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 22 THR OG1 : rot 180:sc= 0.464 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.5 K(o=0.96,f=0.043) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0661 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 178:sc= 0.997 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 0.879 USER MOD Single : A 1 MET CE :methyl -179:sc=-0.000784 (180deg=-0.00097) USER MOD Single : A 1 MET N :NH3+ -157:sc= 2.43 (180deg=2.28) USER MOD Single : A 2 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00217) 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+ 168:sc= 1.13 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0311 K(o=-0.031,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 41 GLN : amide:sc= 0.133 K(o=0.13,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -32:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 138:sc= 0.375 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.627 K(o=0.63,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0764) 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 HE2:sc= 0.106 K(o=0.11,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.612 -7.201 -5.273 1.00 9.67 N ATOM 2 CA MET A 1 10.893 -7.659 -3.954 1.00 10.38 C ATOM 3 C MET A 1 9.638 -7.997 -3.239 1.00 9.62 C ATOM 4 O MET A 1 8.590 -7.459 -3.572 1.00 9.62 O ATOM 5 CB MET A 1 11.859 -6.610 -3.301 1.00 13.77 C ATOM 6 CG MET A 1 11.232 -5.312 -2.675 1.00 16.29 C ATOM 7 SD MET A 1 12.568 -4.186 -2.149 1.00 17.17 S ATOM 8 CE MET A 1 11.602 -2.961 -1.209 1.00 16.11 C ATOM 0 H1 MET A 1 11.449 -7.339 -5.874 1.00 9.67 H new ATOM 0 H2 MET A 1 9.813 -7.739 -5.664 1.00 9.67 H new ATOM 0 H3 MET A 1 10.368 -6.190 -5.245 1.00 9.67 H new ATOM 0 HA MET A 1 11.426 -8.609 -3.919 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.423 -7.118 -2.519 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.577 -6.300 -4.061 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.590 -4.817 -3.404 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.604 -5.573 -1.823 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.268 -2.186 -0.830 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.854 -2.510 -1.861 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.105 -3.453 -0.373 1.00 16.11 H new ATOM 20 N GLN A 2 9.706 -8.912 -2.308 1.00 9.27 N ATOM 21 CA GLN A 2 8.538 -9.359 -1.579 1.00 9.07 C ATOM 22 C GLN A 2 8.101 -8.488 -0.449 1.00 8.72 C ATOM 23 O GLN A 2 8.983 -8.113 0.276 1.00 8.22 O ATOM 24 CB GLN A 2 9.076 -10.742 -1.027 1.00 14.46 C ATOM 25 CG GLN A 2 8.240 -11.495 -0.004 1.00 17.01 C ATOM 26 CD GLN A 2 8.772 -12.864 0.173 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.292 -13.304 1.211 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.721 -13.677 -0.912 1.00 19.49 N ATOM 0 H GLN A 2 10.573 -9.372 -2.030 1.00 9.27 H new ATOM 0 HA GLN A 2 7.647 -9.379 -2.207 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.227 -11.402 -1.881 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.056 -10.563 -0.585 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.252 -10.965 0.949 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.201 -11.539 -0.332 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.300 -13.344 -1.779 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.104 -14.621 -0.860 1.00 19.49 H new ATOM 37 N ILE A 3 6.747 -8.298 -0.244 1.00 5.87 N ATOM 38 CA ILE A 3 6.204 -7.431 0.811 1.00 5.07 C ATOM 39 C ILE A 3 4.932 -8.045 1.268 1.00 4.01 C ATOM 40 O ILE A 3 4.288 -8.771 0.532 1.00 4.61 O ATOM 41 CB ILE A 3 5.929 -5.995 0.474 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.888 -5.799 -0.704 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.269 -5.284 0.131 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.416 -4.363 -0.916 1.00 10.83 C ATOM 0 H ILE A 3 6.029 -8.748 -0.813 1.00 5.87 H new ATOM 0 HA ILE A 3 6.995 -7.376 1.559 1.00 5.07 H new ATOM 0 HB ILE A 3 5.467 -5.547 1.354 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.338 -6.158 -1.630 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.018 -6.426 -0.508 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.074 -4.240 -0.115 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.939 -5.336 0.989 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.734 -5.777 -0.723 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.707 -4.331 -1.743 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.932 -4.001 -0.009 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.272 -3.729 -1.148 1.00 10.83 H new ATOM 56 N PHE A 4 4.560 -7.689 2.509 1.00 4.55 N ATOM 57 CA PHE A 4 3.353 -8.133 3.171 1.00 4.68 C ATOM 58 C PHE A 4 2.394 -6.947 3.515 1.00 5.30 C ATOM 59 O PHE A 4 2.849 -5.947 3.956 1.00 5.58 O ATOM 60 CB PHE A 4 3.714 -8.888 4.485 1.00 4.83 C ATOM 61 CG PHE A 4 4.712 -9.983 4.198 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.386 -10.990 3.307 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.898 -10.117 4.883 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.351 -12.016 2.967 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.810 -11.156 4.710 1.00 10.61 C ATOM 66 CZ PHE A 4 6.551 -12.108 3.705 1.00 8.90 C ATOM 0 H PHE A 4 5.121 -7.062 3.086 1.00 4.55 H new ATOM 0 HA PHE A 4 2.835 -8.797 2.479 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.128 -8.190 5.212 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.814 -9.313 4.928 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.403 -11.012 2.861 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.141 -9.358 5.611 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.154 -12.703 2.157 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.691 -11.229 5.330 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.260 -12.897 3.502 1.00 8.90 H new ATOM 76 N VAL A 5 1.082 -7.055 3.256 1.00 4.44 N ATOM 77 CA VAL A 5 0.146 -5.962 3.452 1.00 3.87 C ATOM 78 C VAL A 5 -0.889 -6.584 4.300 1.00 4.93 C ATOM 79 O VAL A 5 -1.350 -7.700 4.040 1.00 6.84 O ATOM 80 CB VAL A 5 -0.502 -5.456 2.170 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.388 -4.264 2.546 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.630 -5.054 1.234 1.00 9.13 C ATOM 0 H VAL A 5 0.649 -7.909 2.904 1.00 4.44 H new ATOM 0 HA VAL A 5 0.647 -5.088 3.869 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.123 -6.202 1.673 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.871 -3.873 1.651 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.149 -4.586 3.257 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.776 -3.484 2.998 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.213 -4.683 0.297 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.227 -4.271 1.701 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.261 -5.920 1.033 1.00 9.13 H new ATOM 92 N LYS A 6 -1.306 -5.957 5.429 1.00 6.04 N ATOM 93 CA LYS A 6 -2.240 -6.556 6.333 1.00 6.12 C ATOM 94 C LYS A 6 -3.497 -5.727 6.371 1.00 6.57 C ATOM 95 O LYS A 6 -3.392 -4.495 6.294 1.00 5.76 O ATOM 96 CB LYS A 6 -1.577 -6.485 7.734 1.00 7.45 C ATOM 97 CG LYS A 6 -0.628 -7.666 7.892 1.00 11.12 C ATOM 98 CD LYS A 6 0.033 -7.786 9.228 1.00 14.54 C ATOM 99 CE LYS A 6 1.108 -8.837 9.395 1.00 18.84 C ATOM 100 NZ LYS A 6 0.496 -10.151 9.280 1.00 20.55 N ATOM 0 H LYS A 6 -0.989 -5.029 5.710 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.486 -7.575 6.035 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.033 -5.547 7.846 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.339 -6.507 8.513 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.182 -8.584 7.697 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.146 -7.592 7.128 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.471 -6.818 9.472 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.743 -7.981 9.968 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.880 -8.712 8.636 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.594 -8.730 10.365 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.230 -10.884 9.359 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.202 -10.277 10.041 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.022 -10.234 8.358 1.00 20.55 H new ATOM 114 N THR A 7 -4.639 -6.397 6.315 1.00 7.41 N ATOM 115 CA THR A 7 -5.926 -5.744 6.086 1.00 7.48 C ATOM 116 C THR A 7 -6.722 -5.598 7.324 1.00 8.75 C ATOM 117 O THR A 7 -6.426 -6.073 8.430 1.00 8.58 O ATOM 118 CB THR A 7 -6.823 -6.420 5.056 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.255 -7.713 5.471 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.022 -6.649 3.858 1.00 9.17 C ATOM 0 H THR A 7 -4.703 -7.409 6.427 1.00 7.41 H new ATOM 0 HA THR A 7 -5.624 -4.772 5.696 1.00 7.48 H new ATOM 0 HB THR A 7 -7.689 -5.776 4.904 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.828 -8.104 4.779 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.635 -7.133 3.098 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.657 -5.695 3.477 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.175 -7.290 4.104 1.00 9.17 H new ATOM 128 N LEU A 8 -7.812 -4.800 7.266 1.00 9.84 N ATOM 129 CA LEU A 8 -8.713 -4.519 8.416 1.00 14.15 C ATOM 130 C LEU A 8 -9.593 -5.701 8.788 1.00 17.37 C ATOM 131 O LEU A 8 -10.160 -5.840 9.841 1.00 17.01 O ATOM 132 CB LEU A 8 -9.745 -3.412 8.034 1.00 16.63 C ATOM 133 CG LEU A 8 -9.165 -1.986 7.637 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.104 -1.069 6.843 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.674 -1.243 8.832 1.00 18.59 C ATOM 0 H LEU A 8 -8.098 -4.325 6.410 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.043 -4.247 9.232 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.341 -3.779 7.198 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.425 -3.278 8.876 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.347 -2.238 6.962 