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 Set 1.1: B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 43 MET CE :methyl -116:sc= -1.22 (180deg=-2.35!) USER MOD Single : A 8 GLN : amide:sc= -0.957 K(o=-0.96,f=-7!) USER MOD Single : A 22 THR OG1 : rot -45:sc= 1.03 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 56:sc= 1.1 USER MOD Single : A 35 SER OG : rot 83:sc= 0.873 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+ 166:sc= -0.117 (180deg=-0.561) USER MOD Single : A 43 MET CE :methyl -116:sc=-0.00567 (180deg=-1.62) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0451 USER MOD Single : B 8 GLN : amide:sc= -0.295 K(o=-0.29,f=-4.4!) USER MOD Single : B 22 THR OG1 : rot 5:sc= 0.989 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 180:sc= 0 USER MOD Single : B 30 SER OG : rot 83:sc= 0.0262 USER MOD Single : B 35 SER OG : rot 74:sc= 0.835 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 164:sc= -0.105 (180deg=-0.541) USER MOD Single : B 44 SER OG : rot 42:sc= -0.0589 USER MOD ----------------------------------------------------------------- ATOM 62 N ILE B 6 1.354 -13.291 2.720 1.00 0.84 N ATOM 63 CA ILE B 6 1.708 -12.170 3.588 1.00 0.73 C ATOM 64 C ILE B 6 2.906 -12.525 4.475 1.00 0.65 C ATOM 65 O ILE B 6 3.658 -11.650 4.901 1.00 0.58 O ATOM 66 CB ILE B 6 0.506 -11.757 4.476 1.00 0.78 C ATOM 67 CG1 ILE B 6 -0.725 -11.454 3.609 1.00 0.90 C ATOM 68 CG2 ILE B 6 0.853 -10.555 5.348 1.00 0.74 C ATOM 69 CD1 ILE B 6 -0.536 -10.295 2.652 1.00 0.92 C ATOM 0 HA ILE B 6 1.978 -11.330 2.948 1.00 0.73 H new ATOM 0 HB ILE B 6 0.272 -12.594 5.134 1.00 0.78 H new ATOM 0 HG12 ILE B 6 -0.982 -12.346 3.037 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -1.572 -11.239 4.261 1.00 0.90 H new ATOM 0 HG21 ILE B 6 -0.009 -10.288 5.960 1.00 0.74 H new ATOM 0 HG22 ILE B 6 1.694 -10.806 5.995 1.00 0.74 H new ATOM 0 HG23 ILE B 6 1.123 -9.711 4.713 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -1.450 -10.146 2.077 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -0.310 -9.390 3.216 1.00 0.92 H new ATOM 0 HD13 ILE B 6 0.288 -10.514 1.973 1.00 0.92 H new ATOM 81 N TRP B 7 3.075 -13.819 4.728 1.00 0.70 N ATOM 82 CA TRP B 7 4.164 -14.323 5.561 1.00 0.69 C ATOM 83 C TRP B 7 5.526 -13.797 5.101 1.00 0.57 C ATOM 84 O TRP B 7 6.203 -13.075 5.833 1.00 0.50 O ATOM 85 CB TRP B 7 4.164 -15.853 5.545 1.00 0.80 C ATOM 86 CG TRP B 7 4.608 -16.460 6.833 1.00 0.75 C ATOM 87 CD1 TRP B 7 3.817 -16.782 7.895 1.00 0.81 C ATOM 88 CD2 TRP B 7 5.942 -16.820 7.201 1.00 0.80 C ATOM 89 NE1 TRP B 7 4.577 -17.324 8.902 1.00 0.86 N ATOM 90 CE2 TRP B 7 5.885 -17.358 8.496 1.00 0.85 C ATOM 91 CE3 TRP B 7 7.179 -16.740 6.554 1.00 0.96 C ATOM 92 CZ2 TRP B 7 7.020 -17.813 9.165 1.00 1.00 C ATOM 93 CZ3 TRP B 7 8.302 -17.195 7.215 1.00 1.14 C ATOM 94 CH2 TRP B 7 8.217 -17.726 8.507 1.00 1.14 C ATOM 0 H TRP B 7 2.462 -14.548 4.362 1.00 0.70 H new ATOM 0 HA TRP B 7 3.998 -13.964 6.577 1.00 0.69 H new ATOM 0 HB2 TRP B 7 3.159 -16.206 5.313 1.00 0.80 H new ATOM 0 HB3 TRP B 7 4.817 -16.200 4.744 1.00 0.80 H new ATOM 0 HD1 TRP B 7 2.748 -16.633 7.938 1.00 0.81 H new ATOM 0 HE1 TRP B 7 4.226 -17.648 9.803 1.00 0.86 H new ATOM 0 HE3 TRP B 7 7.254 -16.331 5.557 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 6.957 -18.219 10.164 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 9.264 -17.140 6.726 1.00 1.14 H new ATOM 0 HH2 TRP B 7 9.115 -18.075 8.995 1.00 1.14 H new ATOM 105 N GLN B 8 5.918 -14.146 3.879 1.00 0.58 N ATOM 106 CA GLN B 8 7.204 -13.719 3.340 1.00 0.51 C ATOM 107 C GLN B 8 7.192 -12.235 2.998 1.00 0.41 C ATOM 108 O GLN B 8 8.231 -11.578 3.024 1.00 0.38 O ATOM 109 CB GLN B 8 7.566 -14.543 2.107 1.00 0.58 C ATOM 110 CG GLN B 8 7.561 -16.040 2.362 1.00 0.83 C ATOM 111 CD GLN B 8 6.367 -16.724 1.733 1.00 1.13 C ATOM 112 OE1 GLN B 8 5.261 -16.672 2.266 1.00 1.57 O ATOM 113 NE2 GLN B 8 6.586 -17.380 0.606 1.00 1.28 N ATOM 0 H GLN B 8 5.364 -14.722 3.245 1.00 0.58 H new ATOM 0 HA GLN B 8 7.960 -13.883 4.108 1.00 0.51 H new ATOM 0 HB2 GLN B 8 6.862 -14.315 1.307 1.00 0.58 H new ATOM 0 HB3 GLN B 8 8.554 -14.245 1.756 1.00 0.58 H new ATOM 0 HG2 GLN B 8 8.478 -16.477 1.966 1.00 0.83 H new ATOM 0 HG3 GLN B 8 7.558 -16.224 3.436 1.00 0.83 H new ATOM 0 HE21 GLN B 8 7.521 -17.396 0.199 1.00 1.28 H new ATOM 0 HE22 GLN B 8 5.820 -17.870 0.144 1.00 1.28 H new ATOM 122 N LEU B 9 6.010 -11.715 2.683 1.00 0.43 N ATOM 123 CA LEU B 9 5.854 -10.301 2.347 1.00 0.41 C ATOM 124 C LEU B 9 6.260 -9.435 3.535 1.00 0.37 C ATOM 125 O LEU B 9 6.917 -8.403 3.376 1.00 0.37 O ATOM 126 CB LEU B 9 4.399 -9.995 1.955 1.00 0.52 C ATOM 127 CG LEU B 9 4.059 -10.064 0.456 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.772 -8.669 -0.074 1.00 0.61 C ATOM 129 CD2 LEU B 9 5.180 -10.710 -0.349 1.00 0.59 C ATOM 0 H LEU B 9 5.143 -12.252 2.653 1.00 0.43 H new ATOM 0 HA LEU B 9 6.500 -10.075 1.498 1.00 0.41 H new ATOM 0 HB2 LEU B 9 3.750 -10.693 2.484 1.00 0.52 H new ATOM 0 HB3 LEU B 9 4.153 -8.996 2.314 1.00 0.52 H new ATOM 0 HG LEU B 9 3.172 -10.687 0.344 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.532 -8.725 -1.136 1.00 0.61 H new ATOM 0 HD12 LEU B 9 2.928 -8.241 0.467 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.650 -8.039 0.067 1.00 0.61 H new ATOM 0 HD21 LEU B 9 4.901 -10.740 -1.402 1.00 0.59 H new ATOM 0 HD22 LEU B 9 6.094 -10.128 -0.232 1.00 0.59 H new ATOM 0 HD23 LEU B 9 5.348 -11.725 0.011 1.00 0.59 H new ATOM 141 N LEU B 10 5.874 -9.881 4.727 1.00 0.39 N ATOM 142 CA LEU B 10 6.179 -9.173 5.963 1.00 0.38 C ATOM 143 C LEU B 10 7.685 -9.036 6.164 1.00 0.35 C ATOM 144 O LEU B 10 8.165 -7.989 6.581 1.00 0.34 O ATOM 145 CB LEU B 10 5.576 -9.909 7.164 1.00 0.39 C ATOM 146 CG LEU B 10 4.440 -9.183 7.889 1.00 0.43 C ATOM 147 CD1 LEU B 10 4.142 -9.870 9.209 1.00 0.49 C ATOM 148 CD2 LEU B 10 4.783 -7.719 8.129 1.00 0.42 C ATOM 0 H LEU B 10 5.343 -10.741 4.862 1.00 0.39 H new ATOM 0 HA LEU B 10 5.742 -8.177 5.887 1.00 0.38 H new ATOM 0 HB2 LEU B 10 5.205 -10.876 6.825 1.00 0.39 H new ATOM 0 HB3 LEU B 10 6.372 -10.107 7.882 1.00 0.39 H new ATOM 0 HG LEU B 10 3.555 -9.223 7.254 1.00 0.43 H new ATOM 0 HD11 LEU B 10 3.332 -9.346 9.717 1.00 0.49 H new ATOM 0 HD12 LEU B 10 3.846 -10.902 9.023 1.00 0.49 H new ATOM 0 HD13 LEU B 10 5.033 -9.856 9.836 1.00 0.49 H new ATOM 0 HD21 LEU B 10 3.956 -7.232 8.646 1.00 0.42 H new ATOM 0 HD22 LEU B 10 5.683 -7.652 8.740 1.00 0.42 H new ATOM 0 HD23 LEU B 10 4.956 -7.224 7.173 1.00 0.42 H new ATOM 160 N ILE B 11 8.420 -10.096 5.851 1.00 0.35 N ATOM 161 CA ILE B 11 9.873 -10.115 6.019 1.00 0.35 C ATOM 162 C ILE B 11 10.552 -8.958 5.282 1.00 0.31 C ATOM 163 O ILE B 11 11.353 -8.232 5.870 1.00 0.37 O ATOM 164 CB ILE B 11 10.472 -11.466 5.547 1.00 0.39 C ATOM 165 CG1 ILE B 11 10.323 -12.530 6.636 1.00 0.74 C ATOM 166 CG2 ILE B 11 11.937 -11.321 5.153 1.00 0.46 C ATOM 167 CD1 ILE B 11 9.492 -13.718 6.206 1.00 1.04 C ATOM 0 H ILE B 11 8.032 -10.962 5.476 1.00 0.35 H new ATOM 0 HA ILE B 11 10.067 -9.994 7.085 1.00 0.35 H new ATOM 0 HB ILE B 11 9.915 -11.781 4.664 1.00 0.39 H new ATOM 0 HG12 ILE B 11 11.313 -12.877 6.932 1.00 0.74 H new ATOM 0 HG13 ILE B 11 9.867 -12.077 7.516 1.00 0.74 H new ATOM 0 HG21 ILE B 11 12.324 -12.287 4.828 1.00 0.46 H new ATOM 0 HG22 ILE B 11 12.025 -10.602 4.339 1.00 0.46 H new ATOM 0 HG23 ILE B 11 12.511 -10.970 6.010 1.00 0.46 H new ATOM 0 HD11 ILE B 11 9.428 -14.433 7.026 1.00 1.04 H new ATOM 0 HD12 ILE B 11 8.490 -13.383 5.937 1.00 1.04 H new ATOM 0 HD13 ILE B 11 9.958 -14.195 5.344 1.00 1.04 H new ATOM 179 N ILE B 12 10.220 -8.767 4.011 1.00 0.25 N ATOM 180 CA ILE B 12 10.838 -7.702 3.225 1.00 0.23 C ATOM 181 C ILE B 12 10.281 -6.337 3.610 1.00 0.23 C ATOM 182 O ILE B 12 11.028 -5.366 3.742 1.00 0.21 O ATOM 183 CB ILE B 12 10.639 -7.898 1.709 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.569 -9.374 1.348 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.783 -7.253 0.949 1.00 0.26 C ATOM 186 CD1 ILE B 12 9.976 -9.633 -0.021 1.00 0.32 C ATOM 0 H ILE B 12 9.534 -9.328 3.505 1.00 0.25 H new ATOM 0 HA ILE B 12 11.904 -7.748 3.449 1.00 0.23 H new ATOM 0 HB ILE B 12 9.696 -7.427 1.433 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.573 -9.797 1.387 1.00 0.27 H new ATOM 0 HG13 ILE B 12 9.974 -9.896 2.098 1.00 0.27 H new ATOM 0 HG21 ILE B 12 11.635 -7.396 -0.121 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.812 -6.186 1.172 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.724 -7.713 1.250 1.00 0.26 H new ATOM 0 HD11 ILE B 12 9.957 -10.706 -0.212 1.00 0.32 H new ATOM 0 HD12 ILE B 12 8.960 -9.240 -0.058 1.00 0.32 H new ATOM 0 HD13 ILE B 12 10.584 -9.140 -0.780 1.00 0.32 H new ATOM 198 N ALA B 13 8.967 -6.273 3.794 1.00 0.26 N ATOM 199 CA ALA B 13 8.309 -5.025 4.156 1.00 0.28 C ATOM 200 C ALA B 13 8.834 -4.507 5.501 1.00 0.26 C ATOM 201 O ALA B 13 8.994 -3.303 5.696 1.00 0.26 O ATOM 202 CB ALA B 13 6.801 -5.228 4.220 1.00 0.34 C ATOM 0 H ALA B 13 8.338 -7.070 3.698 1.00 0.26 H new ATOM 0 HA ALA B 13 8.533 -4.281 3.392 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.319 -4.289 4.491 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.436 -5.555 3.246 