USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 55 THR OG1 : rot -36:sc= 2.11 USER MOD Set 1.2: A 57 SER OG : rot -39:sc= 1.3 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.293 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.569 K(o=0.86,f=-5.9!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 171:sc= 1.32 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 151:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.585) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.49 (180deg=2.37) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 1.31 (180deg=1.13) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.77 (180deg=1.44) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0.392 (180deg=0.373) USER MOD Single : A 31 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.563 K(o=-0.56,f=-2!) USER MOD Single : A 41 GLN : amide:sc= 0.785 K(o=0.79,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00631) USER MOD Single : A 49 GLN : amide:sc= -0.433 K(o=-0.43,f=-2.1!) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.485 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.732 K(o=0.73,f=-5.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.424 -7.308 -5.193 1.00 9.67 N ATOM 2 CA MET A 1 11.548 -7.565 -3.749 1.00 10.38 C ATOM 3 C MET A 1 10.167 -7.697 -3.171 1.00 9.62 C ATOM 4 O MET A 1 9.170 -7.278 -3.744 1.00 9.62 O ATOM 5 CB MET A 1 12.328 -6.447 -2.977 1.00 13.77 C ATOM 6 CG MET A 1 11.596 -5.068 -2.736 1.00 16.29 C ATOM 7 SD MET A 1 12.595 -3.917 -1.785 1.00 17.17 S ATOM 8 CE MET A 1 11.354 -2.606 -1.447 1.00 16.11 C ATOM 0 H1 MET A 1 12.365 -7.348 -5.635 1.00 9.67 H new ATOM 0 H2 MET A 1 10.809 -8.028 -5.622 1.00 9.67 H new ATOM 0 H3 MET A 1 11.011 -6.366 -5.344 1.00 9.67 H new ATOM 0 HA MET A 1 12.126 -8.481 -3.630 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.613 -6.849 -2.005 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.250 -6.245 -3.522 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.347 -4.619 -3.698 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.656 -5.246 -2.214 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.865 -1.665 -1.242 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.707 -2.485 -2.316 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.753 -2.888 -0.583 1.00 16.11 H new ATOM 20 N GLN A 2 10.044 -8.257 -1.955 1.00 9.27 N ATOM 21 CA GLN A 2 8.801 -8.775 -1.378 1.00 9.07 C ATOM 22 C GLN A 2 8.342 -7.809 -0.260 1.00 8.72 C ATOM 23 O GLN A 2 9.143 -7.360 0.550 1.00 8.22 O ATOM 24 CB GLN A 2 8.982 -10.218 -0.846 1.00 14.46 C ATOM 25 CG GLN A 2 7.698 -10.860 -0.212 1.00 17.01 C ATOM 26 CD GLN A 2 7.922 -12.392 -0.048 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.596 -12.802 0.892 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.415 -13.153 -1.064 1.00 19.49 N ATOM 0 H GLN A 2 10.841 -8.363 -1.327 1.00 9.27 H new ATOM 0 HA GLN A 2 8.033 -8.828 -2.150 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.319 -10.852 -1.667 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.775 -10.216 -0.098 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.489 -10.405 0.756 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.832 -10.672 -0.846 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.864 -12.716 -1.803 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.588 -14.158 -1.083 1.00 19.49 H new ATOM 37 N ILE A 3 6.980 -7.595 -0.170 1.00 5.87 N ATOM 38 CA ILE A 3 6.436 -6.765 0.904 1.00 5.07 C ATOM 39 C ILE A 3 5.108 -7.498 1.265 1.00 4.01 C ATOM 40 O ILE A 3 4.604 -8.311 0.487 1.00 4.61 O ATOM 41 CB ILE A 3 6.075 -5.336 0.488 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.130 -5.247 -0.711 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.378 -4.535 0.209 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.455 -3.888 -0.811 1.00 10.83 C ATOM 0 H ILE A 3 6.288 -7.980 -0.813 1.00 5.87 H new ATOM 0 HA ILE A 3 7.172 -6.657 1.701 1.00 5.07 H new ATOM 0 HB ILE A 3 5.525 -4.902 1.323 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.688 -5.442 -1.627 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.369 -6.024 -0.630 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.123 -3.517 -0.087 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.989 -4.508 1.111 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.937 -5.017 -0.593 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.794 -3.873 -1.677 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.874 -3.703 0.092 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.213 -3.112 -0.920 1.00 10.83 H new ATOM 56 N PHE A 4 4.591 -7.224 2.503 1.00 4.55 N ATOM 57 CA PHE A 4 3.376 -7.807 3.052 1.00 4.68 C ATOM 58 C PHE A 4 2.334 -6.695 3.321 1.00 5.30 C ATOM 59 O PHE A 4 2.648 -5.724 3.990 1.00 5.58 O ATOM 60 CB PHE A 4 3.622 -8.619 4.320 1.00 4.83 C ATOM 61 CG PHE A 4 4.842 -9.458 4.128 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.698 -10.546 3.266 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.096 -9.278 4.806 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.779 -11.400 2.930 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.198 -10.081 4.487 1.00 10.61 C ATOM 66 CZ PHE A 4 7.006 -11.134 3.562 1.00 8.90 C ATOM 0 H PHE A 4 5.039 -6.570 3.145 1.00 4.55 H new ATOM 0 HA PHE A 4 2.993 -8.504 2.307 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.752 -7.954 5.174 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.760 -9.251 4.536 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.726 -10.745 2.839 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.189 -8.518 5.567 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.666 -12.211 2.226 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.165 -9.902 4.934 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.848 -11.768 3.329 1.00 8.90 H new ATOM 76 N VAL A 5 1.154 -6.736 2.695 1.00 4.44 N ATOM 77 CA VAL A 5 0.079 -5.725 2.956 1.00 3.87 C ATOM 78 C VAL A 5 -0.972 -6.332 3.855 1.00 4.93 C ATOM 79 O VAL A 5 -1.457 -7.422 3.560 1.00 6.84 O ATOM 80 CB VAL A 5 -0.466 -5.139 1.668 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.328 -3.956 2.041 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.715 -4.725 0.744 1.00 9.13 C ATOM 0 H VAL A 5 0.903 -7.445 2.006 1.00 4.44 H new ATOM 0 HA VAL A 5 0.498 -4.870 3.487 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.066 -5.864 1.118 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.739 -3.506 1.137 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.143 -4.288 2.684 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.725 -3.219 2.571 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.322 -4.304 -0.182 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.329 -3.980 1.250 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.322 -5.601 0.515 1.00 9.13 H new ATOM 92 N LYS A 6 -1.253 -5.630 4.946 1.00 6.04 N ATOM 93 CA LYS A 6 -2.087 -6.218 5.936 1.00 6.12 C ATOM 94 C LYS A 6 -3.491 -5.490 5.830 1.00 6.57 C ATOM 95 O LYS A 6 -3.603 -4.288 6.047 1.00 5.76 O ATOM 96 CB LYS A 6 -1.495 -5.957 7.297 1.00 7.45 C ATOM 97 CG LYS A 6 -2.272 -6.800 8.342 1.00 11.12 C ATOM 98 CD LYS A 6 -1.995 -8.375 8.391 1.00 14.54 C ATOM 99 CE LYS A 6 -0.599 -8.674 8.892 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.528 -10.123 9.201 1.00 20.55 N ATOM 0 H LYS A 6 -0.920 -4.687 5.147 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.183 -7.294 5.792 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.438 -6.222 7.307 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.560 -4.897 7.541 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.055 -6.392 9.329 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.337 -6.654 8.164 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.727 -8.855 9.041 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.125 -8.800 7.396 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.142 -8.407 8.139 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.377 -8.083 9.780 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.458 -10.387 9.402 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.118 -10.330 10.032 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.874 -10.669 8.386 1.00 20.55 H new ATOM 114 N THR A 7 -4.541 -6.227 5.527 1.00 7.41 N ATOM 115 CA THR A 7 -5.886 -5.692 5.440 1.00 7.48 C ATOM 116 C THR A 7 -6.767 -5.810 6.731 1.00 8.75 C ATOM 117 O THR A 7 -6.271 -6.183 7.779 1.00 8.58 O ATOM 118 CB THR A 7 -6.691 -6.049 4.164 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.323 -7.304 4.334 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.673 -6.128 3.024 1.00 9.17 C ATOM 0 H THR A 7 -4.484 -7.227 5.332 1.00 7.41 H new ATOM 0 HA THR A 7 -5.645 -4.633 5.345 1.00 7.48 H new ATOM 0 HB THR A 7 -7.463 -5.308 3.957 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.832 -7.526 3.527 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.186 -6.378 2.095 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.173 -5.165 2.915 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.934 -6.897 3.249 1.00 9.17 H new ATOM 128 N LEU A 8 -8.081 -5.371 6.688 1.00 9.84 N ATOM 129 CA LEU A 8 -8.939 -4.916 7.757 1.00 14.15 C ATOM 130 C LEU A 8 -9.224 -5.984 8.832 1.00 17.37 C ATOM 131 O LEU A 8 -9.345 -5.728 10.068 1.00 17.01 O ATOM 132 CB LEU A 8 -10.297 -4.452 7.131 1.00 16.63 C ATOM 133 CG LEU A 8 -10.192 -3.121 6.242 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.885 -1.930 7.081 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.350 -3.179 4.931 1.00 18.59 C ATOM 0 H LEU A 8 -8.575 -5.340 5.796 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.416 -4.104 8.262 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.693 -5.258 6.513 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.015 -4.283 7.934 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.197 -3.022 5.833 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.821 -1.045 6.447 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.675 -1.791 7.819 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.934 -2.080 7.592 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.373 -2.206 4.440 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.319 -3.440 5.172 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.768 -3.932 4.263 1.00 18.59 H new ATOM 147 N THR A 9 -9.243 -7.265 8.354 1.00 18.33 N ATOM 148 CA THR A 9 -9.423 -8.480 9.148 1.00 19.24 C ATOM 149 C THR A 9 -8.137 -9.223 9.480 1.00 19.48 C ATOM 150 O THR A 9 -8.155 -10.329 10.008 1.00 23.14 O ATOM 151 CB THR A 9 -10.229 -9.455 8.282 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.566 -9.712 7.020 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.561 -8.838 7.985 1.00 19.70 C ATOM 0 H THR A 9 -9.127 -7.467 7.361 1.00 18.33 H new ATOM 0 HA THR A 9 -9.888 -8.171 10.084 1.00 19.24 H new ATOM 0 HB THR A 9 -10.330 -10.394 8.826 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.102 -10.338 6.490 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.148 -9.519 7.369 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.089 -8.646 8.919 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.416 -7.899 7.451 1.00 19.70 H new ATOM 161 N GLY A 10 -6.920 -8.661 9.172 1.00 19.43 N ATOM 162 CA GLY A 10 -5.662 -9.321 9.478 1.00 18.74 C ATOM 163 C GLY A 10 -5.275 -10.213 8.384 1.00 17.62 C ATOM 164 O GLY A 10 -4.302 -10.932 8.559 1.00 19.74 O ATOM 0 H GLY A 10 -6.815 -7.756 8.714 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.883 -8.576 9.641 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.758 -9.890 10.403 1.00 18.74 H new ATOM 168 N LYS A 11 -5.998 -10.194 7.249 1.00 13.56 N ATOM 169 CA LYS A 11 -5.531 -10.779 5.982 1.00 11.91 C ATOM 170 C LYS A 11 -4.214 -10.191 5.399 1.00 10.18 C ATOM 171 O LYS A 11 -3.986 -8.986 5.360 1.00 9.10 O ATOM 172 CB LYS A 11 -6.652 -10.723 4.907 1.00 13.43 C ATOM 173 CG LYS A 11 -6.363 -11.709 3.785 1.00 16.69 C ATOM 174 CD LYS A 11 -7.422 -11.554 2.682 1.00 17.92 C ATOM 175 CE LYS A 11 -7.195 -12.534 1.529 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.212 -12.292 0.491 1.00 21.93 N ATOM 0 H LYS A 11 -6.924 -9.771 7.186 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.287 -11.809 6.243 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.614 -10.955 5.364 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.726 -9.714 4.502 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.368 -11.530 3.377 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.371 -12.728 4.171 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.413 -11.716 3.106 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.401 -10.533 2.300 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.195 -12.404 1.115 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.260 -13.561 1.889 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.120 -13.007 -0.258 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.160 -12.353 0.913 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.074 -11.345 0.084 1.00 21.93 H new ATOM 190 N THR A 12 -3.295 -11.044 4.975 1.00 9.63 N ATOM 191 CA THR A 12 -1.908 -10.652 4.670 1.00 9.85 C ATOM 192 C THR A 12 -1.650 -10.975 3.188 1.00 11.66 C ATOM 193 O THR A 12 -1.503 -12.120 2.772 1.00 12.33 O ATOM 194 CB THR A 12 -0.869 -11.376 5.523 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.315 -11.362 6.859 1.00 10.91 O ATOM 196 CG2 THR A 12 0.483 -10.628 5.564 1.00 9.63 C ATOM 0 H THR A 12 -3.481 -12.036 4.829 1.00 9.63 H new ATOM 0 HA THR A 12 -1.804 -9.590 4.891 1.00 9.85 H new ATOM 0 HB THR A 12 -0.743 -12.371 5.095 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.973 -12.153 7.326 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.187 -11.183 6.183 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.880 -10.539 4.553 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.336 -9.633 5.985 1.00 9.63 H new ATOM 204 N ILE A 13 -1.559 -9.863 2.369 1.00 10.42 N ATOM 205 CA ILE A 13 -1.359 -9.976 0.911 1.00 11.84 C ATOM 206 C ILE A 13 0.128 -9.847 0.679 1.00 10.55 C ATOM 207 O ILE A 13 0.808 -9.007 1.311 1.00 11.92 O ATOM 208 CB ILE A 13 -2.139 -8.841 0.148 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.709 -8.823 0.429 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.911 -9.061 -1.379 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.456 -7.590 -0.061 1.00 16.46 C ATOM 0 H ILE A 13 -1.623 -8.903 2.709 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.739 -10.926 0.535 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.754 -7.886 0.505 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.153 -9.703 -0.038 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.868 -8.918 1.503 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.439 -8.290 -1.940 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.845 -9.005 -1.600 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.290 -10.042 -1.666 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.514 -7.685 0.183 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.050 -6.702 0.424 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.339 -7.499 -1.141 1.00 16.46 H new ATOM 223 N THR A 14 0.745 -10.728 -0.174 1.00 9.39 N ATOM 224 CA THR A 14 2.188 -10.727 -0.448 1.00 9.63 C ATOM 225 C THR A 14 2.339 -10.192 -1.855 1.00 11.20 C ATOM 226 O THR A 14 1.718 -10.672 -2.750 1.00 11.63 O ATOM 227 CB THR A 14 2.784 -12.137 -0.365 1.00 10.38 C ATOM 228 OG1 THR A 14 2.611 -12.691 0.919 1.00 16.30 O ATOM 229 CG2 THR A 14 4.279 -12.154 -0.622 1.00 11.66 C ATOM 0 H THR A 14 0.238 -11.452 -0.682 1.00 9.39 H new ATOM 0 HA THR A 14 2.716 -10.121 0.289 1.00 9.63 H new ATOM 0 HB THR A 14 2.258 -12.709 -1.129 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.999 -13.591 0.942 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.649 -13.177 -0.551 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.481 -11.764 -1.619 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.783 -11.534 0.119 1.00 11.66 H new ATOM 237 N LEU A 15 3.234 -9.166 -2.118 1.00 8.29 N ATOM 238 CA LEU A 15 3.289 -8.561 -3.424 1.00 9.03 C ATOM 239 C LEU A 15 4.753 -8.454 -3.825 1.00 8.59 C ATOM 240 O LEU A 15 5.672 -8.396 -3.029 1.00 7.79 O ATOM 241 CB LEU A 15 2.723 -7.144 -3.448 1.00 11.08 C ATOM 242 CG LEU A 15 1.295 -7.020 -2.968 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.907 -5.552 -2.539 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.299 -7.427 -4.114 1.00 15.27 C ATOM 0 H LEU A 15 3.889 -8.782 -1.438 1.00 8.29 H new ATOM 0 HA LEU A 15 2.696 -9.181 -4.096 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.355 -6.506 -2.831 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.783 -6.762 -4.467 1.00 11.08 H new ATOM 0 HG LEU A 15 1.222 -7.679 -2.102 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.130 -5.533 -2.205 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.556 -5.227 -1.726 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.027 -4.881 -3.389 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.726 -7.333 -3.755 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.445 -6.771 -4.972 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.487 -8.459 -4.410 1.00 15.27 H new ATOM 256 N GLU A 16 5.013 -8.523 -5.133 1.00 11.04 N ATOM 257 CA GLU A 16 6.329 -8.284 -5.700 1.00 11.50 C ATOM 258 C GLU A 16 6.517 -6.853 -6.118 1.00 10.13 C ATOM 259 O GLU A 16 5.658 -6.335 -6.865 1.00 9.83 O ATOM 260 CB GLU A 16 6.480 -9.312 -6.870 1.00 17.22 C ATOM 261 CG GLU A 16 7.736 -9.192 -7.756 1.00 23.33 C ATOM 262 CD GLU A 16 8.897 -9.717 -6.907 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.705 -10.822 -6.310 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.933 -9.024 -6.717 1.00 28.90 O ATOM 0 H GLU A 16 4.303 -8.749 -5.830 1.00 11.04 H new ATOM 0 HA GLU A 16 7.120 -8.435 -4.965 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.462 -10.315 -6.443 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.604 -9.224 -7.512 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.626 -9.774 -8.671 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.906 -8.158 -8.055 1.00 23.33 H new ATOM 271 N VAL A 17 7.471 -6.115 -5.599 1.00 8.99 N ATOM 272 CA VAL A 17 7.578 -4.656 -5.746 1.00 8.85 C ATOM 273 C VAL A 17 9.024 -4.300 -5.933 1.00 8.04 C ATOM 274 O VAL A 17 9.939 -5.097 -5.677 1.00 8.99 O ATOM 275 CB VAL A 17 7.089 -3.861 -4.536 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.592 -3.959 -4.404 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.836 -4.271 -3.247 1.00 10.54 C ATOM 0 H VAL A 17 8.226 -6.514 -5.041 1.00 8.99 H new ATOM 0 HA VAL A 17 6.946 -4.396 -6.595 1.00 8.85 H new ATOM 0 HB VAL A 17 7.325 -2.809 -4.697 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.265 -3.386 -3.536 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.121 -3.559 -5.302 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.305 -5.003 -4.278 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.462 -3.685 -2.408 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.671 -5.331 -3.052 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.903 -4.087 -3.371 1.00 10.54 H new ATOM 287 N GLU A 18 9.299 -3.030 -6.423 1.00 7.29 N ATOM 288 CA GLU A 18 10.651 -2.478 -6.517 1.00 7.08 C ATOM 289 C GLU A 18 10.610 -1.108 -5.785 1.00 6.45 C ATOM 290 O GLU A 18 9.591 -0.460 -5.625 1.00 5.28 O ATOM 291 CB GLU A 18 11.109 -2.255 -7.987 1.00 10.28 C ATOM 292 CG GLU A 18 11.179 -3.560 -8.811 1.00 12.65 C ATOM 293 CD GLU A 18 11.730 -3.360 -10.154 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.108 -2.650 -10.967 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.855 -3.850 -10.454 1.00 14.33 O ATOM 0 H GLU A 18 