 -5.271 -8.731 1.00 0.54 H new ATOM 0 HG13 ILE A 12 9.982 -5.726 -7.790 1.00 0.54 H new ATOM 0 HG21 ILE A 12 10.506 -2.582 -9.752 1.00 0.58 H new ATOM 0 HG22 ILE A 12 10.956 -1.600 -8.337 1.00 0.58 H new ATOM 0 HG23 ILE A 12 12.056 -2.869 -8.926 1.00 0.58 H new ATOM 0 HD11 ILE A 12 9.600 -6.107 -10.177 1.00 0.61 H new ATOM 0 HD12 ILE A 12 8.498 -4.853 -9.561 1.00 0.61 H new ATOM 0 HD13 ILE A 12 9.926 -4.391 -10.517 1.00 0.61 H new ATOM 918 N ALA A 13 9.510 -2.469 -5.005 1.00 0.44 N ATOM 919 CA ALA A 13 9.029 -1.377 -4.157 1.00 0.45 C ATOM 920 C ALA A 13 10.052 -1.053 -3.080 1.00 0.39 C ATOM 921 O ALA A 13 10.425 0.100 -2.871 1.00 0.41 O ATOM 922 CB ALA A 13 7.712 -1.754 -3.486 1.00 0.49 C ATOM 0 H ALA A 13 8.893 -3.281 -5.030 1.00 0.44 H new ATOM 0 HA ALA A 13 8.875 -0.505 -4.793 1.00 0.45 H new ATOM 0 HB1 ALA A 13 7.373 -0.928 -2.861 1.00 0.49 H new ATOM 0 HB2 ALA A 13 6.962 -1.963 -4.249 1.00 0.49 H new ATOM 0 HB3 ALA A 13 7.859 -2.640 -2.869 1.00 0.49 H new ATOM 928 N VAL A 14 10.498 -2.109 -2.423 1.00 0.34 N ATOM 929 CA VAL A 14 11.466 -2.045 -1.342 1.00 0.29 C ATOM 930 C VAL A 14 12.754 -1.325 -1.755 1.00 0.29 C ATOM 931 O VAL A 14 13.326 -0.572 -0.970 1.00 0.31 O ATOM 932 CB VAL A 14 11.747 -3.486 -0.849 1.00 0.26 C ATOM 933 CG1 VAL A 14 12.991 -3.595 0.018 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.532 -4.004 -0.096 1.00 0.27 C ATOM 0 H VAL A 14 10.189 -3.059 -2.632 1.00 0.34 H new ATOM 0 HA VAL A 14 11.049 -1.453 -0.527 1.00 0.29 H new ATOM 0 HB VAL A 14 11.939 -4.097 -1.731 1.00 0.26 H new ATOM 0 HG11 VAL A 14 13.128 -4.631 0.329 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.861 -3.268 -0.551 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.877 -2.964 0.899 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.725 -5.018 0.253 1.00 0.27 H new ATOM 0 HG22 VAL A 14 10.331 -3.358 0.759 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.667 -4.007 -0.759 1.00 0.27 H new ATOM 944 N ILE A 15 13.188 -1.523 -2.989 1.00 0.30 N ATOM 945 CA ILE A 15 14.407 -0.880 -3.463 1.00 0.32 C ATOM 946 C ILE A 15 14.140 0.558 -3.918 1.00 0.33 C ATOM 947 O ILE A 15 14.962 1.452 -3.708 1.00 0.34 O ATOM 948 CB ILE A 15 15.046 -1.660 -4.630 1.00 0.37 C ATOM 949 CG1 ILE A 15 15.141 -3.150 -4.295 1.00 0.36 C ATOM 950 CG2 ILE A 15 16.425 -1.098 -4.939 1.00 0.41 C ATOM 951 CD1 ILE A 15 15.526 -4.013 -5.477 1.00 0.42 C ATOM 0 H ILE A 15 12.722 -2.116 -3.675 1.00 0.30 H new ATOM 0 HA ILE A 15 15.097 -0.871 -2.620 1.00 0.32 H new ATOM 0 HB ILE A 15 14.414 -1.548 -5.511 1.00 0.37 H new ATOM 0 HG12 ILE A 15 15.874 -3.289 -3.500 1.00 0.36 H new ATOM 0 HG13 ILE A 15 14.181 -3.488 -3.906 1.00 0.36 H new ATOM 0 HG21 ILE A 15 16.868 -1.655 -5.764 1.00 0.41 H new ATOM 0 HG22 ILE A 15 16.336 -0.048 -5.217 1.00 0.41 H new ATOM 0 HG23 ILE A 15 17.060 -1.188 -4.058 1.00 0.41 H new ATOM 0 HD11 ILE A 15 15.574 -5.056 -5.165 1.00 0.42 H new ATOM 0 HD12 ILE A 15 14.781 -3.904 -6.265 1.00 0.42 H new ATOM 0 HD13 ILE A 15 16.501 -3.701 -5.853 1.00 0.42 H new ATOM 963 N VAL A 16 12.976 0.769 -4.517 1.00 0.35 N ATOM 964 CA VAL A 16 12.581 2.081 -5.031 1.00 0.38 C ATOM 965 C VAL A 16 12.604 3.169 -3.952 1.00 0.36 C ATOM 966 O VAL A 16 12.971 4.317 -4.225 1.00 0.38 O ATOM 967 CB VAL A 16 11.175 2.001 -5.688 1.00 0.44 C ATOM 968 CG1 VAL A 16 10.380 3.291 -5.513 1.00 0.51 C ATOM 969 CG2 VAL A 16 11.306 1.664 -7.163 1.00 0.47 C ATOM 0 H VAL A 16 12.278 0.040 -4.662 1.00 0.35 H new ATOM 0 HA VAL A 16 13.318 2.364 -5.783 1.00 0.38 H new ATOM 0 HB VAL A 16 10.624 1.210 -5.180 1.00 0.44 H new ATOM 0 HG11 VAL A 16 9.405 3.185 -5.989 1.00 0.51 H new ATOM 0 HG12 VAL A 16 10.245 3.494 -4.451 1.00 0.51 H new ATOM 0 HG13 VAL A 16 10.921 4.117 -5.974 1.00 