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 6 LYS NZ :NH3+ 150:sc= 0.988 (180deg=-0.0831) USER MOD Set 1.2: A 12 THR OG1 : rot 163:sc= 0.862 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -172:sc=-0.00717 (180deg=-0.0182) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.95 (180deg=0.304!) USER MOD Single : A 2 GLN : amide:sc= 0.0614 X(o=0.061,f=-0.094) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 1.29 (180deg=1.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 1.29 (180deg=0.0711) USER MOD Single : A 31 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0797) USER MOD Single : A 40 GLN : amide:sc= -0.0068 K(o=-0.0068,f=-0.87) USER MOD Single : A 41 GLN : amide:sc= 0.812 K(o=0.81,f=-2.9!) 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 -54:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 96:sc= 0.468 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 0.855 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.253 -7.303 -4.811 1.00 9.67 N ATOM 2 CA MET A 1 11.239 -7.977 -3.555 1.00 10.38 C ATOM 3 C MET A 1 9.800 -8.150 -3.022 1.00 9.62 C ATOM 4 O MET A 1 8.904 -7.353 -3.337 1.00 9.62 O ATOM 5 CB MET A 1 11.983 -7.043 -2.573 1.00 13.77 C ATOM 6 CG MET A 1 11.343 -5.618 -2.423 1.00 16.29 C ATOM 7 SD MET A 1 12.423 -4.317 -1.701 1.00 17.17 S ATOM 8 CE MET A 1 11.016 -3.362 -0.949 1.00 16.11 C ATOM 0 H1 MET A 1 12.183 -6.862 -4.958 1.00 9.67 H new ATOM 0 H2 MET A 1 11.070 -7.986 -5.574 1.00 9.67 H new ATOM 0 H3 MET A 1 10.516 -6.569 -4.819 1.00 9.67 H new ATOM 0 HA MET A 1 11.690 -8.964 -3.657 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.016 -7.518 -1.593 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.014 -6.931 -2.908 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.015 -5.284 -3.407 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.451 -5.706 -1.803 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.388 -2.417 -0.553 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.262 -3.165 -1.711 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.572 -3.944 -0.141 1.00 16.11 H new ATOM 20 N GLN A 2 9.560 -9.221 -2.236 1.00 9.27 N ATOM 21 CA GLN A 2 8.326 -9.359 -1.526 1.00 9.07 C ATOM 22 C GLN A 2 8.049 -8.392 -0.408 1.00 8.72 C ATOM 23 O GLN A 2 8.920 -8.051 0.360 1.00 8.22 O ATOM 24 CB GLN A 2 8.082 -10.794 -0.874 1.00 14.46 C ATOM 25 CG GLN A 2 8.367 -11.995 -1.825 1.00 17.01 C ATOM 26 CD GLN A 2 7.119 -12.145 -2.768 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.191 -12.934 -2.438 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.148 -11.496 -3.992 1.00 19.49 N ATOM 0 H GLN A 2 10.219 -9.986 -2.094 1.00 9.27 H new ATOM 0 HA GLN A 2 7.656 -9.155 -2.362 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.713 -10.889 0.010 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.048 -10.853 -0.535 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.271 -11.818 -2.408 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.530 -12.909 -1.253 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.918 -10.866 -4.217 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.399 -11.648 -4.668 1.00 19.49 H new ATOM 37 N ILE A 3 6.794 -7.933 -0.250 1.00 5.87 N ATOM 38 CA ILE A 3 6.320 -7.028 0.864 1.00 5.07 C ATOM 39 C ILE A 3 4.905 -7.516 1.251 1.00 4.01 C ATOM 40 O ILE A 3 4.296 -8.250 0.498 1.00 4.61 O ATOM 41 CB ILE A 3 6.143 -5.504 0.549 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.139 -5.206 -0.665 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.566 -4.924 0.257 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.919 -3.676 -0.770 1.00 10.83 C ATOM 0 H ILE A 3 6.046 -8.176 -0.900 1.00 5.87 H new ATOM 0 HA ILE A 3 7.104 -7.092 1.619 1.00 5.07 H new ATOM 0 HB ILE A 3 5.683 -5.021 1.411 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.550 -5.593 -1.598 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.188 -5.713 -0.501 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.486 -3.860 0.032 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.202 -5.063 1.131 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.003 -5.443 -0.596 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.237 -3.462 -1.593 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.491 -3.305 0.161 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.874 -3.183 -0.952 1.00 10.83 H new ATOM 56 N PHE A 4 4.502 -7.178 2.465 1.00 4.55 N ATOM 57 CA PHE A 4 3.255 -7.622 3.034 1.00 4.68 C ATOM 58 C PHE A 4 2.290 -6.525 3.354 1.00 5.30 C ATOM 59 O PHE A 4 2.725 -5.495 3.901 1.00 5.58 O ATOM 60 CB PHE A 4 3.496 -8.406 4.348 1.00 4.83 C ATOM 61 CG PHE A 4 4.570 -9.490 4.224 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.392 -10.604 3.422 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.748 -9.357 4.957 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.356 -11.597 3.333 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.694 -10.402 4.930 1.00 10.61 C ATOM 66 CZ PHE A 4 6.511 -11.557 4.109 1.00 8.90 C ATOM 0 H PHE A 4 5.045 -6.578 3.086 1.00 4.55 H new ATOM 0 HA PHE A 4 2.817 -8.247 2.256 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.786 -7.706 5.131 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.560 -8.867 4.663 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.480 -10.702 2.852 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.934 -8.466 5.538 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.208 -12.418 2.648 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.579 -10.328 5.545 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.233 -12.360 4.091 1.00 8.90 H new ATOM 76 N VAL A 5 0.987 -6.666 2.915 1.00 4.44 N ATOM 77 CA VAL A 5 -0.037 -5.708 3.129 1.00 3.87 C ATOM 78 C VAL A 5 -1.029 -6.309 4.083 1.00 4.93 C ATOM 79 O VAL A 5 -1.489 -7.443 3.792 1.00 6.84 O ATOM 80 CB VAL A 5 -0.711 -5.251 1.810 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.974 -4.484 2.115 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.283 -4.314 1.054 1.00 9.13 C ATOM 0 H VAL A 5 0.668 -7.485 2.397 1.00 4.44 H new ATOM 0 HA VAL A 5 0.396 -4.803 3.554 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.961 -6.120 1.202 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.441 -4.167 1.183 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.663 -5.123 2.667 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.731 -3.608 2.716 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.171 -3.979 0.121 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.513 -3.449 1.676 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.202 -4.858 0.836 1.00 9.13 H new ATOM 92 N LYS A 6 -1.268 -5.654 5.216 1.00 6.04 N ATOM 93 CA LYS A 6 -2.018 -6.253 6.319 1.00 6.12 C ATOM 94 C LYS A 6 -3.160 -5.335 6.739 1.00 6.57 C ATOM 95 O LYS A 6 -3.281 -4.194 6.279 1.00 5.76 O ATOM 96 CB LYS A 6 -1.171 -6.637 7.550 1.00 7.45 C ATOM 97 CG LYS A 6 -0.219 -7.805 7.137 1.00 11.12 C ATOM 98 CD LYS A 6 0.502 -8.338 8.350 1.00 14.54 C ATOM 99 CE LYS A 6 1.761 -9.196 8.072 1.00 18.84 C ATOM 100 NZ LYS A 6 1.513 -10.615 7.890 1.00 20.55 N ATOM 0 H LYS A 6 -0.951 -4.701 5.396 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.403 -7.194 5.926 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.594 -5.780 7.898 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.815 -6.944 8.375 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.793 -8.603 6.665 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.503 -7.453 6.400 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.793 -7.493 8.974 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.200 -8.937 8.931 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.253 -8.812 7.179 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.458 -9.068 8.900 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.227 -11.012 7.247 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.568 -11.098 8.809 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.566 -10.753 7.483 1.00 20.55 H new ATOM 114 N THR A 7 -4.152 -5.795 7.538 1.00 7.41 N ATOM 115 CA THR A 7 -5.347 -5.019 8.010 1.00 7.48 C ATOM 116 C THR A 7 -5.612 -5.208 9.477 1.00 8.75 C ATOM 117 O THR A 7 -5.085 -6.096 10.105 1.00 8.58 O ATOM 118 CB THR A 7 -6.559 -5.513 7.249 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.946 -6.855 7.460 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.305 -5.389 5.742 1.00 9.17 C ATOM 0 H THR A 7 -4.151 -6.752 7.891 1.00 7.41 H new ATOM 0 HA THR A 7 -5.150 -3.961 7.836 1.00 7.48 H new ATOM 0 HB THR A 7 -7.362 -4.883 7.633 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.738 -7.056 6.919 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.178 -5.745 5.195 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.119 -4.345 5.489 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.437 -5.989 5.469 1.00 9.17 H new ATOM 128 N LEU A 8 -6.454 -4.333 10.060 1.00 9.84 N ATOM 129 CA LEU A 8 -6.895 -4.418 11.425 1.00 14.15 C ATOM 130 C LEU A 8 -7.387 -5.819 11.870 1.00 17.37 C ATOM 131 O LEU A 8 -7.058 -6.371 12.917 1.00 17.01 O ATOM 132 CB LEU A 8 -8.006 -3.395 11.699 1.00 16.63 C ATOM 133 CG LEU A 8 -8.531 -3.179 13.216 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.407 -2.627 14.103 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.764 -2.291 13.288 1.00 18.59 C ATOM 0 H LEU A 8 -6.845 -3.533 9.562 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.003 -4.202 12.013 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.659 -2.429 11.332 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.867 -3.676 11.092 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.828 -4.158 13.592 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.779 -2.489 15.118 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.574 -3.330 14.115 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.068 -1.670 13.707 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.072 -2.180 14.328 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.531 -1.311 12.872 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.573 -2.745 12.716 1.00 18.59 H new ATOM 147 N THR A 9 -8.114 -6.517 11.007 1.00 18.33 N ATOM 148 CA THR A 9 -8.661 -7.891 11.213 1.00 19.24 C ATOM 149 C THR A 9 -7.708 -8.922 10.713 1.00 19.48 C ATOM 150 O THR A 9 -7.933 -10.114 10.790 1.00 23.14 O ATOM 151 CB THR A 9 -10.048 -8.126 10.594 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.219 -7.911 9.155 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.241 -7.335 11.271 1.00 19.70 C ATOM 0 H THR A 9 -8.362 -6.139 10.093 1.00 18.33 H new ATOM 0 HA THR A 9 -8.788 -7.984 12.292 1.00 19.24 H new ATOM 0 HB THR A 9 -10.091 -9.196 10.797 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.147 -8.099 8.904 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.173 -7.573 10.758 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.320 -7.623 12.319 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.052 -6.264 11.203 1.00 19.70 H new ATOM 161 N GLY A 10 -6.505 -8.550 10.395 1.00 19.43 N ATOM 162 CA GLY A 10 -5.395 -9.470 10.283 1.00 18.74 C ATOM 163 C GLY A 10 -5.155 -10.188 8.980 1.00 17.62 C ATOM 164 O GLY A 10 -4.203 -10.950 8.853 1.00 19.74 O ATOM 0 H GLY A 10 -6.254 -7.581 10.201 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.487 -8.917 10.523 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.520 -10.229 11.056 1.00 18.74 H new ATOM 168 N LYS A 11 -5.954 -9.891 7.935 1.00 13.56 N ATOM 169 CA LYS A 11 -5.766 -10.378 6.593 1.00 11.91 C ATOM 170 C LYS A 11 -4.393 -10.044 6.032 1.00 10.18 C ATOM 171 O LYS A 11 -4.014 -8.867 6.074 1.00 9.10 O ATOM 172 CB LYS A 11 -6.791 -9.878 5.575 1.00 13.43 C ATOM 173 CG LYS A 11 -6.688 -10.430 4.170 1.00 16.69 C ATOM 174 CD LYS A 11 -7.706 -9.778 3.214 1.00 17.92 C ATOM 175 CE LYS A 11 -7.636 -10.294 1.802 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.566 -9.520 1.006 1.00 21.93 N ATOM 0 H LYS A 11 -6.769 -9.284 8.027 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.890 -11.454 6.718 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.786 -10.106 5.956 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.712 -8.792 5.519 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.679 -10.267 3.790 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.851 -11.508 4.192 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.711 -9.944 3.601 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.542 -8.700 3.205 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.624 -10.198 1.409 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.892 -11.353 1.768 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.324 -9.615 -0.001 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.533 -9.869 1.164 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.510 -8.519 1.283 1.00 21.93 H new ATOM 190 N THR A 12 -3.620 -11.006 5.388 1.00 9.63 N ATOM 191 CA THR A 12 -2.235 -10.801 4.868 1.00 9.85 C ATOM 192 C THR A 12 -2.275 -11.129 3.406 1.00 11.66 C ATOM 193 O THR A 12 -2.567 -12.205 2.908 1.00 12.33 O ATOM 194 CB THR A 12 -1.224 -11.751 5.475 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.012 -11.451 6.817 1.00 10.91 O ATOM 196 CG2 THR A 12 0.134 -11.733 4.783 1.00 9.63 C ATOM 0 H THR A 12 -3.964 -11.952 5.223 1.00 9.63 H new ATOM 0 HA THR A 12 -1.937 -9.779 5.103 1.00 9.85 H new ATOM 0 HB THR A 12 -1.660 -12.742 5.348 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.584 -12.214 7.259 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.803 -12.439 5.275 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.013 -12.016 3.737 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.559 -10.731 4.841 1.00 9.63 H new ATOM 204 N ILE A 13 -1.947 -10.115 2.594 1.00 10.42 N ATOM 205 CA ILE A 13 -1.581 -10.393 1.196 1.00 11.84 C ATOM 206 C ILE A 13 -0.200 -10.028 0.871 1.00 10.55 C ATOM 207 O ILE A 13 0.420 -9.201 1.624 1.00 11.92 O ATOM 208 CB ILE A 13 -2.469 -9.671 0.132 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.489 -8.108 0.171 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.882 -10.162 0.342 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.362 -7.474 -0.976 1.00 16.46 C ATOM 0 H ILE A 13 -1.927 -9.132 2.864 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.732 -11.471 1.139 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.033 -9.915 -0.837 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.874 -7.779 1.136 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.468 -7.735 0.091 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.544 -9.685 -0.380 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.916 -11.243 0.206 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.207 -9.913 1.352 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.336 -6.387 -0.895 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.964 -7.775 -1.945 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.391 -7.820 -0.883 1.00 16.46 H new ATOM 223 N THR A 14 0.386 -10.672 -0.172 1.00 9.39 N ATOM 224 CA THR A 14 1.815 -10.644 -0.448 1.00 9.63 C ATOM 225 C THR A 14 2.152 -10.131 -1.830 1.00 11.20 C ATOM 226 O THR A 14 1.687 -10.631 -2.864 1.00 11.63 O ATOM 227 CB THR A 14 2.345 -12.040 -0.442 1.00 10.38 C ATOM 228 OG1 THR A 14 2.108 -12.610 0.782 1.00 16.30 O ATOM 229 CG2 THR A 14 3.907 -11.936 -0.491 1.00 11.66 C ATOM 0 H THR A 14 -0.143 -11.228 -0.844 1.00 9.39 H new ATOM 0 HA THR A 14 2.243 -9.993 0.315 1.00 9.63 H new ATOM 0 HB THR A 14 1.896 -12.600 -1.262 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.453 -13.527 0.788 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.339 -12.937 -0.488 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.209 -11.413 -1.399 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.262 -11.385 0.380 1.00 11.66 H new ATOM 237 N LEU A 15 2.864 -8.987 -1.941 1.00 8.29 N ATOM 238 CA LEU A 15 3.116 -8.378 -3.186 1.00 9.03 C ATOM 239 C LEU A 15 4.631 -8.415 -3.548 1.00 8.59 C ATOM 240 O LEU A 15 5.484 -8.345 -2.708 1.00 7.79 O ATOM 241 CB LEU A 15 2.580 -6.924 -3.314 1.00 11.08 C ATOM 242 CG LEU A 15 1.061 -6.705 -3.249 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.596 -6.783 -1.803 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.734 -5.346 -3.861 1.00 15.27 C ATOM 0 H LEU A 15 3.264 -8.490 -1.145 1.00 8.29 H new ATOM 0 HA LEU A 15 2.553 -8.979 -3.900 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.037 -6.329 -2.523 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.935 -6.520 -4.262 1.00 11.08 H new ATOM 0 HG LEU A 15 0.540 -7.479 -3.813 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.482 -6.627 -1.759 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.838 -7.765 -1.395 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.098 -6.013 -1.217 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.342 -5.178 -3.821 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.244 -4.562 -3.301 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.066 -5.325 -4.899 1.00 15.27 H new ATOM 256 N GLU A 16 4.934 -8.571 -4.799 1.00 11.04 N ATOM 257 CA GLU A 16 6.256 -8.374 -5.370 1.00 11.50 C ATOM 258 C GLU A 16 6.246 -6.934 -5.904 1.00 10.13 C ATOM 259 O GLU A 16 5.349 -6.522 -6.654 1.00 9.83 O ATOM 260 CB GLU A 16 6.409 -9.386 -6.556 1.00 17.22 C ATOM 261 CG GLU A 16 7.722 -9.257 -7.330 1.00 23.33 C ATOM 262 CD GLU A 16 8.990 -9.442 -6.534 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.109 -10.435 -5.767 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.870 -8.625 -6.737 1.00 28.86 O ATOM 0 H GLU A 16 4.242 -8.852 -5.494 1.00 11.04 H new ATOM 0 HA GLU A 16 7.070 -8.529 -4.662 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.330 -10.400 -6.165 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.578 -9.245 -7.247 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.716 -9.989 -8.138 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.750 -8.271 -7.793 1.00 23.33 H new ATOM 271 N VAL A 17 7.267 -6.106 -5.509 1.00 8.99 N ATOM 272 CA VAL A 17 7.482 -4.759 -5.913 1.00 8.85 C ATOM 273 C VAL A 17 8.981 -4.486 -6.198 1.00 8.04 C ATOM 274 O VAL A 17 9.859 -5.286 -5.892 1.00 8.99 O ATOM 275 CB VAL A 17 7.127 -3.781 -4.837 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.597 -3.807 -4.722 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.803 -4.168 -3.501 1.00 10.54 C ATOM 0 H VAL A 17 7.984 -6.426 -4.857 1.00 8.99 H new ATOM 0 HA VAL A 17 6.857 -4.632 -6.797 1.00 8.85 H new ATOM 0 HB VAL A 17 7.479 -2.778 -5.077 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.278 -3.109 -3.948 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.155 -3.518 -5.676 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.269 -4.813 -4.461 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.532 -3.444 -2.733 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.469 -5.161 -3.198 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.885 -4.173 -3.629 1.00 10.54 H new ATOM 287 N GLU A 18 9.346 -3.304 -6.661 1.00 7.29 N ATOM 288 CA GLU A 18 10.712 -2.814 -6.694 1.00 7.08 C ATOM 289 C GLU A 18 10.665 -1.471 -5.968 1.00 6.45 C ATOM 290 O GLU A 18 9.682 -0.744 -6.085 1.00 5.28 O ATOM 291 CB GLU A 18 11.160 -2.544 -8.126 1.00 10.28 C ATOM 292 CG GLU A 18 11.463 -3.755 -9.015 1.00 12.65 C ATOM 293 CD GLU A 18 12.648 -4.531 -8.536 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.764 -3.998 -8.436 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.393 -5.722 -8.120 1.00 18.17 O ATOM 0 H GLU A 18 8.675 -2.635 -7.038 1.00 7.29 H new ATOM 0 HA GLU A 18 11.395 -3.538 -6.250 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.385 -1.954 -8.615 