8.574 -2.392 -6.752 1.00 7.29 H new ATOM 0 HA GLU A 18 11.360 -3.178 -6.074 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.421 -1.563 -8.473 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.091 -1.781 -7.986 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.791 -4.288 -8.278 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.179 -3.985 -8.894 1.00 12.65 H new ATOM 302 N PRO A 19 11.792 -0.642 -5.266 1.00 7.24 N ATOM 303 CA PRO A 19 11.912 0.491 -4.351 1.00 7.07 C ATOM 304 C PRO A 19 11.352 1.816 -4.959 1.00 6.65 C ATOM 305 O PRO A 19 10.916 2.737 -4.282 1.00 6.37 O ATOM 306 CB PRO A 19 13.449 0.520 -4.091 1.00 7.61 C ATOM 307 CG PRO A 19 14.105 -0.291 -5.224 1.00 8.16 C ATOM 308 CD PRO A 19 13.042 -1.406 -5.328 1.00 7.49 C ATOM 0 HA PRO A 19 11.325 0.392 -3.438 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.821 1.545 -4.083 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.685 0.088 -3.119 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.216 0.279 -6.146 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.093 -0.668 -4.961 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.131 -1.969 -6.257 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.122 -2.124 -4.512 1.00 7.49 H new ATOM 316 N SER A 20 11.422 1.885 -6.333 1.00 6.80 N ATOM 317 CA SER A 20 11.034 3.043 -7.008 1.00 6.28 C ATOM 318 C SER A 20 9.633 3.026 -7.459 1.00 8.45 C ATOM 319 O SER A 20 9.116 3.999 -8.107 1.00 7.26 O ATOM 320 CB SER A 20 11.953 3.288 -8.292 1.00 8.57 C ATOM 321 OG SER A 20 13.304 3.389 -7.909 1.00 11.13 O ATOM 0 H SER A 20 11.749 1.128 -6.933 1.00 6.80 H new ATOM 0 HA SER A 20 11.149 3.845 -6.278 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.828 2.468 -9.000 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.643 4.200 -8.802 1.00 8.57 H new ATOM 0 HG SER A 20 13.859 3.537 -8.703 1.00 11.13 H new ATOM 327 N ASP A 21 8.908 1.954 -7.087 1.00 7.50 N ATOM 328 CA ASP A 21 7.482 1.934 -7.390 1.00 7.70 C ATOM 329 C ASP A 21 6.800 2.987 -6.481 1.00 7.08 C ATOM 330 O ASP A 21 7.273 3.237 -5.383 1.00 8.11 O ATOM 331 CB ASP A 21 6.930 0.536 -7.105 1.00 11.00 C ATOM 332 CG ASP A 21 7.400 -0.520 -8.079 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.926 -0.156 -9.185 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.230 -1.746 -7.818 1.00 18.03 O ATOM 0 H ASP A 21 9.271 1.134 -6.601 1.00 7.50 H new ATOM 0 HA ASP A 21 7.293 2.169 -8.437 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.220 0.241 -6.097 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.841 0.575 -7.125 1.00 11.00 H new ATOM 339 N THR A 22 5.695 3.619 -6.851 1.00 5.37 N ATOM 340 CA THR A 22 4.835 4.443 -6.042 1.00 6.01 C ATOM 341 C THR A 22 3.803 3.683 -5.170 1.00 8.01 C ATOM 342 O THR A 22 3.516 2.561 -5.441 1.00 8.11 O ATOM 343 CB THR A 22 4.043 5.549 -6.761 1.00 8.92 C ATOM 344 OG1 THR A 22 3.052 5.072 -7.599 1.00 10.22 O ATOM 345 CG2 THR A 22 5.072 6.254 -7.674 1.00 9.65 C ATOM 0 H THR A 22 5.356 3.557 -7.811 1.00 5.37 H new ATOM 0 HA THR A 22 5.608 4.899 -5.423 1.00 6.01 H new ATOM 0 HB THR A 22 3.565 6.176 -6.009 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.589 5.826 -8.021 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.581 7.058 -8.222 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.876 6.668 -7.065 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.486 5.534 -8.380 1.00 9.65 H new ATOM 353 N ILE A 23 3.220 4.409 -4.149 1.00 8.32 N ATOM 354 CA ILE A 23 2.082 3.989 -3.398 1.00 9.92 C ATOM 355 C ILE A 23 0.930 3.668 -4.364 1.00 10.01 C ATOM 356 O ILE A 23 0.307 2.619 -4.216 1.00 8.71 O ATOM 357 CB ILE A 23 1.701 4.976 -2.283 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.903 5.106 -1.356 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.410 4.565 -1.503 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.557 3.826 -0.833 1.00 12.30 C ATOM 0 H ILE A 23 3.575 5.319 -3.856 1.00 8.32 H new ATOM 0 HA ILE A 23 2.333 3.075 -2.859 1.00 9.92 H new ATOM 0 HB ILE A 23 1.453 5.938 -2.731 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.667 5.679 -1.881 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.596 5.698 -0.494 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.200 5.306 -0.731 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.431 4.512 -2.194 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.560 3.590 -1.039 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.397 4.084 -0.188 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.826 3.250 -0.265 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.915 3.231 -1.673 1.00 12.30 H new ATOM 372 N GLU A 24 0.617 4.512 -5.378 1.00 9.54 N ATOM 373 CA GLU A 24 -0.430 4.191 -6.317 1.00 11.81 C ATOM 374 C GLU A 24 -0.183 3.062 -7.260 1.00 11.14 C ATOM 375 O GLU A 24 -1.138 2.342 -7.683 1.00 10.62 O ATOM 376 CB GLU A 24 -0.756 5.389 -7.197 1.00 19.24 C ATOM 377 CG GLU A 24 -2.090 5.281 -8.017 1.00 27.76 C ATOM 378 CD GLU A 24 -2.675 6.559 -8.564 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.959 7.450 -7.714 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.855 6.837 -9.771 1.00 34.80 O ATOM 0 H GLU A 24 1.082 5.404 -5.546 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.237 3.889 -5.650 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.808 6.277 -6.567 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.068 5.540 -7.895 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.917 4.605 -8.854 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.840 4.813 -7.379 1.00 27.76 H new ATOM 387 N ASN A 25 1.149 2.723 -7.475 1.00 9.43 N ATOM 388 CA ASN A 25 1.556 1.428 -8.060 1.00 10.96 C ATOM 389 C ASN A 25 1.327 0.268 -7.132 1.00 9.68 C ATOM 390 O ASN A 25 0.813 -0.707 -7.629 1.00 9.33 O ATOM 391 CB ASN A 25 3.065 1.290 -8.361 1.00 16.78 C ATOM 392 CG ASN A 25 3.506 2.293 -9.410 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.584 2.892 -9.252 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.747 2.381 -10.532 1.00 24.70 N ATOM 0 H ASN A 25 1.930 3.338 -7.246 1.00 9.43 H new ATOM 0 HA ASN A 25 0.949 1.411 -8.965 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.637 1.441 -7.446 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.279 0.279 -8.707 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.053 2.966 -11.310 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.871 1.862 -10.597 1.00 24.70 H new ATOM 401 N VAL A 26 1.753 0.333 -5.877 1.00 6.52 N ATOM 402 CA VAL A 26 1.440 -0.652 -4.855 1.00 5.53 C ATOM 403 C VAL A 26 -0.046 -0.865 -4.734 1.00 4.42 C ATOM 404 O VAL A 26 -0.450 -2.043 -4.846 1.00 3.40 O ATOM 405 CB VAL A 26 2.123 -0.359 -3.547 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.709 -1.396 -2.436 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.656 -0.299 -3.683 1.00 8.12 C ATOM 0 H VAL A 26 2.341 1.093 -5.535 1.00 6.52 H new ATOM 0 HA VAL A 26 1.855 -1.607 -5.177 1.00 5.53 H new ATOM 0 HB VAL A 26 1.784 0.631 -3.240 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.221 -1.155 -1.504 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.631 -1.351 -2.280 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.988 -2.401 -2.754 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.099 -0.085 -2.711 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.027 -1.257 -4.048 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.928 0.487 -4.387 1.00 8.12 H new ATOM 417 N LYS A 27 -0.914 0.169 -4.749 1.00 2.64 N ATOM 418 CA LYS A 27 -2.371 0.076 -4.751 1.00 4.14 C ATOM 419 C LYS A 27 -2.947 -0.656 -5.930 1.00 5.58 C ATOM 420 O LYS A 27 -3.863 -1.436 -5.754 1.00 4.11 O ATOM 421 CB LYS A 27 -3.147 1.437 -4.594 1.00 3.97 C ATOM 422 CG LYS A 27 -2.789 2.269 -3.318 1.00 7.45 C ATOM 423 CD LYS A 27 -3.421 3.687 -3.378 1.00 9.02 C ATOM 424 CE LYS A 27 -3.408 4.463 -2.059 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.313 5.659 -1.972 1.00 15.47 N ATOM 0 H LYS A 27 -0.590 1.136 -4.761 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.532 -0.508 -3.845 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.952 2.050 -5.474 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.216 1.227 -4.582 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.143 1.747 -2.429 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.706 2.354 -3.228 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.891 4.272 -4.130 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.453 3.593 -3.716 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.675 3.775 -1.257 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.387 4.794 -1.869 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.590 5.813 -0.982 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.813 6.499 -2.326 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.163 5.494 -2.548 1.00 15.47 H new ATOM 439 N ALA A 28 -2.418 -0.430 -7.148 1.00 6.61 N ATOM 440 CA ALA A 28 -2.786 -1.270 -8.280 1.00 7.74 C ATOM 441 C ALA A 28 -2.444 -2.764 -8.168 1.00 9.17 C ATOM 442 O ALA A 28 -3.237 -3.622 -8.532 1.00 11.45 O ATOM 443 CB ALA A 28 -2.242 -0.669 -9.537 1.00 7.68 C ATOM 0 H ALA A 28 -1.751 0.312 -7.361 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.876 -1.278 -8.292 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.515 -1.294 -10.387 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.658 0.329 -9.673 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.156 -0.603 -9.469 1.00 7.68 H new ATOM 449 N LYS A 29 -1.269 -3.109 -7.612 1.00 8.96 N ATOM 450 CA LYS A 29 -0.927 -4.433 -7.241 1.00 7.90 C ATOM 451 C LYS A 29 -1.840 -5.084 -6.206 1.00 6.92 C ATOM 452 O LYS A 29 -2.150 -6.248 -6.264 1.00 6.87 O ATOM 453 CB LYS A 29 0.582 -4.435 -6.752 1.00 10.28 C ATOM 454 CG LYS A 29 1.609 -4.102 -7.827 1.00 14.94 C ATOM 455 CD LYS A 29 2.994 -3.746 -7.243 1.00 19.69 C ATOM 456 CE LYS A 29 4.008 -3.345 -8.383 