USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -36:sc= 1.24 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0323 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.331 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.21 USER MOD Single : A 1 MET CE :methyl -120:sc= -0.123 (180deg=-2.89!) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.888 (180deg=0.106) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0.793 (180deg=0.255) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.476 USER MOD Single : A 20 SER OG : rot -53:sc= 0.451 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00412 K(o=-0.0041,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.02) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= -0.0662 (180deg=-0.349) USER MOD Single : A 31 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 41 GLN : amide:sc= -0.681 K(o=-0.68,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.764 K(o=0.76,f=-6.1!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= 1.28 (180deg=-0.113) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0631 X(o=-0.063,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.735 3.074 -3.142 1.00 9.67 N ATOM 2 CA MET A 1 -12.489 3.881 -1.926 1.00 10.38 C ATOM 3 C MET A 1 -11.226 4.668 -1.995 1.00 9.62 C ATOM 4 O MET A 1 -10.412 4.391 -2.875 1.00 9.62 O ATOM 5 CB MET A 1 -12.454 2.929 -0.719 1.00 13.77 C ATOM 6 CG MET A 1 -11.577 1.710 -1.012 1.00 16.29 C ATOM 7 SD MET A 1 -11.650 0.553 0.388 1.00 17.17 S ATOM 8 CE MET A 1 -9.943 -0.067 0.411 1.00 16.11 C ATOM 0 H1 MET A 1 -13.314 2.245 -2.897 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.238 3.651 -3.846 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.827 2.758 -3.538 1.00 9.67 H new ATOM 0 HA MET A 1 -13.295 4.609 -1.831 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.071 3.456 0.155 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.466 2.604 -0.477 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.916 1.216 -1.923 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.547 2.023 -1.184 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.946 -1.147 0.263 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.373 0.407 -0.388 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.484 0.166 1.372 1.00 16.11 H new ATOM 20 N GLN A 2 -11.062 5.568 -1.008 1.00 9.27 N ATOM 21 CA GLN A 2 -9.788 6.128 -0.678 1.00 9.07 C ATOM 22 C GLN A 2 -9.121 5.481 0.487 1.00 8.72 C ATOM 23 O GLN A 2 -9.817 5.149 1.445 1.00 8.22 O ATOM 24 CB GLN A 2 -9.912 7.626 -0.352 1.00 14.46 C ATOM 25 CG GLN A 2 -10.971 7.984 0.693 1.00 17.01 C ATOM 26 CD GLN A 2 -10.958 9.479 0.976 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.926 10.141 1.077 1.00 21.89 O ATOM 28 NE2 GLN A 2 -12.176 10.082 1.025 1.00 19.49 N ATOM 0 H GLN A 2 -11.828 5.913 -0.429 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.179 5.956 -1.565 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -8.944 7.986 -0.002 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.138 8.164 -1.273 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.957 7.684 0.338 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.783 7.432 1.614 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -13.025 9.524 0.940 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -12.240 11.093 1.147 1.00 19.49 H new ATOM 37 N ILE A 3 -7.788 5.306 0.459 1.00 5.87 N ATOM 38 CA ILE A 3 -7.016 4.775 1.539 1.00 5.07 C ATOM 39 C ILE A 3 -5.905 5.733 1.797 1.00 4.01 C ATOM 40 O ILE A 3 -5.494 6.459 0.892 1.00 4.61 O ATOM 41 CB ILE A 3 -6.480 3.381 1.394 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.602 3.283 0.135 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.605 2.335 1.469 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.062 1.877 -0.122 