USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 120:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.073 (180deg=-0.179) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.24 (180deg=1.04) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 7 THR OG1 : rot -62:sc= 0.089 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 1.14 (180deg=-1.33!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000191 USER MOD Single : A 25 ASN : amide:sc= 1.06 K(o=1.1,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= 1.13 (180deg=-0.849) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0509 K(o=-0.051,f=-0.82) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.09 K(o=1.1,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 0.14 K(o=0.14,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -33:sc= 1.07 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.407 USER MOD Single : A 60 ASN : amide:sc=-0.00694 X(o=-0.0069,f=-0.0069) USER MOD Single : A 62 GLN : amide:sc= -0.385 K(o=-0.39,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 0.0725 (180deg=-0.00996) USER MOD Single : A 65 SER OG : rot -125:sc= 0.207 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.980 -4.597 -3.465 1.00 0.78 N ATOM 2 CA MET A 1 12.656 -5.194 -2.150 1.00 0.70 C ATOM 3 C MET A 1 11.214 -5.565 -2.118 1.00 0.62 C ATOM 4 O MET A 1 10.425 -5.279 -3.017 1.00 0.68 O ATOM 5 CB MET A 1 12.876 -4.229 -0.973 1.00 0.75 C ATOM 6 CG MET A 1 11.907 -3.045 -0.946 1.00 0.79 C ATOM 7 SD MET A 1 12.301 -1.674 0.181 1.00 1.10 S ATOM 8 CE MET A 1 11.046 -0.554 -0.506 1.00 0.84 C ATOM 0 H1 MET A 1 13.806 -3.973 -3.369 1.00 0.78 H new ATOM 0 H2 MET A 1 13.195 -5.353 -4.146 1.00 0.78 H new ATOM 0 H3 MET A 1 12.167 -4.045 -3.806 1.00 0.78 H new ATOM 0 HA MET A 1 13.320 -6.051 -2.039 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.781 -4.784 -0.040 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.897 -3.849 -1.015 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.838 -2.642 -1.956 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.919 -3.423 -0.685 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.990 0.347 0.104 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.318 -0.285 -1.527 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.076 -1.052 -0.508 1.00 0.84 H new ATOM 20 N GLN A 2 10.756 -6.321 -1.103 1.00 0.59 N ATOM 21 CA GLN A 2 9.406 -6.784 -1.015 1.00 0.56 C ATOM 22 C GLN A 2 8.786 -6.212 0.213 1.00 0.50 C ATOM 23 O GLN A 2 9.404 -5.996 1.255 1.00 0.60 O ATOM 24 CB GLN A 2 9.339 -8.308 -0.826 1.00 0.71 C ATOM 25 CG GLN A 2 9.707 -9.060 -2.106 1.00 1.15 C ATOM 26 CD GLN A 2 9.925 -10.565 -2.044 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.001 -11.104 -0.940 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.091 -11.243 -3.211 1.00 1.72 N ATOM 0 H GLN A 2 11.341 -6.618 -0.322 1.00 0.59 H new ATOM 0 HA GLN A 2 8.902 -6.489 -1.936 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.015 -8.604 -0.024 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.333 -8.591 -0.515 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.919 -8.872 -2.835 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.619 -8.612 -2.500 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.018 -10.751 -4.101 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.288 -12.244 -3.196 1.00 1.72 H new ATOM 37 N ILE A 3 7.513 -5.794 0.089 1.00 0.44 N ATOM 38 CA ILE A 3 6.752 -5.246 1.167 1.00 0.42 C ATOM 39 C ILE A 3 5.508 -6.060 1.255 1.00 0.40 C ATOM 40 O ILE A 3 5.084 -6.507 0.191 1.00 0.50 O ATOM 41 CB ILE A 3 6.375 -3.805 0.986 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.694 -3.540 -0.367 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.639 -2.931 1.051 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.031 -2.164 -0.387 1.00 0.72 C ATOM 0 H ILE A 3 6.998 -5.839 -0.790 1.00 0.44 H new ATOM 0 HA ILE A 3 7.364 -5.279 2.068 1.00 0.42 H new ATOM 0 HB ILE A 3 5.674 -3.560 1.784 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.431 -3.604 -1.168 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.947 -4.310 -0.559 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.365 -1.884 0.919 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.122 -3.061 2.020 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.328 -3.228 0.260 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.557 -2.003 -1.355 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.278 -2.112 0.399 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.785 -1.395 -0.219 1.00 0.72 H new ATOM 56 N PHE A 4 4.997 -6.289 2.477 1.00 0.37 N ATOM 57 CA PHE A 4 3.869 -7.150 2.659 1.00 0.38 C ATOM 58 C PHE A 4 2.656 -6.311 2.864 1.00 0.39 C ATOM 59 O PHE A 4 2.311 -5.909 3.975 1.00 0.60 O ATOM 60 CB PHE A 4 4.139 -8.103 3.837 1.00 0.45 C ATOM 61 CG PHE A 4 5.390 -8.891 3.656 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.698 -9.609 2.525 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.282 -8.914 4.703 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.872 -10.312 2.387 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.356 -9.767 4.617 1.00 1.40 C ATOM 66 CZ PHE A 4 7.775 -10.309 3.424 1.00 0.85 C ATOM 0 H PHE A 4 5.363 -5.880 3.337 1.00 0.37 H new ATOM 0 HA PHE A 4 3.700 -7.770 1.778 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.207 -7.526 4.759 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.296 -8.785 3.949 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.989 -9.622 1.711 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.142 -8.281 5.567 1.00 1.30 H new ATOM 0 HE1 PHE A 4 7.081 -10.858 1.479 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.891 -10.021 5.520 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.769 -10.714 3.307 1.00 0.85 H new ATOM 76 N VAL A 5 1.794 -6.106 1.853 1.00 0.35 N ATOM 77 CA VAL A 5 0.540 -5.416 1.873 1.00 0.35 C ATOM 78 C VAL A 5 -0.473 -6.380 2.385 1.00 0.35 C ATOM 79 O VAL A 5 -0.739 -7.370 1.704 1.00 0.46 O ATOM 80 CB VAL A 5 0.196 -4.850 0.527 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.046 -3.942 0.567 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.467 -4.148 0.018 1.00 0.56 C ATOM 0 H VAL A 5 2.000 -6.464 0.920 1.00 0.35 H new ATOM 0 HA VAL A 5 0.579 -4.546 2.529 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.096 -5.636 -0.169 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.250 -3.560 -0.433 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.904 -4.515 0.918 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.865 -3.107 1.244 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.275 -3.715 -0.964 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.750 -3.358 0.714 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.278 -4.873 -0.058 1.00 0.56 H new ATOM 92 N LYS A 6 -1.005 -6.158 3.600 1.00 0.36 N ATOM 93 CA LYS A 6 -1.955 -7.042 4.199 1.00 0.39 C ATOM 94 C LYS A 6 -3.329 -6.503 3.988 1.00 0.46 C ATOM 95 O LYS A 6 -3.575 -5.323 4.228 1.00 0.53 O ATOM 96 CB LYS A 6 -1.804 -7.363 5.696 1.00 0.54 C ATOM 97 CG LYS A 6 -0.397 -7.808 6.098 1.00 1.22 C ATOM 98 CD LYS A 6 -0.308 -9.306 5.803 1.00 1.37 C ATOM 99 CE LYS A 6 1.065 -9.896 6.128 1.00 1.93 C ATOM 100 NZ LYS A 6 0.882 -11.362 6.213 1.00 2.09 N ATOM 0 H LYS A 6 -0.771 -5.350 4.177 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.760 -7.988 3.693 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.074 -6.480 6.275 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.512 -8.148 5.962 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.358 -7.258 5.537 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.216 -7.610 7.154 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.069 -9.831 6.380 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.532 -9.478 4.750 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.790 -9.640 5.356 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.446 -9.497 7.068 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.812 -11.826 6.264 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.332 -11.594 7.064 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.374 -11.698 5.370 1.00 2.09 H new ATOM 114 N THR A 7 -4.245 -7.418 3.621 1.00 0.58 N ATOM 115 CA THR A 7 -5.642 -7.175 3.444 1.00 0.78 C ATOM 116 C THR A 7 -6.326 -7.433 4.742 1.00 0.94 C ATOM 117 O THR A 7 -5.710 -7.325 5.801 1.00 0.99 O ATOM 118 CB THR A 7 -6.268 -7.912 2.298 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.398 -9.310 2.507 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.377 -7.675 1.067 1.00 0.92 C ATOM 0 H THR A 7 -3.992 -8.389 3.437 1.00 0.58 H new ATOM 0 HA THR A 7 -5.768 -6.132 3.155 1.00 0.78 H new ATOM 0 HB THR A 7 -7.282 -7.532 2.174 1.00 0.90 H new ATOM 0 HG1 THR A 7 -5.510 -9.707 2.623 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.798 -8.196 0.207 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.326 -6.607 0.855 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.374 -8.054 1.265 1.00 0.92 H new ATOM 128 N LEU A 8 -7.628 -7.764 4.780 1.00 1.17 N ATOM 129 CA LEU A 8 -8.271 -8.107 6.010 1.00 1.39 C ATOM 130 C LEU A 8 -8.459 -9.583 6.105 1.00 1.44 C ATOM 131 O LEU A 8 -7.812 -10.107 7.009 1.00 1.60 O ATOM 132 CB LEU A 8 -9.606 -7.401 6.304 1.00 1.66 C ATOM 133 CG LEU A 8 -9.336 -5.946 6.722 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.642 -5.137 6.650 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.841 -5.807 8.171 1.00 2.43 C ATOM 0 H LEU A 8 -8.235 -7.794 3.961 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.585 -7.740 6.773 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.244 -7.424 5.421 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.140 -7.925 7.097 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.567 -5.585 6.039 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.448 -4.106 6.947 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.025 -5.155 5.630 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.379 -5.576 7.322 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.671 -4.755 8.398 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.592 -6.208 8.852 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.909 -6.359 8.292 1.00 2.43 H new ATOM 147 N THR A 9 -9.230 -10.061 5.112 1.00 1.41 N ATOM 148 CA THR A 9 -9.624 -11.435 5.077 1.00 1.51 C ATOM 149 C THR A 9 -8.538 -12.446 5.215 1.00 1.37 C ATOM 150 O THR A 9 -8.717 -13.538 5.751 1.00 1.62 O ATOM 151 CB THR A 9 -10.471 -11.781 3.887 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.851 -11.329 2.692 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.661 -10.821 4.051 1.00 2.08 C ATOM 0 H THR A 9 -9.579 -9.499 4.336 1.00 1.41 H new ATOM 0 HA THR A 9 -10.218 -11.505 5.988 1.00 1.51 H new ATOM 0 HB THR A 9 -10.678 -12.850 3.834 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.413 -11.562 1.924 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.366 -10.973 3.234 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.159 -11.017 5.001 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.303 -9.792 4.035 1.00 2.08 H new ATOM 161 N GLY A 10 -7.400 -12.199 4.542 1.00 1.18 N ATOM 162 CA GLY A 10 -6.343 -13.150 4.693 1.00 1.22 C ATOM 163 C GLY A 10 -5.132 -13.075 3.828 1.00 0.99 C ATOM 164 O GLY A 10 -4.056 -13.636 4.032 1.00 1.31 O ATOM 0 H GLY A 10 -7.216 -11.401 3.934 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.004 -13.093 5.727 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.778 -14.140 4.554 1.00 1.22 H new ATOM 168 N LYS A 11 -5.300 -12.372 2.694 1.00 0.73 N ATOM 169 CA LYS A 11 -4.330 -12.257 1.650 1.00 0.60 C ATOM 170 C LYS A 11 -3.190 -11.399 2.079 1.00 0.51 C ATOM 171 O LYS A 11 -3.404 -10.439 2.817 1.00 0.63 O ATOM 172 CB LYS A 11 -4.979 -11.588 0.426 1.00 0.75 C ATOM 173 CG LYS A 11 -4.606 -12.265 -0.895 1.00 0.87 C ATOM 174 CD LYS A 11 -5.338 -11.863 -2.177 1.00 1.04 C ATOM 175 CE LYS A 11 -4.956 -12.648 -3.433 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.504 -12.052 -4.672 1.00 1.40 N ATOM 0 H LYS A 11 -6.158 -11.857 2.495 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.970 -13.257 1.411 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.063 -11.604 0.542 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.678 -10.541 0.389 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.542 -12.097 -1.060 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.743 -13.338 -0.763 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.410 -11.976 -2.012 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.154 -10.805 -2.362 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.870 -12.697 -3.509 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.315 -13.673 -3.339 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.909 -12.802 -5.268 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.246 -11.365 -4.428 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -4.743 -11.569 -5.191 1.00 1.40 H new ATOM 190 N THR A 12 -1.996 -11.655 1.514 1.00 0.49 N ATOM 191 CA THR A 12 -0.824 -10.843 1.615 1.00 0.48 C ATOM 192 C THR A 12 -0.239 -10.596 0.268 1.00 0.52 C ATOM 193 O THR A 12 0.218 -11.518 -0.406 1.00 0.72 O ATOM 194 CB THR A 12 0.308 -11.523 2.328 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.082 -11.817 3.663 1.00 0.77 O ATOM 196 CG2 THR A 12 1.587 -10.687 2.491 1.00 0.78 C ATOM 0 H THR A 12 -1.841 -12.489 0.947 1.00 0.49 H new ATOM 0 HA THR A 12 -1.166 -9.949 2.137 1.00 0.48 H new ATOM 0 HB THR A 12 0.523 -12.390 1.703 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.037 -12.785 3.811 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.340 -11.273 3.019 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.967 -10.408 1.508 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.362 -9.786 3.062 1.00 0.78 H new ATOM 204 N ILE A 13 -0.362 -9.326 -0.158 1.00 0.48 N ATOM 205 CA ILE A 13 0.094 -8.891 -1.442 1.00 0.55 C ATOM 206 C ILE A 13 1.534 -8.551 -1.266 1.00 0.51 C ATOM 207 O ILE A 13 1.763 -7.537 -0.608 1.00 0.56 O ATOM 208 CB ILE A 13 -0.692 -7.761 -2.039 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.202 -7.782 -1.752 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.477 -7.590 -3.552 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.978 -8.953 -2.355 1.00 1.55 C ATOM 0 H ILE A 13 -0.787 -8.586 0.401 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.052 -9.689 -2.170 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.274 -6.901 -1.515 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.347 -7.792 -0.672 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.636 -6.854 -2.123 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.077 -6.755 -3.913 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.576 -7.392 -3.750 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.778 -8.502 -4.068 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.032 -8.867 -2.089 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.875 -8.938 -3.440 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.582 -9.891 -1.966 1.00 1.55 H new ATOM 223 N THR A 14 2.458 -9.433 -1.689 1.00 0.55 N ATOM 224 CA THR A 14 3.873 -9.229 -1.664 1.00 0.54 C ATOM 225 C THR A 14 4.310 -8.359 -2.792 1.00 0.55 C ATOM 226 O THR A 14 4.625 -8.868 -3.867 1.00 0.72 O ATOM 227 CB THR A 14 4.637 -10.519 -1.689 1.00 0.67 C ATOM 228 OG1 THR A 14 4.142 -11.429 -0.719 1.00 1.08 O ATOM 229 CG2 THR A 14 6.124 -10.217 -1.438 1.00 1.03 C ATOM 0 H THR A 14 2.200 -10.343 -2.071 1.00 0.55 H new ATOM 0 HA THR A 14 4.096 -8.730 -0.721 1.00 0.54 H new ATOM 0 HB THR A 14 4.514 -10.989 -2.665 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.657 -12.262 -0.759 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.692 -11.147 -1.454 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.497 -9.551 -2.217 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.239 -9.738 -0.466 1.00 1.03 H new ATOM 237 N LEU A 15 4.373 -7.019 -2.695 1.00 0.50 N ATOM 238 CA LEU A 15 4.835 -6.251 -3.810 1.00 0.55 C ATOM 239 C LEU A 15 6.318 -6.124 -3.861 1.00 0.52 C ATOM 240 O LEU A 15 6.863 -5.596 -2.891 1.00 0.58 O ATOM 241 CB LEU A 15 4.177 -4.869 -3.960 1.00 0.69 C ATOM 242 CG LEU A 15 2.643 -4.943 -3.862 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.890 -3.602 -3.817 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.100 -5.812 -5.009 1.00 1.55 C ATOM 0 H LEU A 15 4.112 -6.479 -1.870 1.00 0.50 H new ATOM 0 HA LEU A 15 4.511 -6.842 -4.667 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.557 -4.201 -3.187 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.458 -4.437 -4.920 1.00 0.69 H new ATOM 0 HG LEU A 15 2.450 -5.387 -2.885 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.818 -3.789 -3.748 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.215 -3.031 -2.947 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.102 -3.035 -4.723 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.013 -5.866 -4.942 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.383 -5.371 -5.965 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.518 -6.816 -4.934 1.00 1.55 H new ATOM 256 N GLU A 16 6.940 -6.525 -4.983 1.00 0.59 N ATOM 257 CA GLU A 16 8.271 -6.096 -5.286 1.00 0.63 C ATOM 258 C GLU A 16 8.331 -4.658 -5.671 1.00 0.65 C ATOM 259 O GLU A 16 7.662 -4.237 -6.614 1.00 0.81 O ATOM 260 CB GLU A 16 8.928 -7.007 -6.337 1.00 0.76 C ATOM 261 CG GLU A 16 9.235 -8.457 -5.956 1.00 1.41 C ATOM 262 CD GLU A 16 9.582 -9.163 -7.259 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.689 -9.458 -8.096 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.766 -9.572 -7.397 1.00 1.92 O ATOM 0 H GLU A 16 6.524 -7.144 -5.679 1.00 0.59 H new ATOM 0 HA GLU A 16 8.853 -6.188 -4.369 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.279 -7.024 -7.213 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.864 -6.539 -6.643 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.064 -8.509 -5.250 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.377 -8.925 -5.474 1.00 1.41 H new ATOM 271 N VAL A 17 8.995 -3.800 -4.874 1.00 0.61 N ATOM 272 CA VAL A 17 9.034 -2.399 -5.156 1.00 0.63 C ATOM 273 C VAL A 17 10.435 -1.916 -5.003 1.00 0.65 C ATOM 274 O VAL A 17 11.262 -2.659 -4.476 1.00 0.76 O ATOM 275 CB VAL A 17 8.126 -1.519 -4.350 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.673 -2.020 -4.405 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.553 -1.566 -2.873 1.00 0.92 C ATOM 0 H VAL A 17 9.504 -4.077 -4.035 1.00 0.61 H new ATOM 0 HA VAL A 17 8.659 -2.315 -6.176 1.00 0.63 H new ATOM 0 HB VAL A 17 8.192 -0.512 -4.763 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.039 -1.362 -3.811 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.328 -2.022 -5.439 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.622 -3.032 -4.004 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.895 -0.927 -2.284 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.487 -2.591 -2.508 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.580 -1.213 -2.780 1.00 0.92 H new ATOM 287 N GLU A 18 10.781 -0.712 -5.494 1.00 0.68 N ATOM 288 CA GLU A 18 12.013 -0.064 -5.170 1.00 0.74 C ATOM 289 C GLU A 18 11.688 1.028 -4.210 1.00 0.71 C ATOM 290 O GLU A 18 10.556 1.502 -4.284 1.00 0.74 O ATOM 291 CB GLU A 18 12.773 0.510 -6.379 1.00 0.88 C ATOM 292 CG GLU A 18 13.375 -0.616 -7.221 1.00 1.16 C ATOM 293 CD GLU A 18 14.328 -1.527 -6.460 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.358 -0.942 -6.029 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.078 -2.751 -6.300 1.00 2.35 O ATOM 0 H GLU A 18 10.190 -0.177 -6.131 1.00 0.68 H new ATOM 0 HA GLU A 18 12.685 -0.812 -4.748 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.096 1.107 -6.991 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.564 1.177 -6.035 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.565 -1.219 -7.632 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.907 -0.178 -8.066 1.00 1.16 H new ATOM 302 N PRO A 19 12.508 1.565 -3.356 1.00 0.74 N ATOM 303 CA PRO A 19 12.081 2.469 -2.327 1.00 0.74 C ATOM 304 C PRO A 19 11.908 3.796 -2.984 1.00 0.70 C ATOM 305 O PRO A 19 11.246 4.646 -2.391 1.00 0.74 O ATOM 306 CB PRO A 19 13.183 2.475 -1.272 1.00 0.86 C ATOM 307 CG PRO A 19 14.408 1.850 -1.958 1.00 0.95 C ATOM 308 CD PRO A 19 13.776 0.935 -3.020 1.00 0.82 C ATOM 0 HA PRO A 19 11.143 2.195 -1.843 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.397 3.489 -0.933 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.889 1.901 -0.393 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.050 2.608 -2.408 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.022 1.288 -1.254 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.417 0.847 -3.897 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.625 -0.073 -2.633 1.00 0.82 H new ATOM 316 N SER A 20 12.383 3.969 -4.230 1.00 0.70 N ATOM 317 CA SER A 20 12.213 5.114 -5.069 1.00 0.74 C ATOM 318 C SER A 20 10.872 5.338 -5.680 1.00 0.71 C ATOM 319 O SER A 20 10.562 6.447 -6.111 1.00 0.80 O ATOM 320 CB SER A 20 13.363 5.227 -6.083 1.00 0.89 C ATOM 321 OG SER A 20 13.405 3.996 -6.792 1.00 1.45 O ATOM 0 H SER A 20 12.934 3.243 -4.689 1.00 0.70 H new ATOM 0 HA SER A 20 12.260 5.949 -4.370 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.197 6.061 -6.765 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.309 5.414 -5.576 1.00 0.89 H new ATOM 0 HG SER A 20 14.127 4.024 -7.454 1.00 1.45 H new ATOM 327 N ASP A 21 10.112 4.230 -5.758 1.00 0.70 N ATOM 328 CA ASP A 21 8.799 4.270 -6.322 1.00 0.73 C ATOM 329 C ASP A 21 7.875 5.133 -5.534 1.00 0.64 C ATOM 330 O ASP A 21 7.986 5.218 -4.313 1.00 0.66 O ATOM 331 CB ASP A 21 8.258 2.831 -6.313 1.00 0.87 C ATOM 332 CG ASP A 21 8.845 2.092 -7.508 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.479 2.503 -8.641 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.442 0.991 -7.369 1.00 1.50 O ATOM 0 H ASP A 21 10.406 3.310 -5.431 1.00 0.70 H new ATOM 0 HA ASP A 21 8.857 4.686 -7.328 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.530 2.329 -5.385 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.169 2.834 -6.366 1.00 0.87 H new ATOM 339 N THR A 22 6.909 5.808 -6.184 1.00 0.63 N ATOM 340 CA THR A 22 5.885 6.467 -5.434 1.00 0.58 C ATOM 341 C THR A 22 4.803 5.508 -5.073 1.00 0.53 C ATOM 342 O THR A 22 4.677 4.434 -5.661 1.00 0.58 O ATOM 343 CB THR A 22 5.196 7.598 -6.139 1.00 0.63 C ATOM 344 OG1 THR A 22 4.849 7.206 -7.460 1.00 0.70 O ATOM 345 CG2 THR A 22 6.036 8.865 -6.367 1.00 0.75 C ATOM 0 H THR A 22 6.836 5.897 -7.198 1.00 0.63 H new ATOM 0 HA THR A 22 6.422 6.868 -4.574 1.00 0.58 H new ATOM 0 HB THR A 22 4.363 7.823 -5.473 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.398 7.948 -7.914 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.434 9.612 -6.884 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.362 9.263 -5.406 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.908 8.619 -6.973 1.00 0.75 H new ATOM 353 N ILE A 23 3.892 5.921 -4.176 1.00 0.51 N ATOM 354 CA ILE A 23 2.783 5.200 -3.631 1.00 0.48 C ATOM 355 C ILE A 23 1.772 4.986 -4.704 1.00 0.48 C ATOM 356 O ILE A 23 1.066 3.980 -4.639 1.00 0.51 O ATOM 357 CB ILE A 23 2.253 5.861 -2.392 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.396 5.963 -1.368 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.038 5.119 -1.808 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.863 4.660 -0.721 1.00 0.73 C ATOM 0 H ILE A 23 3.940 6.865 -3.792 1.00 0.51 H new ATOM 0 HA ILE A 23 3.099 4.214 -3.291 1.00 0.48 H new ATOM 0 HB ILE A 23 1.896 6.858 -2.648 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.253 6.423 -1.861 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.082 6.642 -0.575 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.692 5.636 -0.913 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.237 5.095 -2.547 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.324 4.099 -1.550 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.671 4.871 -0.021 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.031 4.200 -0.188 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.220 3.978 -1.493 1.00 0.73 H new ATOM 372 N GLU A 24 1.702 5.919 -5.671 1.00 0.50 N ATOM 373 CA GLU A 24 1.017 5.794 -6.920 1.00 0.53 C ATOM 374 C GLU A 24 1.323 4.530 -7.648 1.00 0.50 C ATOM 375 O GLU A 24 0.433 3.802 -8.086 1.00 0.55 O ATOM 376 CB GLU A 24 1.128 7.046 -7.807 1.00 0.64 C ATOM 377 CG GLU A 24 0.133 7.098 -8.967 1.00 0.95 C ATOM 378 CD GLU A 24 -1.233 7.703 -8.674 1.00 1.05 C ATOM 379 OE1 GLU A 24 -1.367 8.938 -8.461 1.00 1.62 O ATOM 380 OE2 GLU A 24 -2.190 6.886 -8.729 1.00 1.56 O ATOM 0 H GLU A 24 2.158 6.826 -5.571 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.037 5.720 -6.653 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.986 7.929 -7.184 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.139 7.100 -8.211 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.588 7.664 -9.780 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.017 6.082 -9.332 1.00 0.95 H new ATOM 387 N ASN A 25 2.617 4.185 -7.765 1.00 0.51 N ATOM 388 CA ASN A 25 3.160 2.974 -8.299 1.00 0.52 C ATOM 389 C ASN A 25 2.768 1.792 -7.481 1.00 0.47 C ATOM 390 O ASN A 25 2.373 0.741 -7.985 1.00 0.53 O ATOM 391 CB ASN A 25 4.682 3.045 -8.507 1.00 0.64 C ATOM 392 CG ASN A 25 5.112 4.067 -9.549 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.384 4.810 -10.205 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.448 4.109 -9.800 1.00 1.57 N ATOM 0 H ASN A 25 3.354 4.818 -7.454 1.00 0.51 H new ATOM 0 HA ASN A 25 2.723 2.849 -9.290 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.158 3.286 -7.557 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.045 2.061 -8.805 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.814 4.742 -10.512 1.00 1.57 H new ATOM 0 HD22 ASN A 25 7.084 3.508 -9.277 1.00 1.57 H new ATOM 401 N VAL A 26 2.767 1.844 -6.137 1.00 0.45 N ATOM 402 CA VAL A 26 2.392 0.727 -5.326 1.00 0.44 C ATOM 403 C VAL A 26 0.946 0.388 -5.443 1.00 0.40 C ATOM 404 O VAL A 26 0.559 -0.755 -5.682 1.00 0.44 O ATOM 405 CB VAL A 26 2.716 1.068 -3.902 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.397 -0.096 -2.948 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.148 1.555 -3.622 1.00 0.62 C ATOM 0 H VAL A 26 3.030 2.674 -5.605 1.00 0.45 H new ATOM 0 HA VAL A 26 2.944 -0.149 -5.667 1.00 0.44 H new ATOM 0 HB VAL A 26 2.066 1.923 -3.713 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.646 0.192 -1.927 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.335 -0.336 -3.009 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.983 -0.970 -3.232 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.258 1.769 -2.559 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.859 0.781 -3.912 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.343 2.460 -4.197 1.00 0.62 H new ATOM 417 N LYS A 27 0.068 1.407 -5.399 1.00 0.40 N ATOM 418 CA LYS A 27 -1.329 1.181 -5.603 1.00 0.41 C ATOM 419 C LYS A 27 -1.683 0.786 -6.996 1.00 0.38 C ATOM 420 O LYS A 27 -2.625 0.045 -7.268 1.00 0.42 O ATOM 421 CB LYS A 27 -2.060 2.498 -5.293 1.00 0.51 C ATOM 422 CG LYS A 27 -2.256 2.980 -3.854 1.00 0.76 C ATOM 423 CD LYS A 27 -3.234 4.138 -3.653 1.00 0.82 C ATOM 424 CE LYS A 27 -2.785 5.369 -4.443 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.768 6.440 -4.171 1.00 1.11 N ATOM 0 H LYS A 27 0.323 2.379 -5.224 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.620 0.356 -4.953 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.529 3.288 -5.823 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.051 2.424 -5.741 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.598 2.136 -3.254 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.285 3.280 -3.459 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.232 3.838 -3.974 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.301 4.384 -2.593 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.785 5.678 -4.140 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.741 5.148 -5.509 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.062 6.878 -5.068 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.599 6.035 -3.695 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.335 7.161 -3.559 1.00 1.11 H new ATOM 439 N ALA A 28 -0.854 1.095 -8.010 1.00 0.39 N ATOM 440 CA ALA A 28 -0.980 0.603 -9.346 1.00 0.39 C ATOM 441 C ALA A 28 -0.789 -0.860 -9.558 1.00 0.36 C ATOM 442 O ALA A 28 -1.438 -1.486 -10.394 1.00 0.42 O ATOM 443 CB ALA A 28 0.042 1.334 -10.233 1.00 0.51 C ATOM 0 H ALA A 28 -0.056 1.719 -7.891 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.022 0.795 -9.601 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.040 0.971 -11.257 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.157 2.405 -10.211 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.049 1.145 -9.860 1.00 0.51 H new ATOM 449 N LYS A 29 0.134 -1.506 -8.823 1.00 0.39 N ATOM 450 CA LYS A 29 0.253 -2.923 -8.676 1.00 0.43 C ATOM 451 C LYS A 29 -0.912 -3.562 -8.003 1.00 0.44 C ATOM 452 O LYS A 29 -1.245 -4.731 -8.188 1.00 0.54 O ATOM 453 CB LYS A 29 1.551 -3.282 -7.935 1.00 0.54 C ATOM 454 CG LYS A 29 2.768 -2.732 -8.682 1.00 0.65 C ATOM 455 CD LYS A 29 4.050 -3.152 -7.960 1.00 1.08 C ATOM 456 CE LYS A 29 5.155 -2.100 -8.078 1.00 1.24 C ATOM 457 NZ LYS A 29 5.503 -1.689 -9.456 1.00 1.44 N ATOM 0 H LYS A 29 0.846 -1.002 -8.295 1.00 0.39 H new ATOM 0 HA LYS A 29 0.279 -3.324 -9.689 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.524 -2.875 -6.924 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.634 -4.365 -7.840 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.777 -3.105 -9.706 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.711 -1.645 -8.739 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.830 -3.328 -6.907 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.405 -4.096 -8.374 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.850 -1.215 -7.520 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.053 -2.487 -7.596 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.259 -0.976 -9.425 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.830 -2.517 -9.993 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.665 -1.285 -9.920 1.00 1.44 H new ATOM 471 N ILE A 30 -1.622 -2.859 -7.102 1.00 0.41 N ATOM 472 CA ILE A 30 -2.797 -3.327 -6.435 1.00 0.44 C ATOM 473 C ILE A 30 -3.962 -3.364 -7.363 1.00 0.45 C ATOM 474 O ILE A 30 -4.767 -4.292 -7.402 1.00 0.56 O ATOM 475 CB ILE A 30 -2.978 -2.663 -5.101 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.752 -2.915 -4.208 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.234 -3.127 -4.345 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.789 -2.045 -2.952 1.00 1.32 C ATOM 0 H ILE A 30 -1.361 -1.913 -6.824 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.683 -4.374 -6.153 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.096 -1.601 -5.316 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.717 -3.967 -3.923 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.842 -2.707 -4.770 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.298 -2.604 -3.391 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.120 -2.905 -4.940 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.176 -4.201 -4.167 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.908 -2.248 -2.343 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.798 -0.993 -3.238 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.687 -2.273 -2.378 1.00 1.32 H new ATOM 490 N GLN A 31 -4.086 -2.341 -8.227 1.00 0.41 N ATOM 491 CA GLN A 31 -5.043 -2.222 -9.282 1.00 0.48 C ATOM 492 C GLN A 31 -4.845 -3.273 -10.319 1.00 0.52 C ATOM 493 O GLN A 31 -5.759 -3.932 -10.811 1.00 0.66 O ATOM 494 CB GLN A 31 -5.021 -0.815 -9.904 1.00 0.52 C ATOM 495 CG GLN A 31 -5.778 -0.588 -11.214 1.00 0.70 C ATOM 496 CD GLN A 31 -7.298 -0.538 -11.203 1.00 0.97 C ATOM 497 OE1 GLN A 31 -8.002 0.461 -11.345 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.974 -1.688 -10.935 1.00 1.43 N ATOM 0 H GLN A 31 -3.466 -1.533 -8.182 1.00 0.41 H new ATOM 0 HA GLN A 31 -6.030 -2.374 -8.844 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.419 -0.119 -9.165 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.979 -0.542 -10.071 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.424 0.352 -11.637 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -5.482 -1.379 -11.903 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.463 -2.561 -10.804 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -8.992 -1.677 -10.866 1.00 1.43 H new ATOM 507 N ASP A 32 -3.593 -3.485 -10.761 1.00 0.50 N ATOM 508 CA ASP A 32 -3.179 -4.606 -11.547 1.00 0.60 C ATOM 509 C ASP A 32 -3.547 -5.958 -11.042 1.00 0.65 C ATOM 510 O ASP A 32 -3.986 -6.834 -11.786 1.00 0.81 O ATOM 511 CB ASP A 32 -1.650 -4.530 -11.703 1.00 0.67 C ATOM 512 CG ASP A 32 -1.210 -4.718 -13.148 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.973 -4.228 -14.024 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.230 -5.446 -13.460 1.00 1.51 O ATOM 0 H ASP A 32 -2.829 -2.840 -10.559 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.725 -4.517 -12.486 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.297 -3.565 -11.340 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.184 -5.294 -11.081 1.00 0.67 H new ATOM 519 N LYS A 33 -3.181 -6.272 -9.786 1.00 0.62 N ATOM 520 CA LYS A 33 -3.482 -7.539 -9.195 1.00 0.73 C ATOM 521 C LYS A 33 -4.899 -7.768 -8.798 1.00 0.69 C ATOM 522 O LYS A 33 -5.542 -8.708 -9.263 1.00 0.83 O ATOM 523 CB LYS A 33 -2.659 -7.837 -7.931 1.00 0.85 C ATOM 524 CG LYS A 33 -1.192 -8.155 -8.226 1.00 1.31 C ATOM 525 CD LYS A 33 -0.959 -9.588 -8.711 1.00 1.71 C ATOM 526 CE LYS A 33 0.505 -9.841 -9.078 1.00 2.26 C ATOM 527 NZ LYS A 33 0.688 -11.198 -9.639 1.00 2.62 N ATOM 0 H LYS A 33 -2.669 -5.638 -9.172 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.229 -8.200 -10.024 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.710 -6.978 -7.262 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.107 -8.679 -7.404 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.824 -7.461 -8.981 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.604 -7.986 -7.324 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.263 -10.288 -7.932 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.589 -9.783 -9.579 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.835 -9.097 -9.803 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.130 -9.723 -8.193 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.690 -11.342 -9.879 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.395 -11.907 -8.936 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.108 -11.300 -10.496 1.00 2.62 H new ATOM 541 N GLU A 34 -5.314 -7.015 -7.764 1.00 0.63 N ATOM 542 CA GLU A 34 -6.543 -7.266 -7.077 1.00 0.67 C ATOM 543 C GLU A 34 -7.729 -6.653 -7.736 1.00 0.69 C ATOM 544 O GLU A 34 -8.868 -7.082 -7.555 1.00 0.95 O ATOM 545 CB GLU A 34 -6.424 -6.798 -5.616 1.00 0.73 C ATOM 546 CG GLU A 34 -5.294 -7.485 -4.846 1.00 0.83 C ATOM 547 CD GLU A 34 -5.501 -8.993 -4.886 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.498 -9.552 -4.357 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.609 -9.633 -5.505 1.00 1.37 O ATOM 0 H GLU A 34 -4.789 -6.220 -7.399 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.712 -8.342 -7.109 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.261 -5.720 -5.600 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.368 -6.985 -5.105 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.330 -7.227 -5.285 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.278 -7.136 -3.814 1.00 0.83 H new ATOM 556 N GLY A 35 -7.496 -5.600 -8.540 1.00 0.63 N ATOM 557 CA GLY A 35 -8.548 -5.094 -9.365 1.00 0.68 C ATOM 558 C GLY A 35 -9.281 -3.935 -8.782 1.00 0.76 C ATOM 559 O GLY A 35 -10.428 -3.560 -9.026 1.00 1.12 O ATOM 0 H GLY A 35 -6.605 -5.110 -8.619 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.129 -4.797 -10.327 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.259 -5.897 -9.561 1.00 0.68 H new ATOM 563 N ILE A 36 -8.587 -3.215 -7.883 1.00 0.70 N ATOM 564 CA ILE A 36 -9.182 -2.190 -7.084 1.00 0.76 C ATOM 565 C ILE A 36 -8.730 -0.890 -7.653 1.00 0.71 C ATOM 566 O ILE A 36 -7.536 -0.804 -7.939 1.00 0.73 O ATOM 567 CB ILE A 36 -8.829 -2.314 -5.630 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.865 -3.742 -5.060 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.664 -1.327 -4.798 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.166 -3.926 -3.714 1.00 1.16 C ATOM 0 H ILE A 36 -7.591 -3.348 -7.708 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.268 -2.273 -7.115 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.775 -2.046 -5.556 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.906 -4.047 -4.955 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.407 -4.416 -5.784 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.400 -1.425 -3.745 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.461 -0.309 -5.130 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.724 -1.547 -4.929 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.249 -4.967 -3.400 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.114 -3.659 -3.811 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.636 -3.284 -2.969 1.00 1.16 H new ATOM 582 N PRO A 37 -9.552 0.093 -7.869 1.00 0.75 N ATOM 583 CA PRO A 37 -9.101 1.394 -8.272 1.00 0.79 C ATOM 584 C PRO A 37 -8.284 2.125 -7.264 1.00 0.75 C ATOM 585 O PRO A 37 -8.645 1.970 -6.099 1.00 0.75 O ATOM 586 CB PRO A 37 -10.371 2.166 -8.623 1.00 0.95 C ATOM 587 CG PRO A 37 -11.427 1.068 -8.830 1.00 1.02 C ATOM 588 CD PRO A 37 -11.000 -0.055 -7.872 1.00 0.85 C ATOM 0 HA PRO A 37 -8.413 1.291 -9.111 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.657 2.849 -7.823 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.238 2.766 -9.523 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.428 1.430 -8.597 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.445 0.723 -9.864 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.426 0.072 -6.877 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.310 -1.037 -8.229 1.00 0.85 H new ATOM 596 N PRO A 38 -7.306 2.942 -7.522 1.00 0.81 N ATOM 597 CA PRO A 38 -6.445 3.473 -6.507 1.00 0.85 C ATOM 598 C PRO A 38 -7.135 4.623 -5.857 1.00 0.89 C ATOM 599 O PRO A 38 -6.667 5.113 -4.830 1.00 0.99 O ATOM 600 CB PRO A 38 -5.291 4.037 -7.333 1.00 1.01 C ATOM 601 CG PRO A 38 -5.740 4.262 -8.786 1.00 1.25 C ATOM 602 CD PRO A 38 -6.748 3.103 -8.856 1.00 0.98 C ATOM 0 HA PRO A 38 -6.156 2.750 -5.744 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.950 4.977 -6.900 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.446 3.349 -7.308 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.197 5.238 -8.948 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.927 4.168 -9.506 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.534 3.319 -9.579 