0.51 H new ATOM 0 HG21 VAL A 16 10.315 1.610 -7.613 1.00 0.47 H new ATOM 0 HG22 VAL A 16 11.890 2.437 -7.662 1.00 0.47 H new ATOM 0 HG23 VAL A 16 11.807 0.702 -7.273 1.00 0.47 H new ATOM 979 N VAL A 17 12.254 2.805 -2.727 1.00 0.33 N ATOM 980 CA VAL A 17 12.209 3.770 -1.636 1.00 0.33 C ATOM 981 C VAL A 17 13.577 4.386 -1.327 1.00 0.33 C ATOM 982 O VAL A 17 13.659 5.577 -1.019 1.00 0.37 O ATOM 983 CB VAL A 17 11.596 3.183 -0.355 1.00 0.33 C ATOM 984 CG1 VAL A 17 11.103 4.299 0.551 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.462 2.219 -0.673 1.00 0.35 C ATOM 0 H VAL A 17 11.998 1.854 -2.463 1.00 0.33 H new ATOM 0 HA VAL A 17 11.557 4.568 -1.992 1.00 0.33 H new ATOM 0 HB VAL A 17 12.374 2.623 0.163 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.671 3.870 1.455 1.00 0.36 H new ATOM 0 HG12 VAL A 17 11.939 4.945 0.820 1.00 0.36 H new ATOM 0 HG13 VAL A 17 10.345 4.884 0.029 1.00 0.36 H new ATOM 0 HG21 VAL A 17 10.051 1.822 0.255 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.680 2.745 -1.221 1.00 0.35 H new ATOM 0 HG23 VAL A 17 10.842 1.398 -1.282 1.00 0.35 H new ATOM 995 N LEU A 18 14.651 3.610 -1.428 1.00 0.31 N ATOM 996 CA LEU A 18 15.978 4.158 -1.149 1.00 0.34 C ATOM 997 C LEU A 18 16.558 4.820 -2.390 1.00 0.36 C ATOM 998 O LEU A 18 17.383 5.727 -2.291 1.00 0.40 O ATOM 999 CB LEU A 18 16.956 3.095 -0.628 1.00 0.34 C ATOM 1000 CG LEU A 18 17.045 1.805 -1.441 1.00 0.33 C ATOM 1001 CD1 LEU A 18 18.490 1.369 -1.565 1.00 0.39 C ATOM 1002 CD2 LEU A 18 16.234 0.700 -0.795 1.00 0.30 C ATOM 0 H LEU A 18 14.635 2.625 -1.693 1.00 0.31 H new ATOM 0 HA LEU A 18 15.847 4.902 -0.363 1.00 0.34 H new ATOM 0 HB2 LEU A 18 17.950 3.539 -0.579 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.671 2.838 0.392 1.00 0.34 H new ATOM 0 HG LEU A 18 16.637 2.000 -2.433 1.00 0.33 H new ATOM 0 HD11 LEU A 18 18.544 0.448 -2.146 1.00 0.39 H new ATOM 0 HD12 LEU A 18 19.064 2.149 -2.066 1.00 0.39 H new ATOM 0 HD13 LEU A 18 18.904 1.196 -0.572 1.00 0.39 H new ATOM 0 HD21 LEU A 18 16.314 -0.208 -1.393 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.615 0.508 0.208 1.00 0.30 H new ATOM 0 HD23 LEU A 18 15.189 1.004 -0.734 1.00 0.30 H new ATOM 1014 N LEU A 19 16.105 4.376 -3.554 1.00 0.36 N ATOM 1015 CA LEU A 19 16.586 4.906 -4.823 1.00 0.40 C ATOM 1016 C LEU A 19 16.309 6.394 -4.950 1.00 0.41 C ATOM 1017 O LEU A 19 17.141 7.155 -5.443 1.00 0.45 O ATOM 1018 CB LEU A 19 15.932 4.166 -5.987 1.00 0.41 C ATOM 1019 CG LEU A 19 16.341 2.706 -6.146 1.00 0.44 C ATOM 1020 CD1 LEU A 19 15.968 2.206 -7.528 1.00 0.47 C ATOM 1021 CD2 LEU A 19 17.828 2.536 -5.883 1.00 0.47 C ATOM 0 H LEU A 19 15.400 3.645 -3.646 1.00 0.36 H new ATOM 0 HA LEU A 19 17.665 4.756 -4.852 1.00 0.40 H new ATOM 0 HB2 LEU A 19 14.850 4.211 -5.862 1.00 0.41 H new ATOM 0 HB3 LEU A 19 16.169 4.695 -6.910 1.00 0.41 H new ATOM 0 HG LEU A 19 15.803 2.108 -5.411 1.00 0.44 H new ATOM 0 HD11 LEU A 19 16.265 1.162 -7.630 1.00 0.47 H new ATOM 0 HD12 LEU A 19 14.890 2.292 -7.667 1.00 0.47 H new ATOM 0 HD13 LEU A 19 16.480 2.804 -8.282 1.00 0.47 H new ATOM 0 HD21 LEU A 19 18.101 1.487 -6.001 1.00 0.47 H new ATOM 0 HD22 LEU A 19 18.394 3.140 -6.592 1.00 0.47 H new ATOM 0 HD23 LEU A 19 18.057 2.858 -4.867 1.00 0.47 H new ATOM 1033 N PHE A 20 15.142 6.809 -4.500 1.00 0.40 N ATOM 1034 CA PHE A 20 14.764 8.207 -4.594 1.00 0.44 C ATOM 1035 C PHE A 20 14.973 8.938 -3.272 1.00 0.47 C ATOM 1036 O PHE A 20 14.383 9.989 -3.037 1.00 0.51 O ATOM 1037 CB PHE A 20 13.315 8.330 -5.068 1.00 0.45 C ATOM 1038 CG PHE A 20 13.047 7.541 -6.315 1.00 0.46 C ATOM 1039 CD1 PHE A 20 13.850 7.700 -7.431 1.00 1.07 C ATOM 1040 CD2 PHE A 20 12.011 6.625 -6.364 1.00 1.06 C ATOM 1041 CE1 PHE A 20 13.624 6.964 -8.576 