1.00 10.83 C ATOM 0 H ILE A 3 -7.222 5.546 -0.355 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.709 4.670 2.374 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.831 3.149 2.238 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.183 3.604 -0.730 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.764 3.974 0.231 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.181 1.337 1.360 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.110 2.412 2.432 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.322 2.514 0.668 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.452 1.881 -1.025 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.454 1.560 0.725 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.895 1.185 -0.250 1.00 10.83 H new ATOM 56 N PHE A 4 -5.375 5.772 3.032 1.00 4.55 N ATOM 57 CA PHE A 4 -4.290 6.619 3.417 1.00 4.68 C ATOM 58 C PHE A 4 -2.931 6.011 3.487 1.00 5.30 C ATOM 59 O PHE A 4 -2.660 5.256 4.419 1.00 5.58 O ATOM 60 CB PHE A 4 -4.536 7.270 4.789 1.00 4.83 C ATOM 61 CG PHE A 4 -5.610 8.279 4.566 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.532 9.416 3.797 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.766 7.976 5.246 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.632 10.213 3.586 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.870 8.769 5.042 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.810 9.850 4.195 1.00 8.90 C ATOM 0 H PHE A 4 -5.718 5.188 3.795 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.281 7.331 2.592 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.842 6.528 5.526 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.629 7.740 5.168 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.588 9.688 3.350 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.806 7.136 5.924 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.573 11.094 2.964 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.794 8.540 5.552 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.704 10.425 4.004 1.00 8.90 H new ATOM 76 N VAL A 5 -2.032 6.279 2.523 1.00 4.44 N ATOM 77 CA VAL A 5 -0.711 5.732 2.518 1.00 3.87 C ATOM 78 C VAL A 5 0.223 6.609 3.279 1.00 4.93 C ATOM 79 O VAL A 5 0.279 7.801 2.982 1.00 6.84 O ATOM 80 CB VAL A 5 -0.278 5.551 1.093 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.210 5.161 1.112 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.378 4.709 0.425 1.00 9.13 C ATOM 0 H VAL A 5 -2.228 6.889 1.730 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.701 4.762 3.015 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.232 6.411 0.425 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.562 5.020 0.090 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.788 5.953 1.589 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.336 4.233 1.670 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.122 4.540 -0.621 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.464 3.751 0.937 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.329 5.239 0.485 1.00 9.13 H new ATOM 92 N LYS A 6 0.823 6.116 4.378 1.00 6.04 N ATOM 93 CA LYS A 6 1.821 6.719 5.205 1.00 6.12 C ATOM 94 C LYS A 6 3.182 6.314 4.755 1.00 6.57 C ATOM 95 O LYS A 6 3.520 5.161 4.490 1.00 5.76 O ATOM 96 CB LYS A 6 1.627 6.283 6.667 1.00 7.45 C ATOM 97 CG LYS A 6 2.731 6.662 7.656 1.00 11.12 C ATOM 98 CD LYS A 6 2.499 6.115 9.066 1.00 14.54 C ATOM 99 CE LYS A 6 1.355 6.796 9.821 1.00 18.84 C ATOM 100 NZ LYS A 6 1.297 6.334 11.226 1.00 20.55 N ATOM 0 H LYS A 6 0.577 5.188 4.723 1.00 6.04 H new ATOM 0 HA LYS A 6 1.722 7.802 5.127 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.690 6.708 7.026 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.513 5.199 6.685 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.686 6.291 