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.599 -0.127 6.631 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.378 -1.553 5.906 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.003 -0.875 7.428 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.285 -0.273 8.523 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.496 -1.097 9.533 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.882 -1.814 9.316 1.00 18.59 H new ATOM 147 N THR A 9 -9.725 -6.631 7.781 1.00 18.33 N ATOM 148 CA THR A 9 -10.438 -7.822 7.970 1.00 19.24 C ATOM 149 C THR A 9 -9.546 -9.084 8.145 1.00 19.48 C ATOM 150 O THR A 9 -10.096 -10.169 8.180 1.00 23.14 O ATOM 151 CB THR A 9 -11.413 -8.161 6.867 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.803 -8.214 5.599 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.505 -7.088 6.831 1.00 19.70 C ATOM 0 H THR A 9 -9.324 -6.523 6.849 1.00 18.33 H new ATOM 0 HA THR A 9 -10.973 -7.595 8.892 1.00 19.24 H new ATOM 0 HB THR A 9 -11.820 -9.149 7.083 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.475 -8.438 4.922 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.217 -7.320 6.039 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.024 -7.064 7.789 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.053 -6.115 6.639 1.00 19.70 H new ATOM 161 N GLY A 10 -8.182 -8.928 8.295 1.00 19.43 N ATOM 162 CA GLY A 10 -7.329 -9.956 8.865 1.00 18.74 C ATOM 163 C GLY A 10 -6.511 -10.822 7.932 1.00 17.62 C ATOM 164 O GLY A 10 -5.835 -11.739 8.427 1.00 19.74 O ATOM 0 H GLY A 10 -7.681 -8.084 8.017 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.639 -9.468 9.553 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.960 -10.616 9.460 1.00 18.74 H new ATOM 168 N LYS A 11 -6.545 -10.546 6.588 1.00 13.56 N ATOM 169 CA LYS A 11 -5.669 -11.235 5.620 1.00 11.91 C ATOM 170 C LYS A 11 -4.300 -10.575 5.461 1.00 10.18 C ATOM 171 O LYS A 11 -4.163 -9.370 5.720 1.00 9.10 O ATOM 172 CB LYS A 11 -6.379 -11.207 4.212 1.00 13.43 C ATOM 173 CG LYS A 11 -5.856 -12.249 3.161 1.00 16.69 C ATOM 174 CD LYS A 11 -6.695 -12.298 1.858 1.00 17.92 C ATOM 175 CE LYS A 11 -5.863 -12.945 0.767 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.319 -14.265 0.971 1.00 21.93 N ATOM 0 H LYS A 11 -7.168 -9.856 6.169 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.506 -12.245 5.996 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.446 -11.374 4.361 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.269 -10.208 3.791 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.823 -12.009 2.908 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.851 -13.239 3.616 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.612 -12.865 2.020 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.991 -11.292 1.561 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.477 -12.981 -0.133 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.028 -12.278 0.556 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -4.794 -14.559 0.123 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -4.677 -14.253 1.789 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.093 -14.936 1.149 1.00 21.93 H new ATOM 190 N THR A 12 -3.271 -11.334 5.144 1.00 9.63 N ATOM 191 CA THR A 12 -1.966 -10.764 4.848 1.00 9.85 C ATOM 192 C THR A 12 -1.698 -11.062 3.339 1.00 11.66 C ATOM 193 O THR A 12 -1.761 -12.206 2.925 1.00 12.33 O ATOM 194 CB THR A 12 -0.849 -11.357 5.685 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.030 -11.069 7.095 1.00 10.91 O ATOM 196 CG2 THR A 12 0.545 -10.924 5.255 1.00 9.63 C ATOM 0 H THR A 12 -3.310 -12.351 5.084 1.00 9.63 H new ATOM 0 HA THR A 12 -1.978 -9.699 5.079 1.00 9.85 H new ATOM 0 HB THR A 12 -0.916 -12.432 5.516 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.790 -11.859 7.624 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.287 -11.391 5.903 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.719 -11.231 4.224 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.629 -9.840 5.330 1.00 9.63 H new ATOM 204 N ILE A 13 -1.500 -10.001 2.538 1.00 10.42 N ATOM 205 CA ILE A 13 -1.437 -10.016 1.113 1.00 11.84 C ATOM 206 C ILE A 13 0.024 -10.011 0.715 1.00 10.55 C ATOM 207 O ILE A 13 0.729 -9.047 1.005 1.00 11.92 O ATOM 208 CB ILE A 13 -2.050 -8.794 0.455 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.420 -8.343 1.099 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.233 -9.118 -1.066 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.924 -6.955 0.670 1.00 16.46 C ATOM 0 H ILE A 13 -1.375 -9.063 2.918 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.992 -10.896 0.788 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.377 -7.950 0.606 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.181 -9.081 0.847 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.313 -8.353 2.184 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.673 -8.258 -1.571 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.263 -9.342 -1.510 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.891 -9.980 -1.178 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.870 -6.741 1.168 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.189 -6.199 0.947 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.071 -6.939 -0.410 1.00 16.46 H new ATOM 223 N THR A 14 0.592 -11.074 0.117 1.00 9.39 N ATOM 224 CA THR A 14 1.937 -11.085 -0.429 1.00 9.63 C ATOM 225 C THR A 14 1.966 -10.478 -1.812 1.00 11.20 C ATOM 226 O THR A 14 1.391 -10.950 -2.811 1.00 11.63 O ATOM 227 CB THR A 14 2.541 -12.498 -0.354 1.00 10.38 C ATOM 228 OG1 THR A 14 2.399 -13.078 0.932 1.00 16.30 O ATOM 229 CG2 THR A 14 4.072 -12.396 -0.548 1.00 11.66 C ATOM 0 H THR A 14 0.107 -11.964 0.004 1.00 9.39 H new ATOM 0 HA THR A 14 2.579 -10.451 0.183 1.00 9.63 H new ATOM 0 HB THR A 14 2.028 -13.092 -1.110 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.795 -13.974 0.932 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.512 -13.392 -0.497 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.287 -11.954 -1.521 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.497 -11.770 0.237 1.00 11.66 H new ATOM 237 N LEU A 15 2.858 -9.474 -1.976 1.00 8.29 N ATOM 238 CA LEU A 15 2.944 -8.645 -3.197 1.00 9.03 C ATOM 239 C LEU A 15 4.342 -8.497 -3.622 1.00 8.59 C ATOM 240 O LEU A 15 5.313 -8.661 -2.902 1.00 7.79 O ATOM 241 CB LEU A 15 2.301 -7.286 -2.864 1.00 11.08 C ATOM 242 CG LEU A 15 0.789 -7.393 -2.681 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.161 -6.095 -2.244 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.011 -7.799 -3.879 1.00 15.27 C ATOM 0 H LEU A 15 3.540 -9.217 -1.262 1.00 8.29 H new ATOM 0 HA LEU A 15 2.418 -9.112 -4.029 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.748 -6.888 -1.953 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.519 -6.577 -3.663 1.00 11.08 H new ATOM 0 HG LEU A 15 0.730 -8.175 -1.924 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.914 -6.231 -2.130 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.591 -5.786 -1.291 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.352 -5.328 -2.994 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.049 -7.841 -3.628 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.166 -7.073 -4.677 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.344 -8.782 -4.213 1.00 15.27 H new ATOM 256 N GLU A 16 4.462 -8.138 -4.926 1.00 11.04 N ATOM 257 CA GLU A 16 5.716 -7.835 -5.581 1.00 11.50 C ATOM 258 C GLU A 16 5.847 -6.348 -5.955 1.00 10.13 C ATOM 259 O GLU A 16 4.978 -5.840 -6.599 1.00 9.83 O ATOM 260 CB GLU A 16 5.911 -8.666 -6.867 1.00 17.22 C ATOM 261 CG GLU A 16 7.342 -8.690 -7.555 1.00 23.33 C ATOM 262 CD GLU A 16 8.288 -9.538 -6.724 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.873 -10.609 -6.140 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.472 -9.187 -6.562 1.00 28.86 O ATOM 0 H GLU A 16 3.657 -8.056 -5.547 1.00 11.04 H new ATOM 0 HA GLU A 16 6.484 -8.091 -4.851 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.638 -9.696 -6.638 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.196 -8.303 -7.606 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.265 -9.094 -8.564 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.731 -7.676 -7.646 1.00 23.33 H new ATOM 271 N VAL A 17 6.858 -5.663 -5.462 1.00 8.99 N ATOM 272 CA VAL A 17 7.070 -4.200 -5.707 1.00 8.85 C ATOM 273 C VAL A 17 8.546 -4.039 -6.030 1.00 8.04 C ATOM 274 O VAL A 17 9.369 -4.787 -5.542 1.00 8.99 O ATOM 275 CB VAL A 17 6.810 -3.349 -4.440 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.251 -3.524 -4.223 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.622 -3.761 -3.203 1.00 10.54 C ATOM 0 H VAL A 17 7.576 -6.083 -4.872 1.00 8.99 H new ATOM 0 HA VAL A 17 6.392 -3.872 -6.495 1.00 8.85 H new ATOM 0 HB VAL A 17 7.130 -2.316 -4.578 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.941 -2.961 -3.343 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.718 -3.153 -5.098 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.020 -4.579 -4.078 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.371 -3.107 -2.368 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.386 -4.792 -2.940 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.686 -3.677 -3.422 1.00 10.54 H new ATOM 287 N GLU A 18 8.974 -2.953 -6.701 1.00 7.29 N ATOM 288 CA GLU A 18 10.307 -2.380 -6.675 1.00 7.08 C ATOM 289 C GLU A 18 10.354 -1.298 -5.599 1.00 6.45 C ATOM 290 O GLU A 18 9.304 -0.626 -5.472 1.00 5.28 O ATOM 291 CB GLU A 18 10.750 -1.659 -8.037 1.00 10.28 C ATOM 292 CG GLU A 18 11.085 -2.621 -9.158 1.00 12.65 C ATOM 293 CD GLU A 18 12.284 -3.482 -8.863 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.396 -2.943 -8.579 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.249 -4.736 -8.932 1.00 18.17 O ATOM 0 H GLU A 18 8.347 -2.428 -7.311 1.00 7.29 H new ATOM 0 HA