1.00 22.63 C ATOM 457 NZ LYS A 29 4.530 -4.521 -9.093 1.00 24.98 N ATOM 0 H LYS A 29 -0.532 -2.432 -7.416 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.064 -5.053 -8.127 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.685 -3.717 -5.938 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.814 -5.418 -6.342 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.712 -4.953 -8.501 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.245 -3.265 -8.423 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.893 -2.922 -6.536 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.387 -4.597 -6.686 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.512 -2.683 -9.093 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.837 -2.785 -7.950 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.279 -4.225 -9.751 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.921 -5.196 -8.405 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.761 -4.975 -9.625 1.00 24.98 H new ATOM 471 N ILE A 30 -2.361 -4.322 -5.188 1.00 4.57 N ATOM 472 CA ILE A 30 -3.419 -4.679 -4.277 1.00 5.58 C ATOM 473 C ILE A 30 -4.745 -4.900 -4.982 1.00 7.26 C ATOM 474 O ILE A 30 -5.486 -5.840 -4.656 1.00 9.46 O ATOM 475 CB ILE A 30 -3.585 -3.676 -3.069 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.229 -3.488 -2.319 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.789 -4.089 -2.135 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.294 -2.295 -1.241 1.00 2.00 C ATOM 0 H ILE A 30 -2.004 -3.385 -5.000 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.103 -5.631 -3.849 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.852 -2.693 -3.458 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.962 -4.417 -1.815 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.441 -3.280 -3.043 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.874 -3.377 -1.314 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.714 -4.089 -2.712 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.612 -5.086 -1.733 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.329 -2.201 -0.744 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.534 -1.360 -1.747 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.063 -2.515 -0.501 1.00 2.00 H new ATOM 490 N GLN A 31 -5.055 -4.053 -5.988 1.00 7.06 N ATOM 491 CA GLN A 31 -6.248 -4.053 -6.752 1.00 8.67 C ATOM 492 C GLN A 31 -6.379 -5.351 -7.459 1.00 10.90 C ATOM 493 O GLN A 31 -7.471 -5.931 -7.555 1.00 9.63 O ATOM 494 CB GLN A 31 -6.375 -2.918 -7.703 1.00 9.12 C ATOM 495 CG GLN A 31 -7.772 -2.765 -8.309 1.00 10.76 C ATOM 496 CD GLN A 31 -7.892 -1.381 -9.076 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.896 -0.778 -9.362 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.113 -0.910 -9.460 1.00 14.76 N ATOM 0 H GLN A 31 -4.413 -3.316 -6.280 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.067 -3.917 -6.045 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.111 -1.995 -7.188 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.653 -3.051 -8.509 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.970 -3.588 -8.996 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.525 -2.819 -7.523 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.958 -1.425 -9.215 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.181 -0.042 -9.992 1.00 14.76 H new ATOM 507 N ASP A 32 -5.231 -5.844 -7.953 1.00 10.93 N ATOM 508 CA ASP A 32 -5.181 -6.982 -8.830 1.00 14.01 C ATOM 509 C ASP A 32 -5.469 -8.264 -8.021 1.00 14.04 C ATOM 510 O ASP A 32 -5.719 -9.329 -8.570 1.00 13.39 O ATOM 511 CB ASP A 32 -3.784 -7.037 -9.489 1.00 18.01 C ATOM 512 CG ASP A 32 -3.701 -7.864 -10.751 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.357 -7.517 -11.758 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.944 -8.864 -10.865 1.00 26.29 O ATOM 0 H ASP A 32 -4.315 -5.447 -7.742 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.935 -6.899 -9.613 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.468 -6.019 -9.719 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.074 -7.436 -8.765 1.00 18.01 H new ATOM 519 N LYS A 33 -5.425 -8.214 -6.691 1.00 14.22 N ATOM 520 CA LYS A 33 -5.798 -9.294 -5.768 1.00 14.00 C ATOM 521 C LYS A 33 -7.164 -9.030 -5.284 1.00 12.37 C ATOM 522 O LYS A 33 -8.097 -9.799 -5.565 1.00 12.17 O ATOM 523 CB LYS A 33 -4.864 -9.297 -4.555 1.00 18.62 C ATOM 524 CG LYS A 33 -3.371 -9.364 -4.878 1.00 24.00 C ATOM 525 CD LYS A 33 -2.810 -10.773 -5.229 1.00 27.61 C ATOM 526 CE LYS A 33 -1.388 -10.670 -5.824 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.720 -11.963 -6.006 1.00 30.06 N ATOM 0 H LYS A 33 -5.112 -7.377 -6.199 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.732 -10.251 -6.285 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -5.052 -8.396 -3.971 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.120 -10.147 -3.922 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.171 -8.696 -5.716 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.817 -8.977 -4.023 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.789 -11.394 -4.333 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.472 -11.265 -5.942 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.445 -10.164 -6.788 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.777 -10.046 -5.172 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.227 -11.811 -6.408 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.633 -12.441 -5.087 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.280 -12.555 -6.652 1.00 30.06 H new ATOM 541 N GLU A 34 -7.449 -7.911 -4.648 1.00 10.11 N ATOM 542 CA GLU A 34 -8.715 -7.688 -3.863 1.00 10.07 C ATOM 543 C GLU A 34 -9.716 -6.897 -4.493 1.00 9.32 C ATOM 544 O GLU A 34 -10.886 -7.030 -4.163 1.00 11.61 O ATOM 545 CB GLU A 34 -8.410 -7.051 -2.446 1.00 14.77 C ATOM 546 CG GLU A 34 -7.476 -7.917 -1.642 1.00 18.75 C ATOM 547 CD GLU A 34 -8.123 -9.099 -1.017 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.210 -8.941 -0.343 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.477 -10.177 -1.053 1.00 25.19 O ATOM 0 H GLU A 34 -6.824 -7.105 -4.642 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.125 -8.695 -3.777 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.969 -6.063 -2.577 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.343 -6.914 -1.899 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.669 -8.259 -2.290 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.021 -7.310 -0.859 1.00 18.75 H new ATOM 556 N GLY A 35 -9.349 -6.136 -5.537 1.00 7.22 N ATOM 557 CA GLY A 35 -10.299 -5.336 -6.326 1.00 6.29 C ATOM 558 C GLY A 35 -10.723 -4.024 -5.834 1.00 6.93 C ATOM 559 O GLY A 35 -11.446 -3.330 -6.464 1.00 7.41 O ATOM 0 H GLY A 35 -8.384 -6.058 -5.858 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.860 -5.188 -7.313 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.197 -5.938 -6.464 1.00 6.29 H new ATOM 563 N ILE A 36 -10.285 -3.572 -4.660 1.00 5.86 N ATOM 564 CA ILE A 36 -10.594 -2.190 -4.215 1.00 6.07 C ATOM 565 C ILE A 36 -9.871 -1.183 -5.106 1.00 6.36 C ATOM 566 O ILE A 36 -8.670 -1.323 -5.239 1.00 6.18 O ATOM 567 CB ILE A 36 -10.027 -2.083 -2.789 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.466 -3.233 -1.785 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.406 -0.778 -2.172 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.334 -3.464 -0.739 1.00 9.49 C ATOM 0 H ILE A 36 -9.727 -4.118 -4.004 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.664 -1.984 -4.259 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.951 -2.180 -2.931 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.392 -2.957 -1.281 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.664 -4.154 -2.333 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.996 -0.720 -1.164 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.007 0.039 -2.774 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.492 -0.698 -2.128 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.632 -4.253 -0.048 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.419 -3.758 -1.252 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.158 -2.543 -0.184 1.00 9.49 H new ATOM 582 N PRO A 37 -10.514 -0.072 -5.630 1.00 8.65 N ATOM 583 CA PRO A 37 -9.897 0.997 -6.445 1.00 9.18 C ATOM 584 C PRO A 37 -8.921 1.879 -5.666 1.00 9.85 C ATOM 585 O PRO A 37 -9.222 2.133 -4.498 1.00 8.51 O ATOM 586 CB PRO A 37 -11.161 1.780 -6.916 1.00 11.42 C ATOM 587 CG PRO A 37 -12.184 1.624 -5.786 1.00 9.27 C ATOM 588 CD PRO A 37 -11.956 0.172 -5.452 1.00 8.33 C ATOM 0 HA PRO A 37 -9.270 0.618 -7.252 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.929 2.830 -7.093 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.546 1.377 -7.853 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.983 2.285 -4.943 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.204 1.825 -6.112 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.264 -0.045 -4.429 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.543 -0.474 -6.105 1.00 8.33 H new ATOM 596 N PRO A 38 -7.751 2.301 -6.203 1.00 8.71 N ATOM 597 CA PRO A 38 -6.699 3.019 -5.458 1.00 9.08 C ATOM 598 C PRO A 38 -7.114 4.281 -4.701 1.00 9.28 C ATOM 599 O PRO A 38 -6.592 4.615 -3.615 1.00 6.50 O ATOM 600 CB PRO A 38 -5.706 3.378 -6.570 1.00 10.31 C ATOM 601 CG PRO A 38 -5.663 2.110 -7.377 1.00 10.81 C ATOM 602 CD PRO A 38 -7.144 1.646 -7.341 1.00 12.00 C ATOM 0 HA PRO A 38 -6.328 2.389 -4.649 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.047 4.227 -7.163 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.726 3.641 -6.172 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.317 2.287 -8.395 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.994 1.370 -6.937 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.658 1.916 -8.264 