7.283 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.808 7.748 7.704 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.291 5.047 9.000 1.00 14.54 H new ATOM 0 HD3 LYS A 6 3.417 6.226 9.643 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.491 7.877 9.795 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.409 6.582 9.325 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.513 6.811 11.716 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.144 5.305 11.247 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.193 6.561 11.703 1.00 20.55 H new ATOM 114 N THR A 7 4.031 7.342 4.574 1.00 7.41 N ATOM 115 CA THR A 7 5.387 7.112 4.184 1.00 7.48 C ATOM 116 C THR A 7 6.237 7.159 5.408 1.00 8.75 C ATOM 117 O THR A 7 5.778 7.522 6.490 1.00 8.58 O ATOM 118 CB THR A 7 5.948 7.995 3.109 1.00 9.61 C ATOM 119 OG1 THR A 7 5.938 9.365 3.483 1.00 11.78 O ATOM 120 CG2 THR A 7 5.265 7.807 1.743 1.00 9.17 C ATOM 0 H THR A 7 3.781 8.323 4.696 1.00 7.41 H new ATOM 0 HA THR A 7 5.393 6.130 3.710 1.00 7.48 H new ATOM 0 HB THR A 7 6.984 7.676 2.993 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.313 9.905 2.756 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.720 8.476 1.013 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.387 6.775 1.414 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.203 8.036 1.833 1.00 9.17 H new ATOM 128 N LEU A 8 7.516 6.769 5.261 1.00 9.84 N ATOM 129 CA LEU A 8 8.535 6.860 6.260 1.00 14.15 C ATOM 130 C LEU A 8 8.801 8.227 6.789 1.00 17.37 C ATOM 131 O LEU A 8 8.953 8.454 7.988 1.00 17.01 O ATOM 132 CB LEU A 8 9.844 6.151 5.874 1.00 16.63 C ATOM 133 CG LEU A 8 10.747 5.802 7.069 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.363 4.575 7.913 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.149 5.624 6.463 1.00 19.31 C ATOM 0 H LEU A 8 7.859 6.365 4.390 1.00 9.84 H new ATOM 0 HA LEU A 8 8.092 6.311 7.091 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.603 5.235 5.335 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.400 6.788 5.186 1.00 16.63 H new ATOM 0 HG LEU A 8 10.659 6.607 7.799 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.085 4.448 8.719 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.369 4.721 8.336 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.362 3.686 7.283 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.857 5.372 7.252 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.127 4.822 5.725 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.458 6.552 5.981 1.00 19.31 H new ATOM 147 N THR A 9 8.988 9.188 5.866 1.00 18.33 N ATOM 148 CA THR A 9 9.404 10.516 6.195 1.00 19.24 C ATOM 149 C THR A 9 8.292 11.303 6.799 1.00 19.48 C ATOM 150 O THR A 9 8.131 11.496 8.003 1.00 23.14 O ATOM 151 CB THR A 9 9.985 11.233 5.012 1.00 18.97 C ATOM 152 OG1 THR A 9 9.100 11.031 3.920 1.00 20.24 O ATOM 153 CG2 THR A 9 11.339 10.725 4.489 1.00 19.70 C ATOM 0 H THR A 9 8.847 9.038 4.867 1.00 18.33 H new ATOM 0 HA THR A 9 10.194 10.422 6.940 1.00 19.24 H new ATOM 0 HB THR A 9 10.125 12.257 5.358 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.449 11.489 3.127 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.648 11.327 3.634 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.087 10.805 5.278 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.243 9.683 4.184 1.00 19.70 H new ATOM 161 N GLY A 10 7.312 11.709 5.972 1.00 19.43 N ATOM 162 CA GLY A 10 6.073 12.241 6.448 1.00 18.74 C ATOM 163 C GLY A 10 5.093 12.688 5.419 1.00 17.62 C ATOM 164 O GLY A 10 4.354 13.626 5.714 1.00 19.74 O ATOM 0 H GLY A 10 7.381 11.667 4.955 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.593 11.483 7.067 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.294 13.088 7.097 1.00 18.74 H new ATOM 168 N LYS A 11 5.006 12.064 4.230 1.00 