GLU A 18 10.979 -3.219 -6.496 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.947 -0.999 -8.365 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.618 -1.031 -7.839 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.224 -3.262 -9.348 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.268 -2.055 -10.071 1.00 12.65 H new ATOM 302 N PRO A 19 11.427 -1.003 -4.861 1.00 7.24 N ATOM 303 CA PRO A 19 11.519 0.046 -3.851 1.00 7.07 C ATOM 304 C PRO A 19 11.301 1.398 -4.585 1.00 6.65 C ATOM 305 O PRO A 19 10.994 2.381 -3.853 1.00 6.37 O ATOM 306 CB PRO A 19 12.989 -0.038 -3.295 1.00 7.61 C ATOM 307 CG PRO A 19 13.819 -0.712 -4.374 1.00 8.16 C ATOM 308 CD PRO A 19 12.735 -1.591 -5.073 1.00 7.49 C ATOM 0 HA PRO A 19 10.793 -0.051 -3.044 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.377 0.956 -3.071 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.021 -0.609 -2.367 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.271 0.007 -5.057 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.630 -1.310 -3.958 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.944 -1.665 -6.140 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.759 -2.604 -4.673 1.00 7.49 H new ATOM 316 N SER A 20 11.398 1.427 -5.907 1.00 6.80 N ATOM 317 CA SER A 20 11.171 2.670 -6.674 1.00 6.28 C ATOM 318 C SER A 20 9.747 2.967 -7.031 1.00 8.45 C ATOM 319 O SER A 20 9.484 4.034 -7.529 1.00 7.26 O ATOM 320 CB SER A 20 12.048 2.627 -7.954 1.00 8.57 C ATOM 321 OG SER A 20 11.761 1.479 -8.790 1.00 11.13 O ATOM 0 H SER A 20 11.630 0.615 -6.479 1.00 6.80 H new ATOM 0 HA SER A 20 11.454 3.487 -6.011 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.889 3.539 -8.529 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.100 2.610 -7.668 1.00 8.57 H new ATOM 0 HG SER A 20 12.337 1.499 -9.582 1.00 11.13 H new ATOM 327 N ASP A 21 8.810 2.029 -6.798 1.00 7.50 N ATOM 328 CA ASP A 21 7.385 2.150 -7.132 1.00 7.70 C ATOM 329 C ASP A 21 6.763 3.240 -6.278 1.00 7.08 C ATOM 330 O ASP A 21 7.114 3.423 -5.127 1.00 8.11 O ATOM 331 CB ASP A 21 6.665 0.741 -6.947 1.00 11.00 C ATOM 332 CG ASP A 21 6.966 -0.193 -8.107 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.981 0.219 -9.266 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.117 -1.413 -7.878 1.00 18.03 O ATOM 0 H ASP A 21 9.035 1.137 -6.357 1.00 7.50 H new ATOM 0 HA ASP A 21 7.260 2.437 -8.176 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.994 0.283 -6.014 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.588 0.889 -6.867 1.00 11.00 H new ATOM 339 N THR A 22 5.782 3.934 -6.869 1.00 5.37 N ATOM 340 CA THR A 22 5.031 4.806 -6.045 1.00 6.01 C ATOM 341 C THR A 22 3.939 4.078 -5.273 1.00 8.01 C ATOM 342 O THR A 22 3.616 2.913 -5.511 1.00 8.11 O ATOM 343 CB THR A 22 4.378 5.973 -6.729 1.00 8.92 C ATOM 344 OG1 THR A 22 3.454 5.624 -7.701 1.00 10.22 O ATOM 345 CG2 THR A 22 5.524 6.677 -7.469 1.00 9.65 C ATOM 0 H THR A 22 5.522 3.897 -7.855 1.00 5.37 H new ATOM 0 HA THR A 22 5.804 5.201 -5.385 1.00 6.01 H new ATOM 0 HB THR A 22 3.848 6.560 -5.979 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.073 6.436 -8.097 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.135 7.546 -7.999 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.278 6.998 -6.750 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.974 5.987 -8.183 1.00 9.65 H new ATOM 353 N ILE A 23 3.373 4.806 -4.307 1.00 8.32 N ATOM 354 CA ILE A 23 2.361 4.335 -3.493 1.00 9.92 C ATOM 355 C ILE A 23 1.117 4.077 -4.185 1.00 10.01 C ATOM 356 O ILE A 23 0.399 3.087 -3.993 1.00 8.71 O ATOM 357 CB ILE A 23 2.030 5.250 -2.330 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.365 5.550 -1.596 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.986 4.665 -1.462 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.169 4.329 -1.176 1.00 12.30 C ATOM 0 H ILE A 23 3.649 5.766 -4.100 1.00 8.32 H new ATOM 0 HA ILE A 23 2.783 3.399 -3.126 1.00 9.92 H new ATOM 0 HB ILE A 23 1.596 6.190 -2.672 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.986 6.167 -2.246 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.146 6.143 -0.708 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.773 5.347 -0.639 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.078 4.503 -2.043 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.336 3.713 -1.063 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.081 4.650 -0.673 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.575 3.718 -0.496 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.428 3.743 -2.058 1.00 12.30 H new ATOM 372 N GLU A 24 0.767 4.939 -5.210 1.00 9.54 N ATOM 373 CA GLU A 24 -0.313 4.755 -6.133 1.00 11.81 C ATOM 374 C GLU A 24 -0.261 3.471 -6.915 1.00 11.14 C ATOM 375 O GLU A 24 -1.231 2.799 -7.245 1.00 10.62 O ATOM 376 CB GLU A 24 -0.150 5.884 -7.128 1.00 19.24 C ATOM 377 CG GLU A 24 -1.327 6.059 -8.119 1.00 27.76 C ATOM 378 CD GLU A 24 -0.995 7.247 -8.998 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.030 7.139 -9.684 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.727 8.303 -9.030 1.00 34.80 O ATOM 0 H GLU A 24 1.281 5.803 -5.382 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.250 4.733 -5.576 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.016 6.816 -6.578 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.764 5.716 -7.698 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.461 5.160 -8.721 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.261 6.226 -7.582 1.00 27.76 H new ATOM 387 N ASN A 25 0.991 3.093 -7.368 1.00 9.43 N ATOM 388 CA ASN A 25 1.247 1.870 -8.114 1.00 10.96 C ATOM 389 C ASN A 25 1.024 0.648 -7.207 1.00 9.68 C ATOM 390 O ASN A 25 0.472 -0.340 -7.622 1.00 9.33 O ATOM 391 CB ASN A 25 2.630 1.867 -8.919 1.00 16.78 C ATOM 392 CG ASN A 25 2.398 2.699 -10.169 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.911 2.205 -11.179 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.741 3.998 -10.102 1.00 24.70 N ATOM 0 H ASN A 25 1.829 3.652 -7.208 1.00 9.43 H new ATOM 0 HA ASN A 25 0.516 1.811 -8.920 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.433 2.289 -8.314 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.927 0.851 -9.178 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.598 4.606 -10.909 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.144 4.375 -9.244 1.00 24.70 H new ATOM 401 N VAL A 26 1.387 0.640 -5.915 1.00 6.52 N ATOM 402 CA VAL A 26 1.140 -0.441 -4.974 1.00 5.53 C ATOM 403 C VAL A 26 -0.357 -0.558 -4.685 1.00 4.42 C ATOM 404 O VAL A 26 -0.920 -1.633 -4.537 1.00 3.40 O ATOM 405 CB VAL A 26 1.870 -0.146 -3.707 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.606 -1.245 -2.670 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.427 -0.120 -3.932 1.00 8.12 C ATOM 0 H VAL A 26 1.881 1.424 -5.489 1.00 6.52 H new ATOM 0 HA VAL A 26 1.488 -1.382 -5.400 1.00 5.53 H new ATOM 0 HB VAL A 26 1.515 0.826 -3.365 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.146 -1.015 -1.751 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.538 -1.298 -2.460 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.947 -2.204 -3.061 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.927 0.098 -2.988 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.757 -1.090 -4.302 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.676 0.651 -4.661 1.00 8.12 H new ATOM 417 N LYS A 27 -1.097 0.556 -4.789 1.00 2.64 N ATOM 418 CA LYS A 27 -2.550 0.475 -4.792 1.00 4.14 C ATOM 419 C LYS A 27 -3.131 -0.292 -6.046 1.00 5.58 C ATOM 420 O LYS A 27 -4.043 -1.146 -5.973 1.00 4.11 O ATOM 421 CB LYS A 27 -3.415 1.798 -4.584 1.00 3.97 C ATOM 422 CG LYS A 27 -3.017 2.434 -3.246 1.00 7.45 C ATOM 423 CD LYS A 27 -3.788 3.713 -2.961 1.00 9.02 C ATOM 424 CE LYS A 27 -3.192 4.880 -3.700 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.883 6.152 -3.464 1.00 15.47 N ATOM 0 H LYS A 27 -0.717 1.499 -4.870 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.674 -0.086 -3.866 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.241 2.497 -5.402 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.479 1.560 -4.589 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.192 1.720 -2.441 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.949 2.651 -3.253 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.830 3.586 -3.255 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.781 3.915 -1.890 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.147 4.986 -3.408 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.204 4.665 -4.768 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.306 6.934 -3.834 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.804 6.142 -3.947 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.029 6.283 -2.443 1.00 15.47 H new ATOM 439 N ALA A 28 -2.567 -0.197 -7.252 1.00 6.61 N ATOM 440 CA ALA A 28 -2.926 -0.938 -8.469 1.00 7.74 C ATOM 441 C ALA A 28 -2.713 -2.416 -8.317 1.00 9.17 C ATOM 442 O ALA A 28 -3.610 -3.175 -8.598 1.00 11.45 O ATOM 443 CB ALA A 28 -2.235 -0.409 -9.710 1.00 7.68 C ATOM 0 H ALA A 28 -1.792 0.445 -7.418 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.994 -0.771 -8.609 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.541 -0.997 -10.575 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.512 0.634 -9.864 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.155 -0.483 -9.584 1.00 7.68 H new ATOM 449 N LYS A 29 -1.613 -2.797 -7.667 1.00 8.96 N ATOM 450 CA LYS A 29 -1.252 -4.123 -7.412 1.00 7.90 C ATOM 451 C LYS A 29 -2.187 -4.884 -6.444 1.00 6.92 C ATOM 452 O LYS A 29 -2.487 -6.067 -6.620 1.00 6.87 O ATOM 453 CB LYS A 29 0.164 -4.166 -6.760 1.00 10.28 C ATOM 454 CG LYS A 29 1.276 -3.639 -7.710 1.00 14.94 C ATOM 455 CD LYS A 29 2.642 -3.781 -7.071 1.00 19.69 C ATOM 456 CE LYS A 29 3.716 -2.883 -7.722 1.00 22.63 C ATOM 457 NZ LYS A 29 3.972 -3.178 -9.139 1.00 24.98 N ATOM 0 H LYS A 29 -0.938 -2.126 -7.300 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.303 -4.608 -8.387 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.158 -3.570 -5.848 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.395 -5.191 -6.469 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.250 -4.191 -8.649 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.089 -2.592 -7.950 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.567 -3.536 -6.011 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.960 -4.822 -7.136 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.407 -1.842 -7.630 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.648 -2.990 -7.166 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.704 -2.534 -9.501 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.298 -4.161 -9.236 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.096 -3.049 -9.684 1.00 24.98 H new ATOM 471 N ILE A 30 -2.721 -4.120 -5.437 1.00 4.57 N ATOM 472 CA ILE A 30 -3.711 -4.540 -4.421 1.00 5.58 C ATOM 473 C ILE A 30 -5.054 -4.728 -5.191 1.00 7.26 C ATOM 474 O ILE A 30 -5.697 -5.769 -4.909 1.00 9.46 O ATOM 475 CB ILE A 30 -3.770 -3.654 -3.175 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.439 -3.722 -2.371 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.965 -4.045 -2.291 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.480 -2.737 -1.199 1.00 2.00 C ATOM 0 H ILE A 30 -2.449 -3.144 -5.317 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.419 -5.482 -3.957 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.907 -2.623 -3.501 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.281 -4.735 -2.000 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.598 -3.487 -3.024 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.991 -3.404 -1.410 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.890 -3.924 -2.855 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.863 -5.085 -1.981 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.544 -2.793 -0.644 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.616 -1.725 -1.579 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.309 -2.991 -0.539 1.00 2.00 H new ATOM 490 N GLN A 31 -5.351 -3.933 -6.242 1.00 7.06 N ATOM 491 CA GLN A 31 -6.522 -4.251 -7.136 1.00 8.67 C ATOM 492 C GLN A 31 -6.431 -5.580 -7.923 1.00 10.90 C ATOM 493 O GLN A 31 -7.308 -6.401 -7.989 1.00 9.63 O ATOM 494 CB GLN A 31 -6.701 -3.074 -8.122 1.00 9.12 C ATOM 495 CG GLN A 31 -8.101 -3.089 -8.722 1.00 10.76 C ATOM 496 CD GLN A 31 -8.413 -1.938 -9.676 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.419 -1.275 -9.537 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.583 -1.713 -10.679 1.00 14.76 N ATOM 0 H GLN A 31 -4.829 -3.095 -6.499 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.380 -4.386 -6.477 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.531 -2.130 -7.605 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.958 -3.141 -8.916 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.240 -4.029 -9.255 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.827 -3.073 -7.909 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.741 -2.280 -10.781 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.784 -0.972 -11.351 1.00 14.76 H new ATOM 507 N ASP A 32 -5.218 -5.870 -8.517 1.00 10.93 N ATOM 508 CA ASP A 32 -4.913 -7.073 -9.278 1.00 14.01 C ATOM 509 C ASP A 32 -4.941 -8.338 -8.409 1.00 14.04 C ATOM 510 O ASP A 32 -5.430 -9.363 -8.808 1.00 13.39 O ATOM 511 CB ASP A 32 -3.499 -7.020 -9.989 1.00 18.01 C ATOM 512 CG ASP A 32 -3.419 -5.892 -10.949 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.238 -5.584 -11.860 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.252 -5.369 -10.990 1.00 26.29 O ATOM 0 H ASP A 32 -4.423 -5.233 -8.459 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.698 -7.115 -10.033 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.716 -6.917 -9.238 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.317 -7.959 -10.512 1.00 18.01 H new ATOM 519 N LYS A 33 -4.446 -8.255 -7.168 1.00 14.22 N ATOM 520 CA LYS A 33 -4.455 -9.444 -6.305 1.00 14.00 C ATOM 521 C LYS A 33 -5.837 -9.614 -5.675 1.00 12.37 C ATOM 522 O LYS A 33 -6.384 -10.676 -5.814 1.00 12.17 O ATOM 523 CB LYS A 33 -3.340 -9.267 -5.147 1.00 18.62 C ATOM 524 CG LYS A 33 -3.080 -10.613 -4.484 1.00 24.00 C ATOM 525 CD LYS A 33 -2.315 -11.668 -5.338 1.00 27.61 C ATOM 526 CE LYS A 33 -0.873 -11.249 -5.708 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.212 -12.163 -6.637 1.00 30.06 N ATOM 0 H LYS A 33 -4.049 -7.413 -6.750 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.226 -10.329 -6.898 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.417 -8.875 -5.573 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.681 -8.544 -4.406 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.515 -10.440 -3.568 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.039 -11.041 -4.191 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.280 -12.609 -4.789 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.875 -11.854 -6.254 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.896 -10.252 -6.149 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.279 -11.181 -4.796 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.748 -11.819 -6.839 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.158 -13.111 -6.212 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.755 -12.211 -7.522 1.00 30.06 H new ATOM 541 N GLU A 34 -6.413 -8.569 -5.098 1.00 10.11 N ATOM 542 CA GLU A 34 -7.529 -8.795 -4.196 1.00 10.07 C ATOM 543 C GLU A 34 -8.838 -8.039 -4.581 1.00 9.32 C ATOM 544 O GLU A 34 -9.820 -7.978 -3.816 1.00 11.61 O ATOM 545 CB GLU A 34 -7.181 -8.227 -2.776 1.00 14.77 C ATOM 546 CG GLU A 34 -6.021 -8.981 -2.110 1.00 18.75 C ATOM 547 CD GLU A 34 -6.367 -10.440 -1.867 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.422 -10.723 -1.260 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.564 -11.366 -2.213 1.00 21.95 O ATOM 0 H GLU A 34 -6.140 -7.595 -5.231 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.691 -9.872 -4.236 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.922 -7.172 -2.864 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.063 -8.287 -2.138 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.135 -8.917 -2.742 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.772 -8.503 -1.163 1.00 18.75 H new ATOM 556 N GLY A 35 -8.965 -7.471 -5.769 1.00 7.22 N ATOM 557 CA GLY A 35 -10.144 -6.912 -6.235 1.00 6.29 C ATOM 558 C GLY A 35 -10.660 -5.638 -5.509 1.00 6.93 C ATOM 559 O GLY A 35 -11.889 -5.522 -5.511 1.00 7.41 O ATOM 0 H GLY A 35 -8.195 -7.403 -6.434 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.010 -6.669 -7.289 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.924 -7.672 -6.180 1.00 6.29 H new ATOM 563 N ILE A 36 -9.807 -4.706 -5.003 1.00 5.86 N ATOM 564 CA ILE A 36 -10.216 -3.575 -4.227 1.00 6.07 C ATOM 565 C ILE A 36 -9.849 -2.320 -5.048 1.00 6.36 C ATOM 566 O ILE A 36 -8.739 -2.238 -5.507 1.00 6.18 O ATOM 567 CB ILE A 36 -9.449 -3.520 -2.889 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.708 -4.765 -1.967 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.946 -2.256 -2.134 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.792 -4.772 -0.741 1.00 9.49 C ATOM 0 H ILE A 36 -8.798 -4.751 -5.145 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.283 -3.636 -4.011 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.382 -3.504 -3.113 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.748 -4.765 -1.642 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.553 -5.679 -2.540 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.429 -2.176 -1.178 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.739 -1.369 -2.733 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.019 -2.334 -1.960 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.006 -5.650 -0.132 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.751 -4.799 -1.064 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.965 -3.871 -0.152 1.00 9.49 H new ATOM 582 N PRO A 37 -10.764 -1.403 -5.372 1.00 8.65 N ATOM 583 CA PRO A 37 -10.444 -0.295 -6.255 1.00 9.18 C ATOM 584 C PRO A 37 -9.490 0.662 -5.517 1.00 9.85 C ATOM 585 O PRO A 37 -9.803 1.010 -4.396 1.00 8.51 O ATOM 586 CB PRO A 37 -11.833 0.279 -6.514 1.00 11.42 C ATOM 587 CG PRO A 37 -12.611 -0.001 -5.219 1.00 9.27 C ATOM 588 CD PRO A 37 -12.150 -1.415 -4.879 1.00 8.33 C ATOM 0 HA PRO A 37 -9.926 -0.533 -7.184 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.788 1.347 -6.727 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.306 -0.198 -7.373 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.364 0.710 -4.431 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.689 0.053 -5.370 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.202 -1.616 -3.809 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.755 -2.173 -5.376 1.00 8.33 H new ATOM 596 N PRO A 38 -8.381 1.096 -6.085 1.00 8.71 N ATOM 597 CA PRO A 38 -7.476 2.098 -5.490 1.00 9.08 C ATOM 598 C PRO A 38 -8.181 3.380 -5.111 1.00 9.28 C ATOM 599 O PRO A 38 -7.722 4.080 -4.210 1.00 6.50 O ATOM 600 CB PRO A 38 -6.481 2.346 -6.629 1.00 10.31 C ATOM 601 CG PRO A 38 -6.343 1.041 -7.378 1.00 10.81 C ATOM 602 CD PRO A 38 -7.813 0.466 -7.308 1.00 12.00 C ATOM 0 HA PRO A 38 -7.028 1.754 -4.558 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.839 3.135 -7.290 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.517 2.671 -6.237 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.013 1.193 -8.406 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.621 0.374 -6.907 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.388 0.727 -8.197 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.814 -0.622 -7.236 1.00 12.00 H new ATOM 610 N ASP A 39 -9.299 3.757 -5.748 1.00 11.20 N ATOM 611 CA ASP A 39 -10.047 5.005 -5.336 1.00 14.96 C ATOM 612 C ASP A 39 -10.496 4.953 -3.857 1.00 13.99 C ATOM 613 O ASP A 39 -10.570 5.935 -3.135 1.00 13.75 O ATOM 614 CB ASP A 39 -11.278 5.211 -6.185 1.00 24.16 C ATOM 615 CG ASP A 39 -10.804 5.610 -7.605 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.848 6.433 -7.646 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.315 5.083 -8.618 1.00 34.22 O ATOM 0 H ASP A 39 -9.714 3.249 -6.529 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.349 5.830 -5.475 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.875 4.300 -6.222 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.911 5.990 -5.759 1.00 24.16 H new ATOM 622 N GLN A 40 -10.677 3.730 -3.314 1.00 11.60 N ATOM 623 CA GLN A 40 -11.066 3.550 -1.953 1.00 10.76 C ATOM 624 C GLN A 40 -9.851 3.263 -1.057 1.00 8.01 C ATOM 625 O GLN A 40 -9.953 3.392 0.158 1.00 8.96 O ATOM 626 CB GLN A 40 -12.055 2.372 -1.842 1.00 11.14 C ATOM 627 CG GLN A 40 -13.404 2.456 -2.553 1.00 14.85 C ATOM 628 CD GLN A 40 -14.309 1.258 -2.257 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.059 0.438 -1.376 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.476 1.160 -2.974 1.00 18.16 N ATOM 0 H GLN A 40 -10.551 2.859 -3.830 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.539 4.473 -1.618 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.546 1.482 -2.211 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.253 2.210 -0.782 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.912 3.372 -2.251 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.239 2.523 -3.628 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.684 1.840 -3.705 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.135 0.407 -2.775 1.00 18.16 H new ATOM 639 N GLN A 41 -8.725 2.740 -1.606 1.00 6.52 N ATOM 640 CA GLN A 41 -7.552 2.333 -0.911 1.00 3.87 C ATOM 641 C GLN A 41 -6.710 3.440 -0.288 1.00 4.79 C ATOM 642 O GLN A 41 -6.591 4.544 -0.839 1.00 6.34 O ATOM 643 CB GLN A 41 -6.613 1.608 -1.815 1.00 4.20 C ATOM 644 CG GLN A 41 -7.048 0.173 -2.138 1.00 3.20 C ATOM 645 CD GLN A 41 -6.019 -0.513 -3.014 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.876 -0.650 -2.517 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.452 -1.027 -4.216 1.00 7.13 N ATOM 0 H GLN A 41 -8.642 2.597 -2.612 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.969 1.720 -0.112 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.516 2.166 -2.746 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.626 1.583 -1.354 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.179 -0.390 -1.214 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.014 0.185 -2.644 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.407 -0.856 -4.529 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.817 -1.579 -4.793 1.00 7.13 H new ATOM 656 N ARG A 42 -6.170 3.138 0.872 1.00 5.73 N ATOM 657 CA ARG A 42 -5.196 3.983 1.587 1.00 6.97 C ATOM 658 C ARG A 42 -4.192 3.074 2.337 1.00 7.15 C ATOM 659 O ARG A 42 -4.470 1.922 2.713 1.00 7.33 O ATOM 660 CB ARG A 42 -5.797 4.980 2.622 1.00 13.23 C ATOM 661 CG ARG A 42 -6.177 6.352 2.077 1.00 21.27 C ATOM 662 CD ARG A 42 -6.595 7.307 3.214 1.00 26.14 C ATOM 663 NE ARG A 42 -7.113 8.555 2.497 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.787 9.511 3.130 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.036 9.474 4.413 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.245 10.560 2.412 1.00 36.39 N ATOM 0 H ARG A 42 -6.392 2.277 1.371 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.731 4.591 0.811 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.685 4.526 3.062 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.076 5.117 3.428 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.333 6.777 1.533 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.996 6.249 1.365 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.366 6.862 3.843 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.752 7.544 3.863 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.935 8.658 1.498 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.709 8.687 4.974 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.557 10.232 4.853 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.071 10.606 1.408 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.765 11.306 2.874 1.00 36.39 H new ATOM 680 N LEU A 43 -2.913 3.533 2.448 1.00 4.65 N ATOM 681 CA LEU A 43 -1.777 2.726 2.800 1.00 3.51 C ATOM 682 C LEU A 43 -1.141 3.411 3.913 1.00 5.56 C ATOM 683 O LEU A 43 -0.890 4.629 3.899 1.00 4.19 O ATOM 684 CB LEU A 43 -0.835 2.248 1.644 1.00 3.74 C ATOM 685 CG LEU A 43 -1.296 1.062 0.786 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.722 1.083 -0.664 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.963 -0.296 1.402 1.00 6.41 C ATOM 0 H LEU A 43 -2.669 4.510 2.284 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.116 1.734 3.097 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.665 3.095 0.980 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.128 1.989 2.083 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.378 1.187 0.746 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.089 0.216 -1.213 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.042 1.995 -1.169 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.367 1.053 -0.625 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.316 -1.090 0.744 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.116 -0.383 1.529 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.451 -0.385 2.373 1.00 6.41 H new ATOM 699 N ILE A 44 -0.925 2.647 5.029 1.00 4.58 N ATOM 700 CA ILE A 44 -0.388 3.155 6.264 1.00 5.55 C ATOM 701 C ILE A 44 0.859 2.357 6.647 1.00 5.46 C ATOM 702 O ILE A 44 0.840 1.086 6.737 1.00 6.04 O ATOM 703 CB ILE A 44 -1.370 3.237 7.436 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.398 4.350 7.227 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.554 3.556 8.711 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.183 4.816 8.425 1.00 13.90 C ATOM 0 H ILE A 44 -1.133 1.649 5.062 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.136 4.196 6.064 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.904 2.290 7.520 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.877 5.213 6.812 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.108 4.012 6.472 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.226 3.621 9.566 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.176 2.765 8.883 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.036 4.507 8.583 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.871 5.606 8.124 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.748 3.980 8.837 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.499 5.199 9.182 1.00 13.90 H new ATOM 718 N PHE A 45 2.018 3.042 6.881 1.00 6.75 N ATOM 719 CA PHE A 45 3.241 2.382 7.582 1.00 4.70 C ATOM 720 C PHE A 45 3.937 3.318 8.527 1.00 6.34 C ATOM 721 O PHE A 45 4.168 4.467 8.234 1.00 5.45 O ATOM 722 CB PHE A 45 4.125 1.795 6.478 1.00 5.51 C ATOM 723 CG PHE A 45 5.605 1.493 6.805 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.514 2.568 6.812 1.00 5.87 C ATOM 725 CD2 PHE A 45 6.101 0.178 7.043 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.816 2.378 7.225 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.514 -0.022 7.283 1.00 6.68 C ATOM 728 CZ PHE A 45 8.292 1.076 7.489 1.00 6.84 C ATOM 0 H PHE A 45 2.163 4.017 6.618 1.00 6.75 H new ATOM 0 HA PHE A 45 2.930 1.572 8.242 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.663 0.867 6.141 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.105 2.485 5.635 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.190 3.547 6.492 1.00 5.87 H new ATOM 0 HD2 PHE A 45 5.426 -0.665 7.044 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.472 3.227 7.347 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.939 -1.015 7.298 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.297 0.948 7.863 1.00 6.84 H new ATOM 738 N ALA A 46 4.192 2.810 9.740 1.00 6.53 N ATOM 739 CA ALA A 46 4.950 3.504 10.794 1.00 7.15 C ATOM 740 C ALA A 46 4.230 4.768 11.315 1.00 9.00 C ATOM 741 O ALA A 46 4.808 5.806 11.606 1.00 11.15 O ATOM 742 CB ALA A 46 6.325 3.902 10.221 1.00 8.99 C ATOM 0 H ALA A 46 3.871 1.885 10.024 1.00 6.53 H new ATOM 0 HA ALA A 46 5.050 2.823 11.639 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.903 4.418 10.987 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.860 3.007 9.904 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.185 4.563 9.365 1.00 8.99 H new ATOM 748 N GLY A 47 2.925 4.768 11.462 1.00 9.35 N ATOM 749 CA GLY A 47 2.155 5.905 11.938 1.00 11.68 C ATOM 750 C GLY A 47 2.006 6.955 10.818 1.00 11.14 C ATOM 751 O GLY A 47 1.527 8.059 11.114 1.00 13.93 O ATOM 0 H GLY A 47 2.348 3.954 11.248 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.171 5.574 12.269 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.648 6.351 12.802 1.00 11.68 H new ATOM 755 N LYS A 48 2.369 6.614 9.604 1.00 10.47 N ATOM 756 CA LYS A 48 2.373 7.503 8.444 1.00 8.82 C ATOM 757 C LYS A 48 1.376 7.055 7.380 1.00 7.68 C ATOM 758 O LYS A 48 1.349 5.977 6.917 1.00 6.47 O ATOM 759 CB LYS A 48 3.723 7.696 7.672 1.00 9.74 C ATOM 760 CG LYS A 48 4.870 8.063 8.621 1.00 14.14 C ATOM 761 CD LYS A 48 6.161 8.401 7.925 1.00 16.32 C ATOM 762 CE LYS A 48 7.409 8.326 8.863 1.00 20.04 C ATOM 763 NZ LYS A 48 7.392 9.430 9.792 1.00 23.92 N ATOM 0 H LYS A 48 2.685 5.671 9.378 1.00 10.47 H new ATOM 0 HA LYS A 48 2.124 8.449 8.925 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.971 6.779 7.138 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.605 8.479 6.923 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.565 