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.209 0.562 -7.245 1.00 12.00 H new ATOM 610 N ASP A 39 -8.129 5.013 -5.244 1.00 11.20 N ATOM 611 CA ASP A 39 -8.731 6.168 -4.618 1.00 14.96 C ATOM 612 C ASP A 39 -9.497 5.901 -3.263 1.00 13.99 C ATOM 613 O ASP A 39 -9.475 6.697 -2.312 1.00 13.75 O ATOM 614 CB ASP A 39 -9.641 6.910 -5.665 1.00 24.16 C ATOM 615 CG ASP A 39 -8.776 7.593 -6.694 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.009 8.540 -6.351 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.822 7.210 -7.909 1.00 34.22 O ATOM 0 H ASP A 39 -8.541 4.790 -6.150 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.902 6.805 -4.309 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.308 6.198 -6.151 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.270 7.643 -5.160 1.00 24.16 H new ATOM 622 N GLN A 40 -10.122 4.717 -3.136 1.00 11.60 N ATOM 623 CA GLN A 40 -10.699 4.271 -1.891 1.00 10.76 C ATOM 624 C GLN A 40 -9.635 3.723 -0.977 1.00 8.01 C ATOM 625 O GLN A 40 -9.671 4.031 0.218 1.00 8.96 O ATOM 626 CB GLN A 40 -11.705 3.114 -2.210 1.00 11.14 C ATOM 627 CG GLN A 40 -12.538 2.887 -0.987 1.00 14.85 C ATOM 628 CD GLN A 40 -13.410 1.597 -1.061 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.359 0.741 -0.183 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.192 1.581 -2.132 1.00 18.16 N ATOM 0 H GLN A 40 -10.232 4.055 -3.904 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.191 5.113 -1.404 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.336 3.378 -3.059 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.169 2.205 -2.482 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.884 2.825 -0.117 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.189 3.748 -0.835 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.154 2.348 -2.803 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.832 0.801 -2.285 1.00 18.16 H new ATOM 639 N GLN A 41 -8.546 3.142 -1.407 1.00 6.52 N ATOM 640 CA GLN A 41 -7.498 2.731 -0.532 1.00 3.87 C ATOM 641 C GLN A 41 -6.776 3.892 0.140 1.00 4.79 C ATOM 642 O GLN A 41 -6.699 5.041 -0.418 1.00 6.34 O ATOM 643 CB GLN A 41 -6.475 1.830 -1.292 1.00 4.20 C ATOM 644 CG GLN A 41 -7.022 0.598 -2.045 1.00 3.20 C ATOM 645 CD GLN A 41 -5.873 -0.146 -2.720 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.779 -0.312 -2.150 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.178 -0.695 -3.923 1.00 7.13 N ATOM 0 H GLN A 41 -8.367 2.941 -2.391 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.974 2.160 0.265 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.948 2.456 -2.012 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.736 1.481 -0.571 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.539 -0.065 -1.351 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.753 0.911 -2.791 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.091 -0.525 -4.344 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.494 -1.277 -4.406 1.00 7.13 H new ATOM 656 N ARG A 42 -6.351 3.606 1.369 1.00 5.73 N ATOM 657 CA ARG A 42 -5.399 4.476 2.074 1.00 6.97 C ATOM 658 C ARG A 42 -4.313 3.494 2.504 1.00 7.15 C ATOM 659 O ARG A 42 -4.584 2.408 2.998 1.00 7.33 O ATOM 660 CB ARG A 42 -6.116 4.924 3.356 1.00 13.23 C ATOM 661 CG ARG A 42 -7.077 6.149 3.267 1.00 21.27 C ATOM 662 CD ARG A 42 -7.678 6.462 4.627 1.00 26.14 C ATOM 663 NE ARG A 42 -8.607 7.514 4.336 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.300 8.340 5.101 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.422 8.194 6.447 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.752 9.482 4.529 1.00 36.39 N ATOM 0 H ARG A 42 -6.646 2.785 1.898 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.035 5.328 1.499 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.689 4.076 3.732 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.355 5.150 4.103 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.533 7.018 2.896 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.873 5.942 2.552 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.175 5.593 5.058 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.918 6.781 5.340 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.765 7.653 3.338 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.965 7.414 6.919 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.971 8.865 6.985 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.553 9.674 3.547 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.291 10.150 5.080 1.00 36.39 H new ATOM 680 N LEU A 43 -3.032 3.856 2.320 1.00 4.65 N ATOM 681 CA LEU A 43 -1.926 2.927 2.569 1.00 3.51 C ATOM 682 C LEU A 43 -1.038 3.403 3.658 1.00 5.56 C ATOM 683 O LEU A 43 -0.652 4.560 3.666 1.00 4.19 O ATOM 684 CB LEU A 43 -1.135 2.510 1.308 1.00 3.74 C ATOM 685 CG LEU A 43 -0.518 1.139 1.291 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.604 0.069 1.133 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.452 0.999 0.151 1.00 6.41 C ATOM 0 H LEU A 43 -2.742 4.781 2.002 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.404 2.007 2.907 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.805 2.587 0.451 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.338 3.238 1.156 1.00 3.74 H new ATOM 0 HG LEU A 43 0.009 1.005 2.236 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.143 -0.919 1.122 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -2.303 0.134 1.967 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.140 0.230 0.197 1.00 9.55 H new ATOM 0 HD21 LEU A 43 0.884 -0.002 0.162 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.070 1.159 -0.792 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.246 1.738 0.256 1.00 6.41 H new ATOM 699 N ILE A 44 -0.709 2.554 4.653 1.00 4.58 N ATOM 700 CA ILE A 44 -0.123 2.931 5.916 1.00 5.55 C ATOM 701 C ILE A 44 1.295 2.289 6.075 1.00 5.46 C ATOM 702 O ILE A 44 1.469 1.083 5.777 1.00 6.04 O ATOM 703 CB ILE A 44 -0.898 2.450 7.064 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.385 2.864 6.869 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.335 2.841 8.492 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.645 4.374 6.993 1.00 13.90 C ATOM 0 H ILE A 44 -0.859 1.548 4.576 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.092 4.021 5.906 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.805 1.364 7.073 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.717 2.530 5.886 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.995 2.341 7.606 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.987 2.433 9.264 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.669 2.433 8.612 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.299 3.926 8.584 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.706 4.574 6.843 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.348 4.714 7.985 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.066 4.906 6.239 1.00 13.90 H new ATOM 718 N PHE A 45 2.321 2.992 6.648 1.00 6.75 N ATOM 719 CA PHE A 45 3.606 2.385 7.068 1.00 4.70 C ATOM 720 C PHE A 45 4.002 3.182 8.295 1.00 6.34 C ATOM 721 O PHE A 45 3.919 4.418 8.351 1.00 5.45 O ATOM 722 CB PHE A 45 4.694 2.453 5.972 1.00 5.51 C ATOM 723 CG PHE A 45 5.847 1.662 6.300 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.817 0.219 6.394 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.998 2.320 6.697 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.956 -0.522 6.788 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.192 1.562 7.019 1.00 6.64 C ATOM 728 CZ PHE A 45 8.129 0.201 7.050 1.00 6.84 C ATOM 0 H PHE A 45 2.270 3.995 6.827 1.00 6.75 H new ATOM 0 HA PHE A 45 3.499 1.319 7.267 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.276 2.108 5.026 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.997 3.490 5.827 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.903 -0.306 6.158 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.007 3.398 6.767 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.924 -1.597 6.883 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.121 2.071 7.232 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.028 -0.349 7.288 1.00 6.84 H new ATOM 738 N ALA A 46 4.544 2.573 9.375 1.00 6.53 N ATOM 739 CA ALA A 46 5.026 3.158 10.616 1.00 7.15 C ATOM 740 C ALA A 46 3.982 4.113 11.215 1.00 9.00 C ATOM 741 O ALA A 46 4.380 5.193 11.602 1.00 11.15 O ATOM 742 CB ALA A 46 6.385 3.747 10.365 1.00 8.99 C ATOM 0 H ALA A 46 4.659 1.560 9.384 1.00 6.53 H new ATOM 0 HA ALA A 46 5.157 2.405 11.393 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.764 4.191 11.285 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.066 2.963 10.033 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.312 4.514 9.594 1.00 8.99 H new ATOM 748 N GLY A 47 2.692 3.750 11.325 1.00 9.35 N ATOM 749 CA GLY A 47 1.757 4.546 12.060 1.00 11.68 C ATOM 750 C GLY A 47 1.268 5.718 11.231 1.00 11.14 C ATOM 751 O GLY A 47 0.360 6.404 11.735 1.00 13.93 O ATOM 0 H GLY A 47 2.296 2.908 10.907 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.909 3.931 12.362 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.226 4.913 12.973 1.00 11.68 H new ATOM 755 N LYS A 48 1.697 5.910 9.935 1.00 10.47 N ATOM 756 CA LYS A 48 1.091 6.962 9.199 1.00 8.82 C ATOM 757 C LYS A 48 0.885 6.559 7.792 1.00 7.68 C ATOM 758 O LYS A 48 1.369 5.516 7.336 1.00 6.47 O ATOM 759 CB LYS A 48 1.845 8.299 9.252 1.00 9.74 C ATOM 760 CG LYS A 48 3.235 8.217 8.669 1.00 14.14 C ATOM 761 CD LYS A 48 4.020 9.560 8.753 1.00 16.32 C ATOM 762 CE LYS A 48 5.438 9.435 8.150 1.00 20.04 C ATOM 763 NZ LYS A 48 5.490 9.031 6.713 1.00 23.92 N ATOM 0 H LYS A 48 2.411 5.367 9.450 1.00 10.47 H new ATOM 0 HA LYS A 48 0.134 7.138 9.690 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.274 9.053 8.711 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.911 8.632 10.288 