USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 7 THR OG1 : rot 101:sc= 0.134 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.202 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 145:sc= 1.16 (180deg=0.807) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 1 MET CE :methyl -175:sc= -0.0762 (180deg=-0.115) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.41 (180deg=2.28) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.031 F(o=-1.5!,f=-0.031) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 0.348 (180deg=-1.53!) 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 22 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 25 ASN : amide:sc= 0.986 K(o=0.99,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.59 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.004) USER MOD Single : A 31 GLN : amide:sc= -0.0291 K(o=-0.029,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00697 K(o=-0.007,f=-0.9) USER MOD Single : A 55 THR OG1 : rot -60:sc= 1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.977 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0322 X(o=-0.032,f=-0.063) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 112:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.454 K(o=0.45,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.508 -7.031 -4.567 1.00 9.67 N ATOM 2 CA MET A 1 11.568 -7.157 -3.131 1.00 10.38 C ATOM 3 C MET A 1 10.211 -7.517 -2.540 1.00 9.62 C ATOM 4 O MET A 1 9.218 -6.985 -3.006 1.00 9.62 O ATOM 5 CB MET A 1 11.988 -5.694 -2.654 1.00 13.77 C ATOM 6 CG MET A 1 12.303 -5.447 -1.196 1.00 16.29 C ATOM 7 SD MET A 1 12.797 -3.839 -0.631 1.00 17.17 S ATOM 8 CE MET A 1 11.187 -2.938 -0.605 1.00 16.11 C ATOM 0 H1 MET A 1 12.433 -6.719 -4.927 1.00 9.67 H new ATOM 0 H2 MET A 1 11.265 -7.951 -4.986 1.00 9.67 H new ATOM 0 H3 MET A 1 10.783 -6.331 -4.824 1.00 9.67 H new ATOM 0 HA MET A 1 12.253 -7.944 -2.815 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.865 -5.402 -3.231 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.182 -5.016 -2.933 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.418 -5.729 -0.625 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.096 -6.141 -0.918 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.360 -1.891 -0.355 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.717 -3.004 -1.586 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.531 -3.386 0.142 1.00 16.11 H new ATOM 20 N GLN A 2 10.132 -8.449 -1.568 1.00 9.27 N ATOM 21 CA GLN A 2 8.838 -8.931 -1.093 1.00 9.07 C ATOM 22 C GLN A 2 8.338 -7.948 -0.086 1.00 8.72 C ATOM 23 O GLN A 2 9.130 -7.533 0.782 1.00 8.22 O ATOM 24 CB GLN A 2 8.953 -10.356 -0.399 1.00 14.46 C ATOM 25 CG GLN A 2 7.724 -11.276 -0.329 1.00 17.01 C ATOM 26 CD GLN A 2 7.312 -11.927 -1.664 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.912 -11.103 -2.646 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 7.144 -13.149 -1.738 1.00 19.49 N flip ATOM 0 H GLN A 2 10.939 -8.871 -1.109 1.00 9.27 H new ATOM 0 HA GLN A 2 8.163 -9.030 -1.943 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.741 -10.905 -0.915 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.295 -10.193 0.623 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.923 -12.066 0.395 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.880 -10.700 0.051 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.457 -13.754 -0.979 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.692 -13.553 -2.559 1.00 19.49 H new ATOM 37 N ILE A 3 7.034 -7.537 -0.096 1.00 5.87 N ATOM 38 CA ILE A 3 6.459 -6.692 0.900 1.00 5.07 C ATOM 39 C ILE A 3 5.165 -7.359 1.291 1.00 4.01 C ATOM 40 O ILE A 3 4.702 -8.212 0.585 1.00 4.61 O ATOM 41 CB ILE A 3 6.196 -5.155 0.716 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.219 -4.932 -0.487 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.536 -4.436 0.673 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.019 -3.421 -0.775 1.00 10.83 C ATOM 0 H ILE A 3 6.374 -7.809 -0.825 1.00 5.87 H new ATOM 0 HA ILE A 3 7.271 -6.619 1.624 1.00 5.07 H new ATOM 0 HB ILE A 3 5.670 -4.704 1.558 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.614 -5.425 -1.375 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.256 -5.394 -0.267 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.371 -3.366 0.545 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.073 -4.612 1.605 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.125 -4.814 -0.162 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.336 -3.298 -1.615 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.601 -2.935 0.107 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.979 -2.967 -1.019 1.00 10.83 H new ATOM 56 N PHE A 4 4.627 -6.980 2.440 1.00 4.55 N ATOM 57 CA PHE A 4 3.416 -7.528 2.961 1.00 4.68 C ATOM 58 C PHE A 4 2.350 -6.334 3.118 1.00 5.30 C ATOM 59 O PHE A 4 2.722 -5.260 3.600 1.00 5.58 O ATOM 60 CB PHE A 4 3.569 -8.434 4.237 1.00 4.83 C ATOM 61 CG PHE A 4 4.380 -9.624 3.898 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.965 -10.539 2.926 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.635 -9.812 4.527 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.718 -11.673 2.648 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.396 -10.981 4.222 1.00 10.61 C ATOM 66 CZ PHE A 4 5.944 -11.919 3.280 1.00 8.90 C ATOM 0 H PHE A 4 5.041 -6.266 3.039 1.00 4.55 H new ATOM 0 HA PHE A 4 3.042 -8.256 2.241 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.045 -7.872 5.041 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.588 -8.740 4.600 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.048 -10.362 2.384 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.011 -9.081 5.228 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.348 -12.385 1.925 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.337 -11.147 4.725 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.523 -12.801 3.050 1.00 8.90 H new ATOM 76 N VAL A 5 1.084 -6.595 2.753 1.00 4.44 N ATOM 77 CA VAL A 5 0.043 -5.630 3.038 1.00 3.87 C ATOM 78 C VAL A 5 -1.052 -6.236 3.888 1.00 4.93 C ATOM 79 O VAL A 5 -1.659 -7.246 3.590 1.00 6.84 O ATOM 80 CB VAL A 5 -0.558 -5.013 1.737 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.422 -3.822 2.081 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.555 -4.691 0.771 1.00 9.13 C ATOM 0 H VAL A 5 0.776 -7.442 2.276 1.00 4.44 H new ATOM 0 HA VAL A 5 0.512 -4.823 3.601 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.210 -5.730 1.239 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.837 -3.398 1.167 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.234 -4.139 2.736 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.819 -3.069 2.589 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.135 -4.260 -0.138 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.239 -3.976 1.229 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.097 -5.604 0.523 1.00 9.13 H new ATOM 92 N LYS A 6 -1.292 -5.703 5.072 1.00 6.04 N ATOM 93 CA LYS A 6 -2.162 -6.217 6.102 1.00 6.12 C ATOM 94 C LYS A 6 -3.468 -5.569 5.944 1.00 6.57 C ATOM 95 O LYS A 6 -3.587 -4.378 5.716 1.00 5.76 O ATOM 96 CB LYS A 6 -1.680 -5.906 7.579 1.00 7.45 C ATOM 97 CG LYS A 6 -2.359 -6.720 8.683 1.00 11.12 C ATOM 98 CD LYS A 6 -2.040 -8.251 8.580 1.00 14.54 C ATOM 99 CE LYS A 6 -2.485 -9.040 9.875 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.529 -10.486 9.702 1.00 20.55 N ATOM 0 H LYS A 6 -0.846 -4.831 5.356 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.180 -7.300 5.982 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.605 -6.078 7.635 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.844 -4.847 7.780 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.035 -6.349 9.655 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.438 -6.572 8.628 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.547 -8.669 7.710 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.970 -8.388 8.422 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.798 -8.802 10.687 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.471 -8.691 10.180 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.239 -10.950 10.586 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.497 -10.777 9.459 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.882 -10.764 8.937 1.00 20.55 H new ATOM 114 N THR A 7 -4.621 -6.340 6.074 1.00 7.41 N ATOM 115 CA THR A 7 -5.900 -5.676 6.041 1.00 7.48 C ATOM 116 C THR A 7 -6.636 -5.710 7.378 1.00 8.75 C ATOM 117 O THR A 7 -6.210 -6.441 8.264 1.00 8.58 O ATOM 118 CB THR A 7 -6.831 -6.191 4.931 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.651 -7.322 5.208 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.074 -6.474 3.601 1.00 9.17 C ATOM 0 H THR A 7 -4.647 -7.353 6.193 1.00 7.41 H new ATOM 0 HA THR A 7 -5.646 -4.640 5.817 1.00 7.48 H new ATOM 0 HB THR A 7 -7.513 -5.344 4.849 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.564 -7.024 5.401 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.778 -6.835 2.851 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.606 -5.556 3.246 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.307 -7.229 3.772 1.00 9.17 H new ATOM 128 N LEU A 8 -7.607 -4.801 7.623 1.00 9.84 N ATOM 129 CA LEU A 8 -8.308 -4.737 8.890 1.00 14.15 C ATOM 130 C LEU A 8 -9.151 -5.984 9.233 1.00 17.37 C ATOM 131 O LEU A 8 -9.364 -6.305 10.408 1.00 17.01 O ATOM 132 CB LEU A 8 -9.279 -3.534 8.920 1.00 16.63 C ATOM 133 CG LEU A 8 -8.598 -2.122 8.865 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.529 -0.878 8.516 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.855 -1.757 10.144 1.00 18.59 C ATOM 0 H LEU A 8 -7.912 -4.104 6.943 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.507 -4.651 9.624 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.966 -3.621 8.078 