13.56 N ATOM 169 CA LYS A 11 3.882 12.365 3.398 1.00 11.91 C ATOM 170 C LYS A 11 2.716 11.525 3.791 1.00 10.18 C ATOM 171 O LYS A 11 2.782 10.393 4.266 1.00 9.10 O ATOM 172 CB LYS A 11 4.178 12.015 1.930 1.00 13.43 C ATOM 173 CG LYS A 11 5.239 12.896 1.267 1.00 16.69 C ATOM 174 CD LYS A 11 5.511 12.459 -0.174 1.00 17.92 C ATOM 175 CE LYS A 11 4.477 12.900 -1.212 1.00 20.81 C ATOM 176 NZ LYS A 11 5.100 13.103 -2.539 1.00 21.93 N ATOM 0 H LYS A 11 5.673 11.388 3.859 1.00 13.56 H new ATOM 0 HA LYS A 11 3.674 13.429 3.514 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.502 10.976 1.876 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.253 12.090 1.358 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.909 13.935 1.277 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.163 12.850 1.843 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.485 12.846 -0.473 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.579 11.371 -0.197 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.691 12.148 -1.288 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.002 13.825 -0.885 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.361 13.116 -3.271 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.612 14.008 -2.547 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.765 12.327 -2.733 1.00 21.93 H new ATOM 190 N THR A 12 1.533 12.079 3.468 1.00 9.63 N ATOM 191 CA THR A 12 0.344 11.286 3.437 1.00 9.85 C ATOM 192 C THR A 12 -0.073 11.210 2.009 1.00 11.66 C ATOM 193 O THR A 12 -0.468 12.218 1.426 1.00 12.33 O ATOM 194 CB THR A 12 -0.724 11.941 4.261 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.249 12.164 5.581 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.081 11.223 4.343 1.00 9.63 C ATOM 0 H THR A 12 1.401 13.062 3.231 1.00 9.63 H new ATOM 0 HA THR A 12 0.514 10.290 3.847 1.00 9.85 H new ATOM 0 HB THR A 12 -0.927 12.867 3.724 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.951 12.594 6.113 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.761 11.801 4.968 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.502 11.125 3.342 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.943 10.233 4.777 1.00 9.63 H new ATOM 204 N ILE A 13 -0.045 10.045 1.335 1.00 10.42 N ATOM 205 CA ILE A 13 -0.488 9.917 -0.018 1.00 11.84 C ATOM 206 C ILE A 13 -1.838 9.293 0.072 1.00 10.55 C ATOM 207 O ILE A 13 -2.063 8.214 0.620 1.00 11.92 O ATOM 208 CB ILE A 13 0.354 8.993 -0.847 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.791 9.510 -1.030 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.259 8.732 -2.233 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.751 8.322 -1.073 1.00 16.46 C ATOM 0 H ILE A 13 0.294 9.173 1.741 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.452 10.899 -0.490 1.00 11.84 H new ATOM 0 HB ILE A 13 0.385 8.058 -0.288 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.868 10.088 -1.951 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.057 10.178 -0.211 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.387 8.058 -2.795 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.243 8.278 -2.116 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.356 9.675 -2.771 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.771 8.683 -1.203 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.680 7.763 -0.140 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.488 7.671 -1.907 1.00 16.46 H new ATOM 223 N THR A 14 -2.832 9.899 -0.600 1.00 9.39 N ATOM 224 CA THR A 14 -4.185 9.488 -0.385 1.00 9.63 C ATOM 225 C THR A 14 -4.603 8.745 -1.607 1.00 11.20 C ATOM 226 O THR A 14 -4.521 9.274 -2.714 1.00 11.63 O ATOM 227 CB THR A 14 -5.135 10.634 -0.201 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.903 11.377 0.987 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.545 