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.796 7.443 9.193 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.166 7.909 7.626 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.468 10.337 8.225 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.094 9.873 9.794 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.946 10.393 8.259 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.000 8.707 8.735 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.480 9.008 6.394 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.069 8.087 6.602 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.958 9.717 6.140 1.00 23.92 H new ATOM 777 N GLN A 49 -0.036 7.345 7.106 1.00 8.89 N ATOM 778 CA GLN A 49 -0.605 7.211 5.755 1.00 7.18 C ATOM 779 C GLN A 49 0.345 7.732 4.747 1.00 8.23 C ATOM 780 O GLN A 49 1.074 8.727 4.901 1.00 9.70 O ATOM 781 CB GLN A 49 -2.066 7.781 5.673 1.00 11.67 C ATOM 782 CG GLN A 49 -2.820 7.417 4.335 1.00 15.82 C ATOM 783 CD GLN A 49 -4.202 8.121 4.418 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.789 8.014 5.473 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.702 8.714 3.343 1.00 20.67 N ATOM 0 H GLN A 49 -0.421 8.171 7.564 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.733 6.156 5.514 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.641 7.402 6.518 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.029 8.866 5.774 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.259 7.759 3.465 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.937 6.338 4.234 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.150 8.768 2.487 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.639 9.117 3.372 1.00 20.67 H new ATOM 794 N LEU A 50 0.431 7.052 3.635 1.00 6.51 N ATOM 795 CA LEU A 50 1.491 7.263 2.652 1.00 7.41 C ATOM 796 C LEU A 50 0.854 7.853 1.331 1.00 8.27 C ATOM 797 O LEU A 50 -0.277 7.453 0.998 1.00 8.34 O ATOM 798 CB LEU A 50 2.123 5.875 2.216 1.00 7.13 C ATOM 799 CG LEU A 50 2.474 4.897 3.319 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.896 3.531 2.801 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.564 5.453 4.180 1.00 9.11 C ATOM 0 H LEU A 50 -0.234 6.325 3.372 1.00 6.51 H new ATOM 0 HA LEU A 50 2.236 7.922 3.098 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.425 5.384 1.539 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.029 6.081 1.646 1.00 7.13 H new ATOM 0 HG LEU A 50 1.562 4.757 3.900 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.133 2.880 3.643 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.082 3.094 2.222 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.776 3.638 2.166 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.805 4.739 4.968 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.450 5.636 3.572 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.232 6.389 4.628 1.00 9.11 H new ATOM 813 N GLU A 51 1.383 8.913 0.753 1.00 9.43 N ATOM 814 CA GLU A 51 0.775 9.553 -0.435 1.00 11.90 C ATOM 815 C GLU A 51 1.036 8.921 -1.755 1.00 11.49 C ATOM 816 O GLU A 51 2.159 8.508 -2.161 1.00 9.88 O ATOM 817 CB GLU A 51 1.125 11.064 -0.488 1.00 16.56 C ATOM 818 CG GLU A 51 0.638 11.967 0.676 1.00 26.06 C ATOM 819 CD GLU A 51 1.189 13.399 0.650 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.951 14.137 -0.374 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.844 13.789 1.605 1.00 32.13 O ATOM 0 H GLU A 51 2.238 9.364 1.077 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.293 9.400 -0.278 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.210 11.153 -0.548 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.720 11.468 -1.416 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.451 12.011 0.653 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.918 11.501 1.621 1.00 26.06 H new ATOM 828 N ASP A 52 0.000 8.793 -2.560 1.00 12.71 N ATOM 829 CA ASP A 52 -0.112 8.044 -3.744 1.00 16.56 C ATOM 830 C ASP A 52 0.915 8.174 -4.856 1.00 15.83 C ATOM 831 O ASP A 52 1.393 7.210 -5.486 1.00 17.21 O ATOM 832 CB ASP A 52 -1.493 8.479 -4.468 1.00 21.05 C ATOM 833 CG ASP A 52 -2.615 8.426 -3.487 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.625 9.330 -2.550 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.545 7.594 -3.558 1.00 28.37 O ATOM 0 H ASP A 52 -0.873 9.279 -2.353 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.001 7.030 -3.359 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.400 9.486 -4.874 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.700 7.815 -5.307 1.00 21.05 H new ATOM 840 N GLY A 53 1.383 9.440 -5.140 1.00 15.00 N ATOM 841 CA GLY A 53 2.419 9.711 -6.160 1.00 11.77 C ATOM 842 C GLY A 53 3.845 9.469 -5.711 1.00 11.10 C ATOM 843 O GLY A 53 4.736 9.665 -6.522 1.00 11.25 O ATOM 0 H GLY A 53 1.047 10.278 -4.666 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.219 9.088 -7.032 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.327 10.749 -6.481 1.00 11.77 H new ATOM 847 N ARG A 54 4.010 9.153 -4.455 1.00 8.53 N ATOM 848 CA ARG A 54 5.339 9.063 -3.870 1.00 9.05 C ATOM 849 C ARG A 54 5.753 7.600 -3.682 1.00 8.96 C ATOM 850 O ARG A 54 4.894 6.734 -3.573 1.00 11.60 O ATOM 851 CB ARG A 54 5.319 9.824 -2.503 1.00 7.97 C ATOM 852 CG ARG A 54 4.870 11.326 -2.432 1.00 9.62 C ATOM 853 CD ARG A 54 5.973 12.294 -2.916 1.00 12.20 C ATOM 854 NE ARG A 54 5.491 13.643 -2.505 1.00 18.23 N ATOM 855 CZ ARG A 54 6.327 14.550 -2.060 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.629 14.507 -2.268 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.859 15.618 -1.373 1.00 23.38 N ATOM 0 H ARG A 54 3.246 8.952 -3.809 1.00 8.53 H new ATOM 0 HA ARG A 54 6.073 9.518 -4.535 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.669 9.262 -1.832 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.326 9.770 -2.090 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.976 11.464 -3.041 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.598 11.573 -1.406 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.935 12.060 -2.460 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.109 12.233 -3.996 1.00 12.20 H new ATOM 0 HE ARG A 54 4.497 13.864 -2.571 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.035 13.738 -2.801 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.229 15.243 -1.896 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.858 15.716 -1.202 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.507 16.325 -1.026 1.00 23.38 H new ATOM 871 N THR A 55 7.095 7.363 -3.704 1.00 9.05 N ATOM 872 CA THR A 55 7.657 6.016 -3.738 1.00 9.03 C ATOM 873 C THR A 55 7.970 5.328 -2.388 1.00 8.15 C ATOM 874 O THR A 55 8.203 5.903 -1.335 1.00 5.91 O ATOM 875 CB THR A 55 8.964 5.988 -4.524 1.00 11.15 C ATOM 876 OG1 THR A 55 10.050 6.678 -3.843 1.00 11.95 O ATOM 877 CG2 THR A 55 8.808 6.649 -5.893 1.00 11.71 C ATOM 0 H THR A 55 7.796 8.104 -3.698 1.00 9.05 H new ATOM 0 HA THR A 55 6.841 5.460 -4.199 1.00 9.03 H new ATOM 0 HB THR A 55 9.208 4.930 -4.624 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.696 7.462 -3.373 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.758 6.611 -6.426 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.048 6.120 -6.468 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.506 7.688 -5.763 1.00 11.71 H new ATOM 885 N LEU A 56 8.212 4.005 -2.510 1.00 6.91 N ATOM 886 CA LEU A 56 8.711 3.156 -1.408 1.00 8.29 C ATOM 887 C LEU A 56 10.092 3.712 -0.868 1.00 8.05 C ATOM 888 O LEU A 56 10.449 3.704 0.348 1.00 10.17 O ATOM 889 CB LEU A 56 8.823 1.620 -1.887 1.00 6.60 C ATOM 890 CG LEU A 56 7.525 0.923 -2.137 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.717 -0.487 -2.664 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.716 0.736 -0.833 1.00 8.64 C ATOM 0 H LEU A 56 8.066 3.494 -3.381 1.00 6.91 H new ATOM 0 HA LEU A 56 8.000 3.188 -0.582 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.415 1.586 -2.802 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.374 1.062 -1.130 1.00 6.60 H new ATOM 0 HG LEU A 56 7.012 1.558 -2.859 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.744 -0.949 -2.829 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.266 -0.452 -3.605 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.279 -1.074 -1.937 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.779 0.226 -1.056 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.295 0.140 -0.128 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.503 1.711 -0.394 1.00 8.64 H new ATOM 904 N SER A 57 10.914 4.304 -1.737 1.00 8.92 N ATOM 905 CA SER A 57 12.147 5.087 -1.469 1.00 9.00 C ATOM 906 C SER A 57 11.962 6.312 -0.560 1.00 9.44 C ATOM 907 O SER A 57 12.721 6.643 0.315 1.00 10.91 O ATOM 908 CB SER A 57 13.018 5.295 -2.633 1.00 10.32 C ATOM 909 OG SER A 57 12.715 6.486 -3.384 1.00 13.59 O ATOM 0 H SER A 57 10.727 4.250 -2.738 1.00 8.92 H new ATOM 0 HA SER A 57 12.733 4.413 -0.844 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.053 5.344 -2.295 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.938 4.431 -3.293 1.00 10.32 H new ATOM 0 HG SER A 57 11.743 6.605 -3.431 1.00 13.59 H new ATOM 915 N ASP A 58 10.873 7.085 -0.769 1.00 9.11 N ATOM 916 CA ASP A 58 10.451 8.272 -0.029 1.00 7.91 C ATOM 917 C ASP A 58 10.091 7.981 1.374 1.00 9.12 C ATOM 918 O ASP A 58 10.341 8.717 2.294 1.00 8.61 O ATOM 919 CB ASP A 58 9.276 9.030 -0.759 1.00 8.41 C ATOM 920 CG ASP A 58 9.773 9.463 -2.103 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.694 10.341 -2.130 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.287 8.962 -3.120 1.00 10.05 O ATOM 0 H ASP A 58 10.221 6.868 -1.523 1.00 9.11 H new ATOM 0 HA ASP A 58 11.320 8.929 -0.005 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.409 8.378 -0.865 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.957 9.893 -0.174 1.00 8.41 H new ATOM 927 N TYR A 59 9.580 6.773 1.652 1.00 7.97 N ATOM 928 