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.879 -3.595 9.828 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.919 -2.276 8.027 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.932 0.034 8.511 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.977 -1.023 7.533 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.317 -0.792 9.264 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.409 -0.768 10.036 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.553 -1.750 10.981 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.071 -2.491 10.331 1.00 18.59 H new ATOM 147 N THR A 9 -9.658 -6.735 8.217 1.00 18.33 N ATOM 148 CA THR A 9 -10.331 -8.027 8.291 1.00 19.24 C ATOM 149 C THR A 9 -9.255 -9.100 8.404 1.00 19.48 C ATOM 150 O THR A 9 -9.582 -10.340 8.327 1.00 23.14 O ATOM 151 CB THR A 9 -11.233 -8.184 7.084 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.598 -7.703 5.888 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.490 -7.391 7.492 1.00 19.70 C ATOM 0 H THR A 9 -9.592 -6.410 7.252 1.00 18.33 H new ATOM 0 HA THR A 9 -10.977 -8.115 9.164 1.00 19.24 H new ATOM 0 HB THR A 9 -11.473 -9.218 6.835 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.204 -7.819 5.127 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.224 -7.433 6.687 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.917 -7.826 8.396 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.219 -6.352 7.682 1.00 19.70 H new ATOM 161 N GLY A 10 -7.991 -8.738 8.560 1.00 19.43 N ATOM 162 CA GLY A 10 -6.920 -9.526 9.034 1.00 18.74 C ATOM 163 C GLY A 10 -6.069 -10.277 8.019 1.00 17.62 C ATOM 164 O GLY A 10 -5.038 -10.810 8.433 1.00 19.74 O ATOM 0 H GLY A 10 -7.686 -7.792 8.330 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.258 -8.876 9.607 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.329 -10.258 9.731 1.00 18.74 H new ATOM 168 N LYS A 11 -6.431 -10.359 6.697 1.00 13.56 N ATOM 169 CA LYS A 11 -5.621 -11.140 5.697 1.00 11.91 C ATOM 170 C LYS A 11 -4.301 -10.453 5.400 1.00 10.18 C ATOM 171 O LYS A 11 -4.202 -9.229 5.645 1.00 9.10 O ATOM 172 CB LYS A 11 -6.331 -11.325 4.318 1.00 13.43 C ATOM 173 CG LYS A 11 -6.398 -10.083 3.361 1.00 16.69 C ATOM 174 CD LYS A 11 -6.607 -10.419 1.896 1.00 17.92 C ATOM 175 CE LYS A 11 -8.004 -11.002 1.616 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.053 -11.404 0.225 1.00 21.93 N ATOM 0 H LYS A 11 -7.257 -9.906 6.306 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.481 -12.112 6.169 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.826 -12.132 3.786 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.351 -11.658 4.508 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.209 -9.432 3.689 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.473 -9.515 3.461 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.466 -9.519 1.297 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.848 -11.135 1.579 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.198 -11.855 2.266 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.775 -10.260 1.825 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.839 -10.916 -0.250 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.158 -11.152 -0.241 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.197 -12.432 0.166 1.00 21.93 H new ATOM 190 N THR A 12 -3.320 -11.177 4.935 1.00 9.63 N ATOM 191 CA THR A 12 -2.067 -10.602 4.619 1.00 9.85 C ATOM 192 C THR A 12 -1.642 -10.895 3.231 1.00 11.66 C ATOM 193 O THR A 12 -1.340 -12.009 2.796 1.00 12.33 O ATOM 194 CB THR A 12 -0.909 -11.078 5.512 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.248 -10.790 6.869 1.00 10.91 O ATOM 196 CG2 THR A 12 0.335 -10.289 5.254 1.00 9.63 C ATOM 0 H THR A 12 -3.379 -12.182 4.769 1.00 9.63 H new ATOM 0 HA THR A 12 -2.246 -9.538 4.774 1.00 9.85 H new ATOM 0 HB THR A 12 -0.747 -12.137 5.311 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.523 -11.087 7.457 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.135 -10.649 5.901 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.630 -10.406 4.211 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.147 -9.236 5.462 1.00 9.63 H new ATOM 204 N ILE A 13 -1.649 -9.836 2.466 1.00 10.42 N ATOM 205 CA ILE A 13 -1.376 -9.869 1.087 1.00 11.84 C ATOM 206 C ILE A 13 0.106 -9.877 0.789 1.00 10.55 C ATOM 207 O ILE A 13 0.797 -9.020 1.323 1.00 11.92 O ATOM 208 CB ILE A 13 -2.003 -8.734 0.217 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.436 -8.407 0.633 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.890 -9.130 -1.254 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.043 -7.165 -0.061 1.00 16.46 C ATOM 0 H ILE A 13 -1.855 -8.901 2.817 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.859 -10.804 0.803 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.449 -7.809 0.377 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.067 -9.270 0.421 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.460 -8.252 1.712 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.324 -8.347 -1.876 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.840 -9.261 -1.516 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.425 -10.065 -1.421 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.061 -7.010 0.296 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.440 -6.287 0.171 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.056 -7.321 -1.140 1.00 16.46 H new ATOM 223 N THR A 14 0.588 -10.938 0.110 1.00 9.39 N ATOM 224 CA THR A 14 1.923 -11.002 -0.452 1.00 9.63 C ATOM 225 C THR A 14 2.098 -10.228 -1.784 1.00 11.20 C ATOM 226 O THR A 14 1.401 -10.455 -2.725 1.00 11.63 O ATOM 227 CB THR A 14 2.418 -12.425 -0.699 1.00 10.38 C ATOM 228 OG1 THR A 14 2.282 -13.201 0.488 1.00 16.30 O ATOM 229 CG2 THR A 14 3.907 -12.266 -0.923 1.00 11.66 C ATOM 0 H THR A 14 0.039 -11.781 -0.058 1.00 9.39 H new ATOM 0 HA THR A 14 2.518 -10.524 0.327 1.00 9.63 H new ATOM 0 HB THR A 14 1.874 -12.900 -1.516 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.600 -14.113 0.321 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.353 -13.243 -1.110 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.078 -11.618 -1.783 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.363 -11.822 -0.038 1.00 11.66 H new ATOM 237 N LEU A 15 3.083 -9.314 -1.906 1.00 8.29 N ATOM 238 CA LEU A 15 3.391 -8.583 -3.123 1.00 9.03 C ATOM 239 C LEU A 15 4.878 -8.520 -3.422 1.00 8.59 C ATOM 240 O LEU A 15 5.777 -8.576 -2.588 1.00 7.79 O ATOM 241 CB LEU A 15 2.903 -7.135 -3.118 1.00 11.08 C ATOM 242 CG LEU A 15 1.382 -6.964 -3.159 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.905 -5.521 -2.870 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.733 -7.454 -4.481 1.00 15.27 C ATOM 0 H LEU A 15 3.696 -9.067 -1.129 1.00 8.29 H new ATOM 0 HA LEU A 15 2.862 -9.157 -3.884 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.285 -6.642 -2.224 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.335 -6.619 -3.976 1.00 11.08 H new ATOM 0 HG LEU A 15 1.042 -7.607 -2.347 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.183 -5.481 -2.917 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.236 -5.221 -1.876 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.325 -4.843 -3.613 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.345 -7.301 -4.436 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.145 -6.891 -5.319 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.943 -8.515 -4.618 1.00 15.27 H new ATOM 256 N GLU A 16 5.230 -8.416 -4.705 1.00 11.04 N ATOM 257 CA GLU A 16 6.529 -8.259 -5.315 1.00 11.50 C ATOM 258 C GLU A 16 6.713 -6.779 -5.880 1.00 10.13 C ATOM 259 O GLU A 16 6.062 -6.298 -6.788 1.00 9.83 O ATOM 260 CB GLU A 16 6.726 -9.365 -6.405 1.00 17.22 C ATOM 261 CG GLU A 16 8.072 -9.279 -7.098 1.00 23.33 C ATOM 262 CD GLU A 16 9.259 -9.727 -6.260 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.197 -10.874 -5.746 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.190 -8.920 -6.045 1.00 28.86 O ATOM 0 H GLU A 16 4.507 -8.445 -5.424 1.00 11.04 H new ATOM 0 HA GLU A 16 7.312 -8.393 -4.568 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.624 -10.346 -5.942 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.934 -9.280 -7.149 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.037 -9.885 -8.003 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.237 -8.248 -7.411 1.00 23.33 H new ATOM 271 N VAL A 17 7.631 -6.019 -5.331 1.00 8.99 N ATOM 272 CA VAL A 17 7.779 -4.612 -5.591 1.00 8.85 C ATOM 273 C VAL A 17 9.226 -4.291 -5.769 1.00 8.04 C ATOM 274 O VAL A 17 10.115 -5.149 -5.691 1.00 8.99 O ATOM 275 CB VAL A 17 7.242 -3.775 -4.407 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.724 -4.033 -4.207 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.872 -4.091 -3.036 1.00 10.54 C ATOM 0 H VAL A 17 8.318 -6.379 -4.668 1.00 8.99 H new ATOM 0 HA VAL A 17 7.214 -4.371 -6.491 1.00 8.85 H new ATOM 0 HB VAL A 17 7.490 -2.752 -4.690 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.361 -3.437 -3.370 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.185 -3.754 -5.112 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.559 -5.090 -3.998 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.427 -3.450 -2.275 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.689 -5.135 -2.784 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.946 -3.911 -3.079 1.00 10.54 H new ATOM 287 N GLU A 18 9.649 -2.995 -5.932 1.00 7.29 N ATOM 288 CA GLU A 18 11.100 -2.712 -6.169 1.00 7.08 C ATOM 289 C GLU A 18 11.312 -1.413 -5.469 1.00 6.45 C ATOM 290 O GLU A 18 10.304 -0.730 -5.325 1.00 5.28 O ATOM 291 CB GLU A 18 11.551 -2.737 -7.674 1.00 10.28 C ATOM 292 CG GLU A 18 11.272 -1.447 -8.484 1.00 12.65 C ATOM 293 CD GLU A 18 12.070 -1.420 -9.779 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.343 -1.392 -9.795 