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.055 -1.924 -8.087 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.591 -4.409 -9.043 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.642 -3.417 -10.036 1.00 12.65 H new ATOM 302 N PRO A 19 11.691 -1.032 -5.209 1.00 7.24 N ATOM 303 CA PRO A 19 11.786 0.247 -4.454 1.00 7.07 C ATOM 304 C PRO A 19 11.447 1.524 -5.180 1.00 6.65 C ATOM 305 O PRO A 19 11.254 2.598 -4.570 1.00 6.37 O ATOM 306 CB PRO A 19 13.292 0.233 -4.075 1.00 7.61 C ATOM 307 CG PRO A 19 13.738 -1.228 -3.954 1.00 8.16 C ATOM 308 CD PRO A 19 12.880 -1.849 -5.086 1.00 7.49 C ATOM 0 HA PRO A 19 11.051 0.270 -3.650 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.880 0.749 -4.834 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.453 0.759 -3.134 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.808 -1.355 -4.121 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.515 -1.655 -2.976 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.434 -1.868 -6.024 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.617 -2.880 -4.850 1.00 7.49 H new ATOM 316 N SER A 20 11.497 1.445 -6.525 1.00 6.80 N ATOM 317 CA SER A 20 11.192 2.525 -7.443 1.00 6.28 C ATOM 318 C SER A 20 9.695 2.636 -7.815 1.00 8.45 C ATOM 319 O SER A 20 9.341 3.662 -8.447 1.00 7.26 O ATOM 320 CB SER A 20 12.037 2.327 -8.700 1.00 8.57 C ATOM 321 OG SER A 20 12.012 1.011 -9.204 1.00 11.13 O ATOM 0 H SER A 20 11.763 0.586 -7.006 1.00 6.80 H new ATOM 0 HA SER A 20 11.431 3.462 -6.941 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.684 3.009 -9.474 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.069 2.601 -8.479 1.00 8.57 H new ATOM 0 HG SER A 20 12.571 0.958 -10.007 1.00 11.13 H new ATOM 327 N ASP A 21 8.852 1.661 -7.454 1.00 7.50 N ATOM 328 CA ASP A 21 7.413 1.770 -7.509 1.00 7.70 C ATOM 329 C ASP A 21 6.818 2.814 -6.620 1.00 7.08 C ATOM 330 O ASP A 21 7.212 3.002 -5.470 1.00 8.11 O ATOM 331 CB ASP A 21 6.668 0.467 -7.223 1.00 11.00 C ATOM 332 CG ASP A 21 7.023 -0.530 -8.246 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.056 -0.145 -9.458 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.308 -1.699 -7.932 1.00 14.36 O ATOM 0 H ASP A 21 9.173 0.757 -7.109 1.00 7.50 H new ATOM 0 HA ASP A 21 7.272 2.062 -8.550 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.928 0.096 -6.231 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.592 0.641 -7.226 1.00 11.00 H new ATOM 339 N THR A 22 5.797 3.583 -7.092 1.00 5.37 N ATOM 340 CA THR A 22 5.049 4.370 -6.199 1.00 6.01 C ATOM 341 C THR A 22 3.964 3.606 -5.422 1.00 8.01 C ATOM 342 O THR A 22 3.547 2.481 -5.710 1.00 8.11 O ATOM 343 CB THR A 22 4.432 5.530 -6.873 1.00 8.92 C ATOM 344 OG1 THR A 22 3.466 5.175 -7.846 1.00 10.22 O ATOM 345 CG2 THR A 22 5.446 6.409 -7.656 1.00 9.65 C ATOM 0 H THR A 22 5.514 3.643 -8.070 1.00 5.37 H new ATOM 0 HA THR A 22 5.785 4.707 -5.469 1.00 6.01 H new ATOM 0 HB THR A 22 3.989 6.067 -6.034 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.096 5.987 -8.252 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.920 7.241 -8.124 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.199 6.796 -6.969 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.931 5.808 -8.425 1.00 9.65 H new ATOM 353 N ILE A 23 3.468 4.253 -4.369 1.00 8.32 N ATOM 354 CA ILE A 23 2.326 3.865 -3.557 1.00 9.92 C ATOM 355 C ILE A 23 1.053 3.689 -4.438 1.00 10.01 C ATOM 356 O ILE A 23 0.236 2.758 -4.273 1.00 8.71 O ATOM 357 CB ILE A 23 2.202 4.800 -2.370 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.458 5.009 -1.535 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.094 4.335 -1.417 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.234 3.770 -1.009 1.00 12.30 C ATOM 0 H ILE A 23 3.887 5.123 -4.041 1.00 8.32 H new ATOM 0 HA ILE A 23 2.471 2.877 -3.120 1.00 9.92 H new ATOM 0 HB ILE A 23 1.977 5.756 -2.843 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.152 5.603 -2.130 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.181 5.613 -0.671 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.026 5.023 -0.574 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.142 4.316 -1.948 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.325 3.335 -1.051 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.100 4.100 -0.435 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.580 3.175 -0.371 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.567 3.164 -1.852 1.00 12.30 H new ATOM 372 N GLU A 24 0.923 4.637 -5.428 1.00 9.54 N ATOM 373 CA GLU A 24 -0.110 4.437 -6.429 1.00 11.81 C ATOM 374 C GLU A 24 0.034 3.141 -7.245 1.00 11.14 C ATOM 375 O GLU A 24 -0.887 2.390 -7.438 1.00 10.62 O ATOM 376 CB GLU A 24 -0.232 5.669 -7.348 1.00 19.24 C ATOM 377 CG GLU A 24 -1.411 5.581 -8.381 1.00 27.76 C ATOM 378 CD GLU A 24 -1.386 6.776 -9.286 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.582 7.889 -8.765 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.212 6.684 -10.528 1.00 34.80 O ATOM 0 H GLU A 24 1.490 5.479 -5.528 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.038 4.317 -5.870 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.368 6.557 -6.731 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.704 5.799 -7.891 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.324 4.667 -8.968 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.364 5.532 -7.855 1.00 27.76 H new ATOM 387 N ASN A 25 1.290 2.845 -7.706 1.00 9.43 N ATOM 388 CA ASN A 25 1.534 1.595 -8.387 1.00 10.96 C ATOM 389 C ASN A 25 1.236 0.309 -7.484 1.00 9.68 C ATOM 390 O ASN A 25 0.619 -0.644 -7.917 1.00 9.33 O ATOM 391 CB ASN A 25 2.976 1.622 -9.005 1.00 16.78 C ATOM 392 CG ASN A 25 3.106 0.484 -9.990 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.309 -0.673 -9.600 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.983 0.720 -11.315 1.00 24.70 N ATOM 0 H ASN A 25 2.104 3.452 -7.608 1.00 9.43 H new ATOM 0 HA ASN A 25 0.818 1.495 -9.203 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.155 2.575 -9.504 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.725 1.528 -8.219 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.058 -0.050 -11.979 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.816 1.669 -11.651 1.00 24.70 H new ATOM 401 N VAL A 26 1.658 0.306 -6.250 1.00 6.52 N ATOM 402 CA VAL A 26 1.320 -0.775 -5.269 1.00 5.53 C ATOM 403 C VAL A 26 -0.256 -0.931 -5.009 1.00 4.42 C ATOM 404 O VAL A 26 -0.707 -2.062 -5.034 1.00 3.40 O ATOM 405 CB VAL A 26 1.997 -0.643 -3.859 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.698 -1.828 -2.915 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.512 -0.664 -4.107 1.00 8.12 C ATOM 0 H VAL A 26 2.250 1.040 -5.862 1.00 6.52 H new ATOM 0 HA VAL A 26 1.723 -1.654 -5.772 1.00 5.53 H new ATOM 0 HB VAL A 26 1.618 0.264 -3.389 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.198 -1.668 -1.960 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.623 -1.902 -2.753 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.062 -2.752 -3.365 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.038 -0.575 -3.156 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.789 -1.602 -4.588 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.787 0.170 -4.753 1.00 8.12 H new ATOM 417 N LYS A 27 -1.077 0.181 -4.824 1.00 2.64 N ATOM 418 CA LYS A 27 -2.482 -0.005 -4.709 1.00 4.14 C ATOM 419 C LYS A 27 -3.177 -0.498 -5.983 1.00 5.58 C ATOM 420 O LYS A 27 -4.231 -1.117 -6.023 1.00 4.11 O ATOM 421 CB LYS A 27 -3.114 1.323 -4.257 1.00 3.97 C ATOM 422 CG LYS A 27 -2.522 1.740 -2.876 1.00 7.45 C ATOM 423 CD LYS A 27 -3.155 2.880 -2.130 1.00 9.02 C ATOM 424 CE LYS A 27 -3.013 4.156 -2.952 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.440 5.302 -2.146 1.00 15.47 N ATOM 0 H LYS A 27 -0.754 1.147 -4.761 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.629 -0.800 -3.978 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.921 2.100 -4.997 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.196 1.216 -4.183 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.551 0.865 -2.227 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.472 1.989 -3.029 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.208 2.668 -1.943 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.678 3.004 -1.158 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.978 4.285 -3.268 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.617 4.088 -3.857 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.203 6.184 -2.644 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.468 5.256 -1.994 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.953 5.281 -1.227 1.00 15.47 H new ATOM 439 N ALA A 28 -2.572 -0.250 -7.205 1.00 6.61 N ATOM 440 CA ALA A 28 -3.035 -0.651 -8.524 1.00 7.74 C ATOM 441 C ALA A 28 -2.664 -2.120 -8.667 1.00 9.17 C ATOM 442 O ALA A 28 -3.410 -2.928 -9.297 1.00 11.45 O ATOM 443 CB ALA A 28 -2.350 0.304 -9.560 1.00 7.68 C ATOM 0 H ALA A 28 -1.696 0.270 -7.258 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.109 -0.565 -8.687 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.670 0.038 -10.567 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.635 1.335 -9.349 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.267 0.205 -9.486 1.00 7.68 H new ATOM 449 N LYS A 29 -1.511 -2.595 -8.099 1.00 8.96 N ATOM 450 CA LYS A 29 -1.280 -4.023 -8.037 1.00 7.90 C ATOM 451 C LYS A 29 -2.165 -4.828 -7.056 1.00 6.92 C ATOM 452 O LYS A 29 -2.601 -5.959 -7.323 1.00 6.87 O ATOM 453 CB LYS A 29 0.206 -4.270 -7.702 1.00 10.28 C ATOM 454 CG LYS A 29 0.686 -5.760 -7.807 1.00 14.94 C ATOM 455 CD LYS A 29 2.227 -5.807 -7.606 1.00 19.69 C ATOM 456 CE LYS A 29 2.914 -5.368 -8.941 1.00 22.63 C ATOM 457 NZ LYS A 29 4.357 -5.260 -8.844 1.00 24.98 N ATOM 0 H LYS A 29 -0.773 -2.015 -7.701 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.562 -4.396 -9.022 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.816 -3.663 -8.370 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.395 -3.917 -6.688 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.189 -6.370 -7.053 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.420 -6.174 -8.779 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.523 -5.146 -6.792 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.543 -6.813 -7.330 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.664 -6.086 -9.722 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.506 -4.406 -9.250 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.784 -5.472 -9.768 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.614 -4.294 -8.557 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.709 -5.937 -8.137 1.00 24.98 H new ATOM 471 N ILE A 30 -2.594 -4.230 -5.953 1.00 4.57 N ATOM 472 CA ILE A 30 -3.571 -4.800 -5.010 1.00 5.58 C ATOM 473 C ILE A 30 -4.938 -4.751 -5.650 1.00 7.26 C ATOM 474 O ILE A 30 -5.760 -5.607 -5.390 1.00 9.46 O ATOM 475 CB ILE A 30 -3.597 -4.020 -3.676 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.269 -4.130 -2.964 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.669 -4.648 -2.699 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.175 -3.195 -1.755 1.00 2.00 C ATOM 0 H ILE A 30 -2.267 -3.305 -5.673 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.284 -5.827 -4.787 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.829 -2.982 -3.917 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.120 -5.159 -2.637 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.465 -3.898 -3.663 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.678 -4.090 -1.762 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.655 -4.599 -3.161 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.414 -5.689 -2.499 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.202 -3.313 -1.279 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.296 -2.163 -2.083 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.961 -3.443 -1.041 1.00 2.00 H new ATOM 490 N GLN A 31 -5.265 -3.776 -6.553 1.00 7.06 N ATOM 491 CA GLN A 31 -6.502 -3.862 -7.284 1.00 8.67 C ATOM 492 C GLN A 31 -6.512 -5.149 -8.201 1.00 10.90 C ATOM 493 O GLN A 31 -7.441 -5.984 -8.132 1.00 9.63 O ATOM 494 CB GLN A 31 -6.707 -2.638 -8.231 1.00 9.12 C ATOM 495 CG GLN A 31 -8.102 -2.677 -8.922 1.00 10.76 C ATOM 496 CD GLN A 31 -8.275 -1.458 -9.854 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.320 -0.857 -9.782 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.282 -1.131 -10.692 1.00 14.76 N ATOM 0 H GLN A 31 -4.690 -2.961 -6.765 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.296 -3.894 -6.537 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.609 -1.715 -7.660 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.924 -2.629 -8.990 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.206 -3.598 -9.495 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.889 -2.681 -8.168 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.423 -1.681 -10.704 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.385 -0.332 -11.318 1.00 14.76 H new ATOM 507 N ASP A 32 -5.396 -5.435 -8.902 1.00 10.93 N ATOM 508 CA ASP A 32 -5.099 -6.713 -9.593 1.00 14.01 C ATOM 509 C ASP A 32 -5.264 -7.979 -8.710 1.00 14.04 C ATOM 510 O ASP A 32 -5.834 -8.978 -9.123 1.00 13.39 O ATOM 511 CB ASP A 32 -3.667 -6.818 -10.271 1.00 18.01 C ATOM 512 CG ASP A 32 -3.521 -5.662 -11.190 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.493 -5.263 -11.805 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.413 -5.066 -11.311 1.00 26.29 O ATOM 0 H ASP A 32 -4.643 -4.755 -9.008 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.861 -6.688 -10.372 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.883 -6.807 -9.514 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.570 -7.756 -10.817 1.00 18.01 H new ATOM 519 N LYS A 33 -4.883 -7.937 -7.353 1.00 14.22 N ATOM 520 CA LYS A 33 -5.184 -9.079 -6.470 1.00 14.00 C ATOM 521 C LYS A 33 -6.468 -9.201 -5.813 1.00 12.37 C ATOM 522 O LYS A 33 -7.044 -10.286 -5.820 1.00 12.17 O ATOM 523 CB LYS A 33 -4.114 -9.093 -5.327 1.00 18.62 C ATOM 524 CG LYS A 33 -2.671 -9.384 -5.882 1.00 24.00 C ATOM 525 CD LYS A 33 -1.670 -9.948 -4.864 1.00 27.61 C ATOM 526 CE LYS A 33 -0.355 -10.464 -5.548 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.615 -11.722 -6.188 1.00 30.06 N ATOM 0 H LYS A 33 -4.399 -7.158 -6.907 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.185 -9.906 -7.180 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.119 -8.132 -4.813 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.380 -9.850 -4.590 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.755 -10.088 -6.710 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.265 -8.458 -6.290 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.420 -9.176 -4.137 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.136 -10.765 -4.314 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.003 -9.737 -6.280 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.435 -10.577 -4.805 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.283 -12.148 -6.494 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.090 -12.360 -5.519 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.227 -11.571 -7.015 1.00 30.06 H new ATOM 541 N GLU A 34 -6.993 -8.114 -5.198 1.00 10.11 N ATOM 542 CA GLU A 34 -8.215 -8.215 -4.409 1.00 10.07 C ATOM 543 C GLU A 34 -9.411 -7.538 -5.111 1.00 9.32 C ATOM 544 O GLU A 34 -10.544 -7.670 -4.604 1.00 11.61 O ATOM 545 CB GLU A 34 -8.083 -7.585 -2.926 1.00 14.77 C ATOM 546 CG GLU A 34 -6.867 -8.176 -2.171 1.00 18.75 C ATOM 547 CD GLU A 34 -7.009 -9.663 -2.144 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.069 -10.202 -1.561 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.110 -10.403 -2.633 1.00 21.95 O ATOM 0 H GLU A 34 -6.588 -7.179 -5.239 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.388 -9.287 -4.315 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.979 -6.502 -2.996 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.995 -7.782 -2.362 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.938 -7.892 -2.666 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.821 -7.780 -1.156 1.00 18.75 H new ATOM 556 N GLY A 35 -9.255 -6.865 -6.282 1.00 7.22 N ATOM 557 CA GLY A 35 -10.354 -6.255 -6.967 1.00 6.29 C ATOM 558 C GLY A 35 -10.810 -4.884 -6.427 1.00 6.93 C ATOM 559 O GLY A 35 -11.856 -4.411 -6.837 1.00 7.41 O ATOM 0 H GLY A 35 -8.356 -6.748 -6.750 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.083 -6.138 -8.016 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.203 -6.938 -6.931 1.00 6.29 H new ATOM 563 N ILE A 36 -10.006 -4.176 -5.559 1.00 5.86 N ATOM 564 CA ILE A 36 -10.454 -3.035 -4.876 1.00 6.07 C ATOM 565 C ILE A 36 -9.848 -1.807 -5.529 1.00 6.36 C ATOM 566 O ILE A 36 -8.648 -1.695 -5.605 1.00 6.18 O ATOM 567 CB ILE A 36 -9.878 -2.997 -3.427 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.234 -4.243 -2.530 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.324 -1.808 -2.558 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.211 -4.453 -1.422 1.00 9.49 C ATOM 0 H ILE A 36 -9.039 -4.429 -5.354 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.544 -3.056 -4.888 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.817 -2.946 -3.673 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.222 -4.104 -2.091 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.284 -5.136 -3.152 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.863 -1.884 -1.573 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.016 -0.876 -3.031 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.409 -1.821 -2.453 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.493 -5.321 -0.826 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.227 -4.618 -1.862 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.180 -3.570 -0.784 1.00 9.49 H new ATOM 582 N PRO A 37 -10.626 -0.884 -6.079 1.00 8.65 N ATOM 583 CA PRO A 37 -10.216 0.471 -6.509 1.00 9.18 C ATOM 584 C PRO A 37 -9.032 1.162 -5.737 1.00 9.85 C ATOM 585 O PRO A 37 -9.248 1.258 -4.534 1.00 8.51 O ATOM 586 CB PRO A 37 -11.514 1.283 -6.456 1.00 11.42 C ATOM 587 CG PRO A 37 -12.632 0.306 -6.839 1.00 9.27 C ATOM 588 CD PRO A 37 -12.102 -1.016 -6.148 1.00 8.33 C ATOM 0 HA PRO A 37 -9.765 0.406 -7.499 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.678 1.694 -5.460 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.477 2.126 -7.147 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.604 0.615 -6.454 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.737 0.197 -7.918 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.529 -1.133 -5.152 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.388 -1.897 -6.723 1.00 8.33 H new ATOM 596 N PRO A 38 -7.975 1.724 -6.308 1.00 8.71 N ATOM 597 CA PRO A 38 -6.933 2.377 -5.524 1.00 9.08 C ATOM 598 C PRO A 38 -7.353 3.659 -4.750 1.00 9.28 C ATOM 599 O PRO A 38 -6.730 4.074 -3.743 1.00 6.50 O ATOM 600 CB PRO A 38 -5.978 2.850 -6.643 1.00 10.31 C ATOM 601 CG PRO A 38 -6.113 1.754 -7.706 1.00 10.81 C ATOM 602 CD PRO A 38 -7.599 1.457 -7.682 1.00 12.00 C ATOM 0 HA PRO A 38 -6.566 1.693 -4.759 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.267 3.826 -7.032 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.952 2.940 -6.285 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.783 2.097 -8.687 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.519 0.874 -7.460 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.147 2.092 -8.379 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.806 0.424 -7.961 1.00 12.00 H new ATOM 610 N ASP A 39 -8.427 4.324 -5.246 1.00 11.20 N