8.914 9.230 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.044 7.230 9.302 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.303 7.718 7.088 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.089 9.406 7.508 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.410 7.382 9.407 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.323 8.353 8.270 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.225 9.374 10.413 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.412 10.327 9.266 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.527 9.386 10.368 1.00 23.92 H new ATOM 777 N GLN A 49 0.529 8.002 6.924 1.00 8.89 N ATOM 778 CA GLN A 49 -0.368 7.748 5.801 1.00 7.18 C ATOM 779 C GLN A 49 0.296 8.118 4.374 1.00 8.23 C ATOM 780 O GLN A 49 0.504 9.300 4.127 1.00 9.70 O ATOM 781 CB GLN A 49 -1.647 8.587 5.925 1.00 11.67 C ATOM 782 CG GLN A 49 -2.423 8.409 7.268 1.00 15.82 C ATOM 783 CD GLN A 49 -3.623 9.376 7.367 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.732 9.152 6.845 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.465 10.483 8.135 1.00 20.67 N ATOM 0 H GLN A 49 0.455 8.939 7.320 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.584 6.680 5.837 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.386 9.639 5.810 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.313 8.331 5.101 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.776 7.381 7.351 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.746 8.582 8.105 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.563 10.679 8.568 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.249 11.120 8.279 1.00 20.67 H new ATOM 794 N LEU A 50 0.709 7.051 3.646 1.00 6.51 N ATOM 795 CA LEU A 50 1.669 7.080 2.556 1.00 7.41 C ATOM 796 C LEU A 50 0.980 7.737 1.372 1.00 8.27 C ATOM 797 O LEU A 50 -0.138 7.410 0.914 1.00 8.34 O ATOM 798 CB LEU A 50 2.227 5.678 2.123 1.00 7.13 C ATOM 799 CG LEU A 50 2.472 4.636 3.243 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.950 3.272 2.725 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.570 5.199 4.151 1.00 9.11 C ATOM 0 H LEU A 50 0.355 6.111 3.825 1.00 6.51 H new ATOM 0 HA LEU A 50 2.541 7.632 2.906 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.531 5.245 1.405 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.169 5.837 1.598 1.00 7.13 H new ATOM 0 HG LEU A 50 1.523 4.471 3.753 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.100 2.595 3.566 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.200 2.855 2.053 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.890 3.396 2.187 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.774 4.493 4.956 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.478 5.357 3.569 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.241 6.148 4.575 1.00 9.11 H new ATOM 813 N GLU A 51 1.690 8.694 0.790 1.00 9.43 N ATOM 814 CA GLU A 51 1.274 9.630 -0.208 1.00 11.90 C ATOM 815 C GLU A 51 1.481 9.127 -1.637 1.00 11.49 C ATOM 816 O GLU A 51 2.561 8.581 -1.921 1.00 9.88 O ATOM 817 CB GLU A 51 1.903 11.006 0.041 1.00 16.56 C ATOM 818 CG GLU A 51 1.574 11.509 1.533 1.00 26.06 C ATOM 819 CD GLU A 51 2.212 12.868 1.921 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.759 13.519 1.034 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.150 13.227 3.113 1.00 32.13 O ATOM 0 H GLU A 51 2.668 8.835 1.041 1.00 9.43 H new ATOM 0 HA GLU A 51 0.194 9.741 -0.112 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.982 10.951 -0.102 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.522 11.724 -0.685 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.492 11.587 1.644 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.913 10.751 2.239 1.00 26.06 H new ATOM 828 N ASP A 52 0.504 9.258 -2.525 1.00 12.71 N ATOM 829 CA ASP A 52 0.290 8.773 -3.929 1.00 16.56 C ATOM 830 C ASP A 52 1.587 8.796 -4.778 1.00 15.83 C ATOM 831 O ASP A 52 1.993 7.800 -5.387 1.00 17.21 O ATOM 832 CB ASP A 52 -0.745 9.691 -4.618 1.00 21.05 C ATOM 833 CG ASP A 52 -2.139 9.608 -3.919 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.891 8.664 -4.188 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.354 10.548 -3.084 1.00 28.37 O ATOM 0 H ASP A 52 -0.313 9.801 -2.246 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.053 7.740 -3.865 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.388 10.721 -4.600 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.845 9.407 -5.666 1.00 21.05 H new ATOM 840 N GLY A 53 2.276 9.987 -4.901 1.00 15.00 N ATOM 841 CA GLY A 53 3.428 10.344 -5.752 1.00 11.77 C ATOM 842 C GLY A 53 4.708 10.229 -5.085 1.00 11.10 C ATOM 843 O GLY A 53 5.753 10.624 -5.559 1.00 11.25 O ATOM 0 H GLY A 53 1.992 10.789 -4.339 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.429 9.702 -6.633 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.304 11.368 -6.104 1.00 11.77 H new ATOM 847 N ARG A 54 4.672 9.632 -3.874 1.00 8.53 N ATOM 848 CA ARG A 54 5.889 9.316 -3.201 1.00 9.05 C ATOM 849 C ARG A 54 6.251 7.910 -3.445 1.00 8.96 C ATOM 850 O ARG A 54 5.420 7.202 -3.985 1.00 11.60 O ATOM 851 CB ARG A 54 5.688 9.626 -1.705 1.00 7.97 C ATOM 852 CG ARG A 54 5.992 11.080 -1.281 1.00 9.62 C ATOM 853 CD ARG A 54 7.442 11.394 -0.892 1.00 12.20 C ATOM 854 NE ARG A 54 7.637 12.849 -0.681 1.00 18.23 N ATOM 855 CZ ARG A 54 8.842 13.458 -0.803 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.980 12.810 -1.035 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.884 14.734 -0.581 1.00 23.38 N ATOM 0 H ARG A 54 3.820 9.376 -3.376 1.00 8.53 H new ATOM 0 HA ARG A 54 6.719 9.915 -3.576 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.656 9.397 -1.440 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.323 8.956 -1.125 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.709 11.740 -2.101 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.351 11.329 -0.435 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.702 10.854 0.018 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.115 11.044 -1.674 1.00 12.20 H new ATOM 0 HE ARG A 54 6.827 13.418 -0.433 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.978 11.795 -1.132 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.855 13.328 -1.116 1.00 25.50 H new ATOM 0 HH21 ARG A 54 8.033 15.236 -0.327 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.768 15.237 -0.660 1.00 23.38 H new ATOM 871 N THR A 55 7.458 7.443 -3.106 1.00 9.05 N ATOM 872 CA THR A 55 7.950 6.106 -3.450 1.00 9.03 C ATOM 873 C THR A 55 8.280 5.320 -2.185 1.00 8.15 C ATOM 874 O THR A 55 8.420 5.851 -1.038 1.00 5.91 O ATOM 875 CB THR A 55 9.198 5.967 -4.295 1.00 11.15 C ATOM 876 OG1 THR A 55 10.350 6.455 -3.612 1.00 11.95 O ATOM 877 CG2 THR A 55 9.021 6.826 -5.582 1.00 11.71 C ATOM 0 H THR A 55 8.132 7.995 -2.575 1.00 9.05 H new ATOM 0 HA THR A 55 7.114 5.744 -4.049 1.00 9.03 H new ATOM 0 HB THR A 55 9.337 4.910 -4.521 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.094 7.201 -3.030 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.912 6.738 -6.204 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.153 6.472 -6.139 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.874 7.870 -5.305 1.00 11.71 H new ATOM 885 N LEU A 56 8.465 4.011 -2.311 1.00 6.91 N ATOM 886 CA LEU A 56 8.823 3.167 -1.155 1.00 8.29 C ATOM 887 C LEU A 56 10.220 3.464 -0.553 1.00 8.05 C ATOM 888 O LEU A 56 10.392 3.286 0.625 1.00 10.17 O ATOM 889 CB LEU A 56 8.681 1.698 -1.549 1.00 6.60 C ATOM 890 CG LEU A 56 7.228 1.235 -1.885 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.234 -0.248 -2.335 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.214 1.387 -0.722 1.00 8.64 C ATOM 0 H LEU A 56 8.376 3.505 -3.192 1.00 6.91 H new ATOM 0 HA LEU A 56 8.127 3.410 -0.352 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.315 1.508 -2.415 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.062 1.082 -0.734 1.00 6.60 H new ATOM 0 HG LEU A 56 6.897 1.900 -2.683 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.216 -0.562 -2.567 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.858 -0.357 -3.222 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.631 -0.870 -1.533 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.233 1.041 -1.047 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.545 0.792 0.129 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.150 2.435 -0.429 1.00 8.64 H new ATOM 904 N SER A 57 11.198 4.025 -1.390 1.00 8.92 N ATOM 905 CA SER A 57 12.479 4.490 -0.985 1.00 9.00 C ATOM 906 C SER A 57 12.410 5.768 -0.108 1.00 9.44 C ATOM 907 O SER A 57 13.100 5.892 0.887 1.00 10.91 O ATOM 908 CB SER A 57 13.289 4.686 -2.249 1.00 10.32 C ATOM 909 OG SER A 57 14.647 4.787 -1.955 1.00 13.59 O ATOM 0 H SER A 57 11.043 4.140 -2.392 1.00 8.92 H new ATOM 0 HA SER A 57 12.959 3.757 -0.336 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.120 3.850 -2.928 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.956 5.587 -2.764 1.00 10.32 H new ATOM 0 HG SER A 57 15.153 4.911 -2.785 1.00 13.59 H new ATOM 915 N ASP A 58 11.444 6.665 -0.349 1.00 9.11 N ATOM 916 CA ASP A 58 11.137 7.800 0.507 1.00 7.91 C ATOM 917 C ASP A 58 10.851 7.345 1.948 1.00 9.12 C ATOM 918 O ASP A 58 11.312 8.018 2.886 1.00 8.61 O ATOM 919 CB ASP A 58 9.955 8.623 -0.046 1.00 8.41 C ATOM 920 CG ASP A 58 10.351 9.186 -1.362 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.076 10.211 -1.424 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.823 8.775 -2.429 1.00 11.70 O ATOM 0 H ASP A 58 10.842 6.612 -1.171 1.00 9.11 H new ATOM 0 HA ASP A 58 12.016 8.444 0.519 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.072 7.993 -0.153 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.694 9.424 0.646 1.00 8.41 H new ATOM 927 N TYR A 59 10.071 6.261 2.157 1.00 7.97 N ATOM 928 CA TYR A 59 9.757 5.815 3.404 1.00 8.45 