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.447 -1.439 -10.897 1.00 14.33 O ATOM 0 H GLU A 18 9.043 -2.175 -5.906 1.00 7.29 H new ATOM 0 HA GLU A 18 11.740 -3.502 -5.778 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.621 -2.941 -7.709 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.051 -3.569 -8.169 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.208 -1.380 -8.709 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.525 -0.575 -7.881 1.00 12.65 H new ATOM 302 N PRO A 19 12.475 -0.899 -5.042 1.00 7.24 N ATOM 303 CA PRO A 19 12.682 0.346 -4.207 1.00 7.07 C ATOM 304 C PRO A 19 12.162 1.579 -4.927 1.00 6.65 C ATOM 305 O PRO A 19 11.763 2.539 -4.254 1.00 6.37 O ATOM 306 CB PRO A 19 14.176 0.402 -4.008 1.00 7.61 C ATOM 307 CG PRO A 19 14.546 -1.025 -3.903 1.00 8.16 C ATOM 308 CD PRO A 19 13.665 -1.669 -4.991 1.00 7.49 C ATOM 0 HA PRO A 19 12.141 0.319 -3.261 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.677 0.889 -4.844 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.444 0.957 -3.109 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.608 -1.185 -4.091 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.332 -1.430 -2.914 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.173 -1.666 -5.956 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.446 -2.709 -4.750 1.00 7.49 H new ATOM 316 N SER A 20 12.208 1.669 -6.274 1.00 6.80 N ATOM 317 CA SER A 20 11.867 2.843 -7.010 1.00 6.28 C ATOM 318 C SER A 20 10.405 2.822 -7.394 1.00 8.45 C ATOM 319 O SER A 20 9.890 3.887 -7.797 1.00 7.26 O ATOM 320 CB SER A 20 12.658 3.026 -8.276 1.00 8.57 C ATOM 321 OG SER A 20 14.035 3.142 -7.884 1.00 11.13 O ATOM 0 H SER A 20 12.494 0.891 -6.868 1.00 6.80 H new ATOM 0 HA SER A 20 12.101 3.670 -6.339 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.516 2.179 -8.948 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.331 3.917 -8.812 1.00 8.57 H new ATOM 0 HG SER A 20 14.593 3.262 -8.681 1.00 11.13 H new ATOM 327 N ASP A 21 9.694 1.717 -7.073 1.00 7.50 N ATOM 328 CA ASP A 21 8.288 1.560 -7.247 1.00 7.70 C ATOM 329 C ASP A 21 7.494 2.418 -6.369 1.00 7.08 C ATOM 330 O ASP A 21 7.936 2.890 -5.304 1.00 8.11 O ATOM 331 CB ASP A 21 7.883 0.070 -7.149 1.00 11.00 C ATOM 332 CG ASP A 21 6.713 -0.220 -8.061 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.425 0.516 -9.038 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.949 -1.204 -7.801 1.00 14.36 O ATOM 0 H ASP A 21 10.134 0.890 -6.669 1.00 7.50 H new ATOM 0 HA ASP A 21 8.055 1.901 -8.256 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.729 -0.562 -7.420 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.619 -0.175 -6.120 1.00 11.00 H new ATOM 339 N THR A 22 6.203 2.603 -6.714 1.00 5.37 N ATOM 340 CA THR A 22 5.443 3.717 -6.052 1.00 6.01 C ATOM 341 C THR A 22 4.321 3.139 -5.247 1.00 8.01 C ATOM 342 O THR A 22 4.026 1.939 -5.344 1.00 8.11 O ATOM 343 CB THR A 22 4.830 4.803 -7.029 1.00 8.92 C ATOM 344 OG1 THR A 22 3.992 4.180 -8.031 1.00 10.22 O ATOM 345 CG2 THR A 22 6.141 5.478 -7.583 1.00 9.65 C ATOM 0 H THR A 22 5.683 2.049 -7.394 1.00 5.37 H new ATOM 0 HA THR A 22 6.183 4.236 -5.442 1.00 6.01 H new ATOM 0 HB THR A 22 4.154 5.529 -6.578 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.623 4.868 -8.623 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.875 6.267 -8.287 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.707 5.906 -6.756 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.749 4.729 -8.090 1.00 9.65 H new ATOM 353 N ILE A 23 3.707 3.940 -4.420 1.00 8.32 N ATOM 354 CA ILE A 23 2.470 3.609 -3.659 1.00 9.92 C ATOM 355 C ILE A 23 1.312 3.326 -4.618 1.00 10.01 C ATOM 356 O ILE A 23 0.510 2.411 -4.366 1.00 8.71 O ATOM 357 CB ILE A 23 2.078 4.595 -2.658 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.276 4.989 -1.785 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.961 4.042 -1.812 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.083 3.903 -1.066 1.00 12.30 C ATOM 0 H ILE A 23 4.044 4.884 -4.230 1.00 8.32 H new ATOM 0 HA ILE A 23 2.716 2.712 -3.091 1.00 9.92 H new ATOM 0 HB ILE A 23 1.726 5.493 -3.166 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.969 5.545 -2.416 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.911 5.680 -1.025 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.670 4.781 -1.065 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.105 3.810 -2.446 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.298 3.134 -1.312 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.890 4.366 -0.497 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.430 3.353 -0.388 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.504 3.216 -1.800 1.00 12.30 H new ATOM 372 N GLU A 24 1.187 4.144 -5.716 1.00 9.54 N ATOM 373 CA GLU A 24 0.152 3.990 -6.708 1.00 11.81 C ATOM 374 C GLU A 24 0.191 2.724 -7.423 1.00 11.14 C ATOM 375 O GLU A 24 -0.805 2.114 -7.687 1.00 10.62 O ATOM 376 CB GLU A 24 0.239 5.181 -7.646 1.00 19.24 C ATOM 377 CG GLU A 24 -0.817 5.106 -8.781 1.00 27.76 C ATOM 378 CD GLU A 24 -0.475 6.188 -9.771 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.551 5.952 -10.423 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.132 7.202 -9.849 1.00 34.80 O ATOM 0 H GLU A 24 1.821 4.920 -5.906 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.813 3.965 -6.201 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.096 6.101 -7.078 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.237 5.227 -8.082 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.801 4.127 -9.259 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.822 5.250 -8.384 1.00 27.76 H new ATOM 387 N ASN A 25 1.421 2.316 -7.768 1.00 9.43 N ATOM 388 CA ASN A 25 1.752 1.001 -8.276 1.00 10.96 C ATOM 389 C ASN A 25 1.492 -0.070 -7.257 1.00 9.68 C ATOM 390 O ASN A 25 0.867 -1.073 -7.627 1.00 9.33 O ATOM 391 CB ASN A 25 3.213 0.797 -8.826 1.00 16.78 C ATOM 392 CG ASN A 25 3.300 1.498 -10.189 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.369 1.714 -10.925 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.553 1.772 -10.560 1.00 24.70 N ATOM 0 H ASN A 25 2.235 2.926 -7.693 1.00 9.43 H new ATOM 0 HA ASN A 25 1.087 0.919 -9.136 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.944 1.214 -8.134 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.439 -0.265 -8.927 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.737 2.171 -11.480 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.327 1.582 -9.923 1.00 24.70 H new ATOM 401 N VAL A 26 1.844 0.039 -5.952 1.00 6.52 N ATOM 402 CA VAL A 26 1.466 -0.898 -4.894 1.00 5.53 C ATOM 403 C VAL A 26 -0.109 -1.077 -4.827 1.00 4.42 C ATOM 404 O VAL A 26 -0.544 -2.194 -4.786 1.00 3.40 O ATOM 405 CB VAL A 26 1.983 -0.570 -3.531 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.301 -1.372 -2.403 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.469 -1.063 -3.513 1.00 8.12 C ATOM 0 H VAL A 26 2.417 0.810 -5.608 1.00 6.52 H new ATOM 0 HA VAL A 26 1.951 -1.831 -5.183 1.00 5.53 H new ATOM 0 HB VAL A 26 1.820 0.494 -3.360 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.726 -1.082 -1.442 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.231 -1.164 -2.404 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.463 -2.438 -2.565 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.910 -0.853 -2.539 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.499 -2.136 -3.701 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.034 -0.544 -4.287 1.00 8.12 H new ATOM 417 N LYS A 27 -0.944 0.000 -4.849 1.00 2.64 N ATOM 418 CA LYS A 27 -2.404 -0.046 -4.778 1.00 4.14 C ATOM 419 C LYS A 27 -3.030 -0.559 -6.096 1.00 5.58 C ATOM 420 O LYS A 27 -4.084 -1.254 -6.064 1.00 4.11 O ATOM 421 CB LYS A 27 -2.974 1.336 -4.554 1.00 3.97 C ATOM 422 CG LYS A 27 -2.720 1.910 -3.184 1.00 7.45 C ATOM 423 CD LYS A 27 -3.323 3.299 -3.040 1.00 9.02 C ATOM 424 CE LYS A 27 -3.077 3.946 -1.679 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.615 5.279 -1.684 1.00 15.47 N ATOM 0 H LYS A 27 -0.588 0.953 -4.920 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.641 -0.719 -3.954 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.554 2.012 -5.299 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.050 1.302 -4.724 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.143 1.249 -2.427 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.646 1.958 -3.002 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.913 3.944 -3.817 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.398 3.237 -3.212 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.546 3.355 -0.892 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.009 3.973 -1.464 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.137 5.849 -0.957 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.464 5.711 -2.618 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.634 5.243 -1.481 1.00 15.47 H new ATOM 439 N ALA A 28 -2.296 -0.346 -7.221 1.00 6.61 N ATOM 440 CA ALA A 28 -2.609 -0.941 -8.524 1.00 7.74 C ATOM 441 C ALA A 28 -2.398 -2.463 -8.452 1.00 9.17 C ATOM 442 O ALA A 28 -3.262 -3.192 -8.896 1.00 11.45 O ATOM 443 CB ALA A 28 -1.789 -0.317 -9.636 1.00 7.68 C ATOM 0 H ALA A 28 -1.468 0.249 -7.236 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.654 -0.739 -8.761 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.049 -0.784 -10.586 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.999 0.751 -9.687 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.728 -0.469 -9.435 1.00 7.68 H new ATOM 449 N LYS A 29 -1.335 -3.011 -7.795 1.00 8.96 N ATOM 450 CA LYS A 29 -1.237 -4.436 -7.482 1.00 7.90 C ATOM 451 C LYS A 29 -2.340 -4.932 -6.621 1.00 6.92 C ATOM 452 O LYS A 29 -2.966 -5.931 -7.013 1.00 6.87 O ATOM 453 CB LYS A 29 0.120 -4.777 -6.903 1.00 10.28 C ATOM 454 CG LYS A 29 1.277 -4.511 -7.858 1.00 14.94 C