ATOM 611 CA ASP A 39 -9.143 5.345 -4.600 1.00 14.96 C ATOM 612 C ASP A 39 -9.757 4.909 -3.244 1.00 13.99 C ATOM 613 O ASP A 39 -9.670 5.598 -2.248 1.00 13.75 O ATOM 614 CB ASP A 39 -10.248 5.883 -5.549 1.00 24.16 C ATOM 615 CG ASP A 39 -9.623 6.228 -6.881 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.391 5.221 -7.658 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.486 7.427 -7.265 1.00 35.55 O ATOM 0 H ASP A 39 -8.804 4.114 -6.170 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.430 6.135 -4.365 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.029 5.134 -5.682 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.722 6.764 -5.115 1.00 24.16 H new ATOM 622 N GLN A 40 -10.322 3.691 -3.083 1.00 11.60 N ATOM 623 CA GLN A 40 -10.828 3.176 -1.790 1.00 10.76 C ATOM 624 C GLN A 40 -9.619 2.833 -0.890 1.00 8.01 C ATOM 625 O GLN A 40 -9.650 2.905 0.308 1.00 8.96 O ATOM 626 CB GLN A 40 -11.758 2.013 -2.159 1.00 11.14 C ATOM 627 CG GLN A 40 -12.690 1.678 -1.018 1.00 14.85 C ATOM 628 CD GLN A 40 -13.346 0.298 -1.348 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.412 -0.064 -2.525 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.576 -0.471 -0.281 1.00 18.16 N ATOM 0 H GLN A 40 -10.441 3.033 -3.853 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.407 3.883 -1.196 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.340 2.275 -3.043 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.164 1.136 -2.417 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.143 1.629 -0.076 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.452 2.449 -0.904 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.496 -0.079 0.657 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -13.832 -1.451 -0.404 1.00 18.16 H new ATOM 639 N GLN A 41 -8.479 2.352 -1.424 1.00 6.52 N ATOM 640 CA GLN A 41 -7.377 1.850 -0.663 1.00 3.87 C ATOM 641 C GLN A 41 -6.490 2.975 -0.063 1.00 4.79 C ATOM 642 O GLN A 41 -6.069 3.877 -0.748 1.00 6.34 O ATOM 643 CB GLN A 41 -6.464 0.899 -1.513 1.00 4.20 C ATOM 644 CG GLN A 41 -7.243 -0.205 -2.163 1.00 3.20 C ATOM 645 CD GLN A 41 -6.136 -1.109 -2.770 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.121 -1.487 -2.176 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.334 -1.452 -4.064 1.00 7.13 N ATOM 0 H GLN A 41 -8.320 2.312 -2.431 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.832 1.292 0.155 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.952 1.480 -2.280 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.694 0.469 -0.872 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.854 -0.746 -1.441 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.918 0.175 -2.930 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.173 -1.139 -4.552 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.644 -2.024 -4.551 1.00 7.13 H new ATOM 656 N ARG A 42 -6.076 2.844 1.189 1.00 5.73 N ATOM 657 CA ARG A 42 -5.152 3.829 1.754 1.00 6.97 C ATOM 658 C ARG A 42 -4.160 3.112 2.662 1.00 7.15 C ATOM 659 O ARG A 42 -4.591 2.196 3.431 1.00 7.33 O ATOM 660 CB ARG A 42 -5.869 4.975 2.553 1.00 13.23 C ATOM 661 CG ARG A 42 -6.473 6.099 1.693 1.00 21.27 C ATOM 662 CD ARG A 42 -7.228 7.057 2.614 1.00 26.14 C ATOM 663 NE ARG A 42 -7.515 8.278 1.836 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.165 9.387 2.324 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.964 9.304 3.389 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.936 10.535 1.703 1.00 36.39 N ATOM 0 H ARG A 42 -6.352 2.092 1.820 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.644 4.310 0.918 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.664 4.534 3.155 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.152 5.416 3.246 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.687 6.630 1.156 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.147 5.683 0.944 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.152 6.601 2.968 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.631 7.294 3.495 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.208 8.301 0.864 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.101 8.407 3.855 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.438 10.137 3.737 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.303 10.565 0.904 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.393 11.389 2.024 1.00 36.39 H new ATOM 680 N LEU A 43 -2.839 3.374 2.517 1.00 4.65 N ATOM 681 CA LEU A 43 -1.790 2.619 3.160 1.00 3.51 C ATOM 682 C LEU A 43 -1.105 3.407 4.263 1.00 5.56 C ATOM 683 O LEU A 43 -0.866 4.586 4.124 1.00 4.19 O ATOM 684 CB LEU A 43 -0.677 2.121 2.180 1.00 3.74 C ATOM 685 CG LEU A 43 -1.154 0.993 1.214 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.079 0.734 0.113 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.395 -0.267 1.938 1.00 6.41 C ATOM 0 H LEU A 43 -2.489 4.135 1.935 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.311 1.755 3.573 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.319 2.965 1.591 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.170 1.756 2.761 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.086 1.328 0.759 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.425 -0.055 -0.554 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.083 1.648 -0.459 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.856 0.429 0.582 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.726 -1.032 1.236 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.473 -0.592 2.420 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.164 -0.111 2.694 1.00 6.41 H new ATOM 699 N ILE A 44 -0.817 2.743 5.350 1.00 4.58 N ATOM 700 CA ILE A 44 -0.138 3.353 6.443 1.00 5.55 C ATOM 701 C ILE A 44 1.078 2.575 6.877 1.00 5.46 C ATOM 702 O ILE A 44 1.032 1.351 7.084 1.00 6.04 O ATOM 703 CB ILE A 44 -1.139 3.489 7.587 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.543 4.044 7.209 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.494 4.324 8.740 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.469 4.095 8.410 1.00 13.90 C ATOM 0 H ILE A 44 -1.051 1.761 5.495 1.00 4.58 H new ATOM 0 HA ILE A 44 0.234 4.330 6.135 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.351 2.470 7.911 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.438 5.044 6.788 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.986 3.417 6.435 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.206 4.424 9.559 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.403 3.818 9.098 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.228 5.314 8.368 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.439 4.488 8.105 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.595 3.091 8.815 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.039 4.743 9.174 1.00 13.90 H new ATOM 718 N PHE A 45 2.236 3.198 7.077 1.00 6.75 N ATOM 719 CA PHE A 45 3.427 2.567 7.580 1.00 4.70 C ATOM 720 C PHE A 45 4.315 3.601 8.263 1.00 6.34 C ATOM 721 O PHE A 45 4.312 4.787 7.834 1.00 5.45 O ATOM 722 CB PHE A 45 4.196 1.880 6.427 1.00 5.51 C ATOM 723 CG PHE A 45 5.627 1.386 6.639 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.813 0.310 7.477 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.762 2.026 6.088 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.067 -0.257 7.755 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.040 1.566 6.424 1.00 6.64 C ATOM 728 CZ PHE A 45 8.195 0.413 7.241 1.00 6.84 C ATOM 0 H PHE A 45 2.363 4.191 6.883 1.00 6.75 H new ATOM 0 HA PHE A 45 3.143 1.808 8.310 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.603 1.022 6.110 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.217 2.580 5.592 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.943 -0.124 7.948 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.643 2.862 5.414 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.162 -1.163 8.335 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.912 2.089 6.061 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.185 0.048 7.470 1.00 6.84 H new ATOM 738 N ALA A 46 5.052 3.185 9.311 1.00 6.53 N ATOM 739 CA ALA A 46 6.003 3.940 10.056 1.00 7.15 C ATOM 740 C ALA A 46 5.485 5.327 10.457 1.00 9.00 C ATOM 741 O ALA A 46 6.114 6.393 10.341 1.00 11.15 O ATOM 742 CB ALA A 46 7.337 3.959 9.312 1.00 8.99 C ATOM 0 H ALA A 46 4.970 2.232 9.664 1.00 6.53 H new ATOM 0 HA ALA A 46 6.172 3.446 11.013 1.00 7.15 H new ATOM 0 HB1 ALA A 46 8.064 4.537 9.883 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.700 2.939 9.190 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.200 4.415 8.332 1.00 8.99 H new ATOM 748 N GLY A 47 4.257 5.249 11.014 1.00 9.35 N ATOM 749 CA GLY A 47 3.603 6.395 11.628 1.00 11.68 C ATOM 750 C GLY A 47 3.049 7.394 10.672 1.00 11.14 C ATOM 751 O GLY A 47 2.447 8.431 11.056 1.00 13.93 O ATOM 0 H GLY A 47 3.706 4.391 11.044 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.793 6.035 12.263 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.319 6.897 12.279 1.00 11.68 H new ATOM 755 N LYS A 48 3.073 7.067 9.371 1.00 10.47 N ATOM 756 CA LYS A 48 2.542 7.964 8.356 1.00 8.82 C ATOM 757 C LYS A 48 1.547 7.337 7.474 1.00 7.68 C ATOM 758 O LYS A 48 1.714 6.230 7.076 1.00 6.47 O ATOM 759 CB LYS A 48 3.610 8.733 7.502 1.00 9.74 C ATOM 760 CG LYS A 48 4.807 9.246 8.325 1.00 14.14 C ATOM 761 CD LYS A 48 5.833 9.960 7.439 1.00 16.32 C ATOM 762 CE LYS A 48 7.175 10.180 8.109 1.00 20.04 C ATOM 763 NZ LYS A 48 7.943 11.265 7.458 1.00 23.92 N ATOM 0 H LYS A 48 3.453 6.193 9.008 1.00 10.47 H new ATOM 0 HA LYS A 48 2.040 8.717 8.964 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.977 8.074 6.715 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.129 9.579 7.010 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.453 9.929 9.097 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.285 