C ATOM 929 C TYR A 59 10.696 4.727 3.899 1.00 10.98 C ATOM 930 O TYR A 59 10.692 4.232 5.052 1.00 12.95 O ATOM 931 CB TYR A 59 8.332 5.276 3.441 1.00 7.94 C ATOM 932 CG TYR A 59 7.304 6.287 2.958 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.936 7.309 3.871 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.668 6.297 1.717 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.999 8.303 3.504 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.584 7.127 1.399 1.00 6.52 C ATOM 937 CZ TYR A 59 5.309 8.164 2.319 1.00 6.76 C ATOM 938 OH TYR A 59 4.498 9.209 1.890 1.00 7.63 O ATOM 0 H TYR A 59 9.666 5.705 1.404 1.00 7.97 H new ATOM 0 HA TYR A 59 9.858 6.678 4.063 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.272 4.380 2.823 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.089 4.977 4.460 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.376 7.328 4.857 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.033 5.625 0.955 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.827 9.157 4.142 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.995 6.983 0.505 1.00 6.52 H new ATOM 0 HH TYR A 59 4.612 9.337 0.925 1.00 7.63 H new ATOM 948 N ASN A 60 11.639 4.360 3.018 1.00 12.38 N ATOM 949 CA ASN A 60 12.661 3.391 3.167 1.00 13.94 C ATOM 950 C ASN A 60 12.120 1.943 3.327 1.00 14.16 C ATOM 951 O ASN A 60 12.666 1.188 4.132 1.00 14.26 O ATOM 952 CB ASN A 60 13.667 3.784 4.270 1.00 19.23 C ATOM 953 CG ASN A 60 14.307 5.187 4.126 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.876 6.110 4.877 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.229 5.387 3.210 1.00 24.09 N ATOM 0 H ASN A 60 11.682 4.799 2.098 1.00 12.38 H new ATOM 0 HA ASN A 60 13.213 3.382 2.227 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.160 3.733 5.234 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.465 3.041 4.290 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.627 6.317 3.082 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.546 4.612 2.627 1.00 24.09 H new ATOM 962 N ILE A 61 10.994 1.554 2.690 1.00 11.08 N ATOM 963 CA ILE A 61 10.330 0.312 2.998 1.00 11.78 C ATOM 964 C ILE A 61 11.178 -0.896 2.452 1.00 13.74 C ATOM 965 O ILE A 61 11.398 -0.900 1.221 1.00 14.60 O ATOM 966 CB ILE A 61 8.878 0.224 2.522 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.086 1.385 3.238 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.290 -1.113 2.749 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.614 1.739 2.735 1.00 11.42 C ATOM 0 H ILE A 61 10.540 2.101 1.958 1.00 11.08 H new ATOM 0 HA ILE A 61 10.267 0.267 4.085 1.00 11.78 H new ATOM 0 HB ILE A 61 8.821 0.355 1.441 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.021 1.135 4.297 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.687 2.291 3.160 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.259 -1.122 2.394 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.867 -1.861 2.206 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.309 -1.343 3.814 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.213 2.558 3.332 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.649 2.037 1.687 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.973 0.864 2.842 1.00 11.42 H new ATOM 981 N GLN A 62 11.591 -1.777 3.292 1.00 13.97 N ATOM 982 CA GLN A 62 12.369 -2.912 2.853 1.00 15.52 C ATOM 983 C GLN A 62 11.556 -4.141 2.464 1.00 13.94 C ATOM 984 O GLN A 62 10.343 -4.160 2.685 1.00 12.15 O ATOM 985 CB GLN A 62 13.261 -3.290 4.077 1.00 19.53 C ATOM 986 CG GLN A 62 14.086 -2.138 4.629 1.00 26.38 C ATOM 987 CD GLN A 62 15.019 -1.562 3.553 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.708 -2.360 2.899 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.031 -0.230 3.331 1.00 32.71 N ATOM 0 H GLN A 62 11.409 -1.746 4.295 1.00 13.97 H new ATOM 0 HA GLN A 62 12.911 -2.627 1.951 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.623 -3.678 4.871 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.934 -4.097 3.786 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.423 -1.355 4.997 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.675 -2.483 5.479 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.446 0.386 3.895 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.625 0.160 2.599 1.00 32.71 H new ATOM 998 N LYS A 63 12.201 -5.156 1.800 1.00 11.73 N ATOM 999 CA LYS A 63 11.542 -6.411 1.491 1.00 11.97 C ATOM 1000 C LYS A 63 11.080 -7.140 2.783 1.00 10.41 C ATOM 1001 O LYS A 63 11.671 -6.976 3.843 1.00 9.59 O ATOM 1002 CB LYS A 63 12.512 -7.244 0.601 1.00 13.73 C ATOM 1003 CG LYS A 63 13.820 -7.608 1.252 1.00 16.98 C ATOM 1004 CD LYS A 63 14.888 -7.786 0.156 1.00 20.19 C ATOM 1005 CE LYS A 63 16.262 -8.132 0.768 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.818 -6.864 1.384 1.00 25.97 N ATOM 0 H LYS A 63 13.169 -5.102 1.483 1.00 11.73 H new ATOM 0 HA LYS A 63 10.621 -6.247 0.932 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.006 -8.161 0.299 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.721 -6.681 -0.308 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.123 -6.829 1.951 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.712 -8.528 1.827 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.582 -8.577 -0.529 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.968 -6.870 -0.430 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.160 -8.912 1.522 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.937 -8.515 0.003 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.856 -6.870 1.314 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.441 -6.038 0.877 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.539 -6.813 2.385 1.00 25.97 H new ATOM 1020 N GLU A 64 9.992 -7.903 2.678 1.00 10.04 N ATOM 1021 CA GLU A 64 9.404 -8.598 3.787 1.00 10.94 C ATOM 1022 C GLU A 64 8.845 -7.794 4.919 1.00 9.74 C ATOM 1023 O GLU A 64 8.601 -8.209 6.046 1.00 9.42 O ATOM 1024 CB GLU A 64 10.274 -9.751 4.354 1.00 18.31 C ATOM 1025 CG GLU A 64 10.473 -10.895 3.323 1.00 24.16 C ATOM 1026 CD GLU A 64 11.338 -11.972 3.866 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.956 -12.724 4.799 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.464 -12.050 3.283 1.00 31.72 O ATOM 0 H GLU A 64 9.498 -8.048 1.798 1.00 10.04 H new ATOM 0 HA GLU A 64 8.531 -9.005 3.277 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.246 -9.358 4.651 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.804 -10.151 5.252 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.504 -11.310 3.047 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.919 -10.493 2.413 1.00 24.16 H new ATOM 1035 N SER A 65 8.594 -6.508 4.576 1.00 6.85 N ATOM 1036 CA SER A 65 8.057 -5.490 5.496 1.00 6.90 C ATOM 1037 C SER A 65 6.587 -5.438 5.448 1.00 4.72 C ATOM 1038 O SER A 65 6.043 -6.033 4.491 1.00 3.91 O ATOM 1039 CB SER A 65 8.786 -4.174 5.262 1.00 7.28 C ATOM 1040 OG SER A 65 8.747 -3.268 6.349 1.00 10.56 O ATOM 0 H SER A 65 8.763 -6.148 3.637 1.00 6.85 H new ATOM 0 HA SER A 65 8.256 -5.757 6.534 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.828 -4.390 5.026 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.355 -3.687 4.387 1.00 7.28 H new ATOM 0 HG SER A 65 9.239 -2.454 6.114 1.00 10.56 H new ATOM 1046 N THR A 66 5.957 -4.770 6.389 1.00 4.48 N ATOM 1047 CA THR A 66 4.558 -4.911 6.661 1.00 3.80 C ATOM 1048 C THR A 66 3.907 -3.600 6.650 1.00 4.60 C ATOM 1049 O THR A 66 4.130 -2.622 7.363 1.00 5.33 O ATOM 1050 CB THR A 66 4.225 -5.521 8.032 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.835 -6.821 8.103 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.794 -5.870 8.196 1.00 3.40 C ATOM 0 H THR A 66 6.423 -4.098 6.998 1.00 4.48 H new ATOM 0 HA THR A 66 4.203 -5.583 5.880 1.00 3.80 H new ATOM 0 HB THR A 66 4.549 -4.780 8.762 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.636 -7.229 8.972 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.634 -6.295 9.187 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.185 -4.973 8.084 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.508 -6.599 7.438 1.00 3.40 H new ATOM 1060 N LEU A 67 2.899 -3.541 5.724 1.00 4.17 N ATOM 1061 CA LEU A 67 2.097 -2.416 5.359 1.00 3.85 C ATOM 1062 C LEU A 67 0.689 -2.652 5.863 1.00 3.80 C ATOM 1063 O LEU A 67 0.212 -3.800 5.970 1.00 5.54 O ATOM 1064 CB LEU A 67 2.058 -2.144 3.829 1.00 7.18 C ATOM 1065 CG LEU A 67 3.505 -1.995 3.192 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.381 -1.492 1.804 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.407 -0.965 3.965 1.00 11.66 C ATOM 0 H LEU A 67 2.636 -4.370 5.191 1.00 4.17 H new ATOM 0 HA LEU A 67 2.549 -1.534 5.813 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.530 -2.959 3.333 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.488 -1.234 3.641 1.00 7.18 H new ATOM 0 HG LEU A 67 3.966 -2.981 3.240 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.373 -1.389 1.364 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.794 -2.195 1.213 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.885 -0.522 1.812 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.384 -0.905 3.485 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.934 0.017 3.949 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.530 -1.292 4.997 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.093 -1.575 6.157 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.367 -1.636 6.692 1.00 4.17 C ATOM 1081 C HIS A 68 -2.234 -1.049 5.560 1.00 5.32 C ATOM 1082 O HIS A 68 -1.910 -0.019 4.957 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.553 -0.776 7.983 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.557 -1.221 8.977 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.733 -0.723 9.121 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.512 -2.462 9.562 