ATOM 455 CD LYS A 29 2.712 -4.724 -7.278 1.00 19.69 C ATOM 456 CE LYS A 29 3.811 -4.029 -8.061 1.00 22.63 C ATOM 457 NZ LYS A 29 3.799 -4.366 -9.534 1.00 24.98 N ATOM 0 H LYS A 29 -0.534 -2.465 -7.476 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.346 -4.962 -8.430 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.272 -4.199 -5.992 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.130 -5.829 -6.618 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.159 -5.158 -8.728 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.200 -3.483 -8.212 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.732 -4.365 -6.249 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.924 -5.793 -7.247 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.707 -2.951 -7.941 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.778 -4.305 -7.640 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.593 -3.888 -10.006 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.893 -5.395 -9.656 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.903 -4.048 -9.956 1.00 24.98 H new ATOM 471 N ILE A 30 -2.674 -4.267 -5.474 1.00 4.57 N ATOM 472 CA ILE A 30 -3.775 -4.549 -4.583 1.00 5.58 C ATOM 473 C ILE A 30 -5.119 -4.624 -5.275 1.00 7.26 C ATOM 474 O ILE A 30 -5.921 -5.476 -5.026 1.00 9.46 O ATOM 475 CB ILE A 30 -3.857 -3.599 -3.374 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.617 -3.863 -2.520 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.171 -3.856 -2.525 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.406 -2.808 -1.406 1.00 2.00 C ATOM 0 H ILE A 30 -2.125 -3.470 -5.152 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.542 -5.545 -4.206 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.896 -2.563 -3.710 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.701 -4.850 -2.065 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.738 -3.882 -3.164 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.198 -3.169 -1.679 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.047 -3.693 -3.153 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.173 -4.883 -2.159 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.509 -3.054 -0.837 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.291 -1.822 -1.856 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.269 -2.805 -0.740 1.00 2.00 H new ATOM 490 N GLN A 31 -5.439 -3.675 -6.187 1.00 7.06 N ATOM 491 CA GLN A 31 -6.695 -3.676 -6.961 1.00 8.67 C ATOM 492 C GLN A 31 -6.770 -4.920 -7.834 1.00 10.90 C ATOM 493 O GLN A 31 -7.760 -5.647 -7.893 1.00 9.63 O ATOM 494 CB GLN A 31 -6.760 -2.370 -7.901 1.00 9.12 C ATOM 495 CG GLN A 31 -8.094 -2.344 -8.657 1.00 10.76 C ATOM 496 CD GLN A 31 -8.300 -1.088 -9.498 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.158 -0.248 -9.231 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.378 -0.868 -10.435 1.00 14.76 N ATOM 0 H GLN A 31 -4.829 -2.887 -6.404 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.533 -3.669 -6.264 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.656 -1.469 -7.296 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.930 -2.377 -8.608 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.150 -3.218 -9.306 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.910 -2.427 -7.939 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.677 -1.581 -10.638 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.373 0.013 -10.949 1.00 14.76 H new ATOM 507 N ASP A 32 -5.669 -5.300 -8.459 1.00 10.93 N ATOM 508 CA ASP A 32 -5.640 -6.563 -9.154 1.00 14.01 C ATOM 509 C ASP A 32 -5.797 -7.796 -8.346 1.00 14.04 C ATOM 510 O ASP A 32 -6.557 -8.663 -8.766 1.00 13.39 O ATOM 511 CB ASP A 32 -4.427 -6.706 -10.102 1.00 18.01 C ATOM 512 CG ASP A 32 -4.724 -7.488 -11.312 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.817 -7.282 -11.956 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.817 -8.228 -11.769 1.00 25.17 O ATOM 0 H ASP A 32 -4.804 -4.761 -8.497 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.561 -6.496 -9.733 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.084 -5.714 -10.394 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.607 -7.181 -9.563 1.00 18.01 H new ATOM 519 N LYS A 33 -5.184 -7.909 -7.091 1.00 14.22 N ATOM 520 CA LYS A 33 -5.447 -9.055 -6.240 1.00 14.00 C ATOM 521 C LYS A 33 -6.895 -9.046 -5.674 1.00 12.37 C ATOM 522 O LYS A 33 -7.572 -10.085 -5.624 1.00 12.17 O ATOM 523 CB LYS A 33 -4.500 -8.942 -5.021 1.00 18.62 C ATOM 524 CG LYS A 33 -3.044 -8.840 -5.362 1.00 24.00 C ATOM 525 CD LYS A 33 -2.503 -10.080 -6.151 1.00 27.61 C ATOM 526 CE LYS A 33 -0.906 -10.089 -6.242 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.495 -11.315 -6.872 1.00 30.06 N ATOM 0 H LYS A 33 -4.537 -7.224 -6.701 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.303 -9.960 -6.829 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.784 -8.066 -4.438 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.649 -9.812 -4.382 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.879 -7.941 -5.955 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.470 -8.725 -4.443 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.843 -10.994 -5.664 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.922 -10.080 -7.157 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.554 -9.231 -6.815 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.469 -10.009 -5.247 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.542 -11.339 -6.940 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.824 -12.123 -6.306 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.906 -11.370 -7.826 1.00 30.06 H new ATOM 541 N GLU A 34 -7.402 -7.836 -5.177 1.00 10.11 N ATOM 542 CA GLU A 34 -8.563 -7.792 -4.264 1.00 10.07 C ATOM 543 C GLU A 34 -9.717 -7.086 -4.820 1.00 9.32 C ATOM 544 O GLU A 34 -10.855 -7.205 -4.307 1.00 11.61 O ATOM 545 CB GLU A 34 -8.177 -7.063 -2.966 1.00 14.77 C ATOM 546 CG GLU A 34 -6.917 -7.696 -2.182 1.00 18.75 C ATOM 547 CD GLU A 34 -7.285 -8.881 -1.304 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.159 -8.726 -0.413 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.672 -9.990 -1.531 1.00 25.19 O ATOM 0 H GLU A 34 -7.013 -6.921 -5.406 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.841 -8.832 -4.091 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.954 -6.023 -3.203 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.038 -7.060 -2.298 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.167 -8.010 -2.908 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.458 -6.924 -1.564 1.00 18.75 H new ATOM 556 N GLY A 35 -9.606 -6.396 -5.982 1.00 7.22 N ATOM 557 CA GLY A 35 -10.753 -5.660 -6.571 1.00 6.29 C ATOM 558 C GLY A 35 -10.986 -4.314 -5.940 1.00 6.93 C ATOM 559 O GLY A 35 -11.983 -3.713 -6.334 1.00 7.41 O ATOM 0 H GLY A 35 -8.745 -6.334 -6.525 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.580 -5.527 -7.639 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.655 -6.263 -6.466 1.00 6.29 H new ATOM 563 N ILE A 36 -10.158 -3.828 -5.020 1.00 5.86 N ATOM 564 CA ILE A 36 -10.427 -2.535 -4.400 1.00 6.07 C ATOM 565 C ILE A 36 -9.913 -1.320 -5.194 1.00 6.36 C ATOM 566 O ILE A 36 -8.709 -1.230 -5.481 1.00 6.18 O ATOM 567 CB ILE A 36 -9.802 -2.466 -2.950 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.185 -3.674 -2.093 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.406 -1.153 -2.322 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.288 -3.673 -0.855 1.00 9.49 C ATOM 0 H ILE A 36 -9.314 -4.297 -4.693 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.515 -2.471 -4.372 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.713 -2.466 -2.994 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.235 -3.620 -1.804 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.057 -4.598 -2.657 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.024 -1.025 -1.309 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.120 -0.294 -2.929 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.493 -1.230 -2.293 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.539 -4.525 -0.223 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.244 -3.743 -1.162 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.440 -2.750 -0.296 1.00 9.49 H new ATOM 582 N PRO A 37 -10.774 -0.328 -5.542 1.00 8.65 N ATOM 583 CA PRO A 37 -10.385 0.956 -6.106 1.00 9.18 C ATOM 584 C PRO A 37 -9.224 1.651 -5.317 1.00 9.85 C ATOM 585 O PRO A 37 -9.381 1.822 -4.109 1.00 8.51 O ATOM 586 CB PRO A 37 -11.708 1.849 -6.032 1.00 11.42 C ATOM 587 CG PRO A 37 -12.775 0.764 -6.156 1.00 9.27 C ATOM 588 CD PRO A 37 -12.212 -0.444 -5.449 1.00 8.33 C ATOM 0 HA PRO A 37 -10.003 0.826 -7.118 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.784 2.402 -5.096 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.762 2.580 -6.839 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.713 1.083 -5.700 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.988 0.542 -7.202 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.534 -0.472 -4.408 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.560 -1.366 -5.915 1.00 8.33 H new ATOM 596 N PRO A 38 -8.067 2.059 -5.812 1.00 8.71 N ATOM 597 CA PRO A 38 -7.070 2.892 -5.121 1.00 9.08 C ATOM 598 C PRO A 38 -7.689 4.189 -4.592 1.00 9.28 C ATOM 599 O PRO A 38 -7.115 4.824 -3.688 1.00 6.50 O ATOM 600 CB PRO A 38 -5.981 3.135 -6.146 1.00 10.31 C ATOM 601 CG PRO A 38 -6.004 1.805 -6.892 1.00 10.81 C ATOM 602 CD PRO A 38 -7.467 1.530 -7.022 1.00 12.00 C ATOM 0 HA PRO A 38 -6.668 2.403 -4.234 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.205 3.980 -6.797 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.014 3.336 -5.685 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.517 1.877 -7.865 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.492 1.020 -6.336 