8.409 8.835 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.983 9.377 6.531 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.427 10.925 7.135 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.021 10.424 9.160 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.753 9.256 8.078 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.854 11.385 7.944 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.112 11.021 6.461 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.403 12.152 7.510 1.00 23.92 H new ATOM 777 N GLN A 49 0.361 7.996 7.284 1.00 8.89 N ATOM 778 CA GLN A 49 -0.519 7.633 6.153 1.00 7.18 C ATOM 779 C GLN A 49 0.258 7.983 4.858 1.00 8.23 C ATOM 780 O GLN A 49 0.758 9.059 4.633 1.00 9.70 O ATOM 781 CB GLN A 49 -1.846 8.442 6.172 1.00 11.67 C ATOM 782 CG GLN A 49 -2.870 7.818 5.201 1.00 15.82 C ATOM 783 CD GLN A 49 -4.200 8.552 5.374 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.086 8.003 6.029 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.276 9.775 4.847 1.00 20.67 N ATOM 0 H GLN A 49 0.013 8.749 7.878 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.778 6.576 6.215 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.256 8.457 7.182 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.652 9.477 5.891 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.520 7.903 4.172 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.992 6.755 5.409 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.490 10.152 4.317 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.120 10.334 4.974 1.00 20.67 H new ATOM 794 N LEU A 50 0.330 7.019 3.870 1.00 6.51 N ATOM 795 CA LEU A 50 1.243 7.159 2.808 1.00 7.41 C ATOM 796 C LEU A 50 0.679 7.857 1.620 1.00 8.27 C ATOM 797 O LEU A 50 -0.447 7.622 1.116 1.00 8.34 O ATOM 798 CB LEU A 50 1.862 5.764 2.313 1.00 7.13 C ATOM 799 CG LEU A 50 2.524 4.992 3.466 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.102 3.720 2.912 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.580 5.746 4.278 1.00 9.11 C ATOM 0 H LEU A 50 -0.244 6.177 3.838 1.00 6.51 H new ATOM 0 HA LEU A 50 2.032 7.774 3.241 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.075 5.153 1.872 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.598 5.950 1.530 1.00 7.13 H new ATOM 0 HG LEU A 50 1.731 4.809 4.191 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.577 3.156 3.715 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.306 3.121 2.470 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.843 3.959 2.149 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.971 5.095 5.060 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.394 6.053 3.621 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.128 6.628 4.732 1.00 9.11 H new ATOM 813 N GLU A 51 1.468 8.806 1.087 1.00 9.43 N ATOM 814 CA GLU A 51 1.062 9.552 -0.099 1.00 11.90 C ATOM 815 C GLU A 51 1.217 8.855 -1.513 1.00 11.49 C ATOM 816 O GLU A 51 2.098 7.988 -1.642 1.00 9.88 O ATOM 817 CB GLU A 51 1.866 10.880 -0.115 1.00 16.56 C ATOM 818 CG GLU A 51 1.783 11.824 1.129 1.00 26.06 C ATOM 819 CD GLU A 51 2.787 12.932 0.986 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.006 12.720 1.157 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.423 14.127 0.659 1.00 33.44 O ATOM 0 H GLU A 51 2.381 9.067 1.460 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.016 9.668 0.009 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.915 10.629 -0.270 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.543 11.451 -0.985 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.779 12.238 1.218 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.977 11.259 2.041 1.00 26.06 H new ATOM 828 N ASP A 52 0.382 9.179 -2.557 1.00 12.71 N ATOM 829 CA ASP A 52 0.290 8.565 -3.884 1.00 16.56 C ATOM 830 C ASP A 52 1.442 8.646 -4.806 1.00 15.83 C ATOM 831 O ASP A 52 1.779 7.648 -5.477 1.00 17.21 O ATOM 832 CB ASP A 52 -1.099 9.047 -4.471 1.00 21.05 C ATOM 833 CG ASP A 52 -2.216 8.347 -3.711 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.308 7.124 -3.802 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.000 9.088 -3.030 1.00 28.37 O ATOM 0 H ASP A 52 -0.289 9.941 -2.460 1.00 12.71 H new ATOM 0 HA ASP A 52 0.339 7.483 -3.760 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.196 10.128 -4.375 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.161 8.815 -5.534 1.00 21.05 H new ATOM 840 N GLY A 53 2.040 9.836 -4.802 1.00 15.00 N ATOM 841 CA GLY A 53 3.069 10.248 -5.775 1.00 11.77 C ATOM 842 C GLY A 53 4.476 10.160 -5.229 1.00 11.10 C ATOM 843 O GLY A 53 5.357 10.866 -5.647 1.00 11.25 O ATOM 0 H GLY A 53 1.825 10.558 -4.114 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.991 9.621 -6.663 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.872 11.273 -6.090 1.00 11.77 H new ATOM 847 N ARG A 54 4.658 9.292 -4.248 1.00 8.53 N ATOM 848 CA ARG A 54 5.953 8.981 -3.584 1.00 9.05 C ATOM 849 C ARG A 54 6.362 7.556 -3.770 1.00 8.96 C ATOM 850 O ARG A 54 5.538 6.670 -3.916 1.00 11.60 O ATOM 851 CB ARG A 54 5.807 9.155 -2.045 1.00 7.97 C ATOM 852 CG ARG A 54 5.213 10.479 -1.558 1.00 9.62 C ATOM 853 CD ARG A 54 6.069 11.672 -2.026 1.00 12.20 C ATOM 854 NE ARG A 54 5.469 12.745 -1.355 1.00 18.23 N ATOM 855 CZ ARG A 54 5.576 14.098 -1.469 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.249 14.686 -2.438 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.971 14.832 -0.532 1.00 23.38 N ATOM 0 H ARG A 54 3.885 8.751 -3.861 1.00 8.53 H new ATOM 0 HA ARG A 54 6.687 9.653 -4.029 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.185 8.343 -1.668 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.792 9.037 -1.594 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.196 10.586 -1.935 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.151 10.476 -0.470 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.117 11.554 -1.751 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.036 11.798 -3.108 1.00 12.20 H new ATOM 0 HE ARG A 54 4.815 12.452 -0.629 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.720 14.123 -3.147 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.299 15.704 -2.479 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.459 14.375 0.223 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.020 15.850 -0.571 1.00 23.38 H new ATOM 871 N THR A 55 7.739 7.229 -3.827 1.00 9.05 N ATOM 872 CA THR A 55 8.215 5.796 -3.966 1.00 9.03 C ATOM 873 C THR A 55 8.469 5.037 -2.671 1.00 8.15 C ATOM 874 O THR A 55 8.471 5.521 -1.548 1.00 5.91 O ATOM 875 CB THR A 55 9.382 5.602 -4.859 1.00 11.15 C ATOM 876 OG1 THR A 55 10.638 6.050 -4.305 1.00 11.95 O ATOM 877 CG2 THR A 55 9.250 6.340 -6.138 1.00 11.71 C ATOM 0 H THR A 55 8.489 7.918 -3.780 1.00 9.05 H new ATOM 0 HA THR A 55 7.332 5.361 -4.435 1.00 9.03 H new ATOM 0 HB THR A 55 9.390 4.521 -5.001 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.555 6.984 -4.020 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.132 6.162 -6.753 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.362 5.994 -6.668 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.158 7.407 -5.935 1.00 11.71 H new ATOM 885 N LEU A 56 8.574 3.708 -2.708 1.00 6.91 N ATOM 886 CA LEU A 56 8.949 2.862 -1.644 1.00 8.29 C ATOM 887 C LEU A 56 10.264 3.168 -1.058 1.00 8.05 C ATOM 888 O LEU A 56 10.381 3.267 0.160 1.00 10.17 O ATOM 889 CB LEU A 56 8.912 1.378 -2.058 1.00 6.60 C ATOM 890 CG LEU A 56 7.504 0.841 -2.509 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.813 -0.523 -3.092 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.458 0.740 -1.378 1.00 8.64 C ATOM 0 H LEU A 56 8.378 3.184 -3.561 1.00 6.91 H new ATOM 0 HA LEU A 56 8.204 3.054 -0.872 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.618 1.228 -2.874 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.261 0.775 -1.220 1.00 6.60 H new ATOM 0 HG LEU A 56 7.037 1.532 -3.211 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.890 -0.988 -3.439 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.502 -0.413 -3.930 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.270 -1.151 -2.327 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.520 0.361 -1.783 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.821 0.061 -0.606 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.294 1.727 -0.945 1.00 8.64 H new ATOM 904 N SER A 57 11.281 3.442 -1.928 1.00 8.92 N ATOM 905 CA SER A 57 12.616 3.985 -1.469 1.00 9.00 C ATOM 906 C SER A 57 12.542 5.286 -0.629 1.00 9.44 C ATOM 907 O SER A 57 13.130 5.411 0.433 1.00 10.91 O ATOM 908 CB SER A 57 13.635 4.241 -2.628 1.00 10.32 C ATOM 909 OG SER A 57 14.960 4.334 -2.129 1.00 13.59 O ATOM 0 H SER A 57 11.214 3.302 -2.936 1.00 8.92 H new ATOM 0 HA SER A 57 12.968 3.172 -0.834 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.573 3.433 -3.357 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.374 5.162 -3.150 1.00 10.32 H new ATOM 0 HG SER A 57 15.579 4.493 -2.872 1.00 13.59 H new ATOM 915 N ASP A 58 11.698 6.215 -1.016 1.00 9.11 N ATOM 916 CA ASP A 58 11.397 7.497 -0.388 1.00 7.91 C ATOM 917 C ASP A 58 10.812 7.375 0.994 1.00 9.12 C ATOM 918 O ASP A 58 11.166 8.071 1.952 1.00 8.61 O ATOM 919 CB ASP A 58 10.496 8.281 -1.353 1.00 8.41 C ATOM 920 CG ASP A 58 11.242 8.855 -2.590 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.314 9.436 -2.290 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.864 8.591 -3.782 1.00 11.70 O ATOM 0 H ASP A 58 11.146 6.085 -1.864 1.00 9.11 H new ATOM 0 HA ASP A 58 12.327 8.040 -0.217 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.694 7.628 -1.696 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.028 9.102 -0.810 1.00 8.41 H new ATOM 927 N TYR A 59 9.924 6.390 1.184 1.00 7.97 N ATOM 928 CA TYR A 59 9.326 6.112 2.497 1.00 8.45 C ATOM 929 C TYR A 59 10.070 