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.567 -5.985 4.968 1.00 0.34 H new ATOM 208 N VAL B 14 9.109 -5.438 6.420 1.00 0.25 N ATOM 209 CA VAL B 14 9.624 -5.103 7.749 1.00 0.25 C ATOM 210 C VAL B 14 10.993 -4.431 7.649 1.00 0.21 C ATOM 211 O VAL B 14 11.270 -3.454 8.350 1.00 0.21 O ATOM 212 CB VAL B 14 9.720 -6.368 8.648 1.00 0.29 C ATOM 213 CG1 VAL B 14 10.815 -6.236 9.694 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.389 -6.639 9.329 1.00 0.36 C ATOM 0 H VAL B 14 8.982 -6.438 6.264 1.00 0.25 H new ATOM 0 HA VAL B 14 8.923 -4.405 8.206 1.00 0.25 H new ATOM 0 HB VAL B 14 9.973 -7.207 8.000 1.00 0.29 H new ATOM 0 HG11 VAL B 14 10.849 -7.141 10.301 1.00 0.28 H new ATOM 0 HG12 VAL B 14 11.776 -6.095 9.199 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.606 -5.378 10.333 1.00 0.28 H new ATOM 0 HG21 VAL B 14 8.474 -7.528 9.954 1.00 0.36 H new ATOM 0 HG22 VAL B 14 8.117 -5.785 9.948 1.00 0.36 H new ATOM 0 HG23 VAL B 14 7.620 -6.799 8.574 1.00 0.36 H new ATOM 224 N ILE B 15 11.836 -4.948 6.762 1.00 0.19 N ATOM 225 CA ILE B 15 13.169 -4.395 6.562 1.00 0.19 C ATOM 226 C ILE B 15 13.061 -2.980 5.995 1.00 0.18 C ATOM 227 O ILE B 15 13.880 -2.108 6.285 1.00 0.22 O ATOM 228 CB ILE B 15 14.011 -5.287 5.614 1.00 0.20 C ATOM 229 CG1 ILE B 15 14.124 -6.707 6.184 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.393 -4.693 5.398 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.766 -7.699 5.236 1.00 0.28 C ATOM 0 H ILE B 15 11.619 -5.750 6.170 1.00 0.19 H new ATOM 0 HA ILE B 15 13.674 -4.362 7.527 1.00 0.19 H new ATOM 0 HB ILE B 15 13.506 -5.334 4.649 1.00 0.20 H new ATOM 0 HG12 ILE B 15 14.704 -6.673 7.106 1.00 0.24 H new ATOM 0 HG13 ILE B 15 13.128 -7.063 6.447 1.00 0.24 H new ATOM 0 HG21 ILE B 15 15.965 -5.336 4.730 1.00 0.23 H new ATOM 0 HG22 ILE B 15 15.298 -3.702 4.954 1.00 0.23 H new ATOM 0 HG23 ILE B 15 15.909 -4.614 6.355 1.00 0.23 H new ATOM 0 HD11 ILE B 15 14.810 -8.679 5.710 1.00 0.28 H new ATOM 0 HD12 ILE B 15 14.175 -7.764 4.323 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.776 -7.368 4.992 1.00 0.28 H new ATOM 243 N VAL B 16 12.009 -2.760 5.215 1.00 0.18 N ATOM 244 CA VAL B 16 11.747 -1.470 4.593 1.00 0.21 C ATOM 245 C VAL B 16 11.495 -0.383 5.644 1.00 0.22 C ATOM 246 O VAL B 16 11.885 0.769 5.461 1.00 0.24 O ATOM 247 CB VAL B 16 10.543 -1.576 3.618 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.621 -0.361 3.681 1.00 0.26 C ATOM 249 CG2 VAL B 16 11.042 -1.794 2.201 1.00 0.28 C ATOM 0 H VAL B 16 11.313 -3.473 4.996 1.00 0.18 H new ATOM 0 HA VAL B 16 12.634 -1.184 4.027 1.00 0.21 H new ATOM 0 HB VAL B 16 9.948 -2.433 3.933 1.00 0.24 H new ATOM 0 HG11 VAL B 16 8.798 -0.492 2.978 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.223 -0.258 4.691 1.00 0.26 H new ATOM 0 HG13 VAL B 16 10.183 0.536 3.419 1.00 0.26 H new ATOM 0 HG21 VAL B 16 10.192 -1.867 1.523 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.672 -0.955 1.904 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.622 -2.716 2.157 1.00 0.28 H new ATOM 259 N VAL B 17 10.873 -0.765 6.754 1.00 0.23 N ATOM 260 CA VAL B 17 10.560 0.177 7.824 1.00 0.27 C ATOM 261 C VAL B 17 11.811 0.909 8.316 1.00 0.28 C ATOM 262 O VAL B 17 11.855 2.143 8.327 1.00 0.33 O ATOM 263 CB VAL B 17 9.871 -0.521 9.019 1.00 0.29 C ATOM 264 CG1 VAL B 17 9.396 0.507 10.032 1.00 0.35 C ATOM 265 CG2 VAL B 17 8.702 -1.374 8.543 1.00 0.30 C ATOM 0 H VAL B 17 10.575 -1.723 6.937 1.00 0.23 H new ATOM 0 HA VAL B 17 9.870 0.906 7.399 1.00 0.27 H new ATOM 0 HB VAL B 17 10.600 -1.174 9.500 1.00 0.29 H new ATOM 0 HG11 VAL B 17 8.913 -0.001 10.867 1.00 0.35 H new ATOM 0 HG12 VAL B 17 10.249 1.078 10.399 1.00 0.35 H new ATOM 0 HG13 VAL B 17 8.684 1.183 9.558 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.231 -1.856 9.400 1.00 0.30 H new ATOM 0 HG22 VAL B 17 7.973 -0.742 8.036 1.00 0.30 H new ATOM 0 HG23 VAL B 17 9.065 -2.135 7.852 1.00 0.30 H new ATOM 275 N LEU B 18 12.835 0.145 8.682 1.00 0.29 N ATOM 276 CA LEU B 18 14.081 0.718 9.180 1.00 0.32 C ATOM 277 C LEU B 18 14.917 1.293 8.041 1.00 0.33 C ATOM 278 O LEU B 18 15.689 2.233 8.240 1.00 0.44 O ATOM 279 CB LEU B 18 14.891 -0.336 9.939 1.00 0.32 C ATOM 280 CG LEU B 18 15.179 -1.621 9.163 1.00 0.28 C ATOM 281 CD1 LEU B 18 16.677 -1.838 9.035 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.525 -2.812 9.841 1.00 0.24 C ATOM 0 H LEU B 18 12.827 -0.874 8.643 1.00 0.29 H new ATOM 0 HA LEU B 18 13.824 1.529 9.862 1.00 0.32 H new ATOM 0 HB2 LEU B 18 15.840 0.107 10.241 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.355 -0.595 10.852 1.00 0.32 H new ATOM 0 HG LEU B 18 14.757 -1.522 8.163 1.00 0.28 H new ATOM 0 HD11 LEU B 18 16.865 -2.757 8.480 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.123 -0.996 8.505 1.00 0.33 H new ATOM 0 HD13 LEU B 18 17.119 -1.917 10.028 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.741 -3.717 9.274 1.00 0.24 H new ATOM 0 HD22 LEU B 18 14.917 -2.915 10.853 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.447 -2.659 9.884 1.00 0.24 H new ATOM 294 N LEU B 19 14.749 0.730 6.851 1.00 0.26 N ATOM 295 CA LEU B 19 15.483 1.167 5.667 1.00 0.28 C ATOM 296 C LEU B 19 15.276 2.660 5.405 1.00 0.31 C ATOM 297 O LEU B 19 16.213 3.371 5.044 1.00 0.35 O ATOM 298 CB LEU B 19 15.024 0.353 4.446 1.00 0.24 C ATOM 299 CG LEU B 19 16.125 -0.029 3.453 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.603 -1.021 2.421 1.00 0.22 C ATOM 301 CD2 LEU B 19 16.655 1.206 2.754 1.00 0.28 C ATOM 0 H LEU B 19 14.103 -0.040 6.678 1.00 0.26 H new ATOM 0 HA LEU B 19 16.546 1.000 5.842 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.546 -0.560 4.800 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.264 0.926 3.915 1.00 0.24 H new ATOM 0 HG LEU B 19 16.935 -0.500 4.011 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.403 -1.278 1.726 1.00 0.22 H new ATOM 0 HD12 LEU B 19 15.257 -1.923 2.926 1.00 0.22 H new ATOM 0 HD13 LEU B 19 14.775 -0.573 1.872 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.437 0.919 2.051 1.00 0.28 H new ATOM 0 HD22 LEU B 19 15.844 1.695 2.214 1.00 0.28 H new ATOM 0 HD23 LEU B 19 17.066 1.894 3.493 1.00 0.28 H new ATOM 313 N PHE B 20 14.057 3.136 5.615 1.00 0.32 N ATOM 314 CA PHE B 20 13.739 4.535 5.360 1.00 0.37 C ATOM 315 C PHE B 20 13.434 5.293 6.650 1.00 0.40 C ATOM 316 O PHE B 20 12.811 6.354 6.617 1.00 0.59 O ATOM 317 CB PHE B 20 12.569 4.619 4.372 1.00 0.39 C ATOM 318 CG PHE B 20 12.647 3.543 3.332 1.00 0.34 C ATOM 319 CD1 PHE B 20 13.731 3.473 2.473 1.00 1.05 C ATOM 320 CD2 PHE B 20 11.673 2.572 3.246 1.00 0.96 C ATOM 321 CE1 PHE B 20 13.831 2.454 1.551 1.00 1.02 C ATOM 322 CE2 PHE B 20 11.781 1.545 2.332 1.00 0.97 C ATOM 323 CZ PHE B 20 12.861 1.487 1.484 1.00 0.29 C ATOM 0 H PHE B 20 13.275 2.578 5.959 1.00 0.32 H new ATOM 0 HA PHE B 20 14.613 5.015 4.919 1.00 0.37 H new ATOM 0 HB2 PHE B 20 11.627 4.534 4.914 1.00 0.39 H new ATOM 0 HB3 PHE B 20 12.571 5.595 3.887 1.00 0.39 H new ATOM 0 HD1 PHE B 20 14.505 4.224 2.526 1.00 1.05 H new ATOM 0 HD2 PHE B 20 10.816 2.616 3.901 1.00 0.96 H new ATOM 0 HE1 PHE B 20 14.676 2.417 0.879 1.00 1.02 H new ATOM 0 HE2 PHE B 20 11.015 0.785 2.282 1.00 0.97 H new ATOM 0 HZ PHE B 20 12.945 0.683 0.768 1.00 0.29 H new ATOM 333 N GLY B 21 13.875 4.736 7.777 1.00 0.30 N ATOM 334 CA GLY B 21 13.669 5.363 9.079 1.00 0.33 C ATOM 335 C GLY B 21 12.233 5.789 9.340 1.00 0.27 C ATOM 336 O GLY B 21 11.998 6.890 9.838 1.00 0.34 O ATOM 0 H GLY B 21 14.378 3.850 7.813 1.00 0.30 H new ATOM 0 HA2 GLY B 21 13.978 4.667 9.859 1.00 0.33 H new ATOM 0 HA3 GLY B 21 14.316 6.237 9.157 1.00 0.33 H new ATOM 340 N THR B 22 11.282 4.922 8.985 1.00 0.27 N ATOM 341 CA THR B 22 9.840 5.165 9.172 1.00 0.33 C ATOM 342 C THR B 22 9.354 6.481 8.540 1.00 0.42 C ATOM 343 O THR B 22 8.241 6.927 8.811 1.00 0.59 O ATOM 344 CB THR B 22 9.429 5.127 10.669 1.00 0.35 C ATOM 345 OG1 THR B 22 10.079 6.163 11.414 1.00 0.85 O ATOM 346 CG2 THR B 22 9.762 3.780 11.292 1.00 0.74 C ATOM 0 H THR B 22 11.488 4.020 8.555 1.00 0.27 H new ATOM 0 HA THR B 22 9.350 4.345 8.647 1.00 0.33 H new ATOM 0 HB THR B 22 8.351 5.285 10.708 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.596 6.730 10.804 1.00 0.85 H new ATOM 0 HG21 THR B 22 9.464 3.780 12.340 1.00 0.74 H new ATOM 0 HG22 THR B 22 9.226 2.992 10.763 1.00 0.74 H new ATOM 0 HG23 THR B 22 10.835 3.601 11.220 1.00 0.74 H new ATOM 354 N LYS B 23 10.169 7.083 7.680 1.00 0.41 N ATOM 355 CA LYS B 23 9.796 8.333 7.031 1.00 0.58 C ATOM 356 C LYS B 23 8.738 8.088 5.962 1.00 0.73 C ATOM 357 O LYS B 23 7.664 8.691 5.986 1.00 1.13 O ATOM 358 CB LYS B 23 11.027 8.995 6.412 1.00 0.57 C ATOM 359 CG LYS B 23 11.973 9.590 7.443 1.00 0.79 C ATOM 360 CD LYS B 23 13.284 10.043 6.818 1.00 0.96 C ATOM 361 CE LYS B 23 13.079 11.182 5.833 1.00 1.41 C ATOM 362 NZ LYS B 23 14.358 11.851 5.495 1.00 1.89 N ATOM 0 H LYS B 23 11.088 6.727 7.418 1.00 0.41 H new ATOM 0 HA LYS B 23 9.378 9.000 7.784 1.00 0.58 H new ATOM 0 HB2 LYS B 23 11.566 8.258 5.817 1.00 0.57 H new ATOM 0 HB3 LYS B 23 10.704 9.781 5.730 1.00 0.57 H new ATOM 0 HG2 LYS B 23 11.492 10.438 7.930 1.00 0.79 H new ATOM 0 HG3 LYS B 23 12.177 8.851 8.218 1.00 0.79 H new ATOM 0 