1.00 1.05 C ATOM 1042 CE2 PHE A 20 11.781 5.882 -7.507 1.00 1.12 C ATOM 1043 CZ PHE A 20 12.590 6.053 -8.614 1.00 0.53 C ATOM 0 H PHE A 20 14.443 6.205 -4.069 1.00 0.40 H new ATOM 0 HA PHE A 20 15.413 8.684 -5.328 1.00 0.44 H new ATOM 0 HB2 PHE A 20 12.648 7.989 -4.276 1.00 0.45 H new ATOM 0 HB3 PHE A 20 13.084 9.380 -5.250 1.00 0.45 H new ATOM 0 HD1 PHE A 20 14.664 8.409 -7.405 1.00 1.07 H new ATOM 0 HD2 PHE A 20 11.376 6.489 -5.501 1.00 1.06 H new ATOM 0 HE1 PHE A 20 14.256 7.101 -9.441 1.00 1.05 H new ATOM 0 HE2 PHE A 20 10.970 5.169 -7.535 1.00 1.12 H new ATOM 0 HZ PHE A 20 12.413 5.474 -9.508 1.00 0.53 H new ATOM 1053 N GLY A 21 15.809 8.366 -2.410 1.00 0.49 N ATOM 1054 CA GLY A 21 16.106 8.983 -1.127 1.00 0.55 C ATOM 1055 C GLY A 21 14.896 9.132 -0.224 1.00 0.56 C ATOM 1056 O GLY A 21 14.895 9.979 0.669 1.00 0.65 O ATOM 0 H GLY A 21 16.289 7.482 -2.578 1.00 0.49 H new ATOM 0 HA2 GLY A 21 16.860 8.386 -0.613 1.00 0.55 H new ATOM 0 HA3 GLY A 21 16.542 9.967 -1.300 1.00 0.55 H new ATOM 1060 N THR A 22 13.878 8.304 -0.448 1.00 0.54 N ATOM 1061 CA THR A 22 12.663 8.343 0.355 1.00 0.61 C ATOM 1062 C THR A 22 12.015 9.732 0.307 1.00 0.71 C ATOM 1063 O THR A 22 11.853 10.396 1.331 1.00 1.26 O ATOM 1064 CB THR A 22 12.970 7.949 1.818 1.00 0.71 C ATOM 1065 OG1 THR A 22 13.969 6.923 1.839 1.00 1.46 O ATOM 1066 CG2 THR A 22 11.727 7.444 2.532 1.00 0.60 C ATOM 0 H THR A 22 13.873 7.596 -1.182 1.00 0.54 H new ATOM 0 HA THR A 22 11.960 7.623 -0.064 1.00 0.61 H new ATOM 0 HB THR A 22 13.328 8.839 2.336 1.00 0.71 H new ATOM 0 HG1 THR A 22 13.873 6.357 1.045 1.00 1.46 H new ATOM 0 HG21 THR A 22 11.980 7.176 3.558 1.00 0.60 H new ATOM 0 HG22 THR A 22 10.968 8.226 2.538 1.00 0.60 H new ATOM 0 HG23 THR A 22 11.340 6.567 2.013 1.00 0.60 H new ATOM 1074 N LYS A 23 11.657 10.174 -0.896 1.00 0.38 N ATOM 1075 CA LYS A 23 11.033 11.481 -1.068 1.00 0.45 C ATOM 1076 C LYS A 23 9.749 11.393 -1.895 1.00 0.47 C ATOM 1077 O LYS A 23 8.656 11.590 -1.366 1.00 0.81 O ATOM 1078 CB LYS A 23 12.017 12.450 -1.737 1.00 0.49 C ATOM 1079 CG LYS A 23 13.242 12.770 -0.889 1.00 0.56 C ATOM 1080 CD LYS A 23 14.347 13.421 -1.712 1.00 0.77 C ATOM 1081 CE LYS A 23 13.949 14.808 -2.195 1.00 0.99 C ATOM 1082 NZ LYS A 23 15.116 15.567 -2.713 1.00 1.33 N ATOM 0 H LYS A 23 11.788 9.649 -1.761 1.00 0.38 H new ATOM 0 HA LYS A 23 10.768 11.852 -0.078 1.00 0.45 H new ATOM 0 HB2 LYS A 23 12.345 12.023 -2.685 1.00 0.49 H new ATOM 0 HB3 LYS A 23 11.496 13.379 -1.970 1.00 0.49 H new ATOM 0 HG2 LYS A 23 12.956 13.435 -0.074 1.00 0.56 H new ATOM 0 HG3 LYS A 23 13.619 11.854 -0.435 1.00 0.56 H new ATOM 0 HD2 LYS A 23 15.254 13.492 -1.112 1.00 0.77 H new ATOM 0 HD3 LYS A 23 14.581 12.791 -2.570 1.00 0.77 H new ATOM 0 HE2 LYS A 23 13.197 14.718 -2.979 1.00 0.99 H new ATOM 0 HE3 LYS A 23 13.491 15.361 -1.375 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 14.805 16.507 -3.033 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 15.823 15.675 -1.958 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 15.538 15.052 -3.512 1.00 1.33 H new ATOM 1096 N LYS A 24 9.895 11.075 -3.186 1.00 0.42 N ATOM 1097 CA LYS A 24 8.763 10.978 -4.121 1.00 0.45 C ATOM 1098 C LYS A 24 7.588 10.178 -3.563 1.00 0.47 C ATOM 1099 O LYS A 24 6.434 10.578 -3.720 1.00 0.77 O ATOM 1100 CB LYS A 24 9.215 10.344 -5.437 1.00 0.50 C ATOM 1101 CG LYS A 24 9.820 11.334 -6.416 1.00 0.58 C ATOM 1102 CD LYS A 24 8.751 12.130 -7.150 1.00 0.73 C ATOM 1103 CE LYS A 24 9.371 13.040 -8.198 1.00 1.14 C ATOM 1104 NZ LYS A 24 8.663 12.959 -9.500 1.00 1.36 N ATOM 0 H LYS A 24 10.799 10.877 -3.614 1.00 0.42 H new ATOM 0 HA LYS A 24 8.417 11.999 -4.285 1.00 0.45 H new ATOM 0 HB2 LYS A 24 9.947 9.566 -5.222 1.00 0.50 H new