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.880 2.011 -7.908 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.659 0.462 -7.121 1.00 12.00 H new ATOM 610 N ASP A 39 -8.890 4.576 -5.071 1.00 11.20 N ATOM 611 CA ASP A 39 -9.652 5.601 -4.451 1.00 14.96 C ATOM 612 C ASP A 39 -10.111 5.414 -2.990 1.00 13.99 C ATOM 613 O ASP A 39 -10.200 6.313 -2.225 1.00 13.75 O ATOM 614 CB ASP A 39 -10.885 5.807 -5.341 1.00 24.16 C ATOM 615 CG ASP A 39 -10.567 6.271 -6.729 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.868 7.318 -6.721 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.889 5.709 -7.813 1.00 34.22 O ATOM 0 H ASP A 39 -9.329 4.169 -5.897 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.975 6.451 -4.367 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.437 4.869 -5.401 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.544 6.535 -4.868 1.00 24.16 H new ATOM 622 N GLN A 40 -10.505 4.142 -2.594 1.00 11.60 N ATOM 623 CA GLN A 40 -10.884 3.777 -1.245 1.00 10.76 C ATOM 624 C GLN A 40 -9.737 3.221 -0.463 1.00 8.01 C ATOM 625 O GLN A 40 -9.807 2.981 0.783 1.00 8.96 O ATOM 626 CB GLN A 40 -11.928 2.609 -1.310 1.00 11.14 C ATOM 627 CG GLN A 40 -13.313 2.942 -1.960 1.00 14.85 C ATOM 628 CD GLN A 40 -14.245 1.765 -1.809 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.456 0.984 -2.751 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.977 1.696 -0.695 1.00 18.16 N ATOM 0 H GLN A 40 -10.555 3.359 -3.246 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.264 4.683 -0.773 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.481 1.783 -1.864 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.105 2.253 -0.295 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.745 3.823 -1.485 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.182 3.180 -3.015 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.797 2.341 0.074 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.716 0.998 -0.613 1.00 18.16 H new ATOM 639 N GLN A 41 -8.531 3.013 -1.114 1.00 6.52 N ATOM 640 CA GLN A 41 -7.365 2.484 -0.379 1.00 3.87 C ATOM 641 C GLN A 41 -6.560 3.572 0.358 1.00 4.79 C ATOM 642 O GLN A 41 -6.098 4.505 -0.243 1.00 6.34 O ATOM 643 CB GLN A 41 -6.486 1.810 -1.459 1.00 4.20 C ATOM 644 CG GLN A 41 -7.096 0.486 -2.037 1.00 3.20 C ATOM 645 CD GLN A 41 -6.085 -0.298 -2.815 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.935 -0.593 -2.411 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.488 -0.779 -4.024 1.00 7.13 N ATOM 0 H GLN A 41 -8.367 3.201 -2.103 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.693 1.799 0.403 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.328 2.513 -2.277 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.507 1.592 -1.033 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.479 -0.125 -1.220 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.943 0.726 -2.680 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.418 -0.555 -4.378 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.860 -1.363 -4.576 1.00 7.13 H new ATOM 656 N ARG A 42 -6.409 3.466 1.675 1.00 5.73 N ATOM 657 CA ARG A 42 -5.458 4.257 2.411 1.00 6.97 C ATOM 658 C ARG A 42 -4.353 3.293 2.888 1.00 7.15 C ATOM 659 O ARG A 42 -4.653 2.232 3.445 1.00 7.33 O ATOM 660 CB ARG A 42 -6.051 4.857 3.718 1.00 13.23 C ATOM 661 CG ARG A 42 -7.026 5.978 3.414 1.00 21.27 C ATOM 662 CD ARG A 42 -7.616 6.497 4.717 1.00 26.14 C ATOM 663 NE ARG A 42 -8.382 7.714 4.316 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.112 8.436 5.215 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.338 8.011 6.451 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.676 9.617 4.869 1.00 36.39 N ATOM 0 H ARG A 42 -6.950 2.823 2.254 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.125 5.064 1.758 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.557 4.075 4.283 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.244 5.234 4.347 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.518 6.784 2.885 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.820 5.618 2.760 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.264 5.755 5.184 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.836 6.738 5.439 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.359 8.015 3.342 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.961 7.115 6.759 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.889 8.580 7.093 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.559 9.981 3.923 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.218 10.143 5.554 1.00 36.39 H new ATOM 680 N LEU A 43 -3.045 3.688 2.692 1.00 4.65 N ATOM 681 CA LEU A 43 -1.949 2.886 3.131 1.00 3.51 C ATOM 682 C LEU A 43 -1.142 3.593 4.283 1.00 5.56 C ATOM 683 O LEU A 43 -0.698 4.718 4.095 1.00 4.19 O ATOM 684 CB LEU A 43 -1.070 2.450 1.967 1.00 3.74 C ATOM 685 CG LEU A 43 -1.554 1.306 1.076 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.751 1.225 -0.189 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.583 0.004 1.886 1.00 6.41 C ATOM 0 H LEU A 43 -2.775 4.557 2.232 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.356 1.971 3.561 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.907 3.320 1.331 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.099 2.166 2.373 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.576 1.496 0.747 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.119 0.402 -0.802 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.847 2.160 -0.741 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.297 1.054 0.056 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.928 -0.812 1.251 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.581 -0.220 2.251 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.261 0.117 2.732 1.00 6.41 H new ATOM 699 N ILE A 44 -0.886 2.914 5.458 1.00 4.58 N ATOM 700 CA ILE A 44 -0.237 3.465 6.663 1.00 5.55 C ATOM 701 C ILE A 44 1.021 2.686 6.973 1.00 5.46 C ATOM 702 O ILE A 44 0.984 1.457 6.975 1.00 6.04 O ATOM 703 CB ILE A 44 -1.129 3.431 7.950 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.536 4.029 7.707 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.430 4.090 9.163 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.623 5.453 7.225 1.00 13.90 C ATOM 0 H ILE A 44 -1.144 1.934 5.574 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.034 4.508 6.422 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.271 2.379 8.196 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.046 3.398 6.979 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.096 3.957 8.640 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.087 4.042 10.032 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.498 3.561 9.380 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.208 5.132 8.933 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.669 5.732 7.100 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.156 6.114 7.956 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.106 5.546 6.270 1.00 13.90 H new ATOM 718 N PHE A 45 2.205 3.280 7.278 1.00 6.75 N ATOM 719 CA PHE A 45 3.479 2.570 7.605 1.00 4.70 C ATOM 720 C PHE A 45 4.365 3.507 8.378 1.00 6.34 C ATOM 721 O PHE A 45 4.463 4.671 8.005 1.00 5.45 O ATOM 722 CB PHE A 45 4.186 2.008 6.330 1.00 5.51 C ATOM 723 CG PHE A 45 5.623 1.525 6.374 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.865 0.185 6.780 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.734 2.395 6.176 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.218 -0.326 6.846 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.048 1.890 6.382 1.00 6.64 C ATOM 728 CZ PHE A 45 8.301 0.559 6.776 1.00 6.84 C ATOM 0 H PHE A 45 2.307 4.295 7.305 1.00 6.75 H new ATOM 0 HA PHE A 45 3.255 1.698 8.220 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.581 1.174 5.973 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.136 2.787 5.569 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.035 -0.456 7.041 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.581 3.421 5.875 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.392 -1.387 6.949 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.887 2.553 6.230 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.302 0.232 7.017 1.00 6.84 H new ATOM 738 N ALA A 46 4.934 3.065 9.461 1.00 6.53 N ATOM 739 CA ALA A 46 5.636 3.884 10.450 1.00 7.15 C ATOM 740 C ALA A 46 4.824 5.059 10.986 1.00 9.00 C ATOM 741 O ALA A 46 5.222 6.196 11.176 1.00 11.15 O ATOM 742 CB ALA A 46 7.033 4.166 10.043 1.00 8.99 C ATOM 0 H ALA A 46 4.930 2.075 9.706 1.00 6.53 H new ATOM 0 HA ALA A 46 5.740 3.281 11.352 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.518 4.776 10.805 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.576 3.227 9.930 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.034 4.702 9.094 1.00 8.99 H new ATOM 748 N GLY A 47 3.551 4.776 11.229 1.00 9.35 N ATOM 749 CA GLY A 47 2.585 5.816 11.730 1.00 11.68 C ATOM 750 C GLY A 47 2.271 6.897 10.753 1.00 11.14 C ATOM 751 O GLY A 47 1.732 7.910 11.144 1.00 13.93 O ATOM 0 H GLY A 47 3.140 3.852 11.097 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.656 5.322 12.015 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.996 6.269 12.633 1.00 11.68 H new ATOM 755 N LYS A 48 2.584 6.661 9.485 1.00 10.47 N ATOM 756 CA LYS A 48 2.490 7.687 8.386 1.00 8.82 C ATOM 757 C LYS A 48 1.665 7.152 7.282 1.00 7.68 C ATOM 758 O LYS A 48 1.717 6.002 6.888 1.00 6.47 O ATOM 759 CB LYS A 48 3.847 8.192 7.840 1.00 9.74 C ATOM 760 CG LYS A 48 3.804 9.188 6.692 1.00 14.14 C ATOM 761 CD LYS A 48 5.152 9.659 6.225 1.00 16.32 C ATOM 762 CE LYS A 48 5.822 10.739 7.146 1.00 20.04 C ATOM 763 NZ LYS A 48 7.182 11.108 6.538 1.00 23.92 N ATOM 0 H LYS A 48 2.916 5.753 9.160 1.00 10.47 H new ATOM 0 HA LYS A 48 2.024 8.563 8.838 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.394 