HD2 LYS B 23 13.970 10.361 7.603 1.00 0.96 H new ATOM 0 HD3 LYS B 23 13.753 9.202 6.308 1.00 0.96 H new ATOM 0 HE2 LYS B 23 12.618 10.798 4.923 1.00 1.41 H new ATOM 0 HE3 LYS B 23 12.388 11.911 6.258 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 14.179 12.622 4.821 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 14.786 12.239 6.360 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 15.008 11.161 5.067 1.00 1.89 H new ATOM 376 N LYS B 24 9.046 7.185 5.037 1.00 0.73 N ATOM 377 CA LYS B 24 8.128 6.848 3.956 1.00 1.03 C ATOM 378 C LYS B 24 6.819 6.315 4.517 1.00 0.71 C ATOM 379 O LYS B 24 5.745 6.838 4.242 1.00 0.55 O ATOM 380 CB LYS B 24 8.761 5.795 3.035 1.00 1.60 C ATOM 381 CG LYS B 24 7.919 5.440 1.817 1.00 2.50 C ATOM 382 CD LYS B 24 6.980 4.271 2.087 1.00 3.67 C ATOM 383 CE LYS B 24 7.709 2.936 2.064 1.00 4.88 C ATOM 384 NZ LYS B 24 6.764 1.795 2.161 1.00 5.98 N ATOM 0 H LYS B 24 9.927 6.672 5.015 1.00 0.73 H new ATOM 0 HA LYS B 24 7.925 7.752 3.382 1.00 1.03 H new ATOM 0 HB2 LYS B 24 9.731 6.160 2.698 1.00 1.60 H new ATOM 0 HB3 LYS B 24 8.945 4.888 3.612 1.00 1.60 H new ATOM 0 HG2 LYS B 24 7.336 6.310 1.515 1.00 2.50 H new ATOM 0 HG3 LYS B 24 8.576 5.191 0.983 1.00 2.50 H new ATOM 0 HD2 LYS B 24 6.503 4.406 3.057 1.00 3.67 H new ATOM 0 HD3 LYS B 24 6.187 4.263 1.340 1.00 3.67 H new ATOM 0 HE2 LYS B 24 8.288 2.853 1.144 1.00 4.88 H new ATOM 0 HE3 LYS B 24 8.418 2.894 2.891 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 7.296 0.901 2.142 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 6.230 1.861 3.051 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 6.104 1.822 1.358 1.00 5.98 H new ATOM 398 N LEU B 25 6.933 5.293 5.339 1.00 0.71 N ATOM 399 CA LEU B 25 5.777 4.640 5.936 1.00 0.62 C ATOM 400 C LEU B 25 5.025 5.570 6.884 1.00 0.44 C ATOM 401 O LEU B 25 3.888 5.295 7.260 1.00 0.56 O ATOM 402 CB LEU B 25 6.238 3.384 6.669 1.00 0.76 C ATOM 403 CG LEU B 25 7.265 2.544 5.905 1.00 0.71 C ATOM 404 CD1 LEU B 25 8.665 2.794 6.445 1.00 0.86 C ATOM 405 CD2 LEU B 25 6.911 1.069 5.991 1.00 0.75 C ATOM 0 H LEU B 25 7.828 4.888 5.615 1.00 0.71 H new ATOM 0 HA LEU B 25 5.083 4.370 5.140 1.00 0.62 H new ATOM 0 HB2 LEU B 25 6.667 3.675 7.628 1.00 0.76 H new ATOM 0 HB3 LEU B 25 5.368 2.764 6.884 1.00 0.76 H new ATOM 0 HG LEU B 25 7.246 2.841 4.856 1.00 0.71 H new ATOM 0 HD11 LEU B 25 9.382 2.189 5.891 1.00 0.86 H new ATOM 0 HD12 LEU B 25 8.916 3.849 6.332 1.00 0.86 H new ATOM 0 HD13 LEU B 25 8.702 2.524 7.500 1.00 0.86 H new ATOM 0 HD21 LEU B 25 7.650 0.485 5.443 1.00 0.75 H new ATOM 0 HD22 LEU B 25 6.903 0.757 7.035 1.00 0.75 H new ATOM 0 HD23 LEU B 25 5.925 0.906 5.556 1.00 0.75 H new ATOM 417 N GLY B 26 5.656 6.675 7.252 1.00 0.42 N ATOM 418 CA GLY B 26 5.026 7.616 8.141 1.00 0.53 C ATOM 419 C GLY B 26 4.203 8.643 7.396 1.00 0.60 C ATOM 420 O GLY B 26 2.996 8.743 7.600 1.00 0.87 O ATOM 0 H GLY B 26 6.595 6.933 6.948 1.00 0.42 H new ATOM 0 HA2 GLY B 26 4.386 7.079 8.842 1.00 0.53 H new ATOM 0 HA3 GLY B 26 5.790 8.123 8.731 1.00 0.53 H new ATOM 424 N SER B 27 4.848 9.392 6.513 1.00 0.53 N ATOM 425 CA SER B 27 4.165 10.430 5.748 1.00 0.58 C ATOM 426 C SER B 27 3.137 9.848 4.779 1.00 0.51 C ATOM 427 O SER B 27 1.954 10.181 4.857 1.00 0.53 O ATOM 428 CB SER B 27 5.183 11.283 4.995 1.00 0.66 C ATOM 429 OG SER B 27 6.102 11.875 5.898 1.00 0.89 O ATOM 0 H SER B 27 5.843 9.302 6.307 1.00 0.53 H new ATOM 0 HA SER B 27 3.623 11.056 6.456 1.00 0.58 H new ATOM 0 HB2 SER B 27 5.719 10.667 4.273 1.00 0.66 H new ATOM 0 HB3 SER B 27 4.668 12.060 4.430 1.00 0.66 H new ATOM 0 HG SER B 27 6.748 12.417 5.399 1.00 0.89 H new ATOM 435 N ILE B 28 3.574 8.969 3.883 1.00 0.47 N ATOM 436 CA ILE B 28 2.667 8.373 2.908 1.00 0.44 C ATOM 437 C ILE B 28 1.677 7.450 3.624 1.00 0.42 C ATOM 438 O ILE B 28 0.552 7.235 3.166 1.00 0.41 O ATOM 439 CB ILE B 28 3.430 7.585 1.806 1.00 0.49 C ATOM 440 CG1 ILE B 28 3.400 6.071 2.061 1.00 1.16 C ATOM 441 CG2 ILE B 28 4.866 8.073 1.722 1.00 0.80 C ATOM 442 CD1 ILE B 28 3.804 5.248 0.857 1.00 1.25 C ATOM 0 H ILE B 28 4.542 8.655 3.811 1.00 0.47 H new ATOM 0 HA ILE B 28 2.129 9.183 2.415 1.00 0.44 H new ATOM 0 HB ILE B 28 2.926 7.768 0.857 1.00 0.49 H new ATOM 0 HG12 ILE B 28 4.066 5.837 2.891 1.00 1.16 H new ATOM 0 HG13 ILE B 28 2.395 5.782 2.368 1.00 1.16 H new ATOM 0 HG21 ILE B 28 5.395 7.517 0.948 1.00 0.80 H new ATOM 0 HG22 ILE B 28 4.876 9.135 1.476 1.00 0.80 H new ATOM 0 HG23 ILE B 28 5.360 7.918 2.681 1.00 0.80 H new ATOM 0 HD11 ILE B 28 3.760 4.188 1.109 1.00 1.25 H new ATOM 0 HD12 ILE B 28 3.123 5.453 0.031 1.00 1.25 H new ATOM 0 HD13 ILE B 28 4.821 5.509 0.562 1.00 1.25 H new ATOM 454 N GLY B 29 2.115 6.930 4.769 1.00 0.46 N ATOM 455 CA GLY B 29 1.297 6.027 5.552 1.00 0.48 C ATOM 456 C GLY B 29 0.136 6.719 6.231 1.00 0.46 C ATOM 457 O GLY B 29 -0.990 6.241 6.170 1.00 0.50 O ATOM 0 H GLY B 29 3.033 7.123 5.169 1.00 0.46 H new ATOM 0 HA2 GLY B 29 0.914 5.238 4.904 1.00 0.48 H new ATOM 0 HA3 GLY B 29 1.918 5.546 6.307 1.00 0.48 H new ATOM 461 N SER B 30 0.402 7.841 6.885 1.00 0.43 N ATOM 462 CA SER B 30 -0.643 8.589 7.573 1.00 0.45 C ATOM 463 C SER B 30 -1.707 9.075 6.595 1.00 0.42 C ATOM 464 O SER B 30 -2.906 8.975 6.864 1.00 0.45 O ATOM 465 CB SER B 30 -0.041 9.781 8.318 1.00 0.47 C ATOM 466 OG SER B 30 0.584 9.371 9.520 1.00 0.94 O ATOM 0 H SER B 30 1.332 8.254 6.954 1.00 0.43 H new ATOM 0 HA SER B 30 -1.116 7.919 8.291 1.00 0.45 H new ATOM 0 HB2 SER B 30 0.686 10.282 7.680 1.00 0.47 H new ATOM 0 HB3 SER B 30 -0.823 10.507 8.541 1.00 0.47 H new ATOM 0 HG SER B 30 1.491 9.056 9.326 1.00 0.94 H new ATOM 472 N ASP B 31 -1.259 9.572 5.447 1.00 0.37 N ATOM 473 CA ASP B 31 -2.163 10.092 4.429 1.00 0.38 C ATOM 474 C ASP B 31 -3.062 8.994 3.874 1.00 0.37 C ATOM 475 O ASP B 31 -4.285 9.151 3.802 1.00 0.39 O ATOM 476 CB ASP B 31 -1.373 10.745 3.298 1.00 0.38 C ATOM 477 CG ASP B 31 -1.556 12.250 3.261 1.00 0.96 C ATOM 478 OD1 ASP B 31 -0.862 12.955 4.019 1.00 1.48 O ATOM 479 OD2 ASP B 31 -2.387 12.729 2.461 1.00 1.35 O ATOM 0 H ASP B 31 -0.271 9.625 5.198 1.00 0.37 H new ATOM 0 HA ASP B 31 -2.797 10.844 4.900 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -0.315 10.513 3.416 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -1.688 10.320 2.345 1.00 0.38 H new ATOM 484 N LEU B 32 -2.461 7.873 3.495 1.00 0.36 N ATOM 485 CA LEU B 32 -3.230 6.761 2.955 1.00 0.36 C ATOM 486 C LEU B 32 -3.981 6.025 4.053 1.00 0.38 C ATOM 487 O LEU B 32 -4.967 5.343 3.785 1.00 0.40 O ATOM 488 CB LEU B 32 -2.347 5.806 2.157 1.00 0.36 C ATOM 489 CG LEU B 32 -2.396 6.046 0.651 1.00 0.38 C ATOM 490 CD1 LEU B 32 -1.143 6.749 0.163 1.00 0.59 C ATOM 491 CD2 LEU B 32 -2.601 4.753 -0.101 1.00 0.57 C ATOM 0 H LEU B 32 -1.455 7.711 3.551 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.967 7.178 2.269 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -1.317 5.905 2.499 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.655 4.781 2.364 1.00 0.36 H new ATOM 0 HG LEU B 32 -3.249 6.696 0.453 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -1.209 6.905 -0.914 1.00 0.59 H new ATOM 0 HD12 LEU B 32 -1.048 7.712 0.664 1.00 0.59 H new ATOM 0 HD13 LEU B 32 -0.271 6.135 0.388 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -2.632 4.956 -1.172 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -1.778 4.072 0.116 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -3.541 4.297 0.209 1.00 0.57 H new ATOM 503 N GLY B 33 -3.524 6.168 5.288 1.00 0.38 N ATOM 504 CA GLY B 33 -4.202 5.534 6.402 1.00 0.39 C ATOM 505 C GLY B 33 -5.557 6.161 6.614 1.00 0.41 C ATOM 506 O GLY B 33 -6.541 5.478 6.894 1.00 0.42 O ATOM 0 H GLY B 33 -2.698 6.710 5.540 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -4.313 4.467 6.209 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.602 5.634 7.306 1.00 0.39 H new ATOM 510 N ALA B 34 -5.602 7.478 6.462 1.00 0.41 N ATOM 511 CA ALA B 34 -6.840 8.230 6.595 1.00 0.44 C ATOM 512 C ALA B 34 -7.766 7.904 5.437 1.00 0.44 C ATOM 513 O ALA B 34 -8.989 7.947 5.554 1.00 0.49 O ATOM 514 CB ALA B 34 -6.543 9.718 6.612 1.00 0.44 C ATOM 0 H ALA B 34 -4.787 8.051 6.244 1.00 0.41 H new ATOM 0 HA ALA B 34 -7.325 7.954 7.531 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.475 10.274 6.712 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -5.891 9.949 7.454 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -6.049 10.001 5.682 1.00 0.44 H new ATOM 520 N SER B 35 -7.156 7.576 4.317 1.00 0.42 N ATOM 521 CA SER B 35 -7.880 7.238 3.113 1.00 0.42 C ATOM 522 C SER B 35 -8.440 5.820 3.196 1.00 0.41 C ATOM 523 O SER B 35 -9.506 5.530 2.653 1.00 0.40 O ATOM 524 CB SER B 35 -6.947 7.384 1.915 1.00 0.43 C ATOM 525 OG SER B 35 -6.370 8.680 1.895 1.00 0.48 O ATOM 0 H SER B 35 -6.142 7.537 4.218 1.00 0.42 H new ATOM 0 HA SER B 35 -8.725 7.917 2.997 1.00 0.42 H new ATOM 0 HB2 SER B 35 -6.162 6.630 1.963 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.500 7.210 0.992 1.00 0.43 H new ATOM 0 HG SER B 35 -5.684 8.743 2.592 1.00 0.48 H new ATOM 531 N ILE B 36 -7.733 4.944 3.904 1.00 0.45 N ATOM 532 CA ILE B 36 -8.156 3.559 4.042 1.00 0.47 C ATOM 533 C ILE B 36 -9.433 3.440 4.878 1.00 0.43 C ATOM 534 O ILE B 36 -10.279 2.586 4.608 1.00 0.43 O ATOM 535 CB ILE B 36 -7.024 2.669 4.626 1.00 0.57 C ATOM 536 CG1 ILE B 36 -7.011 1.309 3.926 1.00 0.68 C ATOM 537 CG2 ILE B 36 -7.147 2.491 6.134 1.00 0.55 C ATOM 538 CD1 ILE B 36 -6.518 1.377 2.499 1.00 1.03 C ATOM 0 H ILE B 36 -6.865 5.171 4.390 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.380 3.194 3.040 1.00 0.47 H new ATOM 0 HB ILE B 36 -6.079 3.180 4.441 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -6.378 0.624 4.490 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -8.019 0.893 3.936 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -6.333 1.862 6.494 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -7.095 3.465 6.621 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -8.101 2.019 6.368 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -6.534 0.379 2.061 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -7.165 2.037 1.922 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -5.499 1.764 2.484 1.00 1.03 H new ATOM 550 N LYS B 37 -9.596 4.310 5.873 1.00 0.42 N ATOM 551 CA LYS B 37 -10.789 4.268 6.713 1.00 0.41 C ATOM 552 C LYS B 37 -12.005 4.731 5.919 1.00 0.43 C ATOM 553 O LYS B 37 -13.136 4.354 6.219 1.00 0.55 O ATOM 554 CB LYS B 37 -10.609 5.113 7.983 1.00 0.44 C ATOM 555 CG LYS B 37 -10.552 6.615 7.744 1.00 0.46 C ATOM 556 CD LYS B 37 -10.178 7.367 9.012 1.00 0.51 C ATOM 557 CE LYS B 37 -10.044 8.864 8.761 1.00 0.58 C ATOM 558 NZ LYS B 37 -9.558 9.590 9.965 1.00 0.70 N ATOM 0 H LYS B 37 -8.928 5.042 6.114 1.00 0.42 H new ATOM 0 HA LYS B 37 -10.949 3.237 7.028 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -11.431 4.898 8.666 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -9.691 4.803 8.482 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.824 6.833 6.962 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -11.520 6.964 7.385 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -10.936 7.193 9.776 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -9.237 6.978 9.402 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -9.355 9.032 7.933 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -11.010 9.269 8.459 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -9.481 10.605 9.751 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -10.228 9.451 10.748 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -8.625 9.222 10.239 1.00 0.70 H new ATOM 572 N GLY B 38 -11.758 5.533 4.889 1.00 0.36 N ATOM 573 CA GLY B 38 -12.830 6.022 4.051 1.00 0.42 C ATOM 574 C GLY B 38 -13.110 5.076 2.900 1.00 0.44 C ATOM 575 O GLY B 38 -14.229 5.018 2.390 1.00 0.51 O ATOM 0 H GLY B 38 -10.827 5.853 4.621 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.733 6.147 4.649 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -12.568 7.005 3.660 1.00 0.42 H new ATOM 579 N PHE B 39 -12.086 4.322 2.512 1.00 0.44 N ATOM 580 CA PHE B 39 -12.188 3.363 1.422 1.00 0.52 C ATOM 581 C PHE B 39 -13.129 2.225 1.799 1.00 0.43 C ATOM 582 O PHE B 39 -13.949 1.794 0.992 1.00 0.48 O ATOM 583 CB PHE B 39 -10.783 2.838 1.056 1.00 0.70 C ATOM 584 CG PHE B 39 -10.656 1.337 0.971 1.00 0.74 C ATOM 585 CD1 PHE B 39 -10.915 0.674 -0.216 1.00 0.74 C ATOM 586 CD2 PHE B 39 -10.266 0.593 2.076 1.00 1.21 C ATOM 587 CE1 PHE B 39 -10.798 -0.700 -0.301 1.00 1.06 C ATOM 588 CE2 PHE B 39 -10.148 -0.781 1.997 1.00 1.48 C ATOM 589 CZ PHE B 39 -10.411 -1.428 0.806 1.00 1.36 C ATOM 0 H PHE B 39 -11.163 4.360 2.945 1.00 0.44 H new ATOM 0 HA PHE B 39 -12.607 3.857 0.545 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -10.492 3.265 0.096 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.072 3.205 1.797 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -11.213 1.238 -1.087 1.00 0.74 H new ATOM 0 HD2 PHE B 39 -10.052 1.094 3.008 1.00 1.21 H new ATOM 0 HE1 PHE B 39 -11.009 -1.204 -1.233 1.00 1.06 H new ATOM 0 HE2 PHE B 39 -9.850 -1.349 2.866 1.00 1.48 H new ATOM 0 HZ PHE B 39 -10.314 -2.502 0.741 1.00 1.36 H new ATOM 599 N LYS B 40 -13.027 1.757 3.035 1.00 0.41 N ATOM 600 CA LYS B 40 -13.874 0.670 3.497 1.00 0.44 C ATOM 601 C LYS B 40 -15.174 1.215 4.080 1.00 0.43 C ATOM 602 O LYS B 40 -16.121 0.472 4.319 1.00 0.50 O ATOM 603 CB LYS B 40 -13.133 -0.192 4.527 1.00 0.52 C ATOM 604 CG LYS B 40 -13.797 -1.534 4.804 1.00 0.86 C ATOM 605 CD LYS B 40 -13.915 -2.370 3.535 1.00 0.97 C ATOM 606 CE LYS B 40 -14.568 -3.719 3.800 1.00 1.34 C ATOM 607 NZ LYS B 40 -14.521 -4.606 2.605 1.00 1.61 N ATOM 0 H LYS B 40 -12.370 2.111 3.731 1.00 0.41 H new ATOM 0 HA LYS B 40 -14.122 0.040 2.643 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -12.116 -0.367 4.175 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -13.055 0.363 5.462 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -13.219 -2.081 5.549 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -14.788 -1.371 5.227 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -14.499 -1.824 2.794 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -12.924 -2.524 3.109 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -14.065 -4.208 4.634 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -15.605 -3.567 4.098 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -14.976 -5.514 2.828 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -15.023 -4.152 1.816 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -13.531 -4.773 2.335 1.00 1.61 H new ATOM 621 N LYS B 41 -15.221 2.527 4.283 1.00 0.40 N ATOM 622 CA LYS B 41 -16.409 3.171 4.830 1.00 0.45 C ATOM 623 C LYS B 41 -17.542 3.167 3.803 1.00 0.41 C ATOM 624 O LYS B 41 -18.696 3.432 4.136 1.00 0.48 O ATOM 625 CB LYS B 41 -16.085 4.601 5.274 1.00 0.53 C ATOM 626 CG LYS B 41 -17.121 5.195 6.208 1.00 0.66 C ATOM 627 CD LYS B 41 -16.519 6.239 7.135 1.00 0.77 C ATOM 628 CE LYS B 41 -17.561 6.787 8.100 1.00 0.94 C ATOM 629 NZ LYS B 41 -18.276 5.698 8.815 1.00 1.04 N ATOM 0 H LYS B 41 -14.452 3.164 4.077 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.738 2.607 5.703 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -15.114 4.608 5.770 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -15.997 5.235 4.392 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -17.920 5.648 5.622 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -17.572 4.400 6.802 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -15.696 5.798 7.697 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -16.101 7.055 6.545 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -17.077 7.441 8.825 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -18.280 7.396 7.552 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -18.771 6.091 9.641 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -18.967 5.257 8.175 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -17.591 4.982 9.131 1.00 1.04 H new ATOM 643 N ALA B 42 -17.204 2.864 2.556 1.00 0.32 N ATOM 644 CA ALA B 42 -18.198 2.800 1.493 1.00 0.29 C ATOM 645 C ALA B 42 -18.714 1.374 1.357 1.00 0.27 C ATOM 646 O ALA B 42 -19.561 1.084 0.519 1.00 0.41 O ATOM 647 CB ALA B 42 -17.617 3.299 0.173 1.00 0.31 C ATOM 0 H ALA B 42 -16.251 2.659 2.257 1.00 0.32 H new ATOM 0 HA ALA B 42 -19.032 3.452 1.752 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.379 3.241 -0.605 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -17.292 4.333 0.286 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.765 2.679 -0.107 1.00 0.31 H new ATOM 653 N MET B 43 -18.190 0.491 2.194 1.00 0.37 N ATOM 654 CA MET B 43 -18.582 -0.912 2.195 1.00 0.43 C ATOM 655 C MET B 43 -18.645 -1.433 3.629 1.00 0.48 C ATOM 656 O MET B 43 -18.347 -2.603 3.893 1.00 0.72 O ATOM 657 CB MET B 43 -17.582 -1.750 1.393 1.00 0.54 C ATOM 658 CG MET B 43 -17.541 -1.427 -0.093 1.00 0.75 C ATOM 659 SD MET B 43 -16.086 -0.465 -0.556 1.00 1.39 S ATOM 660 CE MET B 43 -14.777 -1.626 -0.162 1.00 1.21 C ATOM 0 H MET B 43 -17.483 0.725 2.890 1.00 0.37 H new ATOM 0 HA MET B 43 -19.565 -0.995 1.732 1.00 0.43 H new ATOM 0 HB2 MET B 43 -16.586 -1.604 1.812 1.00 0.54 H new ATOM 0 HB3 MET B 43 -17.829 -2.805 1.517 1.00 0.54 H new ATOM 0 HG2 MET B 43 -17.554 -2.356 -0.663 1.00 0.75 H new ATOM 0 HG3 MET B 43 -18.440 -0.873 -0.365 1.00 0.75 H new ATOM 0 HE1 MET B 43 -14.158 -1.219 0.638 1.00 1.21 H new ATOM 0 HE2 MET B 43 -15.214 -2.571 0.162 1.00 1.21 H new ATOM 0 HE3 MET B 43 -14.162 -1.795 -1.046 1.00 1.21 H new ATOM 670 N SER B 44 -19.020 -0.562 4.553 1.00 0.56 N ATOM 671 CA SER B 44 -19.101 -0.932 5.956 1.00 0.66 C ATOM 672 C SER B 44 -20.551 -1.023 6.419 1.00 0.66 C ATOM 673 O SER B 44 -21.270 -0.022 6.421 1.00 0.99 O ATOM 674 CB SER B 44 -18.330 0.075 6.817 1.00 0.88 C ATOM 675 OG SER B 44 -18.686 1.410 6.491 1.00 1.35 O ATOM 0 H SER B 44 -19.273 0.406 4.356 1.00 0.56 H new ATOM 0 HA SER B 44 -18.648 -1.916 6.072 1.00 0.66 H new ATOM 0 HB2 SER B 44 -18.536 -0.112 7.871 1.00 0.88 H new ATOM 0 HB3 SER B 44 -17.259 -0.064 6.672 1.00 0.88 H new ATOM 0 HG SER B 44 -19.655 1.467 6.357 1.00 1.35 H new ATOM 782 N ILE A 6 3.301 -10.363 -6.847 1.00 0.84 N ATOM 783 CA ILE A 6 3.486 -9.480 -5.690 1.00 0.75 C ATOM 784 C ILE A 6 4.763 -9.811 -4.917 1.00 0.65 C ATOM 785 O ILE A 6 5.440 -8.916 -4.416 1.00 0.61 O ATOM 786 CB ILE A 6 2.280 -9.543 -4.721 1.00 0.82 C ATOM 787 CG1 ILE A 6 0.956 -9.361 -5.481 1.00 0.95 C ATOM 788 CG2 ILE A 6 2.423 -8.487 -3.629 1.00 0.79 C ATOM 789 CD1 ILE A 6 0.821 -8.020 -6.173 1.00 0.96 C ATOM 0 HA ILE A 6 3.568 -8.471 -6.093 1.00 0.75 H new ATOM 0 HB ILE A 6 2.267 -10.527 -4.253 1.00 0.82 H new ATOM 0 HG12 ILE A 6 0.864 -10.153 -6.225 1.00 0.95 H new ATOM 0 HG13 ILE A 6 0.128 -9.482 -4.782 1.00 0.95 H new ATOM 0 HG21 ILE A 6 1.568 -8.543 -2.955 1.00 0.79 H new ATOM 0 HG22 ILE A 6 3.340 -8.666 -3.068 1.00 0.79 H new ATOM 0 HG23 ILE A 6 2.463 -7.497 -4.083 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -0.139 -7.970 -6.686 1.00 0.96 H new ATOM 0 HD12 ILE A 6 0.879 -7.221 -5.433 1.00 0.96 H new ATOM 0 HD13 ILE A 6 1.626 -7.902 -6.898 1.00 0.96 H new ATOM 801 N TRP A 7 5.087 -11.096 -4.841 1.00 0.64 N ATOM 802 CA TRP A 7 6.279 -11.557 -4.137 1.00 0.60 C ATOM 803 C TRP A 7 7.528 -10.854 -4.664 1.00 0.56 C ATOM 804 O TRP A 7 8.212 -10.142 -3.926 1.00 0.54 O ATOM 805 CB TRP A 7 6.424 -13.069 -4.300 1.00 0.67 C ATOM 806 CG TRP A 7 7.029 -13.737 -3.109 1.00 0.64 C ATOM 807 CD1 TRP A 7 6.359 -14.259 -2.044 1.00 0.75 C ATOM 808 CD2 TRP A 7 8.423 -13.959 -2.857 1.00 0.65 C ATOM 809 NE1 TRP A 7 7.246 -14.785 -1.144 1.00 0.78 N ATOM 810 CE2 TRP A 7 8.520 -14.615 -1.616 1.00 0.71 C ATOM 811 CE3 TRP A 7 9.595 -13.663 -3.553 1.00 0.76 C ATOM 812 CZ2 TRP A 7 9.739 -14.982 -1.059 1.00 0.82 C ATOM 813 CZ3 TRP A 7 10.810 -14.029 -2.999 1.00 0.91 C ATOM 814 CH2 TRP A 7 10.874 -14.684 -1.760 1.00 0.92 C ATOM 0 H TRP A 7 4.536 -11.844 -5.262 1.00 0.64 H new ATOM 0 HA TRP A 7 6.170 -11.315 -3.080 1.00 0.60 H new ATOM 0 HB2 TRP A 7 5.442 -13.502 -4.491 1.00 0.67 H new ATOM 0 HB3 TRP A 7 7.040 -13.276 -5.175 1.00 0.67 H new ATOM 0 HD1 TRP A 7 5.285 -14.258 -1.927 1.00 0.75 H new ATOM 0 HE1 TRP A 7 6.997 -15.233 -0.262 1.00 0.78 H new ATOM 0 HE3 TRP A 7 9.555 -13.158 -4.507 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 9.788 -15.485 -0.105 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 11.724 -13.806 -3.530 1.00 0.91 H new ATOM 0 HH2 TRP A 7 11.836 -14.957 -1.353 1.00 0.92 H new ATOM 825 N GLN A 8 7.806 -11.039 -5.948 1.00 0.57 N ATOM 826 CA GLN A 8 8.974 -10.424 -6.571 1.00 0.59 C ATOM 827 C GLN A 8 8.809 -8.914 -6.701 1.00 0.58 C ATOM 828 O GLN A 8 9.790 -8.172 -6.624 1.00 0.59 O ATOM 829 CB GLN A 8 9.252 -11.040 -7.941 1.00 0.68 C ATOM 830 CG GLN A 8 9.531 -12.530 -7.880 1.00 0.79 C ATOM 831 CD GLN A 8 8.307 -13.361 -8.184 1.00 1.06 C ATOM 832 OE1 GLN A 8 7.461 -13.589 -7.318 1.00 1.49 O ATOM 833 NE2 GLN A 8 8.205 -13.818 -9.417 1.00 1.50 N ATOM 0 H GLN A 8 7.241 -11.608 -6.578 1.00 0.57 H new ATOM 0 HA GLN A 8 9.826 -10.619 -5.920 1.00 0.59 H new ATOM 0 HB2 GLN A 8 8.396 -10.863 -8.592 1.00 0.68 H new ATOM 0 HB3 GLN A 8 10.106 -10.535 -8.393 1.00 0.68 H new ATOM 0 HG2 GLN A 8 10.320 -12.778 -8.590 1.00 0.79 H new ATOM 0 HG3 GLN A 8 9.903 -12.786 -6.888 1.00 0.79 H new ATOM 0 HE21 GLN A 8 8.930 -13.604 -10.102 1.00 1.50 H new ATOM 0 HE22 GLN A 8 7.401 -14.385 -9.686 1.00 1.50 H new ATOM 842 N LEU A 9 7.574 -8.459 -6.894 1.00 0.60 N ATOM 843 CA LEU A 9 7.304 -7.033 -7.019 1.00 0.65 C ATOM 844 C LEU A 9 7.703 -6.312 -5.740 1.00 0.58 C ATOM 845 O LEU A 9 8.183 -5.178 -5.782 1.00 0.59 O ATOM 846 CB LEU A 9 5.824 -6.766 -7.323 1.00 0.74 C ATOM 847 CG LEU A 9 5.358 -7.064 -8.757 1.00 0.94 C ATOM 848 CD1 LEU A 9 4.336 -6.027 -9.198 1.00 0.95 C ATOM 849 CD2 LEU A 9 6.530 -7.115 -9.733 1.00 1.02 C ATOM 0 H LEU A 9 6.749 -9.055 -6.967 1.00 0.60 H new ATOM 0 HA LEU A 9 7.896 -6.654 -7.852 1.00 0.65 H new ATOM 0 HB2 LEU A 9 5.221 -7.361 -6.637 1.00 0.74 H new ATOM 0 HB3 LEU A 9 5.614 -5.719 -7.106 1.00 0.74 H new ATOM 0 HG LEU A 9 4.891 -8.049 -8.761 1.00 0.94 H new ATOM 0 HD11 LEU A 9 4.011 -6.246 -10.215 1.00 0.95 H new ATOM 0 HD12 LEU A 9 3.476 -6.056 -8.529 1.00 0.95 H new ATOM 0 HD13 LEU A 9 4.787 -5.035 -9.167 1.00 0.95 H new ATOM 0 HD21 LEU A 9 6.159 -7.328 -10.736 1.00 1.02 H new ATOM 0 HD22 LEU A 9 7.046 -6.155 -9.733 1.00 1.02 H new ATOM 0 HD23 LEU A 9 7.223 -7.899 -9.428 1.00 1.02 H new ATOM 861 N LEU A 10 7.520 -6.983 -4.609 1.00 0.52 N ATOM 862 CA LEU A 10 7.875 -6.410 -3.323 1.00 0.46 C ATOM 863 C LEU A 10 9.371 -6.146 -3.266 1.00 0.41 C ATOM 864 O LEU A 10 9.798 -5.101 -2.794 1.00 0.38 O ATOM 865 CB LEU A 10 7.475 -7.336 -2.175 1.00 0.45 C ATOM 866 CG LEU A 10 6.647 -6.684 -1.058 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.989 -7.306 0.283 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.865 -5.179 -1.009 1.00 0.43 C ATOM 0 H LEU A 10 7.128 -7.923 -4.560 1.00 0.52 H new ATOM 0 HA LEU A 10 7.332 -5.471 -3.213 1.00 0.46 H new ATOM 0 HB2 LEU A 10 6.906 -8.170 -2.586 1.00 0.45 H new ATOM 0 HB3 LEU A 10 8.381 -7.754 -1.736 1.00 0.45 H new ATOM 0 HG LEU A 10 5.594 -6.863 -1.277 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.395 -6.834 1.065 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.770 -8.373 0.255 1.00 0.39 H new ATOM 0 HD13 LEU A 10 8.048 -7.158 0.493 1.00 0.39 H new ATOM 0 HD21 LEU A 10 6.264 -4.750 -0.207 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.919 -4.970 -0.824 1.00 0.43 H new ATOM 0 HD23 LEU A 10 6.569 -4.737 -1.960 1.00 0.43 H new ATOM 880 N ILE A 11 10.157 -7.096 -3.765 1.00 0.41 N ATOM 881 CA ILE A 11 11.610 -6.957 -3.776 1.00 0.39 C ATOM 882 C ILE A 11 12.018 -5.677 -4.501 1.00 0.40 C ATOM 883 O ILE A 11 12.844 -4.911 -4.002 1.00 0.38 O ATOM 884 CB ILE A 11 12.297 -8.185 -4.427 1.00 0.44 C ATOM 885 CG1 ILE A 11 12.285 -9.366 -3.456 1.00 0.48 C ATOM 886 CG2 ILE A 11 13.728 -7.864 -4.853 1.00 0.64 C ATOM 887 CD1 ILE A 11 11.539 -10.573 -3.974 1.00 0.99 C ATOM 0 H ILE A 11 9.813 -7.968 -4.166 1.00 0.41 H new ATOM 0 HA ILE A 11 11.943 -6.900 -2.740 1.00 0.39 H new ATOM 0 HB ILE A 11 11.736 -8.450 -5.323 1.00 0.44 H new ATOM 0 HG12 ILE A 11 13.313 -9.653 -3.235 1.00 0.48 H new ATOM 0 HG13 ILE A 11 11.834 -9.047 -2.516 1.00 0.48 H new ATOM 0 HG21 ILE A 11 14.180 -8.747 -5.305 1.00 0.64 H new ATOM 0 HG22 ILE A 11 13.718 -7.050 -5.578 1.00 0.64 H new ATOM 0 HG23 ILE A 11 14.309 -7.566 -3.980 1.00 0.64 H new ATOM 0 HD11 ILE A 11 11.574 -11.369 -3.230 1.00 0.99 H new ATOM 0 HD12 ILE A 11 10.501 -10.303 -4.168 1.00 0.99 H new ATOM 0 HD13 ILE A 11 12.003 -10.919 -4.898 1.00 0.99 H new ATOM 899 N ILE A 12 11.412 -5.429 -5.658 1.00 0.45 N ATOM 900 CA ILE A 12 11.714 -4.230 -6.430 1.00 0.46 C ATOM 901 C ILE A 12 11.185 -2.991 -5.706 1.00 0.44 C ATOM 902 O ILE A 12 11.855 -1.961 -5.646 1.00 0.44 O ATOM 903 CB ILE A 12 11.129 -4.300 -7.857 1.00 0.53 C ATOM 904 CG1 ILE A 12 11.321 -5.710 -8.431 1.00 0.54 C ATOM 905 CG2 ILE A 12 11.800 -3.261 -8.747 1.00 0.58 C ATOM 906 CD1 ILE A 12 10.644 -5.940 -9.769 1.00 0.61 C ATOM 0 H ILE A 12 10.712 -6.040 -6.080 1.00 0.45 H new ATOM 0 HA ILE A 12 12.798 -4.163 -6.522 1.00 0.46 H new ATOM 0 HB ILE A 12 10.061 -4.083 -7.819 1.00 0.53 H new ATOM 0 HG12 ILE A 12 12.388 -5.902 -8.540 1.00 0.54 H new ATOM 0 HG13 ILE A 12 10.938 -6.436 -7.714 1.00 0.54 H new ATOM 0 HG21 ILE A 12 11.381 -3.318 -9.752 1.00 0.58 H new ATOM 0 HG22 ILE A 12 11.628 -2.266 -8.338 1.00 0.58 H new ATOM 0 HG23 ILE A 12 12.872 -3.456 -8.789 1.00 0.58 H new ATOM 0 HD11 ILE A 12 10.831 -6.961 -10.101 1.00 0.61 H new ATOM 0 HD12 ILE A 12 9.570 -5.783 -9.665 1.00 0.61 H new ATOM 0 HD13 ILE A 12 11.044 -5.241 -10.504 1.00 0.61 H new ATOM 918 N ALA A 13 9.982 -3.110 -5.140 1.00 0.44 N ATOM 919 CA ALA A 13 9.356 -2.015 -4.390 1.00 0.45 C ATOM 920 C ALA A 13 10.253 -1.564 -3.247 1.00 0.39 C ATOM 921 O ALA A 13 10.535 -0.380 -3.074 1.00 0.41 O ATOM 922 CB ALA A 13 8.017 -2.467 -3.809 1.00 0.49 C ATOM 0 H ALA A 13 9.418 -3.958 -5.187 1.00 0.44 H new ATOM 0 HA ALA A 13 9.200 -1.186 -5.080 1.00 0.45 H new ATOM 0 HB1 ALA A 13 7.564 -1.644 -3.255 1.00 0.49 H new ATOM 0 HB2 ALA A 13 7.352 -2.769 -4.619 1.00 0.49 H new ATOM 0 HB3 ALA A 13 8.178 -3.311 -3.138 1.00 0.49 H new ATOM 928 N VAL A 14 10.700 -2.553 -2.494 1.00 0.34 N ATOM 929 CA VAL A 14 11.547 -2.371 -1.329 1.00 0.29 C ATOM 930 C VAL A 14 12.830 -1.606 -1.662 1.00 0.29 C ATOM 931 O VAL A 14 13.311 -0.812 -0.855 1.00 0.31 O ATOM 932 CB VAL A 14 11.844 -3.766 -0.724 1.00 0.26 C ATOM 933 CG1 VAL A 14 13.045 -3.774 0.211 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.597 -4.282 -0.010 1.00 0.27 C ATOM 0 H VAL A 14 10.478 -3.531 -2.681 1.00 0.34 H new ATOM 0 HA VAL A 14 11.026 -1.757 -0.594 1.00 0.29 H new ATOM 0 HB VAL A 14 12.105 -4.430 -1.548 1.00 0.26 H new ATOM 0 HG11 VAL A 14 13.197 -4.781 0.599 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.934 -3.458 -0.335 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.866 -3.089 1.040 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.802 -5.264 0.417 1.00 0.27 H new ATOM 0 HG22 VAL A 14 10.321 -3.590 0.786 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.776 -4.361 -0.723 1.00 0.27 H new ATOM 944 N ILE A 15 13.355 -1.811 -2.862 1.00 0.30 N ATOM 945 CA ILE A 15 14.576 -1.131 -3.282 1.00 0.32 C ATOM 946 C ILE A 15 14.271 0.258 -3.855 1.00 0.33 C ATOM 947 O ILE A 15 15.035 1.204 -3.661 1.00 0.34 O ATOM 948 CB ILE A 15 15.354 -1.952 -4.338 1.00 0.37 C ATOM 949 CG1 ILE A 15 15.613 -3.378 -3.837 1.00 0.36 C ATOM 950 CG2 ILE A 15 16.671 -1.262 -4.669 1.00 0.41 C ATOM 951 CD1 ILE A 15 16.179 -4.299 -4.895 1.00 0.42 C ATOM 0 H ILE A 15 12.958 -2.440 -3.560 1.00 0.30 H new ATOM 0 HA ILE A 15 15.194 -1.026 -2.390 1.00 0.32 H new ATOM 0 HB ILE A 15 14.748 -2.013 -5.242 1.00 0.37 H new ATOM 0 HG12 ILE A 15 16.304 -3.338 -2.995 1.00 0.36 H new ATOM 0 HG13 ILE A 15 14.679 -3.798 -3.464 1.00 0.36 H new ATOM 0 HG21 ILE A 15 17.211 -1.847 -5.413 1.00 0.41 H new ATOM 0 HG22 ILE A 15 16.471 -0.267 -5.066 1.00 0.41 H new ATOM 0 HG23 ILE A 15 17.275 -1.178 -3.765 1.00 0.41 H new ATOM 0 HD11 ILE A 15 16.336 -5.290 -4.469 1.00 0.42 H new ATOM 0 HD12 ILE A 15 15.480 -4.369 -5.728 1.00 0.42 H new ATOM 0 HD13 ILE A 15 17.130 -3.902 -5.252 1.00 0.42 H new ATOM 963 N VAL A 16 13.140 0.378 -4.534 1.00 0.35 N ATOM 964 CA VAL A 16 12.738 1.635 -5.159 1.00 0.38 C ATOM 965 C VAL A 16 12.566 2.776 -4.144 1.00 0.36 C ATOM 966 O VAL A 16 12.820 3.942 -4.465 1.00 0.38 O ATOM 967 CB VAL A 16 11.434 1.432 -5.982 1.00 0.44 C ATOM 968 CG1 VAL A 16 10.344 2.435 -5.618 1.00 0.51 C ATOM 969 CG2 VAL A 16 11.731 1.499 -7.471 1.00 0.47 C ATOM 0 H VAL A 16 12.477 -0.386 -4.668 1.00 0.35 H new ATOM 0 HA VAL A 16 13.545 1.933 -5.828 1.00 0.38 H new ATOM 0 HB VAL A 16 11.054 0.442 -5.730 1.00 0.44 H new ATOM 0 HG11 VAL A 16 9.458 2.245 -6.224 1.00 0.51 H new ATOM 0 HG12 VAL A 16 10.091 2.331 -4.563 1.00 0.51 H new ATOM 0 HG13 VAL A 16 10.703 3.447 -5.807 1.00 0.51 H new ATOM 0 HG21 VAL A 16 10.808 1.355 -8.033 1.00 0.47 H new ATOM 0 HG22 VAL A 16 12.156 2.473 -7.714 1.00 0.47 H new ATOM 0 HG23 VAL A 16 12.443 0.717 -7.736 1.00 0.47 H new ATOM 979 N VAL A 17 12.179 2.445 -2.921 1.00 0.33 N ATOM 980 CA VAL A 17 11.947 3.462 -1.901 1.00 0.33 C ATOM 981 C VAL A 17 13.199 4.264 -1.551 1.00 0.33 C ATOM 982 O VAL A 17 13.149 5.496 -1.480 1.00 0.37 O ATOM 983 CB VAL A 17 11.346 2.868 -0.628 1.00 0.33 C ATOM 984 CG1 VAL A 17 10.775 3.966 0.252 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.281 1.837 -0.958 1.00 0.35 C ATOM 0 H VAL A 17 12.019 1.487 -2.610 1.00 0.33 H new ATOM 0 HA VAL A 17 11.229 4.150 -2.347 1.00 0.33 H new ATOM 0 HB VAL A 17 12.142 2.364 -0.080 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.351 3.525 1.154 1.00 0.36 H new ATOM 0 HG12 VAL A 17 11.568 4.662 0.526 1.00 0.36 H new ATOM 0 HG13 VAL A 17 9.996 4.500 -0.292 1.00 0.36 H new ATOM 0 HG21 VAL A 17 9.870 1.430 -0.034 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.484 2.308 -1.533 1.00 0.35 H new ATOM 0 HG23 VAL A 17 10.724 1.031 -1.544 1.00 0.35 H new ATOM 995 N LEU A 18 14.324 3.586 -1.346 1.00 0.31 N ATOM 996 CA LEU A 18 15.563 4.283 -0.994 1.00 0.34 C ATOM 997 C LEU A 18 16.153 5.005 -2.196 1.00 0.36 C ATOM 998 O LEU A 18 16.956 5.924 -2.046 1.00 0.40 O ATOM 999 CB LEU A 18 16.611 3.322 -0.413 1.00 0.34 C ATOM 1000 CG LEU A 18 16.851 2.030 -1.199 1.00 0.33 C ATOM 1001 CD1 LEU A 18 18.325 1.683 -1.187 1.00 0.39 C ATOM 1002 CD2 LEU A 18 16.046 0.878 -0.617 1.00 0.30 C ATOM 0 H LEU A 18 14.407 2.572 -1.415 1.00 0.31 H new ATOM 0 HA LEU A 18 15.301 5.016 -0.231 1.00 0.34 H new ATOM 0 HB2 LEU A 18 17.558 3.855 -0.333 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.308 3.056 0.600 1.00 0.34 H new ATOM 0 HG LEU A 18 16.524 2.192 -2.226 1.00 0.33 H new ATOM 0 HD11 LEU A 18 18.487 0.763 -1.748 1.00 0.39 H new ATOM 0 HD12 LEU A 18 18.893 2.492 -1.646 1.00 0.39 H new ATOM 0 HD13 LEU A 18 18.658 1.544 -0.158 1.00 0.39 H new ATOM 0 HD21 LEU A 18 16.236 -0.027 -1.195 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.341 0.715 0.420 1.00 0.30 H new ATOM 0 HD23 LEU A 18 14.984 1.119 -0.658 1.00 0.30 H new ATOM 1014 N LEU A 19 15.739 4.601 -3.384 1.00 0.36 N ATOM 1015 CA LEU A 19 16.245 5.196 -4.610 1.00 0.40 C ATOM 1016 C LEU A 19 15.735 6.618 -4.792 1.00 0.41 C ATOM 1017 O LEU A 19 16.398 7.451 -5.409 1.00 0.45 O ATOM 1018 CB LEU A 19 15.841 4.346 -5.816 1.00 0.41 C ATOM 1019 CG LEU A 19 16.419 2.934 -5.841 1.00 0.44 C ATOM 1020 CD1 LEU A 19 16.206 2.302 -7.206 1.00 0.47 C ATOM 1021 CD2 LEU A 19 17.891 2.960 -5.476 1.00 0.47 C ATOM 0 H LEU A 19 15.052 3.861 -3.527 1.00 0.36 H new ATOM 0 HA LEU A 19 17.332 5.231 -4.536 1.00 0.40 H new ATOM 0 HB2 LEU A 19 14.754 4.276 -5.843 1.00 0.41 H new ATOM 0 HB3 LEU A 19 16.150 4.863 -6.724 1.00 0.41 H new ATOM 0 HG LEU A 19 15.898 2.327 -5.101 1.00 0.44 H new ATOM 0 HD11 LEU A 19 16.623 1.295 -7.210 1.00 0.47 H new ATOM 0 HD12 LEU A 19 15.139 2.253 -7.422 1.00 0.47 H new ATOM 0 HD13 LEU A 19 16.703 2.903 -7.967 1.00 0.47 H new ATOM 0 HD21 LEU A 19 18.289 1.946 -5.498 1.00 0.47 H new ATOM 0 HD22 LEU A 19 18.433 3.578 -6.192 1.00 0.47 H new ATOM 0 HD23 LEU A 19 18.010 3.375 -4.475 1.00 0.47 H new ATOM 1033 N PHE A 20 14.559 6.897 -4.252 1.00 0.40 N ATOM 1034 CA PHE A 20 13.969 8.221 -4.390 1.00 0.44 C ATOM 1035 C PHE A 20 13.957 8.983 -3.071 1.00 0.47 C ATOM 1036 O PHE A 20 13.303 10.019 -2.958 1.00 0.51 O ATOM 1037 CB PHE A 20 12.554 8.098 -4.942 1.00 0.45 C ATOM 1038 CG PHE A 20 12.470 7.234 -6.166 1.00 0.46 C ATOM 1039 CD1 PHE A 20 13.361 7.402 -7.217 1.00 1.07 C ATOM 1040 CD2 PHE A 20 11.506 6.246 -6.262 1.00 1.06 C ATOM 1041 CE1 PHE A 20 13.286 6.602 -8.340 1.00 1.05 C ATOM 1042 CE2 PHE A 20 11.429 5.444 -7.385 1.00 1.12 C ATOM 1043 CZ PHE A 20 12.321 5.622 -8.421 1.00 0.53 C ATOM 0 H PHE A 20 13.998 6.232 -3.719 1.00 0.40 H new ATOM 0 HA PHE A 20 14.586 8.790 -5.085 1.00 0.44 H new ATOM 0 HB2 PHE A 20 11.904 7.687 -4.170 1.00 0.45 H new ATOM 0 HB3 PHE A 20 12.176 9.092 -5.180 1.00 0.45 H new ATOM 0 HD1 PHE A 20 14.121 8.167 -7.156 1.00 1.07 H new ATOM 0 HD2 PHE A 20 10.807 6.100 -5.452 1.00 1.06 H new ATOM 0 HE1 PHE A 20 13.982 6.744 -9.153 1.00 1.05 H new ATOM 0 HE2 PHE A 20 10.670 4.678 -7.451 1.00 1.12 H new ATOM 0 HZ PHE A 20 12.263 4.993 -9.297 1.00 0.53 H new ATOM 1053 N GLY A 21 14.666 8.455 -2.078 1.00 0.49 N ATOM 1054 CA GLY A 21 14.748 9.099 -0.773 1.00 0.55 C ATOM 1055 C GLY A 21 13.392 9.364 -0.146 1.00 0.56 C ATOM 1056 O GLY A 21 13.205 10.382 0.516 1.00 0.65 O ATOM 0 H GLY A 21 15.191 7.584 -2.153 1.00 0.49 H new ATOM 0 HA2 GLY A 21 15.334 8.471 -0.102 1.00 0.55 H new ATOM 0 HA3 GLY A 21 15.284 10.043 -0.875 1.00 0.55 H new ATOM 1060 N THR A 22 12.449 8.449 -0.380 1.00 0.54 N ATOM 1061 CA THR A 22 11.074 8.532 0.141 1.00 0.61 C ATOM 1062 C THR A 22 10.308 9.770 -0.352 1.00 0.71 C ATOM 1063 O THR A 22 9.126 9.928 -0.041 1.00 1.26 O ATOM 1064 CB THR A 22 11.025 8.489 1.692 1.00 0.71 C ATOM 1065 OG1 THR A 22 11.451 9.733 2.261 1.00 1.46 O ATOM 1066 CG2 THR A 22 11.897 7.368 2.232 1.00 0.60 C ATOM 0 H THR A 22 12.617 7.616 -0.944 1.00 0.54 H new ATOM 0 HA THR A 22 10.579 7.647 -0.257 1.00 0.61 H new ATOM 0 HB THR A 22 9.988 8.307 1.975 1.00 0.71 H new ATOM 0 HG1 THR A 22 12.260 10.042 1.803 1.00 1.46 H new ATOM 0 HG21 THR A 22 11.845 7.359 3.321 1.00 0.60 H new ATOM 0 HG22 THR A 22 11.543 6.413 1.844 1.00 0.60 H new ATOM 0 HG23 THR A 22 12.929 7.527 1.919 1.00 0.60 H new ATOM 1074 N LYS A 23 10.960 10.614 -1.148 1.00 0.38 N ATOM 1075 CA LYS A 23 10.338 11.838 -1.650 1.00 0.45 C ATOM 1076 C LYS A 23 9.177 11.535 -2.589 1.00 0.47 C ATOM 1077 O LYS A 23 8.085 12.081 -2.433 1.00 0.81 O ATOM 1078 CB LYS A 23 11.370 12.716 -2.366 1.00 0.49 C ATOM 1079 CG LYS A 23 12.568 13.076 -1.499 1.00 0.56 C ATOM 1080 CD LYS A 23 13.463 14.114 -2.163 1.00 0.77 C ATOM 1081 CE LYS A 23 12.892 15.517 -2.013 1.00 0.99 C ATOM 1082 NZ LYS A 23 13.870 16.568 -2.404 1.00 1.33 N ATOM 0 H LYS A 23 11.921 10.473 -1.460 1.00 0.38 H new ATOM 0 HA LYS A 23 9.946 12.378 -0.788 1.00 0.45 H new ATOM 0 HB2 LYS A 23 11.720 12.197 -3.258 1.00 0.49 H new ATOM 0 HB3 LYS A 23 10.885 13.633 -2.701 1.00 0.49 H new ATOM 0 HG2 LYS A 23 12.219 13.459 -0.540 1.00 0.56 H new ATOM 0 HG3 LYS A 23 13.148 12.177 -1.291 1.00 0.56 H new ATOM 0 HD2 LYS A 23 14.458 14.075 -1.720 1.00 0.77 H new ATOM 0 HD3 LYS A 23 13.575 13.876 -3.221 1.00 0.77 H new ATOM 0 HE2 LYS A 23 11.996 15.610 -2.627 1.00 0.99 H new ATOM 0 HE3 LYS A 23 12.587 15.674 -0.978 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 13.437 17.506 -2.285 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 14.715 16.498 -1.801 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 14.143 16.436 -3.399 1.00 1.33 H new ATOM 1096 N LYS A 24 9.413 10.655 -3.554 1.00 0.42 N ATOM 1097 CA LYS A 24 8.387 10.295 -4.527 1.00 0.45 C ATOM 1098 C LYS A 24 7.152 9.707 -3.847 1.00 0.47 C ATOM 1099 O LYS A 24 6.044 10.211 -4.029 1.00 0.77 O ATOM 1100 CB LYS A 24 8.944 9.309 -5.558 1.00 0.50 C ATOM 1101 CG LYS A 24 9.946 9.940 -6.514 1.00 0.58 C ATOM 1102 CD LYS A 24 9.258 10.796 -7.568 1.00 0.73 C ATOM 1103 CE LYS A 24 8.876 9.978 -8.791 1.00 1.14 C ATOM 1104 NZ LYS A 24 9.060 10.744 -10.050 1.00 1.36 N ATOM 0 H LYS A 24 10.305 10.177 -3.685 1.00 0.42 H new ATOM 0 HA LYS A 24 8.085 11.208 -5.040 1.00 0.45 H new ATOM 0 HB2 LYS A 24 9.422 8.480 -5.036 1.00 0.50 H new ATOM 0 HB3 LYS A 24 8.118 8.890 -6.133 1.00 0.50 H new ATOM 0 HG2 LYS A 24 10.650 10.553 -5.951 1.00 0.58 H new ATOM 0 HG3 LYS A 24 10.525 9.157 -7.003 1.00 0.58 H new ATOM 0 HD2 LYS A 24 8.365 11.252 -7.141 1.00 0.73 H new ATOM 0 HD3 LYS A 24 9.920 