ATOM 0 HB3 LYS A 24 8.361 9.857 -5.908 1.00 0.50 H new ATOM 0 HG2 LYS A 24 10.479 12.018 -5.881 1.00 0.58 H new ATOM 0 HG3 LYS A 24 10.436 10.799 -7.139 1.00 0.58 H new ATOM 0 HD2 LYS A 24 8.048 11.447 -7.627 1.00 0.73 H new ATOM 0 HD3 LYS A 24 8.183 12.726 -6.436 1.00 0.73 H new ATOM 0 HE2 LYS A 24 9.353 14.069 -7.840 1.00 1.14 H new ATOM 0 HE3 LYS A 24 10.418 12.770 -8.338 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 9.120 13.596 -10.184 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 8.702 11.983 -9.856 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 7.670 13.242 -9.373 1.00 1.36 H new ATOM 1118 N LEU A 25 7.897 9.058 -2.910 1.00 0.40 N ATOM 1119 CA LEU A 25 6.880 8.177 -2.332 1.00 0.41 C ATOM 1120 C LEU A 25 5.872 8.945 -1.486 1.00 0.36 C ATOM 1121 O LEU A 25 4.670 8.707 -1.576 1.00 0.42 O ATOM 1122 CB LEU A 25 7.532 7.102 -1.460 1.00 0.50 C ATOM 1123 CG LEU A 25 8.277 6.001 -2.209 1.00 0.41 C ATOM 1124 CD1 LEU A 25 9.775 6.233 -2.141 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.919 4.642 -1.628 1.00 0.43 C ATOM 0 H LEU A 25 8.854 8.736 -2.767 1.00 0.40 H new ATOM 0 HA LEU A 25 6.355 7.716 -3.168 1.00 0.41 H new ATOM 0 HB2 LEU A 25 8.230 7.588 -0.778 1.00 0.50 H new ATOM 0 HB3 LEU A 25 6.758 6.639 -0.847 1.00 0.50 H new ATOM 0 HG LEU A 25 7.976 6.023 -3.256 1.00 0.41 H new ATOM 0 HD11 LEU A 25 10.291 5.439 -2.680 1.00 0.66 H new ATOM 0 HD12 LEU A 25 10.015 7.195 -2.594 1.00 0.66 H new ATOM 0 HD13 LEU A 25 10.096 6.233 -1.099 1.00 0.66 H new ATOM 0 HD21 LEU A 25 8.455 3.862 -2.169 1.00 0.43 H new ATOM 0 HD22 LEU A 25 8.199 4.611 -0.575 1.00 0.43 H new ATOM 0 HD23 LEU A 25 6.846 4.477 -1.723 1.00 0.43 H new ATOM 1137 N GLY A 26 6.379 9.882 -0.693 1.00 0.39 N ATOM 1138 CA GLY A 26 5.539 10.663 0.201 1.00 0.48 C ATOM 1139 C GLY A 26 4.382 11.364 -0.477 1.00 0.46 C ATOM 1140 O GLY A 26 3.226 11.188 -0.091 1.00 0.69 O ATOM 0 H GLY A 26 7.370 10.118 -0.653 1.00 0.39 H new ATOM 0 HA2 GLY A 26 5.145 10.005 0.976 1.00 0.48 H new ATOM 0 HA3 GLY A 26 6.157 11.409 0.700 1.00 0.48 H new ATOM 1144 N SER A 27 4.683 12.134 -1.498 1.00 0.37 N ATOM 1145 CA SER A 27 3.668 12.899 -2.190 1.00 0.40 C ATOM 1146 C SER A 27 2.839 12.056 -3.155 1.00 0.41 C ATOM 1147 O SER A 27 1.612 12.156 -3.166 1.00 0.45 O ATOM 1148 CB SER A 27 4.343 14.056 -2.923 1.00 0.49 C ATOM 1149 OG SER A 27 5.724 14.107 -2.589 1.00 0.78 O ATOM 0 H SER A 27 5.626 12.248 -1.870 1.00 0.37 H new ATOM 0 HA SER A 27 2.965 13.277 -1.448 1.00 0.40 H new ATOM 0 HB2 SER A 27 4.226 13.932 -4.000 1.00 0.49 H new ATOM 0 HB3 SER A 27 3.861 14.997 -2.656 1.00 0.49 H new ATOM 0 HG SER A 27 6.148 14.851 -3.065 1.00 0.78 H new ATOM 1155 N ILE A 28 3.493 11.213 -3.947 1.00 0.44 N ATOM 1156 CA ILE A 28 2.770 10.389 -4.909 1.00 0.52 C ATOM 1157 C ILE A 28 1.847 9.408 -4.191 1.00 0.51 C ATOM 1158 O ILE A 28 0.775 9.071 -4.690 1.00 0.55 O ATOM 1159 CB ILE A 28 3.717 9.633 -5.871 1.00 0.65 C ATOM 1160 CG1 ILE A 28 4.525 8.555 -5.140 1.00 1.36 C ATOM 1161 CG2 ILE A 28 4.654 10.621 -6.554 1.00 0.85 C ATOM 1162 CD1 ILE A 28 5.340 7.680 -6.068 1.00 1.52 C ATOM 0 H ILE A 28 4.505 11.083 -3.944 1.00 0.44 H new ATOM 0 HA ILE A 28 2.169 11.066 -5.516 1.00 0.52 H new ATOM 0 HB ILE A 28 3.105 9.132 -6.621 1.00 0.65 H new ATOM 0 HG12 ILE A 28 5.194 9.035 -4.425 1.00 1.36 H new ATOM 0 HG13 ILE A 28 3.843 7.927 -4.567 1.00 1.36 H new ATOM 0 HG21 ILE A 28 5.319 10.084 -7.230 1.00 0.85 H new ATOM 0 HG22 ILE A 28 4.069 11.346 -7.120 1.00 0.85 H new ATOM 0 HG23 ILE A 28 5.246 11.141 -5.801 1.00 0.85 H new ATOM 0 HD11 ILE A 28 5.886 6.940 -5.484 1.00 1.52 H new ATOM 0 HD12 ILE A 28 4.675 7.172 -6.767 1.00 1.52 H new ATOM 0 HD13 ILE A 28 6.046 8.297 -6.623 1.00 1.52 H new ATOM 1174 