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.258 2.185 -9.182 1.00 0.98 H new ATOM 610 N ASP A 39 -8.275 5.122 -6.369 1.00 0.96 N ATOM 611 CA ASP A 39 -9.112 6.055 -5.682 1.00 1.11 C ATOM 612 C ASP A 39 -9.823 5.409 -4.542 1.00 1.00 C ATOM 613 O ASP A 39 -10.288 6.143 -3.673 1.00 1.14 O ATOM 614 CB ASP A 39 -10.179 6.653 -6.614 1.00 1.39 C ATOM 615 CG ASP A 39 -9.404 7.239 -7.786 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.682 8.238 -7.519 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.434 6.778 -8.957 1.00 2.23 O ATOM 0 H ASP A 39 -8.625 4.867 -7.292 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.451 6.842 -5.318 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.881 5.890 -6.949 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.761 7.420 -6.104 1.00 1.39 H new ATOM 622 N GLN A 40 -10.033 4.080 -4.537 1.00 0.87 N ATOM 623 CA GLN A 40 -10.762 3.394 -3.516 1.00 0.84 C ATOM 624 C GLN A 40 -9.787 2.942 -2.484 1.00 0.67 C ATOM 625 O GLN A 40 -10.209 2.697 -1.355 1.00 0.80 O ATOM 626 CB GLN A 40 -11.369 2.095 -4.074 1.00 0.95 C ATOM 627 CG GLN A 40 -12.615 1.671 -3.292 1.00 1.32 C ATOM 628 CD GLN A 40 -13.151 0.319 -3.741 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.029 -0.068 -4.902 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.769 -0.392 -2.759 1.00 2.02 N ATOM 0 H GLN A 40 -9.683 3.462 -5.269 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.532 4.062 -3.132 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.628 2.236 -5.123 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.625 1.299 -4.033 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.377 1.629 -2.229 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.392 2.426 -3.415 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.834 -0.009 -1.816 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.167 -1.308 -2.966 1.00 2.02 H new ATOM 639 N GLN A 41 -8.485 2.783 -2.780 1.00 0.56 N ATOM 640 CA GLN A 41 -7.610 2.185 -1.821 1.00 0.51 C ATOM 641 C GLN A 41 -7.219 3.179 -0.782 1.00 0.49 C ATOM 642 O GLN A 41 -7.032 4.379 -0.980 1.00 0.65 O ATOM 643 CB GLN A 41 -6.388 1.857 -2.693 1.00 0.67 C ATOM 644 CG GLN A 41 -6.598 0.697 -3.669 1.00 0.69 C ATOM 645 CD GLN A 41 -5.304 0.411 -4.416 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.223 0.374 -3.829 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.338 0.117 -5.744 1.00 0.61 N ATOM 0 H GLN A 41 -8.047 3.060 -3.659 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.044 1.335 -1.294 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.112 2.747 -3.259 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.546 1.620 -2.042 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.920 -0.192 -3.127 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.390 0.944 -4.376 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.224 0.142 -6.249 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.478 -0.128 -6.234 1.00 0.61 H new ATOM 656 N ARG A 42 -6.897 2.725 0.442 1.00 0.47 N ATOM 657 CA ARG A 42 -6.109 3.459 1.383 1.00 0.55 C ATOM 658 C ARG A 42 -4.958 2.614 1.806 1.00 0.46 C ATOM 659 O ARG A 42 -5.125 1.452 2.172 1.00 0.52 O ATOM 660 CB ARG A 42 -6.867 4.017 2.600 1.00 0.73 C ATOM 661 CG ARG A 42 -7.568 5.343 2.298 1.00 1.04 C ATOM 662 CD ARG A 42 -8.377 5.903 3.470 1.00 1.28 C ATOM 663 NE ARG A 42 -8.510 7.356 3.173 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.108 8.237 4.027 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.776 7.748 5.112 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.092 9.578 3.774 1.00 2.78 N ATOM 0 H ARG A 42 -7.196 1.814 0.789 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.771 4.355 0.862 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.606 3.286 2.930 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.169 4.159 3.425 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.820 6.078 2.003 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.232 5.204 1.445 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.353 5.422 3.544 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.867 5.737 4.419 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.137 7.709 2.292 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.821 6.742 5.272 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.230 8.389 5.763 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.629 9.934 2.938 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.543 10.225 4.421 1.00 2.78 H new ATOM 680 N LEU A 43 -3.726 3.136 1.944 1.00 0.46 N ATOM 681 CA LEU A 43 -2.598 2.383 2.399 1.00 0.42 C ATOM 682 C LEU A 43 -2.209 3.036 3.681 1.00 0.43 C ATOM 683 O LEU A 43 -1.712 4.162 3.682 1.00 0.55 O ATOM 684 CB LEU A 43 -1.453 2.481 1.377 1.00 0.55 C ATOM 685 CG LEU A 43 -1.643 1.660 0.091 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.358 1.726 -0.751 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.951 0.188 0.408 1.00 1.12 C ATOM 0 H LEU A 43 -3.508 4.110 1.733 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.822 1.324 2.525 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.322 3.528 1.103 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.530 2.160 1.860 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.485 2.082 -0.458 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.491 1.144 -1.663 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.145 2.763 -1.010 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.474 1.317 -0.178 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.080 -0.365 -0.522 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.126 -0.243 0.975 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.866 0.126 0.997 1.00 1.12 H new ATOM 699 N ILE A 44 -2.410 2.313 4.797 1.00 0.42 N ATOM 700 CA ILE A 44 -2.017 2.678 6.122 1.00 0.46 C ATOM 701 C ILE A 44 -0.739 1.941 6.330 1.00 0.42 C ATOM 702 O ILE A 44 -0.617 0.799 5.892 1.00 0.53 O ATOM 703 CB ILE A 44 -2.925 2.287 7.250 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.375 2.727 6.991 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.495 2.910 8.588 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.534 4.233 6.786 1.00 1.27 C ATOM 0 H ILE A 44 -2.881 1.409 4.770 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.993 3.767 6.160 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.859 1.201 7.307 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.751 2.208 6.109 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.995 2.417 7.832 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.183 2.597 9.373 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.487 2.579 8.836 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.509 3.997 8.505 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.584 4.467 6.609 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.190 4.760 7.676 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.942 4.548 5.927 1.00 1.27 H new ATOM 718 N PHE A 45 0.251 2.551 7.006 1.00 0.42 N ATOM 719 CA PHE A 45 1.495 1.918 7.317 1.00 0.46 C ATOM 720 C PHE A 45 1.626 1.785 8.796 1.00 0.68 C ATOM 721 O PHE A 45 0.925 0.909 9.301 1.00 1.50 O ATOM 722 CB PHE A 45 2.617 2.669 6.582 1.00 0.56 C ATOM 723 CG PHE A 45 3.985 2.128 6.821 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.190 0.788 7.050 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.076 2.944 7.000 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.343 0.323 7.640 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.225 2.570 7.657 1.00 1.33 C ATOM 728 CZ PHE A 45 6.322 1.233 7.961 1.00 1.02 C ATOM 0 H PHE A 45 0.185 3.511 7.346 1.00 0.42 H new ATOM 0 HA PHE A 45 1.559 0.892 6.956 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.412 2.644 5.512 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.596 3.715 6.886 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.426 0.082 6.759 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.028 3.945 6.598 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.475 -0.729 7.845 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.998 3.278 7.916 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.205 0.882 8.474 1.00 1.02 H new ATOM 738 N ALA A 46 2.487 2.491 9.549 1.00 0.81 N ATOM 739 CA ALA A 46 2.573 2.316 10.966 1.00 0.96 C ATOM 740 C ALA A 46 1.672 3.234 11.720 1.00 0.97 C ATOM 741 O ALA A 46 1.047 2.797 12.685 1.00 1.21 O ATOM 742 CB ALA A 46 3.992 2.471 11.538 1.00 1.20 C ATOM 0 H ALA A 46 3.129 3.189 9.173 1.00 0.81 H new ATOM 0 HA ALA A 46 2.255 1.283 11.105 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.967 2.323 12.618 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.650 1.729 11.085 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.366 3.471 11.317 1.00 1.20 H new ATOM 748 N GLY A 47 1.470 4.433 11.145 1.00 0.99 N ATOM 749 CA GLY A 47 0.733 5.541 11.667 1.00 1.10 C ATOM 750 C GLY A 47 0.176 6.447 10.623 1.00 1.03 C ATOM 751 O GLY A 47 -0.897 7.027 10.779 1.00 1.30 O ATOM 0 H GLY A 47 1.861 4.644 10.227 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.086 5.163 12.279 1.00 1.10 H new ATOM 0 HA3 GLY A 47 1.383 6.118 12.325 1.00 1.10 H new ATOM 755 N LYS A 48 1.024 6.682 9.606 1.00 0.98 N ATOM 756 CA LYS A 48 0.791 7.515 8.467 1.00 1.05 C ATOM 757 C LYS A 48 -0.019 6.792 7.447 1.00 0.84 C ATOM 758 O LYS A 48 0.142 5.622 7.099 1.00 0.81 O ATOM 759 CB LYS A 48 2.112 8.020 7.861 1.00 1.42 C ATOM 760 CG LYS A 48 2.975 8.783 8.868 1.00 1.61 C ATOM 761 CD LYS A 48 2.336 10.106 9.295 1.00 1.87 C ATOM 762 CE LYS A 48 3.114 10.840 10.389 1.00 2.22 C ATOM 763 NZ LYS A 48 4.526 11.137 10.059 1.00 2.55 N ATOM 0 H LYS A 48 1.949 6.253 9.580 1.00 0.98 H new ATOM 0 HA LYS A 48 0.228 8.387 8.800 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.677 7.171 7.475 