11.609 -7.866 1.00 0.73 H new ATOM 0 HE2 LYS A 24 9.482 9.072 -8.825 1.00 1.14 H new ATOM 0 HE3 LYS A 24 7.836 9.663 -8.707 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 8.789 10.151 -10.860 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 8.463 11.595 -10.029 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 10.057 11.023 -10.144 1.00 1.36 H new ATOM 1118 N LEU A 25 7.350 8.664 -3.048 1.00 0.40 N ATOM 1119 CA LEU A 25 6.239 8.011 -2.353 1.00 0.41 C ATOM 1120 C LEU A 25 5.499 8.996 -1.460 1.00 0.36 C ATOM 1121 O LEU A 25 4.282 8.919 -1.313 1.00 0.42 O ATOM 1122 CB LEU A 25 6.728 6.845 -1.482 1.00 0.50 C ATOM 1123 CG LEU A 25 7.737 5.890 -2.119 1.00 0.41 C ATOM 1124 CD1 LEU A 25 9.144 6.251 -1.679 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.422 4.454 -1.731 1.00 0.43 C ATOM 0 H LEU A 25 8.265 8.252 -2.864 1.00 0.40 H new ATOM 0 HA LEU A 25 5.568 7.632 -3.124 1.00 0.41 H new ATOM 0 HB2 LEU A 25 7.175 7.259 -0.578 1.00 0.50 H new ATOM 0 HB3 LEU A 25 5.859 6.265 -1.171 1.00 0.50 H new ATOM 0 HG LEU A 25 7.670 5.982 -3.203 1.00 0.41 H new ATOM 0 HD11 LEU A 25 9.856 5.565 -2.138 1.00 0.66 H new ATOM 0 HD12 LEU A 25 9.372 7.271 -1.989 1.00 0.66 H new ATOM 0 HD13 LEU A 25 9.216 6.177 -0.594 1.00 0.66 H new ATOM 0 HD21 LEU A 25 8.149 3.785 -2.192 1.00 0.43 H new ATOM 0 HD22 LEU A 25 7.470 4.351 -0.647 1.00 0.43 H new ATOM 0 HD23 LEU A 25 6.421 4.195 -2.076 1.00 0.43 H new ATOM 1137 N GLY A 26 6.240 9.924 -0.869 1.00 0.39 N ATOM 1138 CA GLY A 26 5.647 10.892 0.028 1.00 0.48 C ATOM 1139 C GLY A 26 4.598 11.773 -0.620 1.00 0.46 C ATOM 1140 O GLY A 26 3.453 11.800 -0.172 1.00 0.69 O ATOM 0 H GLY A 26 7.247 10.022 -0.997 1.00 0.39 H new ATOM 0 HA2 GLY A 26 5.195 10.364 0.868 1.00 0.48 H new ATOM 0 HA3 GLY A 26 6.436 11.524 0.436 1.00 0.48 H new ATOM 1144 N SER A 27 4.962 12.471 -1.681 1.00 0.37 N ATOM 1145 CA SER A 27 4.022 13.372 -2.323 1.00 0.40 C ATOM 1146 C SER A 27 3.071 12.664 -3.296 1.00 0.41 C ATOM 1147 O SER A 27 1.853 12.827 -3.190 1.00 0.45 O ATOM 1148 CB SER A 27 4.778 14.498 -3.036 1.00 0.49 C ATOM 1149 OG SER A 27 5.829 14.990 -2.223 1.00 0.78 O ATOM 0 H SER A 27 5.886 12.433 -2.111 1.00 0.37 H new ATOM 0 HA SER A 27 3.397 13.789 -1.534 1.00 0.40 H new ATOM 0 HB2 SER A 27 5.183 14.130 -3.979 1.00 0.49 H new ATOM 0 HB3 SER A 27 4.090 15.308 -3.279 1.00 0.49 H new ATOM 0 HG SER A 27 6.301 15.707 -2.696 1.00 0.78 H new ATOM 1155 N ILE A 28 3.603 11.867 -4.223 1.00 0.44 N ATOM 1156 CA ILE A 28 2.745 11.193 -5.201 1.00 0.52 C ATOM 1157 C ILE A 28 1.863 10.151 -4.519 1.00 0.51 C ATOM 1158 O ILE A 28 0.772 9.841 -4.991 1.00 0.55 O ATOM 1159 CB ILE A 28 3.544 10.529 -6.357 1.00 0.65 C ATOM 1160 CG1 ILE A 28 3.965 9.103 -5.993 1.00 1.36 C ATOM 1161 CG2 ILE A 28 4.765 11.366 -6.718 1.00 0.85 C ATOM 1162 CD1 ILE A 28 4.432 8.283 -7.175 1.00 1.52 C ATOM 0 H ILE A 28 4.600 11.674 -4.318 1.00 0.44 H new ATOM 0 HA ILE A 28 2.122 11.970 -5.644 1.00 0.52 H new ATOM 0 HB ILE A 28 2.888 10.477 -7.226 1.00 0.65 H new ATOM 0 HG12 ILE A 28 4.766 9.148 -5.255 1.00 1.36 H new ATOM 0 HG13 ILE A 28 3.124 8.596 -5.520 1.00 1.36 H new ATOM 0 HG21 ILE A 28 5.310 10.883 -7.529 1.00 0.85 H new ATOM 0 HG22 ILE A 28 4.445 12.358 -7.036 1.00 0.85 H new ATOM 0 HG23 ILE A 28 5.415 11.456 -5.847 1.00 0.85 H new ATOM 0 HD11 ILE A 28 4.713 7.285 -6.837 1.00 1.52 H new ATOM 0 HD12 ILE A 28 3.626 8.205 -7.905 1.00 1.52 H new ATOM 0 HD13 ILE A 28 5.294 8.766 -7.636 1.00 1.52 H new ATOM 1174 N GLY A 29 2.339 9.629 -3.396 1.00 0.50 N ATOM 1175 CA GLY A 29 1.581 8.642 -2.666 1.00 0.52 C ATOM 1176 C GLY A 29 0.383 9.254 -1.984 1.00 0.46 C ATOM 1177 O GLY A 29 -0.728 8.756 -2.118 1.00 0.51 O ATOM 0 H GLY A 29 3.238 9.874 -2.980 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.251 7.858 -3.348 1.00 0.52 H new ATOM 0 HA3 GLY A 29 2.221 8.168 -1.922 1.00 0.52 H new ATOM 1181 N SER A 30 0.611 10.354 -1.279 1.00 0.41 N ATOM 1182 CA SER A 30 -0.446 11.052 -0.560 1.00 0.41 C ATOM 1183 C SER A 30 -1.552 11.518 -1.514 1.00 0.39 C ATOM 1184 O SER A 30 -2.740 11.299 -1.255 1.00 0.42 O ATOM 1185 CB SER A 30 0.156 12.240 0.205 1.00 0.43 C ATOM 1186 OG SER A 30 -0.785 13.278 0.405 1.00 0.95 O ATOM 0 H SER A 30 1.531 10.786 -1.190 1.00 0.41 H new ATOM 0 HA SER A 30 -0.902 10.363 0.151 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.528 11.898 1.171 1.00 0.43 H new ATOM 0 HB3 SER A 30 1.012 12.629 -0.346 1.00 0.43 H new ATOM 0 HG SER A 30 -1.571 12.922 0.869 1.00 0.95 H new ATOM 1192 N ASP A 31 -1.156 12.131 -2.626 1.00 0.38 N ATOM 1193 CA ASP A 31 -2.111 12.617 -3.621 1.00 0.42 C ATOM 1194 C ASP A 31 -2.975 11.471 -4.142 1.00 0.41 C ATOM 1195 O ASP A 31 -4.194 11.600 -4.271 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.380 13.278 -4.788 1.00 0.47 C ATOM 1197 CG ASP A 31 -2.000 14.602 -5.185 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -3.091 14.596 -5.785 1.00 1.29 O ATOM 1199 OD2 ASP A 31 -1.389 15.653 -4.900 1.00 1.28 O ATOM 0 H ASP A 31 -0.179 12.304 -2.862 1.00 0.38 H new ATOM 0 HA ASP A 31 -2.753 13.355 -3.139 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.336 13.436 -4.516 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -1.388 12.605 -5.645 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.331 10.341 -4.423 1.00 0.39 N ATOM 1205 CA LEU A 32 -3.032 9.164 -4.916 1.00 0.41 C ATOM 1206 C LEU A 32 -3.824 8.505 -3.797 1.00 0.38 C ATOM 1207 O LEU A 32 -4.852 7.873 -4.033 1.00 0.40 O ATOM 1208 CB LEU A 32 -2.046 8.158 -5.510 1.00 0.44 C ATOM 1209 CG LEU A 32 -2.225 7.918 -7.003 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -1.642 9.071 -7.803 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -1.597 6.601 -7.425 1.00 1.28 C ATOM 0 H LEU A 32 -1.324 10.218 -4.317 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.721 9.486 -5.696 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -1.031 8.511 -5.329 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -2.152 7.209 -4.985 1.00 0.44 H new ATOM 0 HG LEU A 32 -3.294 7.860 -7.209 1.00 0.64 H new ATOM 0 HD11 LEU A 32 -1.779 8.881 -8.868 1.00 1.09 H new ATOM 0 HD12 LEU A 32 -2.150 9.996 -7.531 1.00 1.09 H new ATOM 0 HD13 LEU A 32 -0.578 9.164 -7.585 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -1.740 6.456 -8.496 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -0.530 6.618 -7.201 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -2.069 5.782 -6.882 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.334 8.668 -2.579 1.00 0.37 N ATOM 1224 CA GLY A 33 -3.979 8.097 -1.422 1.00 0.38 C ATOM 1225 C GLY A 33 -5.360 8.657 -1.197 1.00 0.35 C ATOM 1226 O GLY A 33 -6.318 7.910 -1.035 1.00 0.37 O ATOM 0 H GLY A 33 -2.486 9.196 -2.372 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -4.044 7.016 -1.543 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.367 8.283 -0.540 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.471 9.974 -1.209 1.00 0.35 N ATOM 1231 CA ALA A 34 -6.756 10.615 -1.003 1.00 0.37 C ATOM 1232 C ALA A 34 -7.688 10.349 -2.182 1.00 0.37 C ATOM 1233 O ALA A 34 -8.898 10.549 -2.094 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.571 12.101 -0.767 1.00 0.41 C ATOM 0 H ALA A 34 -4.692 10.616 -1.358 1.00 0.35 H new ATOM 0 HA ALA A 34 -7.221 10.189 -0.114 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.543 12.569 -0.614 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -5.951 12.255 0.116 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -6.085 12.549 -1.634 1.00 0.41 H new ATOM 1240 N SER A 35 -7.116 9.888 -3.286 1.00 0.33 N ATOM 1241 CA SER A 35 -7.897 9.560 -4.464 1.00 0.35 C ATOM 1242 C SER A 35 -8.384 8.109 -4.374 1.00 0.34 C ATOM 1243 O SER A 35 -9.449 7.759 -4.890 1.00 0.38 O ATOM 1244 CB SER A 35 -7.057 9.777 -5.730 1.00 0.38 C ATOM 1245 OG SER A 35 -6.564 11.109 -5.784 1.00 0.41 O ATOM 0 H SER A 35 -6.113 9.734 -3.387 1.00 0.33 H new ATOM 0 HA SER A 35 -8.766 10.215 -4.516 1.00 0.35 H new ATOM 0 HB2 SER A 35 -6.224 9.075 -5.744 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.662 9.572 -6.613 1.00 0.38 H new ATOM 0 HG SER A 35 -5.755 11.181 -5.236 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.615 7.280 -3.666 1.00 0.35 N ATOM 1252 CA ILE A 36 -7.944 5.868 -3.494 1.00 0.39 C ATOM 1253 C ILE A 36 -9.198 5.691 -2.646 1.00 0.33 C ATOM 1254 O ILE A 36 -9.958 4.740 -2.837 1.00 0.36 O ATOM 1255 CB ILE A 36 -6.760 5.075 -2.877 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -6.697 3.672 -3.487 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -6.848 4.989 -1.347 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -6.277 3.661 -4.945 1.00 0.94 C ATOM 0 H ILE A 36 -6.754 7.567 -3.200 1.00 0.35 H new ATOM 0 HA ILE A 36 -8.140 5.464 -4.487 1.00 0.39 H new ATOM 0 HB ILE A 36 -5.845 5.618 -3.113 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -5.997 3.066 -2.912 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -7.676 3.201 -3.396 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -5.997 4.425 -0.965 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -6.836 5.994 -0.925 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -7.773 4.487 -1.063 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -6.255 