N GLY A 29 2.259 8.973 -3.004 1.00 0.50 N ATOM 1175 CA GLY A 29 1.448 8.060 -2.231 1.00 0.52 C ATOM 1176 C GLY A 29 0.256 8.761 -1.623 1.00 0.46 C ATOM 1177 O GLY A 29 -0.821 8.185 -1.513 1.00 0.51 O ATOM 0 H GLY A 29 3.141 9.239 -2.567 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.106 7.245 -2.869 1.00 0.52 H new ATOM 0 HA3 GLY A 29 2.052 7.614 -1.441 1.00 0.52 H new ATOM 1181 N SER A 30 0.449 10.010 -1.232 1.00 0.41 N ATOM 1182 CA SER A 30 -0.619 10.794 -0.637 1.00 0.41 C ATOM 1183 C SER A 30 -1.659 11.178 -1.687 1.00 0.39 C ATOM 1184 O SER A 30 -2.859 10.960 -1.492 1.00 0.42 O ATOM 1185 CB SER A 30 -0.036 12.044 0.029 1.00 0.43 C ATOM 1186 OG SER A 30 -1.037 13.015 0.279 1.00 0.95 O ATOM 0 H SER A 30 1.338 10.503 -1.317 1.00 0.41 H new ATOM 0 HA SER A 30 -1.117 10.190 0.121 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.445 11.767 0.967 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.736 12.472 -0.611 1.00 0.43 H new ATOM 0 HG SER A 30 -1.709 12.643 0.887 1.00 0.95 H new ATOM 1192 N ASP A 31 -1.190 11.721 -2.807 1.00 0.38 N ATOM 1193 CA ASP A 31 -2.077 12.145 -3.886 1.00 0.42 C ATOM 1194 C ASP A 31 -2.921 10.981 -4.390 1.00 0.41 C ATOM 1195 O ASP A 31 -4.151 11.062 -4.434 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.273 12.744 -5.042 1.00 0.47 C ATOM 1197 CG ASP A 31 -1.500 14.235 -5.193 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -2.628 14.633 -5.553 1.00 1.29 O ATOM 1199 OD2 ASP A 31 -0.550 15.010 -4.954 1.00 1.28 O ATOM 0 H ASP A 31 -0.199 11.878 -2.991 1.00 0.38 H new ATOM 0 HA ASP A 31 -2.744 12.909 -3.486 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.212 12.556 -4.879 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -1.547 12.242 -5.970 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.262 9.886 -4.754 1.00 0.39 N ATOM 1205 CA LEU A 32 -2.968 8.707 -5.250 1.00 0.41 C ATOM 1206 C LEU A 32 -3.753 8.041 -4.132 1.00 0.38 C ATOM 1207 O LEU A 32 -4.795 7.429 -4.370 1.00 0.40 O ATOM 1208 CB LEU A 32 -1.985 7.704 -5.862 1.00 0.44 C ATOM 1209 CG LEU A 32 -1.164 8.244 -7.027 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -0.107 7.243 -7.463 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -2.070 8.596 -8.194 1.00 1.28 C ATOM 0 H LEU A 32 -1.247 9.789 -4.716 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.664 9.034 -6.023 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -1.303 7.363 -5.083 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -2.543 6.831 -6.202 1.00 0.44 H new ATOM 0 HG LEU A 32 -0.656 9.148 -6.691 1.00 0.64 H new ATOM 0 HD11 LEU A 32 0.463 7.655 -8.295 1.00 1.09 H new ATOM 0 HD12 LEU A 32 0.565 7.037 -6.630 1.00 1.09 H new ATOM 0 HD13 LEU A 32 -0.590 6.318 -7.777 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -1.469 8.980 -9.018 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -2.606 7.705 -8.520 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -2.786 9.356 -7.882 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.254 8.185 -2.913 1.00 0.37 N ATOM 1224 CA GLY A 33 -3.896 7.595 -1.762 1.00 0.38 C ATOM 1225 C GLY A 33 -5.250 8.189 -1.482 1.00 0.35 C ATOM 1226 O GLY A 33 -6.236 7.472 -1.349 1.00 0.37 O ATOM 0 H GLY A 33 -2.404 8.708 -2.702 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -4.001 6.522 -1.920 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.258 7.728 -0.888 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.314 9.502 -1.421 1.00 0.35 N ATOM 1231 CA ALA A 34 -6.569 10.172 -1.152 1.00 0.37 C ATOM 1232 C ALA A 34 -7.535 9.994 -2.315 1.00 0.37 C ATOM 1233 O ALA A 34 -8.743 10.169 -2.172 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.321 11.631 -0.858 1.00 0.41 C ATOM 0 H ALA A 34 -4.517 