8.649 8.664 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.424 7.326 7.515 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.281 8.732 5.851 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.218 10.053 7.000 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.818 8.799 6.152 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.051 10.069 5.220 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.187 11.622 7.221 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.950 10.351 8.157 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.645 11.824 7.133 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.781 10.260 6.487 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.042 11.491 5.581 1.00 23.92 H new ATOM 777 N GLN A 49 0.839 7.967 6.675 1.00 8.89 N ATOM 778 CA GLN A 49 -0.011 7.598 5.587 1.00 7.18 C ATOM 779 C GLN A 49 0.673 7.881 4.239 1.00 8.23 C ATOM 780 O GLN A 49 1.099 9.000 3.919 1.00 9.70 O ATOM 781 CB GLN A 49 -1.341 8.416 5.734 1.00 11.67 C ATOM 782 CG GLN A 49 -2.467 8.031 4.753 1.00 15.82 C ATOM 783 CD GLN A 49 -3.843 8.631 5.160 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.129 8.905 6.326 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.656 8.773 4.100 1.00 20.67 N ATOM 0 H GLN A 49 0.742 8.946 6.942 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.223 6.529 5.611 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.712 8.294 6.752 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.113 9.474 5.602 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.206 8.375 3.752 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.548 6.945 4.706 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.328 8.518 3.168 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.601 9.136 4.227 1.00 20.67 H new ATOM 794 N LEU A 50 0.846 6.829 3.404 1.00 6.51 N ATOM 795 CA LEU A 50 1.784 6.884 2.341 1.00 7.41 C ATOM 796 C LEU A 50 1.212 7.410 1.052 1.00 8.27 C ATOM 797 O LEU A 50 0.105 7.056 0.656 1.00 8.34 O ATOM 798 CB LEU A 50 2.516 5.512 2.028 1.00 7.13 C ATOM 799 CG LEU A 50 3.087 4.719 3.246 1.00 7.53 C ATOM 800 CD1 LEU A 50 4.026 3.557 2.722 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.775 5.603 4.307 1.00 9.11 C ATOM 0 H LEU A 50 0.333 5.950 3.474 1.00 6.51 H new ATOM 0 HA LEU A 50 2.521 7.588 2.728 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.813 4.865 1.502 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.337 5.715 1.341 1.00 7.13 H new ATOM 0 HG LEU A 50 2.241 4.283 3.778 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.426 3.002 3.570 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.451 2.884 2.086 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.848 3.984 2.148 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.144 4.976 5.119 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.610 6.135 3.851 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.058 6.323 4.701 1.00 9.11 H new ATOM 813 N GLU A 51 1.868 8.419 0.382 1.00 9.43 N ATOM 814 CA GLU A 51 1.258 9.144 -0.695 1.00 11.90 C ATOM 815 C GLU A 51 1.528 8.504 -2.073 1.00 11.49 C ATOM 816 O GLU A 51 2.572 7.994 -2.445 1.00 9.88 O ATOM 817 CB GLU A 51 1.658 10.622 -0.611 1.00 16.56 C ATOM 818 CG GLU A 51 1.177 11.659 -1.716 1.00 26.06 C ATOM 819 CD GLU A 51 1.825 12.937 -1.377 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.345 13.642 -0.474 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.966 13.268 -1.906 1.00 32.13 O ATOM 0 H GLU A 51 2.819 8.718 0.600 1.00 9.43 H new ATOM 0 HA GLU A 51 0.175 9.089 -0.585 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.308 10.994 0.352 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.747 10.658 -0.590 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.464 11.328 -2.714 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.092 11.758 -1.713 1.00 26.06 H new ATOM 828 N ASP A 52 0.446 8.476 -2.975 1.00 12.71 N ATOM 829 CA ASP A 52 0.350 7.735 -4.180 1.00 16.56 C ATOM 830 C ASP A 52 1.524 7.881 -5.157 1.00 15.83 C ATOM 831 O ASP A 52 2.091 6.852 -5.589 1.00 17.21 O ATOM 832 CB ASP A 52 -0.922 8.110 -4.991 1.00 21.05 C ATOM 833 CG ASP A 52 -2.113 7.793 -4.056 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.375 6.635 -3.698 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.800 8.799 -3.612 1.00 25.82 O ATOM 0 H ASP A 52 -0.395 9.027 -2.804 1.00 12.71 H new ATOM 0 HA ASP A 52 0.333 6.709 -3.812 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.913 9.163 -5.272 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.983 7.534 -5.914 1.00 21.05 H new ATOM 840 N GLY A 53 1.921 9.158 -5.512 1.00 15.00 N ATOM 841 CA GLY A 53 3.099 9.342 -6.473 1.00 11.77 C ATOM 842 C GLY A 53 4.477 9.156 -5.942 1.00 11.10 C ATOM 843 O GLY A 53 5.422 9.349 -6.684 1.00 11.25 O ATOM 0 H GLY A 53 1.487 10.020 -5.181 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.965 8.646 -7.301 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.035 10.348 -6.889 1.00 11.77 H new ATOM 847 N ARG A 54 4.621 8.790 -4.655 1.00 8.53 N ATOM 848 CA ARG A 54 5.937 8.758 -4.046 1.00 9.05 C ATOM 849 C ARG A 54 6.359 7.322 -4.080 1.00 8.96 C ATOM 850 O ARG A 54 5.595 6.353 -4.213 1.00 11.60 O ATOM 851 CB ARG A 54 5.819 9.212 -2.529 1.00 7.97 C ATOM 852 CG ARG A 54 5.292 10.613 -2.267 1.00 9.62 C ATOM 853 CD ARG A 54 6.318 11.724 -2.707 1.00 12.20 C ATOM 854 NE ARG A 54 5.700 12.984 -2.278 1.00 18.23 N ATOM 855 CZ ARG A 54 6.284 14.155 -2.563 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.534 14.228 -3.016 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.550 15.329 -2.512 1.00 23.38 N ATOM 0 H ARG A 54 3.854 8.520 -4.040 1.00 8.53 H new ATOM 0 HA ARG A 54 6.640 9.412 -4.561 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.170 8.504 -2.013 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.806 9.131 -2.073 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.354 10.753 -2.804 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.071 10.724 -1.205 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.289 11.577 -2.235 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.482 11.709 -3.784 1.00 12.20 H new ATOM 0 HE ARG A 54 4.821 12.968 -1.760 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.076 13.376 -3.156 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.949 15.136 -3.223 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.563 15.303 -2.257 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.997 16.220 -2.729 1.00 23.38 H new ATOM 871 N THR A 55 7.707 7.159 -3.924 1.00 9.05 N ATOM 872 CA THR A 55 8.318 5.820 -4.125 1.00 9.03 C ATOM 873 C THR A 55 8.589 5.129 -2.805 1.00 8.15 C ATOM 874 O THR A 55 8.746 5.765 -1.739 1.00 5.91 O ATOM 875 CB THR A 55 9.657 5.962 -4.821 1.00 11.15 C ATOM 876 OG1 THR A 55 10.674 6.565 -4.077 1.00 11.95 O ATOM 877 CG2 THR A 55 9.624 6.691 -6.201 1.00 11.71 C ATOM 0 H THR A 55 8.359 7.902 -3.672 1.00 9.05 H new ATOM 0 HA THR A 55 7.613 5.237 -4.718 1.00 9.03 H new ATOM 0 HB THR A 55 9.888 4.906 -4.962 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.401 7.472 -3.825 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.633 6.738 -6.612 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.978 6.143 -6.887 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.238 7.702 -6.069 1.00 11.71 H new ATOM 885 N LEU A 56 8.714 3.758 -2.775 1.00 6.91 N ATOM 886 CA LEU A 56 9.016 2.996 -1.587 1.00 8.29 C ATOM 887 C LEU A 56 10.318 3.416 -0.898 1.00 8.05 C ATOM 888 O LEU A 56 10.368 3.342 0.302 1.00 10.17 O ATOM 889 CB LEU A 56 8.929 1.548 -2.002 1.00 6.60 C ATOM 890 CG LEU A 56 7.562 0.835 -2.135 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.713 -0.701 -2.262 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.494 1.205 -1.111 1.00 8.64 C ATOM 0 H LEU A 56 8.599 3.177 -3.606 1.00 6.91 H new ATOM 0 HA LEU A 56 8.299 3.190 -0.789 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.428 1.463 -2.967 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.519 0.975 -1.286 1.00 6.60 H new ATOM 0 HG LEU A 56 7.173 1.235 -3.071 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.727 -1.157 -2.353 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.305 -0.937 -3.147 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.213 -1.092 -1.376 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.585 0.638 -1.312 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.854 0.970 -0.109 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.279 2.271 -1.179 1.00 8.64 H new ATOM 904 N SER A 57 11.266 3.879 -1.645 1.00 8.92 N ATOM 905 CA SER A 57 12.536 4.401 -1.160 1.00 9.00 C ATOM 906 C SER A 57 12.473 5.738 -0.351 1.00 9.44 C ATOM 907 O SER A 57 13.186 5.971 0.628 1.00 10.91 O ATOM 908 CB SER A 57 13.407 4.672 -2.405 1.00 10.32 C ATOM 909 OG SER A 57 14.719 5.068 -2.025 1.00 13.59 O ATOM 0 H SER A 57 11.188 3.912 -2.662 1.00 8.92 H new ATOM 0 HA SER A 57 12.923 3.653 -0.468 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.457 3.775 -3.022 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.948 5.452 -3.013 1.00 10.32 H new ATOM 0 HG SER A 57 15.256 5.234 -2.828 1.00 13.59 H new ATOM 915 N ASP A 58 11.485 6.619 -0.746 1.00 9.11 N ATOM 916 CA ASP A 58 11.120 7.787 0.034 1.00 7.91 C ATOM 917 C ASP A 58 10.700 7.482 1.501 1.00 9.12 C ATOM 918 O ASP A 58 10.878 8.341 2.387 1.00 8.61 O ATOM 919 CB ASP A 58 9.958 8.576 -0.624 1.00 8.41 C ATOM 920 CG ASP A 58 10.367 9.110 -1.964 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.294 9.937 -1.903 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.729 8.913 -3.053 1.00 11.70 O ATOM 0 H ASP A 58 10.947 6.511 -1.606 1.00 9.11 H new ATOM 0 HA ASP A 58 12.037 8.375 0.057 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.090 7.927 -0.736 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.659 9.399 0.024 1.00 8.41 H new ATOM 927 