10.049 -0.014 1.00 11.66 C ATOM 0 H THR A 14 -2.707 10.654 -1.275 1.00 9.39 H new ATOM 0 HA THR A 14 -4.219 8.893 0.528 1.00 9.63 H new ATOM 0 HB THR A 14 -5.010 11.280 -1.070 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.131 10.828 1.766 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.260 10.860 0.123 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.818 9.469 -0.896 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.557 9.403 0.864 1.00 11.66 H new ATOM 237 N LEU A 15 -4.906 7.436 -1.542 1.00 8.29 N ATOM 238 CA LEU A 15 -4.816 6.624 -2.716 1.00 9.03 C ATOM 239 C LEU A 15 -6.159 6.064 -3.034 1.00 8.59 C ATOM 240 O LEU A 15 -6.815 5.441 -2.200 1.00 7.79 O ATOM 241 CB LEU A 15 -3.918 5.414 -2.407 1.00 11.08 C ATOM 242 CG LEU A 15 -3.185 4.847 -3.635 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.168 5.834 -4.233 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.386 3.573 -3.313 1.00 15.88 C ATOM 0 H LEU A 15 -5.207 6.949 -0.698 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.429 7.228 -3.537 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.180 5.704 -1.659 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.528 4.626 -1.965 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.989 4.639 -4.341 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.683 5.378 -5.096 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.683 6.743 -4.544 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.417 6.081 -3.483 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.890 3.217 -4.216 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.639 3.795 -2.551 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.063 2.803 -2.943 1.00 15.88 H new ATOM 256 N GLU A 16 -6.693 6.261 -4.253 1.00 11.04 N ATOM 257 CA GLU A 16 -7.968 5.727 -4.622 1.00 11.50 C ATOM 258 C GLU A 16 -7.917 4.423 -5.341 1.00 10.13 C ATOM 259 O GLU A 16 -7.255 4.299 -6.370 1.00 9.83 O ATOM 260 CB GLU A 16 -8.537 6.833 -5.527 1.00 17.22 C ATOM 261 CG GLU A 16 -9.096 7.996 -4.706 1.00 23.33 C ATOM 262 CD GLU A 16 -9.867 9.091 -5.430 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.608 8.856 -6.422 1.00 28.86 O ATOM 264 OE2 GLU A 16 -9.783 10.254 -4.952 1.00 28.90 O ATOM 0 H GLU A 16 -6.236 6.796 -4.991 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.568 5.492 -3.743 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.755 7.199 -6.192 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.324 6.420 -6.157 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.752 7.578 -3.943 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.261 8.466 -4.186 1.00 23.33 H new ATOM 271 N VAL A 17 -8.551 3.409 -4.724 1.00 8.99 N ATOM 272 CA VAL A 17 -8.401 2.041 -5.113 1.00 8.85 C ATOM 273 C VAL A 17 -9.746 1.409 -5.002 1.00 8.04 C ATOM 274 O VAL A 17 -10.631 1.909 -4.310 1.00 8.99 O ATOM 275 CB VAL A 17 -7.470 1.255 -4.237 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.022 1.748 -4.394 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.803 1.411 -2.744 1.00 10.54 C ATOM 0 H VAL A 17 -9.183 3.544 -3.935 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.982 2.032 -6.119 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.585 0.217 -4.550 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.366 1.163 -3.749 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.709 1.632 -5.431 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.963 2.799 -4.113 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.102 0.824 -2.151 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.726 2.461 -2.462 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.818 1.059 -2.559 1.00 10.54 H new ATOM 287 N GLU A 18 -10.004 0.290 -5.702 1.00 7.29 N ATOM 288 CA GLU A 18 -11.197 -0.496 -5.648 1.00 7.08 C ATOM 