10.124 -1.553 1.00 0.35 H new ATOM 0 HA ALA A 34 -7.031 9.721 -0.273 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.270 12.128 -0.657 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -5.672 11.721 0.013 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -5.842 12.099 -1.718 1.00 0.41 H new ATOM 1240 N SER A 35 -6.995 9.626 -3.465 1.00 0.33 N ATOM 1241 CA SER A 35 -7.804 9.398 -4.645 1.00 0.35 C ATOM 1242 C SER A 35 -8.402 7.994 -4.597 1.00 0.34 C ATOM 1243 O SER A 35 -9.448 7.730 -5.194 1.00 0.38 O ATOM 1244 CB SER A 35 -6.961 9.585 -5.908 1.00 0.38 C ATOM 1245 OG SER A 35 -6.419 10.895 -5.965 1.00 0.41 O ATOM 0 H SER A 35 -5.995 9.479 -3.604 1.00 0.33 H new ATOM 0 HA SER A 35 -8.617 10.123 -4.668 1.00 0.35 H new ATOM 0 HB2 SER A 35 -6.154 8.852 -5.923 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.575 9.402 -6.790 1.00 0.38 H new ATOM 0 HG SER A 35 -5.554 10.911 -5.505 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.736 7.098 -3.869 1.00 0.35 N ATOM 1252 CA ILE A 36 -8.202 5.725 -3.736 1.00 0.39 C ATOM 1253 C ILE A 36 -9.439 5.661 -2.832 1.00 0.33 C ATOM 1254 O ILE A 36 -10.294 4.793 -3.005 1.00 0.36 O ATOM 1255 CB ILE A 36 -7.089 4.779 -3.197 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -7.231 3.372 -3.797 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -7.114 4.698 -1.672 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -6.910 3.292 -5.277 1.00 0.94 C ATOM 0 H ILE A 36 -6.873 7.302 -3.364 1.00 0.35 H new ATOM 0 HA ILE A 36 -8.472 5.378 -4.734 1.00 0.39 H new ATOM 0 HB ILE A 36 -6.131 5.199 -3.502 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -6.574 2.691 -3.257 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -8.251 3.023 -3.639 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -6.324 4.029 -1.330 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -6.955 5.691 -1.252 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -8.080 4.315 -1.344 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -7.035 2.265 -5.621 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -7.584 3.945 -5.831 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -5.880 3.608 -5.444 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.543 6.602 -1.887 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.681 6.641 -0.974 1.00 0.34 C ATOM 1272 C LYS A 37 -11.869 7.310 -1.639 1.00 0.31 C ATOM 1273 O LYS A 37 -12.981 7.277 -1.124 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.325 7.364 0.330 1.00 0.40 C ATOM 1275 CG LYS A 37 -10.128 8.865 0.184 1.00 0.39 C ATOM 1276 CD LYS A 37 -9.684 9.506 1.491 1.00 0.47 C ATOM 1277 CE LYS A 37 -9.463 11.000 1.327 1.00 0.51 C ATOM 1278 NZ LYS A 37 -8.954 11.632 2.573 1.00 0.68 N ATOM 0 H LYS A 37 -8.855 7.341 -1.738 1.00 0.31 H new ATOM 0 HA LYS A 37 -10.946 5.613 -0.727 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -11.115 7.183 1.059 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.412 6.928 0.735 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -9.384 9.061 -0.588 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -11.060 9.323 -0.148 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -10.437 9.330 2.259 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -8.763 9.036 1.834 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -8.754 11.174 0.517 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -10.400 11.475 1.037 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -8.818 12.651 2.415 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -9.641 11.489 3.340 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -8.046 11.198 2.836 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.620 7.926 -2.784 