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.428 -1.601 9.841 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.718 -2.710 10.087 1.00 16.30 N ATOM 0 H HIS A 68 0.221 -0.618 5.996 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.617 -2.652 6.999 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.420 0.282 7.758 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.563 -0.894 8.377 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.084 0.157 8.743 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.343 -3.150 9.600 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.439 -1.439 10.184 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.273 -1.731 5.238 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.235 -1.272 4.277 1.00 3.97 C ATOM 1098 C LEU A 69 -5.364 -0.692 5.069 1.00 5.07 C ATOM 1099 O LEU A 69 -6.000 -1.283 5.934 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.686 -2.416 3.267 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.532 -1.979 2.047 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.799 -1.050 1.064 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.129 -3.075 1.312 1.00 9.96 C ATOM 0 H LEU A 69 -3.492 -2.644 5.638 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.807 -0.514 3.620 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.790 -2.915 2.897 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.256 -3.158 3.827 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.333 -1.408 2.517 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.465 -0.794 0.240 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.495 -0.140 1.581 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.917 -1.557 0.673 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.704 -2.681 0.474 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.344 -3.732 0.936 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.789 -3.639 1.972 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.709 0.574 4.796 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.855 1.267 5.449 1.00 6.26 C ATOM 1117 C VAL A 70 -7.744 1.796 4.330 1.00 9.22 C ATOM 1118 O VAL A 70 -7.436 1.661 3.169 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.440 2.354 6.478 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.664 1.750 7.667 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.659 3.533 5.926 1.00 8.54 C ATOM 0 H VAL A 70 -5.211 1.154 4.121 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.406 0.560 6.069 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.399 2.756 6.805 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.392 2.543 8.364 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.291 1.018 8.176 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.760 1.262 7.302 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.425 4.225 6.735 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.733 3.177 5.474 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.257 4.045 5.172 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.850 2.440 4.711 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.761 2.858 3.685 1.00 16.06 C ATOM 1133 C LEU A 71 -9.986 4.356 3.783 1.00 18.09 C ATOM 1134 O LEU A 71 -9.672 5.045 4.736 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.087 2.065 3.846 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.954 0.605 3.277 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.392 0.129 3.293 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.490 0.673 1.764 1.00 19.57 C ATOM 0 H LEU A 71 -9.113 2.666 5.670 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.351 2.651 2.697 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.362 2.023 4.900 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.891 2.588 3.327 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.251 -0.018 3.830 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.442 -0.892 2.914 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.773 0.156 4.314 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.998 0.780 2.662 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.397 -0.338 1.366 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.227 1.226 1.182 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.526 1.178 1.701 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.463 4.927 2.702 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.550 6.352 2.443 1.00 25.83 C ATOM 1152 C ARG A 72 -11.708 7.015 3.217 1.00 27.74 C ATOM 1153 O ARG A 72 -12.761 6.418 3.391 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.732 6.690 0.968 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.720 8.174 0.551 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.923 8.270 -0.987 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.936 9.739 -1.349 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.428 10.274 -2.472 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.652 9.551 -3.259 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.643 11.576 -2.831 1.00 35.02 N ATOM 0 H ARG A 72 -10.826 4.374 1.926 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.591 6.743 2.783 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.945 6.182 0.411 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.680 6.261 0.643 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.510 8.717 1.069 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.775 8.637 0.836 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.121 7.752 -1.513 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.858 7.793 -1.282 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.368 10.379 -0.682 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.437 8.584 -3.015 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.268 9.959 -4.111 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.209 12.182 -2.237 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.238 11.941 -3.693 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.551 8.283 3.622 1.00 28.93 N ATOM 1175 CA LEU A 73 -12.463 8.905 4.539 1.00 30.76 C ATOM 1176 C LEU A 73 -13.108 10.055 3.817 1.00 32.18 C ATOM 1177 O LEU A 73 -12.469 10.754 3.055 1.00 32.31 O ATOM 1178 CB LEU A 73 -11.708 9.573 5.754 1.00 30.53 C ATOM 1179 CG LEU A 73 -11.001 8.499 6.655 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -9.980 9.196 7.643 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -12.009 7.592 7.421 1.00 29.11 C ATOM 0 H LEU A 73 -10.788 8.886 3.315 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.156 8.141 4.893 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -10.967 10.279 5.379 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -12.417 10.143 6.355 1.00 30.53 H new ATOM 0 HG LEU A 73 -10.447 7.835 5.991 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -9.498 8.439 8.261 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -9.224 9.730 7.068 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -10.514 9.899 8.282 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -11.461 6.870 8.027 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -12.634 8.208 8.068 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -12.638 7.062 6.706 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.386 10.274 4.099 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.133 11.387 3.534 1.00 35.33 C ATOM 1195 C ARG A 74 -14.681 12.669 4.227 1.00 36.22 C ATOM 1196 O ARG A 74 -14.754 13.718 3.575 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.674 11.314 3.599 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.370 10.057 2.949 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.425 10.102 1.448 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.976 8.821 1.005 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.082 8.461 -0.254 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.972 9.334 -1.256 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.312 7.165 -0.502 1.00 41.93 N ATOM 0 H ARG A 74 -14.933 9.684 4.726 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.906 11.354 2.468 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.969 11.358 4.647 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.074 12.207 3.118 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.836 9.158 3.257 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.385 9.974 3.338 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.049 10.929 1.109 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.431 10.260 1.030 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.298 8.167 1.718 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.800 10.319 -1.057 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.060 9.016 -2.221 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.397 6.505 0.271 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.402 6.838 -1.464 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.226 12.623 5.504 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.863 13.903 6.140 1.00 36.07 C ATOM 1219 C GLY A 75 -12.480 14.361 5.922 1.00 36.16 C ATOM 1220 O GLY A 75 -12.170 15.401 6.421 1.00 36.26 O ATOM 0 H GLY A 75 -14.109 11.784 6.072 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.542 14.673 5.775 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.031 13.813 7.213 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.669 13.624 5.165 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.329 14.066 4.799 1.00 36.19 C ATOM 1226 C GLY A 76 -9.498 12.958 4.227 1.00 36.20 C ATOM 1227 O GLY A 76 -9.135 13.090 3.051 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.231 11.931 4.878 1.00 0.00 O ATOM 0 H GLY A 76 -11.922 12.709 4.791 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -10.402 14.874 4.071 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -9.831 14.473 5.679 1.00 36.19 H new TER 1232 GLY A 76