5.139 3.360 1.00 10.98 C ATOM 930 O TYR A 59 9.614 4.822 4.454 1.00 12.95 O ATOM 931 CB TYR A 59 7.871 5.611 2.260 1.00 7.94 C ATOM 932 CG TYR A 59 6.902 6.763 2.320 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.868 7.615 3.410 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.025 6.974 1.233 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.968 8.668 3.397 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.037 7.950 1.226 1.00 6.52 C ATOM 937 CZ TYR A 59 5.004 8.751 2.378 1.00 6.76 C ATOM 938 OH TYR A 59 3.954 9.734 2.513 1.00 7.63 O ATOM 0 H TYR A 59 9.603 5.769 0.441 1.00 7.97 H new ATOM 0 HA TYR A 59 9.363 7.046 3.058 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.802 5.120 1.289 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.609 4.867 3.013 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.528 7.462 4.251 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.128 6.344 0.362 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.007 9.423 4.168 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.351 8.082 0.402 1.00 6.52 H new ATOM 0 HH TYR A 59 4.199 10.545 2.020 1.00 7.63 H new ATOM 948 N ASN A 60 11.273 4.687 2.820 1.00 12.38 N ATOM 949 CA ASN A 60 12.187 3.728 3.466 1.00 13.94 C ATOM 950 C ASN A 60 11.659 2.327 3.756 1.00 14.16 C ATOM 951 O ASN A 60 11.905 1.740 4.843 1.00 14.26 O ATOM 952 CB ASN A 60 12.927 4.413 4.670 1.00 19.23 C ATOM 953 CG ASN A 60 13.578 5.755 4.255 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.286 6.762 4.842 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.604 5.687 3.359 1.00 24.09 N ATOM 0 H ASN A 60 11.611 5.002 1.911 1.00 12.38 H new ATOM 0 HA ASN A 60 12.920 3.479 2.699 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.219 4.587 5.480 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.694 3.741 5.056 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.164 6.516 3.161 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.811 4.807 2.887 1.00 24.09 H new ATOM 962 N ILE A 61 10.923 1.792 2.736 1.00 11.08 N ATOM 963 CA ILE A 61 10.362 0.435 2.843 1.00 11.78 C ATOM 964 C ILE A 61 11.319 -0.572 2.195 1.00 13.74 C ATOM 965 O ILE A 61 11.624 -0.439 1.034 1.00 14.60 O ATOM 966 CB ILE A 61 8.979 0.442 2.118 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.173 1.647 2.645 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.210 -0.941 2.140 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.782 1.790 1.894 1.00 11.42 C ATOM 0 H ILE A 61 10.716 2.273 1.861 1.00 11.08 H new ATOM 0 HA ILE A 61 10.232 0.143 3.885 1.00 11.78 H new ATOM 0 HB ILE A 61 9.139 0.569 1.047 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.000 1.530 3.715 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.754 2.560 2.514 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.262 -0.838 1.613 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.817 -1.703 1.650 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.021 -1.236 3.172 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.241 2.649 2.291 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.957 1.932 0.828 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.191 0.887 2.047 1.00 11.42 H new ATOM 981 N GLN A 62 11.849 -1.474 3.054 1.00 13.97 N ATOM 982 CA GLN A 62 12.672 -2.552 2.498 1.00 15.52 C ATOM 983 C GLN A 62 11.949 -3.816 2.361 1.00 13.94 C ATOM 984 O GLN A 62 10.743 -3.880 2.646 1.00 12.15 O ATOM 985 CB GLN A 62 13.901 -2.633 3.367 1.00 19.53 C ATOM 986 CG GLN A 62 14.728 -1.338 3.500 1.00 26.38 C ATOM 987 CD GLN A 62 15.639 -1.388 4.716 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.326 -1.828 5.838 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.926 -0.923 4.483 1.00 32.71 N ATOM 0 H GLN A 62 11.729 -1.476 4.067 1.00 13.97 H new ATOM 0 HA GLN A 62 12.959 -2.334 1.469 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.595 -2.948 4.365 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.550 -3.414 2.971 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.326 -1.192 2.601 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.058 -0.482 3.580 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.179 -0.563 3.563 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.618 -0.941 5.232 1.00 32.71 H new ATOM 998 N LYS A 63 12.678 -4.889 1.960 1.00 11.73 N ATOM 999 CA LYS A 63 12.125 -6.243 1.832 1.00 11.97 C ATOM 1000 C LYS A 63 11.444 -6.800 3.068 1.00 10.41 C ATOM 1001 O LYS A 63 11.888 -6.634 4.208 1.00 9.59 O ATOM 1002 CB LYS A 63 13.239 -7.200 1.401 1.00 13.73 C ATOM 1003 CG LYS A 63 12.970 -8.735 1.263 1.00 16.98 C ATOM 1004 CD LYS A 63 13.961 -9.638 0.445 1.00 20.19 C ATOM 1005 CE LYS A 63 15.447 -9.360 0.674 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.908 -10.068 1.890 1.00 25.97 N ATOM 0 H LYS A 63 13.667 -4.829 1.718 1.00 11.73 H new ATOM 0 HA LYS A 63 11.336 -6.159 1.085 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.604 -6.851 0.435 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.056 -7.081 2.113 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.915 -9.146 2.271 1.00 16.98 H new ATOM 0 HG3 LYS A 63 11.982 -8.852 0.817 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.762 -10.681 0.691 1.00 20.19 H new ATOM 0 HD3 LYS A 63 13.746 -9.515 -0.616 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.025 -9.688 -0.190 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.614 -8.288 0.781 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.919 -9.876 2.041 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.365 -9.735 2.712 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.764 -11.091 1.772 1.00 25.97 H new ATOM 1020 N GLU A 64 10.271 -7.511 2.886 1.00 10.04 N ATOM 1021 CA GLU A 64 9.411 -8.162 3.918 1.00 10.94 C ATOM 1022 C GLU A 64 8.855 -7.273 5.072 1.00 9.74 C ATOM 1023 O GLU A 64 8.359 -7.685 6.109 1.00 9.42 O ATOM 1024 CB GLU A 64 10.163 -9.338 4.467 1.00 18.31 C ATOM 1025 CG GLU A 64 10.419 -10.480 3.463 1.00 24.16 C ATOM 1026 CD GLU A 64 10.834 -11.773 4.140 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.181 -12.189 5.185 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.717 -12.475 3.563 1.00 32.61 O ATOM 0 H GLU A 64 9.888 -7.645 1.950 1.00 10.04 H new ATOM 0 HA GLU A 64 8.498 -8.443 3.393 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.123 -8.989 4.849 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.609 -9.739 5.316 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.515 -10.654 2.879 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.197 -10.175 2.763 1.00 24.16 H new ATOM 1035 N SER A 65 8.850 -5.928 4.785 1.00 6.85 N ATOM 1036 CA SER A 65 8.093 -4.972 5.602 1.00 6.90 C ATOM 1037 C SER A 65 6.605 -5.173 5.594 1.00 4.72 C ATOM 1038 O SER A 65 6.022 -5.462 4.552 1.00 3.91 O ATOM 1039 CB SER A 65 8.361 -3.508 5.181 1.00 7.28 C ATOM 1040 OG SER A 65 9.756 -3.160 5.235 1.00 10.56 O ATOM 0 H SER A 65 9.358 -5.509 4.006 1.00 6.85 H new ATOM 0 HA SER A 65 8.458 -5.167 6.610 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.991 -3.352 4.168 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.799 -2.839 5.832 1.00 7.28 H new ATOM 0 HG SER A 65 10.181 -3.377 4.379 1.00 10.56 H new ATOM 1046 N THR A 66 5.961 -4.859 6.766 1.00 4.48 N ATOM 1047 CA THR A 66 4.549 -4.913 6.850 1.00 3.80 C ATOM 1048 C THR A 66 3.863 -3.551 6.712 1.00 4.60 C ATOM 1049 O THR A 66 4.026 -2.693 7.546 1.00 5.33 O ATOM 1050 CB THR A 66 4.024 -5.379 8.231 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.327 -6.738 8.328 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.475 -5.312 8.315 1.00 3.40 C ATOM 0 H THR A 66 6.432 -4.576 7.625 1.00 4.48 H new ATOM 0 HA THR A 66 4.318 -5.600 6.036 1.00 3.80 H new ATOM 0 HB THR A 66 4.467 -4.747 9.001 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.015 -7.082 9.191 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.149 -5.647 9.300 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.146 -4.285 8.154 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.041 -5.956 7.550 1.00 3.40 H new ATOM 1060 N LEU A 67 3.164 -3.321 5.588 1.00 4.17 N ATOM 1061 CA LEU A 67 2.322 -2.155 5.393 1.00 3.85 C ATOM 1062 C LEU A 67 0.903 -2.424 5.825 1.00 3.80 C ATOM 1063 O LEU A 67 0.328 -3.492 5.603 1.00 5.54 O ATOM 1064 CB LEU A 67 2.307 -1.825 3.910 1.00 7.18 C ATOM 1065 CG LEU A 67 3.639 -1.648 3.248 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.468 -1.170 1.862 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.541 -0.570 3.883 1.00 11.66 C ATOM 0 H LEU A 67 3.176 -3.953 4.788 1.00 4.17 H new ATOM 0 HA LEU A 67 2.720 -1.334 5.989 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.771 -2.619 3.390 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.733 -0.909 3.771 1.00 7.18 H new ATOM 0 HG LEU A 67 4.097 -2.633 3.341 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.446 -1.047 1.396 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.885 -1.897 1.296 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.946 -0.213 1.869 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.482 -0.515 3.336 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.039 0.396 3.839 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.740 -0.829 4.923 1.00 11.66 H new ATOM 1079 N HIS A 68 0.359 -1.401 6.483 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.033 -1.512 6.954 1.00 4.17 C ATOM 1081 C HIS A 68 -2.001 -0.914 5.884 1.00 5.32 C ATOM 1082 O HIS A 68 -1.698 0.119 5.240 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.193 -0.913 8.287 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.452 -1.372 9.009 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.540 -2.492 9.808 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.735 -0.894 8.936 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -3.758 -2.592 