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.681 8.582 -3.511 1.00 0.32 C ATOM 1294 C GLY A 38 -13.238 7.694 -4.609 1.00 0.31 C ATOM 1295 O GLY A 38 -14.452 7.617 -4.803 1.00 0.34 O ATOM 0 H GLY A 38 -10.700 7.982 -3.222 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.480 8.855 -2.822 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.306 9.508 -3.946 1.00 0.32 H new ATOM 1299 N PHE A 39 -12.349 6.997 -5.308 1.00 0.39 N ATOM 1300 CA PHE A 39 -12.745 6.114 -6.397 1.00 0.45 C ATOM 1301 C PHE A 39 -13.459 4.863 -5.871 1.00 0.35 C ATOM 1302 O PHE A 39 -14.465 4.429 -6.433 1.00 0.43 O ATOM 1303 CB PHE A 39 -11.507 5.751 -7.236 1.00 0.64 C ATOM 1304 CG PHE A 39 -11.358 4.291 -7.582 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -12.109 3.723 -8.600 1.00 0.93 C ATOM 1306 CD2 PHE A 39 -10.450 3.496 -6.900 1.00 1.01 C ATOM 1307 CE1 PHE A 39 -11.954 2.392 -8.932 1.00 1.30 C ATOM 1308 CE2 PHE A 39 -10.295 2.164 -7.225 1.00 1.39 C ATOM 1309 CZ PHE A 39 -11.047 1.611 -8.242 1.00 1.48 C ATOM 0 H PHE A 39 -11.344 7.028 -5.138 1.00 0.39 H new ATOM 0 HA PHE A 39 -13.459 6.635 -7.035 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -11.538 6.324 -8.163 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -10.617 6.070 -6.694 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -12.823 4.328 -9.139 1.00 0.93 H new ATOM 0 HD2 PHE A 39 -9.857 3.924 -6.105 1.00 1.01 H new ATOM 0 HE1 PHE A 39 -12.541 1.962 -9.730 1.00 1.30 H new ATOM 0 HE2 PHE A 39 -9.586 1.555 -6.684 1.00 1.39 H new ATOM 0 HZ PHE A 39 -10.926 0.569 -8.498 1.00 1.48 H new ATOM 1319 N LYS A 40 -12.959 4.307 -4.773 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.544 3.102 -4.198 1.00 0.30 C ATOM 1321 C LYS A 40 -14.727 3.436 -3.293 1.00 0.32 C ATOM 1322 O LYS A 40 -15.406 2.544 -2.795 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.472 2.296 -3.459 1.00 0.41 C ATOM 1324 CG LYS A 40 -12.661 0.787 -3.561 1.00 0.86 C ATOM 1325 CD LYS A 40 -11.565 0.116 -4.379 1.00 0.94 C ATOM 1326 CE LYS A 40 -11.669 -1.400 -4.284 1.00 1.41 C ATOM 1327 NZ LYS A 40 -10.635 -2.095 -5.093 1.00 1.48 N ATOM 0 H LYS A 40 -12.153 4.670 -4.265 1.00 0.27 H new ATOM 0 HA LYS A 40 -13.932 2.485 -5.008 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.493 2.558 -3.859 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -12.474 2.583 -2.408 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -12.677 0.358 -2.559 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -13.629 0.575 -4.014 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -11.642 0.425 -5.421 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -10.588 0.441 -4.021 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -11.573 -1.702 -3.241 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -12.658 -1.714 -4.617 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -10.750 -3.124 -4.994 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -10.741 -1.830 -6.093 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -9.690 -1.819 -4.760 1.00 1.48 H new ATOM 1341 N LYS A 41 -14.973 4.723 -3.078 1.00 0.28 N ATOM 1342 CA LYS A 41 -16.103 5.146 -2.257 1.00 0.35 C ATOM 1343 C LYS A 41 -17.363 5.234 -3.112 1.00 0.38 C ATOM 1344 O LYS A 41 -18.476 5.337 -2.600 1.00 0.40 O ATOM 1345 CB LYS A 41 -15.825 6.496 -1.595 1.00 0.46 C ATOM 1346 CG LYS A 41 -16.831 6.859 -0.518 1.00 0.56 C ATOM 1347 CD LYS A 41 -16.374 8.052 0.296 1.00 0.82 C ATOM 1348 CE LYS A 41 -17.375 8.361 1.389 1.00 1.03 C ATOM 1349 NZ LYS A 41 -17.587 7.192 2.281 1.00 1.15 N ATOM 0 H LYS A 41 -14.412 5.486 -3.456 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.251 4.405 -1.471 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -14.827 6.479 -1.158 