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.892 8.669 7.013 1.00 1.42 H new ATOM 0 HG2 LYS A 48 3.139 8.161 9.748 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.953 8.979 8.429 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.251 10.756 8.424 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.323 9.913 9.649 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.603 11.777 10.611 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.087 10.239 11.298 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.972 11.634 10.856 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.034 10.248 9.877 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.565 11.738 9.211 1.00 2.55 H new ATOM 777 N GLN A 49 -0.993 7.565 6.934 1.00 0.84 N ATOM 778 CA GLN A 49 -1.836 7.311 5.807 1.00 0.80 C ATOM 779 C GLN A 49 -1.166 7.854 4.593 1.00 0.72 C ATOM 780 O GLN A 49 -1.295 9.005 4.184 1.00 0.83 O ATOM 781 CB GLN A 49 -3.216 7.894 6.158 1.00 1.03 C ATOM 782 CG GLN A 49 -4.182 7.513 5.034 1.00 1.67 C ATOM 783 CD GLN A 49 -5.519 8.236 5.097 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.278 7.972 6.028 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.747 9.282 4.257 1.00 2.48 N ATOM 0 H GLN A 49 -1.211 8.467 7.358 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.999 6.258 5.577 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.566 7.501 7.112 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.158 8.978 6.262 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.710 7.726 4.075 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.360 6.438 5.070 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.098 9.474 3.494 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.567 9.874 4.390 1.00 2.48 H new ATOM 794 N LEU A 50 -0.440 6.982 3.869 1.00 0.69 N ATOM 795 CA LEU A 50 0.512 7.410 2.892 1.00 0.66 C ATOM 796 C LEU A 50 -0.030 8.287 1.815 1.00 0.72 C ATOM 797 O LEU A 50 -1.038 8.000 1.172 1.00 0.90 O ATOM 798 CB LEU A 50 1.278 6.206 2.319 1.00 0.65 C ATOM 799 CG LEU A 50 1.624 5.113 3.343 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.895 3.780 2.626 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.838 5.560 4.175 1.00 0.74 C ATOM 0 H LEU A 50 -0.515 5.969 3.963 1.00 0.69 H new ATOM 0 HA LEU A 50 1.206 8.056 3.430 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.683 5.761 1.522 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.202 6.564 1.865 1.00 0.65 H new ATOM 0 HG LEU A 50 0.781 4.960 4.017 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.139 3.014 3.362 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.007 3.479 2.070 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.731 3.901 1.937 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.085 4.787 4.902 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.690 5.724 3.516 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.600 6.486 4.698 1.00 0.74 H new ATOM 813 N GLU A 51 0.764 9.298 1.422 1.00 0.70 N ATOM 814 CA GLU A 51 0.447 10.142 0.312 1.00 0.76 C ATOM 815 C GLU A 51 0.829 9.591 -1.019 1.00 0.77 C ATOM 816 O GLU A 51 1.811 8.854 -1.092 1.00 1.23 O ATOM 817 CB GLU A 51 0.878 11.609 0.481 1.00 0.88 C ATOM 818 CG GLU A 51 0.386 12.479 1.638 1.00 1.35 C ATOM 819 CD GLU A 51 1.191 13.770 1.702 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.456 14.387 0.636 1.00 1.94 O ATOM 821 OE2 GLU A 51 1.651 14.095 2.829 1.00 1.89 O ATOM 0 H GLU A 51 1.643 9.534 1.883 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.643 10.151 0.322 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.967 11.611 0.530 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.599 12.124 -0.438 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.672 12.707 1.507 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.481 11.935 2.578 1.00 1.35 H new ATOM 828 N ASP A 52 0.078 9.955 -2.073 1.00 0.66 N ATOM 829 CA ASP A 52 0.168 9.365 -3.372 1.00 0.65 C ATOM 830 C ASP A 52 1.438 9.566 -4.126 1.00 0.60 C ATOM 831 O ASP A 52 2.119 8.661 -4.606 1.00 0.62 O ATOM 832 CB ASP A 52 -1.019 9.786 -4.256 1.00 0.81 C ATOM 833 CG ASP A 52 -2.345 9.560 -3.546 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.596 8.441 -3.022 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.100 10.568 -3.497 1.00 1.56 O ATOM 0 H ASP A 52 -0.623 10.694 -2.017 1.00 0.66 H new ATOM 0 HA ASP A 52 0.145 8.298 -3.149 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.921 10.838 -4.522 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.001 9.219 -5.187 1.00 0.81 H new ATOM 840 N GLY A 53 1.713 10.882 -4.157 1.00 0.68 N ATOM 841 CA GLY A 53 2.924 11.436 -4.677 1.00 0.73 C ATOM 842 C GLY A 53 3.960 11.690 -3.635 1.00 0.72 C ATOM 843 O GLY A 53 4.465 12.810 -3.588 1.00 0.97 O ATOM 0 H GLY A 53 1.066 11.588 -3.806 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.332 10.757 -5.425 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.696 12.372 -5.187 1.00 0.73 H new ATOM 847 N ARG A 54 4.279 10.585 -2.939 1.00 0.64 N ATOM 848 CA ARG A 54 5.459 10.493 -2.137 1.00 0.63 C ATOM 849 C ARG A 54 6.084 9.190 -2.503 1.00 0.59 C ATOM 850 O ARG A 54 5.484 8.310 -3.118 1.00 0.62 O ATOM 851 CB ARG A 54 5.121 10.397 -0.640 1.00 0.69 C ATOM 852 CG ARG A 54 4.528 11.698 -0.094 1.00 0.82 C ATOM 853 CD ARG A 54 5.587 12.757 0.219 1.00 1.18 C ATOM 854 NE ARG A 54 4.820 13.962 0.641 1.00 1.50 N ATOM 855 CZ ARG A 54 4.805 15.092 -0.126 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.738 15.262 -1.108 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.803 15.999 0.064 1.00 2.49 N ATOM 0 H ARG A 54 3.708 9.740 -2.933 1.00 0.64 H new ATOM 0 HA ARG A 54 6.087 11.368 -2.305 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.414 9.583 -0.481 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.023 10.149 -0.081 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.823 12.102 -0.821 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.962 11.480 0.812 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.259 12.421 1.009 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.203 12.968 -0.655 1.00 1.18 H new ATOM 0 HE ARG A 54 4.298 13.943 1.517 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.446 14.545 -1.269 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.727 16.106 -1.681 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.085 15.826 0.768 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.772 16.850 -0.498 1.00 2.49 H new ATOM 871 N THR A 55 7.333 9.043 -2.026 1.00 0.63 N ATOM 872 CA THR A 55 7.993 7.783 -2.177 1.00 0.61 C ATOM 873 C THR A 55 8.108 7.017 -0.905 1.00 0.59 C ATOM 874 O THR A 55 7.954 7.525 0.205 1.00 0.64 O ATOM 875 CB THR A 55 9.345 7.933 -2.808 1.00 0.68 C ATOM 876 OG1 THR A 55 10.375 8.553 -2.052 1.00 0.75 O ATOM 877 CG2 THR A 55 9.206 8.680 -4.145 1.00 0.76 C ATOM 0 H THR A 55 7.871 9.768 -1.552 1.00 0.63 H new ATOM 0 HA THR A 55 7.353 7.206 -2.844 1.00 0.61 H new ATOM 0 HB THR A 55 9.680 6.901 -2.913 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.986 9.240 -1.472 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.188 8.790 -4.604 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.555 8.115 -4.812 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.776 9.666 -3.968 1.00 0.76 H new ATOM 885 N LEU A 56 8.423 5.715 -1.022 1.00 0.58 N ATOM 886 CA LEU A 56 8.568 4.824 0.088 1.00 0.59 C ATOM 887 C LEU A 56 9.729 5.147 0.965 1.00 0.64 C ATOM 888 O LEU A 56 9.703 4.980 2.182 1.00 0.70 O ATOM 889 CB LEU A 56 8.710 3.400 -0.477 1.00 0.60 C ATOM 890 CG LEU A 56 7.414 3.002 -1.203 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.661 1.853 -2.195 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.437 2.491 -0.130 1.00 1.03 C ATOM 0 H LEU A 56 8.583 5.265 -1.923 1.00 0.58 H new ATOM 0 HA LEU A 56 7.687 4.922 0.723 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.554 3.353 -1.166 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.918 2.697 0.330 1.00 0.60 H new ATOM 0 HG LEU A 56 7.028 3.861 -1.752 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.726 1.594 -2.692 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.393 2.166 -2.939 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.039 0.983 -1.658 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.500 2.196 -0.602 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.873 1.631 0.379 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.245 3.283 0.594 1.00 1.03 H new ATOM 904 N SER A 57 10.696 5.825 0.320 1.00 0.68 N ATOM 905 CA SER A 57 11.924 6.345 0.839 1.00 0.75 C ATOM 906 C SER A 57 11.670 7.410 1.849 1.00 0.76 C ATOM 907 O SER A 57 12.374 7.558 2.846 1.00 0.84 O ATOM 908 CB SER A 57 12.784 6.937 -0.290 1.00 0.84 C ATOM 909 OG SER A 57 14.062 7.386 0.133 1.00 1.19 O ATOM 0 H SER A 57 10.604 6.030 -0.675 1.00 0.68 H new ATOM 0 HA SER A 57 12.452 5.516 1.310 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.914 6.184 -1.067 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.248 7.772 -0.742 1.00 0.84 H new ATOM 0 HG SER A 57 14.552 7.747 -0.635 1.00 1.19 H new ATOM 915 N ASP A 58 10.680 8.295 1.636 1.00 0.75 N ATOM 916 CA ASP A 58 10.239 9.287 2.567 1.00 0.78 C ATOM 917 C ASP A 58 9.589 8.781 3.810 1.00 0.77 C ATOM 918 O ASP A 58 9.742 9.433 4.841 1.00 0.86 O ATOM 919 CB ASP A 58 9.293 10.233 1.810 1.00 0.83 C ATOM 920 CG ASP A 58 9.941 10.818 0.563 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.989 11.512 0.648 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.345 10.510 -0.503 1.00 1.86 O ATOM 0 H ASP A 58 10.156 8.319 0.761 1.00 0.75 H new ATOM 0 HA ASP A 58 11.132 9.789 2.939 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.390 9.692 1.528 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.986 11.043 2.472 1.00 0.83 H new