N TYR A 59 10.144 6.298 1.761 1.00 7.97 N ATOM 928 CA TYR A 59 9.717 5.780 3.069 1.00 8.45 C ATOM 929 C TYR A 59 10.633 4.792 3.770 1.00 10.98 C ATOM 930 O TYR A 59 10.359 4.214 4.790 1.00 12.95 O ATOM 931 CB TYR A 59 8.345 5.043 2.833 1.00 7.94 C ATOM 932 CG TYR A 59 7.378 6.060 2.322 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.929 7.092 3.209 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.816 5.966 1.021 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.023 7.991 2.815 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.971 6.988 0.535 1.00 6.52 C ATOM 937 CZ TYR A 59 5.542 7.985 1.485 1.00 6.76 C ATOM 938 OH TYR A 59 4.517 8.844 1.091 1.00 7.63 O ATOM 0 H TYR A 59 9.966 5.626 1.014 1.00 7.97 H new ATOM 0 HA TYR A 59 9.691 6.650 3.725 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.463 4.231 2.116 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.982 4.599 3.760 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.329 7.144 4.211 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.036 5.110 0.401 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.656 8.726 3.516 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.661 7.021 -0.499 1.00 6.52 H new ATOM 0 HH TYR A 59 4.624 9.068 0.143 1.00 7.63 H new ATOM 948 N ASN A 60 11.824 4.525 3.123 1.00 12.38 N ATOM 949 CA ASN A 60 12.822 3.573 3.623 1.00 13.94 C ATOM 950 C ASN A 60 12.333 2.143 3.873 1.00 14.16 C ATOM 951 O ASN A 60 12.716 1.452 4.853 1.00 14.26 O ATOM 952 CB ASN A 60 13.496 4.044 4.958 1.00 19.23 C ATOM 953 CG ASN A 60 13.853 5.504 4.826 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.238 6.331 5.500 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.893 5.818 4.039 1.00 24.09 N ATOM 0 H ASN A 60 12.093 4.974 2.248 1.00 12.38 H new ATOM 0 HA ASN A 60 13.526 3.553 2.791 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.818 3.895 5.798 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.389 3.453 5.160 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.212 6.785 3.977 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.365 5.090 3.503 1.00 24.09 H new ATOM 962 N ILE A 61 11.438 1.662 2.968 1.00 11.08 N ATOM 963 CA ILE A 61 10.850 0.376 3.112 1.00 11.78 C ATOM 964 C ILE A 61 11.738 -0.759 2.805 1.00 13.74 C ATOM 965 O ILE A 61 12.468 -0.772 1.873 1.00 14.60 O ATOM 966 CB ILE A 61 9.571 0.387 2.321 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.571 1.163 3.217 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.034 -0.979 1.923 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.350 1.625 2.496 1.00 11.42 C ATOM 0 H ILE A 61 11.132 2.176 2.142 1.00 11.08 H new ATOM 0 HA ILE A 61 10.641 0.197 4.167 1.00 11.78 H new ATOM 0 HB ILE A 61 9.741 0.854 1.351 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.271 0.525 4.048 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.077 2.028 3.646 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.110 -0.856 1.357 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.771 -1.494 1.307 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.835 -1.567 2.819 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.699 2.159 3.188 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.638 2.290 1.682 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.819 0.764 2.090 1.00 11.42 H new ATOM 981 N GLN A 62 11.657 -1.754 3.720 1.00 13.97 N ATOM 982 CA GLN A 62 12.587 -2.846 3.692 1.00 15.52 C ATOM 983 C GLN A 62 11.916 -4.093 3.158 1.00 13.94 C ATOM 984 O GLN A 62 10.673 -4.183 3.003 1.00 12.15 O ATOM 985 CB GLN A 62 13.094 -3.127 5.114 1.00 19.53 C ATOM 986 CG GLN A 62 13.962 -2.061 5.840 1.00 26.38 C ATOM 987 CD GLN A 62 15.131 -1.676 4.974 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.941 -2.485 4.478 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.334 -0.317 4.912 1.00 32.71 N ATOM 0 H GLN A 62 10.961 -1.800 4.464 1.00 13.97 H new ATOM 0 HA GLN A 62 13.421 -2.577 3.043 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.223 -3.320 5.740 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.672 -4.050 5.079 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.360 -1.181 6.065 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.318 -2.456 6.792 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.654 0.320 5.327 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.165 0.054 4.451 1.00 32.71 H new ATOM 998 N LYS A 63 12.738 -5.087 2.855 1.00 11.73 N ATOM 999 CA LYS A 63 12.224 -6.394 2.470 1.00 11.97 C ATOM 1000 C LYS A 63 11.459 -7.030 3.627 1.00 10.41 C ATOM 1001 O LYS A 63 11.732 -6.853 4.827 1.00 9.59 O ATOM 1002 CB LYS A 63 13.365 -7.307 1.968 1.00 13.73 C ATOM 1003 CG LYS A 63 14.159 -8.158 2.933 1.00 16.98 C ATOM 1004 CD LYS A 63 15.461 -8.744 2.294 1.00 20.19 C ATOM 1005 CE LYS A 63 16.137 -9.922 2.971 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.838 -9.479 4.223 1.00 25.97 N ATOM 0 H LYS A 63 13.755 -5.016 2.868 1.00 11.73 H new ATOM 0 HA LYS A 63 11.525 -6.264 1.644 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.933 -7.981 1.228 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.077 -6.670 1.443 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.425 -7.559 3.804 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.533 -8.977 3.288 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.223 -9.041 1.273 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.190 -7.936 2.229 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.396 -10.684 3.212 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.854 -10.379 2.288 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.295 -10.298 4.673 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.559 -8.768 3.984 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.147 -9.064 4.880 1.00 25.97 H new ATOM 1020 N GLU A 64 10.396 -7.749 3.283 1.00 10.04 N ATOM 1021 CA GLU A 64 9.467 -8.401 4.124 1.00 10.94 C ATOM 1022 C GLU A 64 8.727 -7.516 5.095 1.00 9.74 C ATOM 1023 O GLU A 64 8.410 -7.907 6.223 1.00 9.42 O ATOM 1024 CB GLU A 64 10.004 -9.724 4.691 1.00 18.31 C ATOM 1025 CG GLU A 64 10.372 -10.710 3.522 1.00 24.16 C ATOM 1026 CD GLU A 64 10.854 -12.058 3.957 1.00 29.00 C ATOM 1027 OE1 GLU A 64 9.910 -12.814 4.381 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.056 -12.396 3.882 1.00 32.61 O ATOM 0 H GLU A 64 10.163 -7.888 2.300 1.00 10.04 H new ATOM 0 HA GLU A 64 8.651 -8.697 3.464 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.884 -9.534 5.306 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.255 -10.180 5.339 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.495 -10.842 2.889 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.143 -10.247 2.906 1.00 24.16 H new ATOM 1035 N SER A 65 8.574 -6.233 4.745 1.00 6.85 N ATOM 1036 CA SER A 65 7.833 -5.262 5.581 1.00 6.90 C ATOM 1037 C SER A 65 6.325 -5.368 5.546 1.00 4.72 C ATOM 1038 O SER A 65 5.848 -5.588 4.450 1.00 3.91 O ATOM 1039 CB SER A 65 8.113 -3.827 5.151 1.00 7.28 C ATOM 1040 OG SER A 65 9.508 -3.521 5.219 1.00 10.56 O ATOM 0 H SER A 65 8.953 -5.835 3.886 1.00 6.85 H new ATOM 0 HA SER A 65 8.192 -5.509 6.580 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.756 -3.675 4.132 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.557 -3.140 5.789 1.00 7.28 H new ATOM 0 HG SER A 65 9.859 -3.390 4.313 1.00 10.56 H new ATOM 1046 N THR A 66 5.665 -5.172 6.676 1.00 4.48 N ATOM 1047 CA THR A 66 4.168 -5.207 6.673 1.00 3.80 C ATOM 1048 C THR A 66 3.764 -3.774 6.617 1.00 4.60 C ATOM 1049 O THR A 66 4.214 -2.882 7.301 1.00 5.33 O ATOM 1050 CB THR A 66 3.546 -5.867 7.891 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.741 -7.251 7.883 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.017 -5.618 7.826 1.00 3.40 C ATOM 0 H THR A 66 6.097 -4.993 7.583 1.00 4.48 H new ATOM 0 HA THR A 66 3.819 -5.809 5.834 1.00 3.80 H new ATOM 0 HB THR A 66 4.007 -5.451 8.787 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.330 -7.644 8.681 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.536 -6.080 8.688 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.822 -4.546 7.833 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.616 -6.053 6.911 1.00 3.40 H new ATOM 1060 N LEU A 67 2.861 -3.462 5.617 1.00 4.17 N ATOM 1061 CA LEU A 67 2.294 -2.226 5.308 1.00 3.85 C ATOM 1062 C LEU A 67 0.828 -2.388 5.783 1.00 3.80 C ATOM 1063 O LEU A 67 0.243 -3.500 5.774 1.00 5.54 O ATOM 1064 CB LEU A 67 2.390 -1.859 3.757 1.00 7.18 C ATOM 1065 CG LEU A 67 3.633 -1.182 3.139 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.996 -1.873 3.285 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.312 -0.984 1.656 1.00 11.66 C ATOM 0 H LEU A 67 2.523 -4.188 4.985 1.00 4.17 H new ATOM 0 HA LEU A 67 2.815 -1.399 5.790 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.235 -2.787 3.207 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.541 -1.212 3.537 1.00 7.18 H new ATOM 0 HG LEU A 67 3.786 -0.267 3.711 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.763 -1.271 2.798 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.237 -1.982 4.342 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.957 -2.857 2.819 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.158 -0.506 1.161 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.120 -1.952 1.193 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.429 -0.352 1.556 1.00 11.66 H new ATOM 1079 N HIS A 68 0.124 -1.329 6.227 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.216 -1.524 6.763 1.00 4.17 C ATOM 1081 C HIS A 68 -2.174 -0.883 5.742 1.00 5.32 C ATOM 1082 O HIS A 68 -2.085 0.254 5.488 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.374 -0.830 8.089 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.248 -1.221 9.066 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.929 -0.565 9.119 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.201 -2.205 9.909 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.702 -1.291 10.003 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.082 -2.319 10.468 1.00 16.30 N ATOM 0 H HIS A 68 0.455 -0.364 6.223 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.418 -2.583 6.920 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.369 0.250 7.939 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.340 -1.087 8.523 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.191 0.283 8.616 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.034 -2.849 10.148 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.713 -1.026 10.274 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.093 -1.658 5.094 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.158 -1.139 4.281 1.00 3.97 C ATOM 1098 C LEU A 69 -5.431 -0.869 5.122 1.00 5.07 C ATOM 1099 O LEU A 69 -5.947 -1.729 5.730 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.624 -2.192 3.245 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.669 -1.769 2.178 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.213 -0.478 1.415 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.025 -2.849 1.191 1.00 9.96 C ATOM 0 H LEU A 69 -3.086 -2.677 5.144 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.760 -0.234 3.822 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.740 -2.553 2.719 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.036 -3.038 3.795 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.576 -1.562 2.745 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.966 -0.208 0.675 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.092 0.340 2.125 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.264 -0.668 0.914 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.760 -2.467 0.483 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.130 -3.159 0.652 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.443 -3.704 1.722 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.966 0.335 5.016 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.166 0.863 5.519 1.00 6.26 C ATOM 1117 C VAL A 70 -8.205 1.123 4.402 1.00 9.22 C ATOM 1118 O VAL A 70 -7.962 1.892 3.493 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.940 2.022 6.466 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.291 2.522 6.945 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.084 1.652 7.642 1.00 8.54 C ATOM 0 H VAL A 70 -5.468 1.052 4.488 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.623 0.096 6.144 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.404 2.802 5.925 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.148 3.358 7.629 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.882 2.850 6.090 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.815 1.717 7.460 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.956 2.522 8.287 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.564 0.851 8.204 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.109 1.314 7.290 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.324 0.437 4.432 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.498 0.561 3.546 1.00 16.06 C ATOM 1133 C LEU A 71 -11.386 1.820 3.850 1.00 18.09 C ATOM 1134 O LEU A 71 -12.159 1.815 4.814 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.320 -0.794 3.699 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.675 -0.822 2.884 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.494 -0.729 1.338 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.513 -2.075 3.233 1.00 19.57 C ATOM 0 H LEU A 71 -9.466 -0.291 5.133 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.167 0.715 2.519 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.695 -1.625 3.372 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.540 -0.956 4.754 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.205 0.079 3.192 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.471 -0.755 0.855 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.989 0.204 1.086 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.895 -1.571 0.990 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.438 -2.066 2.657 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.944 -2.972 2.991 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.748 -2.071 4.297 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.299 2.886 3.045 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.099 4.099 3.185 1.00 25.83 C ATOM 1152 C ARG A 72 -13.469 3.980 2.548 1.00 27.74 C ATOM 1153 O ARG A 72 -13.647 4.221 1.359 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.375 5.259 2.552 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.988 6.692 2.819 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.334 7.803 2.029 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.099 9.015 2.262 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.173 10.097 1.477 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.384 10.331 0.392 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.088 10.985 1.824 1.00 35.02 N ATOM 0 H ARG A 72 -10.651 2.925 2.258 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.241 4.258 4.254 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.345 5.255 2.907 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.341 5.096 1.475 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.052 6.670 2.581 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.903 6.919 3.882 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.299 7.937 2.342 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.317 7.559 0.967 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.643 9.046 3.124 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.670 9.653 0.125 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.507 11.184 -0.154 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.676 10.819 2.641 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.206 11.837 1.275 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.430 3.682 3.451 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.830 3.454 3.059 1.00 30.76 C ATOM 1176 C LEU A 73 -16.525 4.647 2.415 1.00 32.18 C ATOM 1177 O LEU A 73 -16.664 5.719 3.021 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.697 2.906 4.293 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.327 1.476 4.753 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.183 1.075 5.966 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.455 0.307 3.716 1.00 29.11 C ATOM 0 H LEU A 73 -14.258 3.595 4.453 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.772 2.695 2.279 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.577 3.587 5.135 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.751 2.923 4.016 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.261 1.576 4.959 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.916 0.067 6.283 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.003 1.772 6.784 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.238 1.101 5.692 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.161 -0.631 4.187 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.488 0.234 3.376 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.805 0.504 2.863 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.019 4.460 1.170 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.533 5.591 0.399 1.00 35.33 C ATOM 1195 C ARG A 74 -18.913 6.034 0.990 1.00 36.22 C ATOM 1196 O ARG A 74 -19.311 7.243 0.965 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.804 5.183 -1.144 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.560 5.041 -1.969 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.794 4.736 -3.434 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.427 4.926 -4.193 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.306 4.476 -5.454 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.882 3.378 -5.788 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.411 5.070 -6.266 1.00 41.93 N ATOM 0 H ARG A 74 -17.068 3.558 0.696 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.788 6.385 0.451 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.352 4.241 -1.168 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.445 5.937 -1.600 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.985 5.964 -1.893 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.947 4.247 -1.542 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.160 3.717 -3.558 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.554 5.400 -3.845 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.642 5.386 -3.732 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.425 2.857 -5.099 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.797 3.027 -6.742 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.843 5.843 -5.920 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.301 4.746 -7.227 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.763 5.091 1.477 1.00 36.31 N ATOM 1218 CA GLY A 75 -21.166 5.328 1.889 1.00 36.07 C ATOM 1219 C GLY A 75 -21.322 5.819 3.280 1.00 36.16 C ATOM 1220 O GLY A 75 -22.413 6.077 3.703 1.00 36.26 O ATOM 0 H GLY A 75 -19.479 4.118 1.596 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.614 6.052 1.209 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.726 4.399 1.780 1.00 36.07 H new ATOM 1224 N GLY A 76 -20.229 5.931 4.016 1.00 36.05 N ATOM 1225 CA GLY A 76 -20.207 6.376 5.424 1.00 36.19 C ATOM 1226 C GLY A 76 -18.948 7.199 5.740 1.00 36.20 C ATOM 1227 O GLY A 76 -18.623 8.289 5.191 1.00 0.00 O ATOM 1228 OXT GLY A 76 -18.204 6.760 6.674 1.00 0.00 O ATOM 0 H GLY A 76 -19.301 5.712 3.653 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -21.094 6.974 5.631 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -20.248 5.507 6.081 1.00 36.19 H new TER 1232 GLY A 76