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -15.825 7.274 -2.359 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -17.794 7.080 -0.979 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -16.982 6.005 0.142 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -15.398 7.848 0.736 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -16.256 8.919 -0.353 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -17.023 9.209 1.977 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -18.324 8.655 0.942 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -18.022 7.509 3.171 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -18.215 6.508 1.813 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -16.673 6.740 2.484 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.180 5.185 -4.422 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.300 5.273 -5.343 1.00 0.54 C ATOM 1365 C ALA A 42 -18.748 3.896 -5.807 1.00 0.55 C ATOM 1366 O ALA A 42 -19.842 3.736 -6.347 1.00 0.75 O ATOM 1367 CB ALA A 42 -17.923 6.132 -6.541 1.00 0.61 C ATOM 0 H ALA A 42 -16.269 5.085 -4.870 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.134 5.736 -4.815 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -18.769 6.192 -7.226 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -17.659 7.134 -6.202 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -17.071 5.686 -7.055 1.00 0.61 H new ATOM 1373 N MET A 43 -17.897 2.908 -5.595 1.00 0.51 N ATOM 1374 CA MET A 43 -18.194 1.543 -5.996 1.00 0.58 C ATOM 1375 C MET A 43 -17.995 0.596 -4.825 1.00 0.58 C ATOM 1376 O MET A 43 -16.888 0.126 -4.577 1.00 0.83 O ATOM 1377 CB MET A 43 -17.311 1.110 -7.169 1.00 0.76 C ATOM 1378 CG MET A 43 -15.873 1.584 -7.063 1.00 0.88 C ATOM 1379 SD MET A 43 -14.745 0.588 -8.056 1.00 0.98 S ATOM 1380 CE MET A 43 -14.645 -0.914 -7.078 1.00 1.01 C ATOM 0 H MET A 43 -16.989 3.026 -5.145 1.00 0.51 H new ATOM 0 HA MET A 43 -19.235 1.505 -6.316 1.00 0.58 H new ATOM 0 HB2 MET A 43 -17.321 0.022 -7.236 1.00 0.76 H new ATOM 0 HB3 MET A 43 -17.742 1.491 -8.095 1.00 0.76 H new ATOM 0 HG2 MET A 43 -15.812 2.624 -7.383 1.00 0.88 H new ATOM 0 HG3 MET A 43 -15.559 1.552 -6.020 1.00 0.88 H new ATOM 0 HE1 MET A 43 -13.775 -1.493 -7.388 1.00 1.01 H new ATOM 0 HE2 MET A 43 -14.552 -0.656 -6.023 1.00 1.01 H new ATOM 0 HE3 MET A 43 -15.548 -1.507 -7.228 1.00 1.01 H new ATOM 1390 N SER A 44 -19.070 0.335 -4.108 1.00 0.62 N ATOM 1391 CA SER A 44 -19.030 -0.550 -2.961 1.00 0.76 C ATOM 1392 C SER A 44 -20.367 -1.264 -2.799 1.00 0.65 C ATOM 1393 O SER A 44 -21.421 -0.622 -2.813 1.00 0.73 O ATOM 1394 CB SER A 44 -18.698 0.257 -1.708 1.00 1.02 C ATOM 1395 OG SER A 44 -19.415 1.483 -1.685 1.00 1.20 O ATOM 0 H SER A 44 -19.991 0.728 -4.303 1.00 0.62 H new ATOM 0 HA SER A 44 -18.258 -1.304 -3.113 1.00 0.76 H new ATOM 0 HB2 SER A 44 -18.941 -0.327 -0.820 1.00 1.02 H new ATOM 0 HB3 SER A 44 -17.627 0.458 -1.674 1.00 1.02 H new ATOM 0 HG SER A 44 -19.786 1.628 -0.790 1.00 1.20 H new ATOM 1401 N ASP A 45 -20.321 -2.583 -2.656 1.00 0.70 N ATOM 1402 CA ASP A 45 -21.535 -3.384 -2.509 1.00 0.76 C ATOM 1403 C ASP A 45 -21.194 -4.827 -2.141 1.00 0.90 C ATOM 1404 O ASP A 45 -20.743 -5.591 -2.991 1.00 1.22 O ATOM 1405 CB ASP A 45 -22.338 -3.365 -3.816 1.00 0.95 C ATOM 1406 CG ASP A 45 -23.724 -3.961 -3.670 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -24.397 -3.665 -2.661 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -24.145 -4.709 -4.576 1.00 1.63 O ATOM 0 H ASP A 45 -19.456 -3.123 -2.638 1.00 0.70 H new ATOM 0 HA ASP A 45 -22.133 -2.951 -1.707 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -22.426 -2.337 -4.167 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -21.790 -3.916 -4.580 1.00 0.95 H new