289 C GLU A 18 -11.155 -1.401 -4.465 1.00 6.45 C ATOM 290 O GLU A 18 -10.077 -1.872 -4.107 1.00 5.28 O ATOM 291 CB GLU A 18 -11.517 -1.227 -6.963 1.00 10.28 C ATOM 292 CG GLU A 18 -11.434 -0.478 -8.294 1.00 12.65 C ATOM 293 CD GLU A 18 -12.182 0.847 -8.333 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.421 0.889 -8.106 1.00 18.17 O ATOM 295 OE2 GLU A 18 -11.545 1.872 -8.696 1.00 14.33 O ATOM 0 H GLU A 18 -9.323 -0.094 -6.357 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.037 0.187 -5.521 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.845 -2.083 -7.030 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.529 -1.622 -6.876 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -10.385 -0.293 -8.525 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.825 -1.122 -9.081 1.00 12.65 H new ATOM 302 N PRO A 19 -12.258 -1.700 -3.846 1.00 7.24 N ATOM 303 CA PRO A 19 -12.208 -2.311 -2.550 1.00 7.07 C ATOM 304 C PRO A 19 -12.010 -3.787 -2.598 1.00 6.65 C ATOM 305 O PRO A 19 -11.874 -4.390 -1.534 1.00 6.37 O ATOM 306 CB PRO A 19 -13.611 -2.057 -2.005 1.00 7.61 C ATOM 307 CG PRO A 19 -14.515 -2.216 -3.238 1.00 8.16 C ATOM 308 CD PRO A 19 -13.636 -1.465 -4.251 1.00 7.49 C ATOM 0 HA PRO A 19 -11.380 -1.910 -1.966 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.872 -2.770 -1.223 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.698 -1.061 -1.571 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.682 -3.258 -3.511 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.496 -1.760 -3.107 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.812 -1.829 -5.263 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.865 -0.399 -4.251 1.00 7.49 H new ATOM 316 N SER A 20 -11.962 -4.461 -3.761 1.00 6.80 N ATOM 317 CA SER A 20 -11.602 -5.844 -3.827 1.00 6.28 C ATOM 318 C SER A 20 -10.311 -6.061 -4.537 1.00 8.45 C ATOM 319 O SER A 20 -10.078 -7.195 -4.952 1.00 7.26 O ATOM 320 CB SER A 20 -12.642 -6.698 -4.572 1.00 8.57 C ATOM 321 OG SER A 20 -12.521 -8.048 -4.149 1.00 11.13 O ATOM 0 H SER A 20 -12.175 -4.042 -4.666 1.00 6.80 H new ATOM 0 HA SER A 20 -11.532 -6.147 -2.782 1.00 6.28 H new ATOM 0 HB2 SER A 20 -13.647 -6.329 -4.369 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.487 -6.626 -5.648 1.00 8.57 H new ATOM 0 HG SER A 20 -11.591 -8.341 -4.251 1.00 11.13 H new ATOM 327 N ASP A 21 -9.522 -5.035 -4.905 1.00 7.50 N ATOM 328 CA ASP A 21 -8.355 -5.189 -5.717 1.00 7.70 C ATOM 329 C ASP A 21 -7.067 -5.462 -5.020 1.00 7.08 C ATOM 330 O ASP A 21 -7.097 -5.615 -3.800 1.00 8.11 O ATOM 331 CB ASP A 21 -8.348 -3.988 -6.678 1.00 11.00 C ATOM 332 CG ASP A 21 -7.373 -3.931 -7.845 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.706 -4.947 -8.178 1.00 18.03 O ATOM 334 OD2 ASP A 21 -7.381 -2.868 -8.522 1.00 14.36 O ATOM 0 H ASP A 21 -9.702 -4.070 -4.629 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.426 -6.129 -6.265 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -9.352 -3.905 -7.095 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -8.179 -3.096 -6.075 1.00 11.00 H new ATOM 339 N THR A 22 -5.949 -5.671 -5.738 1.00 5.37 N ATOM 340 CA THR A 22 -4.746 -6.187 -5.161 1.00 6.01 C ATOM 341 C THR A 22 -3.726 -5.218 -4.670 1.00 8.01 C ATOM 342 O THR A 22 -3.665 -4.077 -5.124 1.00 8.11 O ATOM 343 CB THR A 22 -4.089 -7.235 -6.008 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.575 -6.796 -7.257 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.082 -8.386 -6.242 1.00 9.65 C ATOM 0 H THR A 22 -5.879 -5.478 -6.737 1.00 5.37 H new ATOM 0 HA THR A 22 -5.148 -6.632 -4.250 1.00 6.01 H new ATOM 0 HB THR A 22 -3.213 -7.550 -5.442 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.168 -7.553 -7.728 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.612 -9.153 -6.858 