2.634 -5.309 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -6.989 4.239 -5.533 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -5.285 4.102 -5.041 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.426 6.616 -1.721 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.599 6.540 -0.862 1.00 0.34 C ATOM 1272 C LYS A 37 -11.846 6.933 -1.637 1.00 0.31 C ATOM 1273 O LYS A 37 -12.962 6.619 -1.235 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.439 7.424 0.381 1.00 0.40 C ATOM 1275 CG LYS A 37 -10.410 8.920 0.095 1.00 0.39 C ATOM 1276 CD LYS A 37 -10.056 9.718 1.342 1.00 0.47 C ATOM 1277 CE LYS A 37 -10.090 11.215 1.076 1.00 0.51 C ATOM 1278 NZ LYS A 37 -9.608 11.992 2.247 1.00 0.68 N ATOM 0 H LYS A 37 -8.821 7.419 -1.548 1.00 0.31 H new ATOM 0 HA LYS A 37 -10.703 5.508 -0.525 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -11.259 7.214 1.068 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.517 7.147 0.892 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -9.683 9.128 -0.690 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -11.383 9.239 -0.279 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -10.755 9.474 2.142 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -9.063 9.432 1.688 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -9.472 11.444 0.208 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -11.108 11.518 0.832 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -9.646 13.008 2.029 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -10.213 11.792 3.069 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -8.628 11.721 2.464 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.645 7.621 -2.754 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.757 8.035 -3.577 1.00 0.32 C ATOM 1294 C GLY A 38 -13.027 7.036 -4.682 1.00 0.31 C ATOM 1295 O GLY A 38 -14.171 6.845 -5.093 1.00 0.34 O ATOM 0 H GLY A 38 -10.728 7.899 -3.103 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.648 8.146 -2.959 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.547 9.012 -4.011 1.00 0.32 H new ATOM 1299 N PHE A 39 -11.968 6.383 -5.145 1.00 0.39 N ATOM 1300 CA PHE A 39 -12.068 5.394 -6.211 1.00 0.45 C ATOM 1301 C PHE A 39 -12.942 4.216 -5.782 1.00 0.35 C ATOM 1302 O PHE A 39 -13.748 3.709 -6.564 1.00 0.43 O ATOM 1303 CB PHE A 39 -10.653 4.931 -6.621 1.00 0.64 C ATOM 1304 CG PHE A 39 -10.444 3.434 -6.675 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -10.747 2.717 -7.825 1.00 0.93 C ATOM 1306 CD2 PHE A 39 -9.927 2.749 -5.586 1.00 1.01 C ATOM 1307 CE1 PHE A 39 -10.543 1.352 -7.881 1.00 1.30 C ATOM 1308 CE2 PHE A 39 -9.724 1.382 -5.637 1.00 1.39 C ATOM 1309 CZ PHE A 39 -10.029 0.684 -6.787 1.00 1.48 C ATOM 0 H PHE A 39 -11.020 6.523 -4.794 1.00 0.39 H new ATOM 0 HA PHE A 39 -12.547 5.849 -7.078 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -10.424 5.347 -7.602 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -9.934 5.355 -5.920 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -11.147 3.233 -8.686 1.00 0.93 H new ATOM 0 HD2 PHE A 39 -9.679 3.291 -4.685 1.00 1.01 H new ATOM 0 HE1 PHE A 39 -10.786 0.807 -8.781 1.00 1.30 H new ATOM 0 HE2 PHE A 39 -9.327 0.862 -4.778 1.00 1.39 H new ATOM 0 HZ PHE A 39 -9.866 -0.383 -6.832 1.00 1.48 H new ATOM 1319 N LYS A 40 -12.794 3.798 -4.531 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.568 2.680 -4.015 1.00 0.30 C ATOM 1321 C LYS A 40 -14.862 3.161 -3.364 1.00 0.32 C ATOM 1322 O LYS A 40 -15.789 2.382 -3.162 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.734 1.885 -3.012 1.00 0.41 C ATOM 1324 CG LYS A 40 -13.288 0.500 -2.721 1.00 0.86 C ATOM 1325 CD LYS A 40 -13.287 -0.382 -3.959 1.00 0.94 C ATOM 1326 CE LYS A 40 -13.791 -1.779 -3.640 1.00 1.41 C ATOM 1327 NZ LYS A 40 -13.749 -2.673 -4.824 1.00 1.48 N ATOM 0 H LYS A 40 -12.149 4.214 -3.860 1.00 0.27 H new ATOM 0 HA LYS A 40 -13.833 2.033 -4.851 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.718 1.788 -3.394 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -12.672 2.445 -2.079 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -12.694 0.028 -1.939 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -14.305 0.589 -2.339 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.915 0.067 -4.729 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -12.277 -0.441 -4.366 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -13.186 -2.208 -2.841 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -14.814 -1.719 -3.268 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -14.102 -3.615 -4.560 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -14.346 -2.278 -5.578 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -12.769 -2.753 -5.164 1.00 1.48 H new ATOM 1341 N LYS A 41 -14.938 4.457 -3.084 1.00 0.28 N ATOM 1342 CA LYS A 41 -16.117 5.036 -2.447 1.00 0.35 C ATOM 1343 C LYS A 41 -17.333 4.959 -3.370 1.00 0.38 C ATOM 1344 O LYS A 41 -18.475 5.036 -2.917 1.00 0.40 O ATOM 1345 CB LYS A 41 -15.844 6.491 -2.043 1.00 0.46 C ATOM 1346 CG LYS A 41 -16.876 7.081 -1.087 1.00 0.56 C ATOM 1347 CD LYS A 41 -16.281 8.190 -0.230 1.00 0.82 C ATOM 1348 CE LYS A 41 -17.279 8.698 0.803 1.00 1.03 C ATOM 1349 NZ LYS A 41 -17.864 7.584 1.600 1.00 1.15 N ATOM 0 H LYS A 41 -14.197 5.128 -3.288 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.336 4.457 -1.550 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -14.860 6.548 -1.577 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -15.807 7.105 -2.943 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -17.718 7.474 -1.657 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -17.267 6.294 -0.443 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -15.389 7.821 0.276 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -15.966 9.015 -0.869 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -16.784 9.402 1.471 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -18.077 9.243 0.300 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -18.347 7.971 2.436 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -18.548 7.061 1.016 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -17.106 6.941 1.906 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.082 4.797 -4.662 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.154 4.709 -5.641 1.00 0.54 C ATOM 1365 C ALA A 42 -18.531 3.259 -5.946 1.00 0.55 C ATOM 1366 O ALA A 42 -19.452 2.999 -6.719 1.00 0.75 O ATOM 1367 CB ALA A 42 -17.763 5.441 -6.919 1.00 0.61 C ATOM 0 H ALA A 42 -16.144 4.724 -5.056 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.033 5.189 -5.211 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -18.574 5.367 -7.643 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -17.572 6.490 -6.693 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -16.862 4.990 -7.336 1.00 0.61 H new ATOM 1373 N MET A 43 -17.831 2.315 -5.332 1.00 0.51 N ATOM 1374 CA MET A 43 -18.110 0.902 -5.557 1.00 0.58 C ATOM 1375 C MET A 43 -18.672 0.273 -4.296 1.00 0.58 C ATOM 1376 O MET A 43 -18.149 -0.710 -3.775 1.00 0.83 O ATOM 1377 CB MET A 43 -16.854 0.161 -6.026 1.00 0.76 C ATOM 1378 CG MET A 43 -16.703 0.149 -7.540 1.00 0.88 C ATOM 1379 SD MET A 43 -15.224 -0.712 -8.104 1.00 0.98 S ATOM 1380 CE MET A 43 -13.939 0.465 -7.676 1.00 1.01 C ATOM 0 H MET A 43 -17.070 2.499 -4.678 1.00 0.51 H new ATOM 0 HA MET A 43 -18.856 0.819 -6.348 1.00 0.58 H new ATOM 0 HB2 MET A 43 -15.975 0.629 -5.582 1.00 0.76 H new ATOM 0 HB3 MET A 43 -16.887 -0.866 -5.661 1.00 0.76 H new ATOM 0 HG2 MET A 43 -17.580 -0.324 -7.982 1.00 0.88 H new ATOM 0 HG3 MET A 43 -16.677 1.176 -7.903 1.00 0.88 H new ATOM 0 HE1 MET A 43 -13.453 0.820 -8.585 1.00 1.01 H new ATOM 0 HE2 MET A 43 -14.381 1.310 -7.147 1.00 1.01 H new ATOM 0 HE3 MET A 43 -13.202 -0.018 -7.035 1.00 1.01 H new ATOM 1390 N SER A 44 -19.748 0.864 -3.813 1.00 0.62 N ATOM 1391 CA SER A 44 -20.419 0.401 -2.614 1.00 0.76 C ATOM 1392 C SER A 44 -21.470 -0.657 -2.947 1.00 0.65 C ATOM 1393 O SER A 44 -22.668 -0.372 -2.959 1.00 0.73 O ATOM 1394 CB SER A 44 -21.067 1.600 -1.928 1.00 1.02 C ATOM 1395 OG SER A 44 -20.529 2.813 -2.436 1.00 1.20 O ATOM 0 H SER A 44 -20.182 1.681 -4.242 1.00 0.62 H new ATOM 0 HA SER A 44 -19.691 -0.061 -1.947 1.00 0.76 H new ATOM 0 HB2 SER A 44 -22.145 1.579 -2.087 1.00 1.02 H new ATOM 0 HB3 SER A 44 -20.902 1.544 -0.852 1.00 1.02 H new ATOM 0 HG SER A 44 -20.955 3.573 -1.988 1.00 1.20 H new ATOM 1401 N ASP A 45 -21.020 -1.873 -3.240 1.00 0.70 N ATOM 1402 CA ASP A 45 -21.937 -2.960 -3.574 1.00 0.76 C ATOM 1403 C ASP A 45 -21.387 -4.307 -3.110 1.00 0.90 C ATOM 1404 O ASP A 45 -21.076 -5.175 -3.922 1.00 1.22 O ATOM 1405 CB ASP A 45 -22.223 -2.983 -5.081 1.00 0.95 C ATOM 1406 CG ASP A 45 -23.513 -3.706 -5.419 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -24.473 -3.620 -4.625 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -23.574 -4.351 -6.485 1.00 1.63 O ATOM 0 H ASP A 45 -20.033 -2.131 -3.253 1.00 0.70 H new ATOM 0 HA ASP A 45 -22.875 -2.781 -3.048 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -22.276 -1.960 -5.453 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -21.394 -3.467 -5.597 1.00 0.95 H new