10.281 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.555 -1.672 9.748 1.00 16.30 N ATOM 0 H HIS A 68 0.829 -0.522 6.698 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.295 -2.563 7.073 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.323 -1.161 8.895 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.214 0.172 8.189 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -4.057 -0.050 8.344 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -4.073 -3.326 11.008 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -5.557 -1.560 9.902 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.163 -1.536 5.656 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.111 -1.040 4.647 1.00 3.97 C ATOM 1098 C LEU A 69 -5.366 -0.747 5.333 1.00 5.07 C ATOM 1099 O LEU A 69 -5.849 -1.477 6.151 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.249 -2.142 3.608 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.440 -2.015 2.661 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.314 -0.907 1.607 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.647 -3.307 1.907 1.00 9.96 C ATOM 0 H LEU A 69 -3.469 -2.375 6.149 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.787 -0.128 4.146 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.336 -2.171 3.013 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.321 -3.098 4.127 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.276 -1.765 3.314 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.207 -0.895 0.983 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.206 0.057 2.104 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.439 -1.095 0.985 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.499 -3.204 1.235 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.753 -3.537 1.327 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.838 -4.114 2.614 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.881 0.465 5.127 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.226 0.836 5.529 1.00 6.26 C ATOM 1117 C VAL A 70 -8.087 1.164 4.241 1.00 9.22 C ATOM 1118 O VAL A 70 -7.572 1.654 3.243 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.208 2.026 6.478 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.443 1.645 7.751 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.693 3.361 5.893 1.00 8.54 C ATOM 0 H VAL A 70 -5.367 1.219 4.672 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.676 -0.001 6.062 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.254 2.239 6.697 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.427 2.494 8.434 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.936 0.801 8.233 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.421 1.369 7.492 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.727 4.133 6.662 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.666 3.236 5.550 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.322 3.657 5.054 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.385 0.773 4.275 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.193 1.038 3.090 1.00 16.06 C ATOM 1133 C LEU A 71 -11.223 2.075 3.359 1.00 18.09 C ATOM 1134 O LEU A 71 -12.070 1.894 4.251 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.020 -0.162 2.576 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.146 -1.308 2.022 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.914 -2.576 1.619 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.301 -0.800 0.855 1.00 19.57 C ATOM 0 H LEU A 71 -9.855 0.309 5.052 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.443 1.328 2.354 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.638 -0.545 3.389 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.698 0.180 1.794 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.509 -1.618 2.851 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.213 -3.321 1.243 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.437 -2.976 2.487 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.637 -2.332 0.841 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.687 -1.614 0.469 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.956 -0.433 0.064 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.657 0.010 1.198 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.066 3.220 2.672 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.787 4.434 2.753 1.00 25.83 C ATOM 1152 C ARG A 72 -13.326 4.255 2.877 1.00 27.74 C ATOM 1153 O ARG A 72 -13.972 3.429 2.222 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.609 5.382 1.561 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.050 6.815 1.811 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.450 7.793 0.748 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.729 9.218 1.209 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.192 10.376 0.696 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.381 10.374 -0.321 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.422 11.551 1.319 1.00 35.02 N ATOM 0 H ARG A 72 -10.331 3.289 1.969 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.351 4.859 3.657 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.558 5.386 1.272 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.170 4.987 0.714 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.138 6.872 1.786 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.738 7.124 2.809 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.377 7.630 0.642 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.897 7.614 -0.230 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.385 9.325 1.982 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.123 9.493 -0.766 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.003 11.253 -0.673 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.991 11.577 2.165 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.027 12.413 0.944 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.961 4.940 3.818 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.386 4.959 4.021 1.00 30.76 C ATOM 1176 C LEU A 73 -15.899 6.390 3.987 1.00 32.18 C ATOM 1177 O LEU A 73 -15.262 7.333 4.453 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.682 4.362 5.448 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.213 2.881 5.673 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.261 2.523 7.231 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.982 1.939 4.741 1.00 29.11 C ATOM 0 H LEU A 73 -13.462 5.524 4.489 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.876 4.380 3.238 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.200 4.994 6.194 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.755 4.416 5.629 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.168 2.749 5.393 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.934 1.494 7.378 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.601 3.195 7.779 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.281 2.636 7.599 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.650 0.914 4.905 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.049 2.012 4.950 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.795 2.220 3.705 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.057 6.622 3.405 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.601 7.966 3.346 1.00 35.33 C ATOM 1195 C ARG A 74 -17.989 8.465 4.670 1.00 36.22 C ATOM 1196 O ARG A 74 -17.904 9.644 4.987 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.853 8.053 2.340 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.349 7.907 0.864 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.463 7.909 -0.284 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.738 7.919 -1.633 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.451 6.804 -2.360 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -19.027 5.608 -2.223 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.571 6.924 -3.419 1.00 41.93 N ATOM 0 H ARG A 74 -17.637 5.905 2.969 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.802 8.602 2.966 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.572 7.267 2.569 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.369 9.005 2.467 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.652 8.720 0.662 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.785 6.977 0.788 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.102 7.030 -0.199 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -20.108 8.782 -0.190 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.451 8.821 -2.012 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -19.755 5.470 -1.522 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.740 4.832 -2.820 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.156 7.830 -3.637 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.336 6.107 -3.982 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.353 7.564 5.596 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.788 7.968 6.914 1.00 36.07 C ATOM 1219 C GLY A 75 -17.750 7.968 7.965 1.00 36.16 C ATOM 1220 O GLY A 75 -18.115 8.154 9.122 1.00 36.26 O ATOM 0 H GLY A 75 -18.350 6.556 5.443 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.208 8.972 6.845 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.595 7.306 7.228 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.431 7.830 7.594 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.407 7.726 8.595 1.00 36.19 C ATOM 1226 C GLY A 76 -14.089 8.066 7.902 1.00 36.20 C ATOM 1227 O GLY A 76 -13.871 9.127 7.354 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.155 7.249 8.109 1.00 0.00 O ATOM 0 H GLY A 76 -16.100 7.793 6.630 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.600 8.412 9.420 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.376 6.721 9.016 1.00 36.19 H new TER 1232 GLY A 76