ATOM 927 N TYR A 59 8.889 7.634 3.758 1.00 0.72 N ATOM 928 CA TYR A 59 8.265 7.051 4.906 1.00 0.73 C ATOM 929 C TYR A 59 9.104 6.085 5.669 1.00 0.76 C ATOM 930 O TYR A 59 8.689 5.523 6.680 1.00 0.89 O ATOM 931 CB TYR A 59 7.090 6.223 4.359 1.00 0.73 C ATOM 932 CG TYR A 59 6.019 7.175 3.950 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.341 7.780 4.981 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.738 7.448 2.632 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.385 8.726 4.697 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.763 8.383 2.377 1.00 0.70 C ATOM 937 CZ TYR A 59 4.067 9.002 3.389 1.00 0.74 C ATOM 938 OH TYR A 59 3.270 10.089 2.973 1.00 0.86 O ATOM 0 H TYR A 59 8.753 7.100 2.900 1.00 0.72 H new ATOM 0 HA TYR A 59 8.018 7.868 5.583 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.410 5.619 3.510 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.720 5.534 5.119 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.557 7.515 6.005 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.262 6.949 1.830 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.886 9.250 5.499 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.537 8.639 1.352 1.00 0.70 H new ATOM 0 HH TYR A 59 3.812 10.905 2.959 1.00 0.86 H new ATOM 948 N ASN A 60 10.366 5.904 5.238 1.00 0.74 N ATOM 949 CA ASN A 60 11.289 5.032 5.897 1.00 0.79 C ATOM 950 C ASN A 60 10.869 3.614 5.709 1.00 0.75 C ATOM 951 O ASN A 60 11.166 2.813 6.593 1.00 0.86 O ATOM 952 CB ASN A 60 11.629 5.381 7.355 1.00 0.95 C ATOM 953 CG ASN A 60 11.784 6.887 7.513 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.599 7.517 6.840 1.00 1.84 O ATOM 955 ND2 ASN A 60 10.899 7.483 8.355 1.00 1.83 N ATOM 0 H ASN A 60 10.752 6.371 4.418 1.00 0.74 H new ATOM 0 HA ASN A 60 12.249 5.188 5.405 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.842 5.018 8.016 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.551 4.880 7.651 1.00 0.95 H new ATOM 0 HD21 ASN A 60 10.891 8.498 8.451 1.00 1.83 H new ATOM 0 HD22 ASN A 60 10.243 6.915 8.891 1.00 1.83 H new ATOM 962 N ILE A 61 10.153 3.215 4.641 1.00 0.67 N ATOM 963 CA ILE A 61 9.684 1.900 4.334 1.00 0.65 C ATOM 964 C ILE A 61 10.774 1.072 3.748 1.00 0.66 C ATOM 965 O ILE A 61 11.557 1.422 2.867 1.00 0.75 O ATOM 966 CB ILE A 61 8.432 2.029 3.518 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.230 2.501 4.354 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.108 0.578 3.124 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.113 3.025 3.453 1.00 0.82 C ATOM 0 H ILE A 61 9.877 3.884 3.922 1.00 0.67 H new ATOM 0 HA ILE A 61 9.405 1.343 5.229 1.00 0.65 H new ATOM 0 HB ILE A 61 8.586 2.737 2.704 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.857 1.676 4.960 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.546 3.285 5.042 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.201 0.559 2.519 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.936 0.163 2.549 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.956 -0.018 4.024 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.274 3.353 4.067 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.483 3.865 2.866 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.784 2.231 2.783 1.00 0.82 H new ATOM 981 N GLN A 62 11.028 -0.134 4.290 1.00 0.67 N ATOM 982 CA GLN A 62 12.148 -0.995 4.074 1.00 0.70 C ATOM 983 C GLN A 62 11.641 -2.365 3.785 1.00 0.62 C ATOM 984 O GLN A 62 10.438 -2.613 3.852 1.00 0.64 O ATOM 985 CB GLN A 62 13.054 -0.997 5.317 1.00 0.85 C ATOM 986 CG GLN A 62 14.506 -1.395 5.046 1.00 1.27 C ATOM 987 CD GLN A 62 15.105 -0.872 3.748 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.371 -1.731 2.908 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.143 0.472 3.540 1.00 2.16 N ATOM 0 H GLN A 62 10.372 -0.547 4.953 1.00 0.67 H new ATOM 0 HA GLN A 62 12.739 -0.643 3.229 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.041 -0.002 5.762 1.00 0.85 H new ATOM 0 HB3 GLN A 62 12.635 -1.681 6.055 1.00 0.85 H new ATOM 0 HG2 GLN A 62 15.120 -1.043 5.875 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.570 -2.483 5.041 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.905 1.112 4.298 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.409 0.839 2.626 1.00 2.16 H new ATOM 998 N LYS A 63 12.534 -3.286 3.381 1.00 0.64 N ATOM 999 CA LYS A 63 12.292 -4.661 3.072 1.00 0.62 C ATOM 1000 C LYS A 63 11.614 -5.452 4.138 1.00 0.59 C ATOM 1001 O LYS A 63 11.831 -5.367 5.345 1.00 0.66 O ATOM 1002 CB LYS A 63 13.638 -5.321 2.729 1.00 0.74 C ATOM 1003 CG LYS A 63 14.618 -5.577 3.875 1.00 0.89 C ATOM 1004 CD LYS A 63 15.814 -6.309 3.262 1.00 1.11 C ATOM 1005 CE LYS A 63 15.731 -7.793 2.900 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.413 -8.589 4.107 1.00 2.12 N ATOM 0 H LYS A 63 13.517 -3.043 3.260 1.00 0.64 H new ATOM 0 HA LYS A 63 11.595 -4.663 2.234 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.430 -6.276 2.247 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.140 -4.694 1.992 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.930 -4.640 4.336 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.154 -6.178 4.657 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.083 -5.773 2.352 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.647 -6.196 3.956 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.966 -7.948 2.139 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.677 -8.126 2.473 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.637 -9.589 3.932 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.977 -8.243 4.910 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.401 -8.495 4.328 1.00 2.12 H new ATOM 1020 N GLU A 64 10.562 -6.164 3.694 1.00 0.57 N ATOM 1021 CA GLU A 64 9.707 -7.073 4.391 1.00 0.58 C ATOM 1022 C GLU A 64 8.893 -6.389 5.435 1.00 0.56 C ATOM 1023 O GLU A 64 8.606 -6.989 6.470 1.00 0.70 O ATOM 1024 CB GLU A 64 10.548 -8.222 4.970 1.00 0.72 C ATOM 1025 CG GLU A 64 11.362 -8.749 3.787 1.00 0.96 C ATOM 1026 CD GLU A 64 12.202 -9.997 4.022 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.941 -10.059 5.040 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.195 -10.942 3.189 1.00 1.71 O ATOM 0 H GLU A 64 10.279 -6.088 2.717 1.00 0.57 H new ATOM 0 HA GLU A 64 8.989 -7.489 3.684 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.198 -7.871 5.772 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.914 -9.002 5.392 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.673 -8.955 2.968 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.027 -7.952 3.452 1.00 0.96 H new ATOM 1035 N SER A 65 8.488 -5.139 5.151 1.00 0.51 N ATOM 1036 CA SER A 65 7.671 -4.394 6.058 1.00 0.51 C ATOM 1037 C SER A 65 6.217 -4.588 5.796 1.00 0.43 C ATOM 1038 O SER A 65 5.748 -4.683 4.663 1.00 0.50 O ATOM 1039 CB SER A 65 8.030 -2.898 6.049 1.00 0.65 C ATOM 1040 OG SER A 65 7.439 -2.196 7.133 1.00 1.04 O ATOM 0 H SER A 65 8.726 -4.643 4.292 1.00 0.51 H new ATOM 0 HA SER A 65 7.880 -4.786 7.053 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.113 -2.786 6.094 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.702 -2.454 5.109 1.00 0.65 H new ATOM 0 HG SER A 65 6.920 -1.440 6.789 1.00 1.04 H new ATOM 1046 N THR A 66 5.443 -4.665 6.894 1.00 0.45 N ATOM 1047 CA THR A 66 4.029 -4.874 6.912 1.00 0.45 C ATOM 1048 C THR A 66 3.220 -3.636 6.732 1.00 0.43 C ATOM 1049 O THR A 66 3.319 -2.739 7.568 1.00 0.58 O ATOM 1050 CB THR A 66 3.509 -5.480 8.182 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.295 -6.559 8.667 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.109 -6.031 7.867 1.00 0.78 C ATOM 0 H THR A 66 5.833 -4.575 7.832 1.00 0.45 H new ATOM 0 HA THR A 66 3.911 -5.553 6.067 1.00 0.45 H new ATOM 0 HB THR A 66 3.521 -4.707 8.950 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.901 -6.904 9.495 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.686 -6.484 8.764 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.465 -5.218 7.533 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.182 -6.782 7.081 1.00 0.78 H new ATOM 1060 N LEU A 67 2.506 -3.478 5.604 1.00 0.38 N ATOM 1061 CA LEU A 67 1.641 -2.385 5.286 1.00 0.38 C ATOM 1062 C LEU A 67 0.204 -2.779 5.324 1.00 0.37 C ATOM 1063 O LEU A 67 -0.192 -3.931 5.494 1.00 0.50 O ATOM 1064 CB LEU A 67 1.997 -1.660 3.978 1.00 0.46 C ATOM 1065 CG LEU A 67 3.251 -0.771 3.911 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.616 -1.414 4.202 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.289 -0.120 2.518 1.00 1.31 C ATOM 0 H LEU A 67 2.537 -4.170 4.856 1.00 0.38 H new ATOM 0 HA LEU A 67 1.808 -1.654 6.077 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.095 -2.419 3.202 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.143 -1.038 3.709 1.00 0.46 H new ATOM 0 HG LEU A 67 3.131 -0.069 4.736 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.399 -0.661 4.115 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.617 -1.824 5.212 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.801 -2.214 3.485 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.169 0.518 2.439 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.334 -0.897 1.755 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.391 0.480 2.372 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.754 -1.836 5.322 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.125 -2.235 5.405 1.00 0.37 C ATOM 1081 C HIS A 68 -2.902 -1.709 4.248 1.00 0.35 C ATOM 1082 O HIS A 68 -2.903 -0.514 3.960 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.725 -1.800 6.753 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.887 -2.207 7.929 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.076 -1.341 8.633 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.547 -3.454 8.350 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.245 -2.130 9.366 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.510 -3.418 9.260 1.00 1.51 N ATOM 0 H HIS A 68 -0.590 -0.831 5.265 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.181 -3.322 5.356 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.845 -0.717 6.758 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.720 -2.232 6.857 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.029 -4.360 8.014 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.556 -1.739 9.977 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.058 -4.199 9.736 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.691 -2.600 3.620 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.590 -2.230 2.571 1.00 0.38 C ATOM 1098 C LEU A 69 -5.957 -2.089 3.148 1.00 0.41 C ATOM 1099 O LEU A 69 -6.643 -3.057 3.474 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.537 -3.148 1.338 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.460 -2.836 0.148 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.066 -1.657 -0.758 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.544 -4.105 -0.718 1.00 1.14 C ATOM 0 H LEU A 69 -3.705 -3.595 3.845 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.269 -1.269 2.168 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.511 -3.149 0.970 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.757 -4.162 1.671 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.406 -2.528 0.594 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.802 -1.549 -1.555 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.032 -0.741 -0.169 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.084 -1.845 -1.193 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.193 -3.919 -1.574 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.547 -4.372 -1.069 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.951 -4.924 -0.125 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.440 -0.837 3.243 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.693 -0.395 3.772 1.00 0.56 C ATOM 1117 C VAL A 70 -8.566 -0.010 2.628 1.00 0.55 C ATOM 1118 O VAL A 70 -7.982 0.522 1.684 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.538 0.776 4.698 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.894 0.984 5.393 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.573 0.339 5.813 1.00 0.97 C ATOM 0 H VAL A 70 -5.886 -0.048 2.910 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.131 -1.207 4.352 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.197 1.663 4.164 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.826 1.829 6.078 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.660 1.185 4.644 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.159 0.086 5.950 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.429 1.162 6.513 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.991 -0.518 6.341 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.613 0.063 5.376 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.894 -0.207 2.546 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.606 0.188 1.371 1.00 0.84 C ATOM 1133 C LEU A 71 -11.690 1.133 1.760 1.00 0.85 C ATOM 1134 O LEU A 71 -12.299 1.107 2.829 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.275 -0.988 0.639 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.299 -2.018 0.045 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.832 -3.247 -0.710 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.268 -1.347 -0.878 1.00 2.78 C ATOM 0 H LEU A 71 -10.465 -0.631 3.277 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.873 0.637 0.701 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.941 -1.499 1.334 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.896 -0.592 -0.164 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.891 -2.421 0.972 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.995 -3.855 -1.053 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.461 -3.838 -0.044 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.419 -2.920 -1.568 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.594 -2.103 -1.281 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.784 -0.847 -1.698 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.694 -0.614 -0.311 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.919 2.044 0.799 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.966 3.018 0.774 1.00 1.10 C ATOM 1152 C ARG A 72 -14.032 2.373 -0.043 1.00 1.35 C ATOM 1153 O ARG A 72 -14.018 1.231 -0.500 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.557 4.419 0.291 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.333 4.967 1.031 1.00 1.65 C ATOM 1156 CD ARG A 72 -10.990 6.369 0.524 1.00 1.99 C ATOM 1157 NE ARG A 72 -12.012 7.357 0.967 1.00 2.54 N ATOM 1158 CZ ARG A 72 -11.800 8.706 0.943 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -10.717 9.228 0.295 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -12.720 9.587 1.432 1.00 3.75 N ATOM 0 H ARG A 72 -11.323 2.104 -0.027 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.303 3.260 1.782 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -12.344 4.382 -0.777 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -13.394 5.104 0.426 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -11.531 4.999 2.102 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -10.482 4.301 0.884 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -10.008 6.664 0.894 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -10.932 6.363 -0.564 1.00 1.99 H new ATOM 0 HE ARG A 72 -12.911 7.011 1.303 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -10.058 8.609 -0.177 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -10.567 10.237 0.283 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -13.594 9.243 1.829 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -12.533 10.589 1.400 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.001 3.250 -0.363 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.030 3.008 -1.326 1.00 1.93 C ATOM 1176 C LEU A 73 -15.773 3.783 -2.573 1.00 2.13 C ATOM 1177 O LEU A 73 -15.698 3.275 -3.691 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.422 3.315 -0.750 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.831 2.313 0.342 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -19.262 2.594 0.834 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.811 0.822 -0.034 1.00 3.14 C ATOM 0 H LEU A 73 -15.070 4.171 0.070 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.014 1.948 -1.578 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.428 4.323 -0.336 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.158 3.295 -1.553 1.00 2.23 H new ATOM 0 HG LEU A 73 -17.059 2.473 1.095 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.529 1.873 1.606 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -19.314 3.602 1.245 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.957 2.507 -0.001 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -18.120 0.226 0.825 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.497 0.647 -0.863 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.802 0.535 -0.331 1.00 3.14 H new ATOM 1193 N ARG A 74 -15.637 5.112 -2.419 1.00 2.32 N ATOM 1194 CA ARG A 74 -15.207 5.990 -3.464 1.00 2.55 C ATOM 1195 C ARG A 74 -14.223 6.949 -2.885 1.00 2.58 C ATOM 1196 O ARG A 74 -14.136 6.902 -1.659 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.228 6.867 -4.207 1.00 3.29 C ATOM 1198 CG ARG A 74 -16.830 8.021 -3.402 1.00 4.01 C ATOM 1199 CD ARG A 74 -16.881 9.307 -4.229 1.00 4.67 C ATOM 1200 NE ARG A 74 -17.738 9.101 -5.430 1.00 5.36 N ATOM 1201 CZ ARG A 74 -17.603 9.778 -6.608 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -16.497 10.542 -6.840 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -18.549 9.573 -7.571 1.00 6.80 N ATOM 0 H ARG A 74 -15.832 5.591 -1.540 1.00 2.32 H new ATOM 0 HA ARG A 74 -14.848 5.283 -4.212 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -15.746 7.280 -5.093 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -17.041 6.229 -4.555 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -17.836 7.755 -3.077 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.238 8.188 -2.502 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -17.276 10.123 -3.625 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -15.875 9.594 -4.534 1.00 4.67 H new ATOM 0 HE ARG A 74 -18.480 8.403 -5.368 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -15.766 10.609 -6.132 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -16.401 11.046 -7.722 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -19.323 8.932 -7.397 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -18.482 10.061 -8.464 1.00 6.80 H new ATOM 1217 N GLY A 75 -13.532 7.800 -3.665 1.00 2.73 N ATOM 1218 CA GLY A 75 -12.458 8.583 -3.138 1.00 3.22 C ATOM 1219 C GLY A 75 -12.893 9.914 -2.629 1.00 3.16 C ATOM 1220 O GLY A 75 -14.089 10.137 -2.445 1.00 3.57 O ATOM 0 H GLY A 75 -13.716 7.945 -4.658 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -11.978 8.032 -2.329 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -11.707 8.727 -3.915 1.00 3.22 H new ATOM 1224 N GLY A 76 -11.961 10.830 -2.309 1.00 3.14 N ATOM 1225 CA GLY A 76 -12.199 12.132 -1.766 1.00 3.37 C ATOM 1226 C GLY A 76 -11.386 12.241 -0.484 1.00 3.48 C ATOM 1227 O GLY A 76 -12.033 12.072 0.585 1.00 3.87 O ATOM 1228 OXT GLY A 76 -10.174 12.556 -0.618 1.00 3.70 O ATOM 0 H GLY A 76 -10.967 10.645 -2.440 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -11.903 12.905 -2.476 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -13.260 12.276 -1.562 1.00 3.37 H new TER 1232 GLY A 76