CA TYR A 59 9.086 6.338 2.944 1.00 8.45 C ATOM 929 C TYR A 59 10.099 5.301 3.568 1.00 10.98 C ATOM 930 O TYR A 59 9.955 4.796 4.683 1.00 12.95 O ATOM 931 CB TYR A 59 7.679 5.694 2.769 1.00 7.94 C ATOM 932 CG TYR A 59 6.730 6.810 2.374 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.402 7.917 3.173 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.058 6.631 1.146 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.541 8.900 2.646 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.289 7.693 0.605 1.00 6.52 C ATOM 937 CZ TYR A 59 5.037 8.807 1.355 1.00 6.76 C ATOM 938 OH TYR A 59 4.177 9.799 0.834 1.00 7.63 O ATOM 0 H TYR A 59 9.501 6.046 0.941 1.00 7.97 H new ATOM 0 HA TYR A 59 8.999 7.191 3.617 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.702 4.918 2.004 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.353 5.220 3.695 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.802 8.013 4.172 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.129 5.690 0.621 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.267 9.745 3.260 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.902 7.621 -0.401 1.00 6.52 H new ATOM 0 HH TYR A 59 4.707 10.569 0.539 1.00 7.63 H new ATOM 948 N ASN A 60 11.195 4.872 2.859 1.00 12.38 N ATOM 949 CA ASN A 60 12.241 4.008 3.359 1.00 13.94 C ATOM 950 C ASN A 60 11.804 2.575 3.682 1.00 14.16 C ATOM 951 O ASN A 60 12.139 2.043 4.715 1.00 14.26 O ATOM 952 CB ASN A 60 13.123 4.621 4.454 1.00 19.23 C ATOM 953 CG ASN A 60 13.581 6.033 4.161 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.140 7.013 4.757 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.416 6.203 3.063 1.00 24.09 N ATOM 0 H ASN A 60 11.349 5.148 1.889 1.00 12.38 H new ATOM 0 HA ASN A 60 12.892 3.915 2.490 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.571 4.617 5.394 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.999 3.989 4.596 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.663 7.142 2.751 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.781 5.389 2.569 1.00 24.09 H new ATOM 962 N ILE A 61 11.134 1.997 2.721 1.00 11.08 N ATOM 963 CA ILE A 61 10.514 0.702 2.881 1.00 11.78 C ATOM 964 C ILE A 61 11.396 -0.352 2.195 1.00 13.74 C ATOM 965 O ILE A 61 11.556 -0.427 0.975 1.00 14.60 O ATOM 966 CB ILE A 61 9.107 0.525 2.337 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.232 1.490 3.238 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.659 -0.905 2.291 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.779 1.640 2.608 1.00 11.42 C ATOM 0 H ILE A 61 11.000 2.411 1.798 1.00 11.08 H new ATOM 0 HA ILE A 61 10.423 0.591 3.962 1.00 11.78 H new ATOM 0 HB ILE A 61 9.019 0.793 1.284 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.161 1.093 4.251 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.710 2.467 3.312 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.646 -0.956 1.892 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.331 -1.476 1.650 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.674 -1.324 3.297 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.179 2.304 3.230 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.859 2.057 1.604 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.302 0.661 2.557 1.00 11.42 H new ATOM 981 N GLN A 62 12.209 -1.072 3.037 1.00 13.97 N ATOM 982 CA GLN A 62 13.195 -1.958 2.509 1.00 15.52 C ATOM 983 C GLN A 62 12.650 -3.295 2.625 1.00 13.94 C ATOM 984 O GLN A 62 11.777 -3.517 3.478 1.00 12.15 O ATOM 985 CB GLN A 62 14.530 -1.779 3.284 1.00 19.53 C ATOM 986 CG GLN A 62 15.703 -2.745 2.951 1.00 26.38 C ATOM 987 CD GLN A 62 16.194 -2.806 1.469 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.504 -3.237 0.533 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.464 -2.438 1.301 1.00 32.71 N ATOM 0 H GLN A 62 12.170 -1.029 4.055 1.00 13.97 H new ATOM 0 HA GLN A 62 13.424 -1.752 1.464 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.879 -0.760 3.117 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.313 -1.871 4.348 1.00 19.53 H new ATOM 0 HG2 GLN A 62 16.553 -2.468 3.575 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.404 -3.751 3.247 1.00 26.38 H new ATOM 0 HE21 GLN A 62 18.003 -2.088 2.093 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.897 -2.507 0.380 1.00 32.71 H new ATOM 998 N LYS A 63 13.151 -4.272 1.793 1.00 11.73 N ATOM 999 CA LYS A 63 12.665 -5.632 1.686 1.00 11.97 C ATOM 1000 C LYS A 63 12.085 -6.382 2.873 1.00 10.41 C ATOM 1001 O LYS A 63 12.616 -6.344 3.955 1.00 9.59 O ATOM 1002 CB LYS A 63 13.694 -6.491 0.842 1.00 13.73 C ATOM 1003 CG LYS A 63 14.976 -6.904 1.633 1.00 16.98 C ATOM 1004 CD LYS A 63 16.229 -6.856 0.760 1.00 20.19 C ATOM 1005 CE LYS A 63 15.983 -7.593 -0.564 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.253 -7.708 -1.290 1.00 25.97 N ATOM 0 H LYS A 63 13.936 -4.091 1.167 1.00 11.73 H new ATOM 0 HA LYS A 63 11.713 -5.479 1.177 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.194 -7.391 0.486 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.991 -5.921 -0.039 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.104 -6.240 2.488 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.849 -7.912 2.029 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.503 -5.820 0.562 1.00 20.19 H new ATOM 0 HD3 LYS A 63 17.066 -7.312 1.288 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.568 -8.583 -0.373 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.253 -7.052 -1.166 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.095 -8.207 -2.189 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.630 -6.758 -1.482 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.935 -8.241 -0.714 1.00 25.97 H new ATOM 1020 N GLU A 64 10.914 -7.056 2.668 1.00 10.04 N ATOM 1021 CA GLU A 64 10.296 -7.974 3.632 1.00 10.94 C ATOM 1022 C GLU A 64 9.870 -7.269 4.928 1.00 9.74 C ATOM 1023 O GLU A 64 10.274 -7.582 6.055 1.00 9.42 O ATOM 1024 CB GLU A 64 11.228 -9.238 3.935 1.00 18.31 C ATOM 1025 CG GLU A 64 11.054 -10.393 3.018 1.00 24.16 C ATOM 1026 CD GLU A 64 11.864 -11.632 3.426 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.629 -12.109 4.570 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.646 -12.121 2.621 1.00 31.72 O ATOM 0 H GLU A 64 10.376 -6.964 1.807 1.00 10.04 H new ATOM 0 HA GLU A 64 9.385 -8.343 3.160 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.269 -8.918 3.895 1.00 18.31 H new ATOM 0 HB3 GLU A 64 11.036 -9.573 4.954 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.997 -10.658 2.978 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.346 -10.094 2.011 1.00 24.16 H new ATOM 1035 N SER A 65 9.015 -6.249 4.776 1.00 6.85 N ATOM 1036 CA SER A 65 8.244 -5.556 5.815 1.00 6.90 C ATOM 1037 C SER A 65 6.722 -5.586 5.590 1.00 4.72 C ATOM 1038 O SER A 65 6.192 -5.940 4.554 1.00 3.91 O ATOM 1039 CB SER A 65 8.568 -4.062 5.963 1.00 7.28 C ATOM 1040 OG SER A 65 8.507 -3.655 7.279 1.00 10.56 O ATOM 0 H SER A 65 8.831 -5.857 3.852 1.00 6.85 H new ATOM 0 HA SER A 65 8.540 -6.118 6.701 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.564 -3.865 5.567 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.867 -3.477 5.368 1.00 7.28 H new ATOM 0 HG SER A 65 8.720 -2.700 7.336 1.00 10.56 H new ATOM 1046 N THR A 66 5.935 -5.251 6.680 1.00 4.48 N ATOM 1047 CA THR A 66 4.452 -5.241 6.738 1.00 3.80 C ATOM 1048 C THR A 66 3.874 -3.867 6.688 1.00 4.60 C ATOM 1049 O THR A 66 4.074 -3.121 7.635 1.00 5.33 O ATOM 1050 CB THR A 66 3.812 -6.003 7.929 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.327 -7.324 7.902 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.286 -6.192 7.714 1.00 3.40 C ATOM 0 H THR A 66 6.352 -4.972 7.568 1.00 4.48 H new ATOM 0 HA THR A 66 4.193 -5.792 5.834 1.00 3.80 H new ATOM 0 HB THR A 66 4.017 -5.447 8.844 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.946 -7.839 8.644 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.863 -6.729 8.563 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.807 -5.217 7.626 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.115 -6.764 6.802 1.00 3.40 H new ATOM 1060 N LEU A 67 3.070 -3.526 5.655 1.00 4.17 N ATOM 1061 CA LEU A 67 2.426 -2.192 5.437 1.00 3.85 C ATOM 1062 C LEU A 67 0.929 -2.524 5.637 1.00 3.80 C ATOM 1063 O LEU A 67 0.549 -3.705 5.473 1.00 5.54 O ATOM 1064 CB LEU A 67 2.518 -1.714 4.016 1.00 7.18 C ATOM 1065 CG LEU A 67 3.886 -1.239 3.454 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.880 -2.396 3.425 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.811 -0.644 2.022 1.00 11.66 C ATOM 0 H LEU A 67 2.838 -4.191 4.918 1.00 4.17 H new ATOM 0 HA LEU A 67 2.882 -1.439 6.079 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.166 -2.523 3.376 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.815 -0.889 3.903 1.00 7.18 H new ATOM 0 HG LEU A 67 4.209 -0.446 4.129 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.833 -2.047 3.029 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.025 -2.777 4.436 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.493 -3.192 2.789 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.807 -0.336 1.703 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.426 -1.397 1.335 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.147 0.220 2.021 1.00 11.66 H new ATOM 1079 N HIS A 68 0.160 -1.553 6.133 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.255 -1.797 6.433 1.00 4.17 C ATOM 1081 C HIS A 68 -2.041 -1.065 5.481 1.00 5.32 C ATOM 1082 O HIS A 68 -1.594 -0.041 4.979 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.627 -1.266 7.894 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.231 -2.235 8.959 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.078 -2.379 9.422 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.008 -3.098 9.660 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.018 -3.246 10.427 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.236 -3.712 10.605 1.00 16.30 N ATOM 0 H HIS A 68 0.484 -0.607 6.333 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.451 -2.868 6.384 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.131 -0.311 8.070 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.700 -1.083 7.951 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.062 -3.271 9.498 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.823 -3.539 11.038 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.540 -4.390 11.303 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.247 -1.635 5.174 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.228 -1.080 4.258 1.00 3.97 C ATOM 1098 C LEU A 69 -5.416 -0.746 5.068 1.00 5.07 C ATOM 1099 O LEU A 69 -5.864 -1.584 5.843 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.678 -2.114 3.182 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.853 -1.729 2.243 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.725 -0.404 1.512 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.130 -2.883 1.345 1.00 9.96 C ATOM 0 H LEU A 69 -3.548 -2.520 5.583 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.791 -0.223 3.746 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.814 -2.343 2.558 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.952 -3.034 3.698 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.717 -1.530 2.876 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.605 -0.246 0.888 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.644 0.405 2.237 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.834 -0.419 0.885 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.953 -2.634 0.676 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.240 -3.108 0.757 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.400 -3.753 1.943 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.983 0.446 4.837 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.282 0.785 5.425 1.00 6.26 C ATOM 1117 C VAL A 70 -8.045 1.555 4.344 1.00 9.22 C ATOM 1118 O VAL A 70 -7.537 1.820 3.283 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.194 1.594 6.731 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.583 0.692 7.810 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.484 2.927 6.603 1.00 8.54 C ATOM 0 H VAL A 70 -5.571 1.178 4.258 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.793 -0.131 5.722 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.204 1.887 7.017 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.510 1.244 8.747 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.216 -0.184 7.953 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.588 0.374 7.498 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.470 3.426 7.572 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.461 2.763 6.264 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.010 3.551 5.881 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.339 1.837 4.504 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.192 2.426 3.470 1.00 16.06 C ATOM 1133 C LEU A 71 -10.672 3.851 3.784 1.00 18.09 C ATOM 1134 O LEU A 71 -10.978 4.201 4.950 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.340 1.424 3.168 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.870 0.076 2.573 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.074 -0.892 2.411 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.032 0.283 1.265 1.00 19.57 C ATOM 0 H LEU A 71 -9.835 1.658 5.377 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.601 2.577 2.567 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.888 1.229 4.090 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.039 1.890 2.474 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.184 -0.403 3.271 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.728 -1.836 1.991 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.529 -1.073 3.385 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.811 -0.447 1.743 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.719 -0.686 0.876 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.641 0.794 0.519 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.152 0.885 1.488 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.669 4.691 2.764 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.158 6.006 2.722 1.00 25.83 C ATOM 1152 C ARG A 72 -12.395 6.269 3.459 1.00 27.74 C ATOM 1153 O ARG A 72 -13.359 5.460 3.414 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.217 6.510 1.271 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.588 7.991 1.099 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.458 8.406 -0.396 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.994 9.819 -0.535 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.641 10.526 -1.578 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.465 9.951 -2.794 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.548 11.850 -1.558 1.00 35.02 N ATOM 0 H ARG A 72 -10.277 4.413 1.864 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.428 6.591 3.282 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.246 6.341 0.806 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.941 5.906 0.724 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.608 8.161 1.444 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.936 8.611 1.714 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.417 8.359 -0.716 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.018 7.721 -1.032 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.618 10.210 0.171 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.608 8.948 -2.909 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.190 10.522 -3.593 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.756 12.363 -0.701 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.268 12.354 -2.399 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.431 7.423 4.189 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.528 7.852 5.064 1.00 30.76 C ATOM 1176 C LEU A 73 -13.767 9.265 4.526 1.00 32.18 C ATOM 1177 O LEU A 73 -12.816 9.946 4.172 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.132 7.865 6.544 1.00 30.53 C ATOM 1179 CG LEU A 73 -12.820 6.421 7.034 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -12.163 6.382 8.446 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.048 5.467 7.163 1.00 29.11 C ATOM 0 H LEU A 73 -11.662 8.093 4.173 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.399 7.197 5.045 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.259 8.501 6.688 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.939 8.292 7.139 1.00 30.53 H new ATOM 0 HG LEU A 73 -12.155 6.078 6.241 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -11.971 5.347 8.729 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -11.223 6.933 8.425 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -12.835 6.838 9.173 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -13.714 4.490 7.511 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -14.759 5.883 7.877 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.530 5.361 6.191 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.042 9.734 4.518 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.469 11.013 4.012 1.00 35.33 C ATOM 1195 C ARG A 74 -15.255 12.085 5.128 1.00 36.22 C ATOM 1196 O ARG A 74 -14.781 13.188 4.852 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.983 11.002 3.519 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.208 10.031 2.342 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.491 10.528 1.026 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.766 9.453 0.028 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.167 9.365 -1.158 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.210 10.139 -1.662 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.775 8.452 -1.936 1.00 41.93 N ATOM 0 H ARG A 74 -15.818 9.185 4.888 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.869 11.255 3.135 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.631 10.720 4.349 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.272 12.009 3.217 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.833 9.043 2.609 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.277 9.927 2.156 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.887 11.488 0.696 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.421 10.661 1.182 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.456 8.741 0.269 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.845 10.920 -1.116 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.841 9.952 -2.594 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.583 7.939 -1.584 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.428 8.272 -2.878 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.491 11.700 6.404 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.334 12.592 7.620 1.00 36.07 C ATOM 1219 C GLY A 75 -13.973 12.898 8.049 1.00 36.16 C ATOM 1220 O GLY A 75 -13.752 13.591 9.010 1.00 36.26 O ATOM 0 H GLY A 75 -15.799 10.757 6.641 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.844 13.533 7.417 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.854 12.121 8.454 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.952 12.235 7.462 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.616 12.408 7.912 1.00 36.19 C ATOM 1226 C GLY A 76 -10.633 11.612 6.972 1.00 36.20 C ATOM 1227 O GLY A 76 -9.877 10.724 7.486 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.580 11.892 5.741 1.00 0.00 O ATOM 0 H GLY A 76 -13.060 11.586 6.682 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.356 13.467 7.913 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.519 12.055 8.939 1.00 36.19 H new TER 1232 GLY A 76