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.372 -8.817 -5.284 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.967 -8.005 -6.751 1.00 9.65 H new ATOM 353 N ILE A 23 -2.823 -5.671 -3.782 1.00 8.32 N ATOM 354 CA ILE A 23 -1.756 -4.932 -3.183 1.00 9.92 C ATOM 355 C ILE A 23 -0.778 -4.596 -4.256 1.00 10.01 C ATOM 356 O ILE A 23 -0.261 -3.480 -4.275 1.00 8.71 O ATOM 357 CB ILE A 23 -1.218 -5.746 -2.044 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.218 -6.176 -0.958 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.009 -5.086 -1.360 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.825 -5.074 -0.091 1.00 12.30 C ATOM 0 H ILE A 23 -2.843 -6.638 -3.457 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.063 -3.980 -2.750 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.924 -6.660 -2.561 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.034 -6.712 -1.443 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.717 -6.886 -0.300 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.338 -5.720 -0.544 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.794 -4.957 -2.086 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.301 -4.113 -0.965 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.511 -5.516 0.632 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.030 -4.548 0.438 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.367 -4.371 -0.723 1.00 12.30 H new ATOM 372 N GLU A 24 -0.531 -5.467 -5.251 1.00 9.54 N ATOM 373 CA GLU A 24 0.253 -5.224 -6.422 1.00 11.81 C ATOM 374 C GLU A 24 -0.202 -4.030 -7.189 1.00 11.14 C ATOM 375 O GLU A 24 0.649 -3.276 -7.657 1.00 10.62 O ATOM 376 CB GLU A 24 0.005 -6.445 -7.324 1.00 19.24 C ATOM 377 CG GLU A 24 0.835 -6.515 -8.608 1.00 27.76 C ATOM 378 CD GLU A 24 0.392 -7.588 -9.593 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.779 -7.598 -10.059 1.00 34.80 O ATOM 380 OE2 GLU A 24 1.261 -8.452 -9.885 1.00 36.51 O ATOM 0 H GLU A 24 -0.910 -6.414 -5.234 1.00 9.54 H new ATOM 0 HA GLU A 24 1.291 -5.058 -6.133 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.198 -7.346 -6.742 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.050 -6.461 -7.597 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.794 -5.546 -9.105 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.877 -6.693 -8.342 1.00 27.76 H new ATOM 387 N ASN A 25 -1.516 -3.849 -7.413 1.00 9.43 N ATOM 388 CA ASN A 25 -2.016 -2.628 -7.965 1.00 10.96 C ATOM 389 C ASN A 25 -1.952 -1.421 -7.095 1.00 9.68 C ATOM 390 O ASN A 25 -1.726 -0.337 -7.632 1.00 9.33 O ATOM 391 CB ASN A 25 -3.450 -2.793 -8.497 1.00 16.78 C ATOM 392 CG ASN A 25 -3.397 -3.441 -9.873 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.366 -3.660 -10.506 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.575 -4.032 -10.210 1.00 24.70 N ATOM 0 H ASN A 25 -2.232 -4.547 -7.212 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.315 -2.432 -8.776 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.036 -3.407 -7.814 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.943 -1.823 -8.557 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.616 -4.672 -11.003 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.417 -3.835 -9.670 1.00 24.70 H new ATOM 401 N VAL A 26 -2.054 -1.499 -5.756 1.00 6.52 N ATOM 402 CA VAL A 26 -1.689 -0.467 -4.835 1.00 5.53 C ATOM 403 C VAL A 26 -0.292 0.022 -5.006 1.00 4.42 C ATOM 404 O VAL A 26 0.008 1.213 -5.069 1.00 3.40 O ATOM 405 CB VAL A 26 -1.863 -0.931 -3.419 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.458 0.127 -2.379 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.321 -1.375 -3.211 1.00 8.12 C ATOM 0 H VAL A 26 -2.413 -2.332 -5.289 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.359 0.364 -5.054 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.188 -1.772 -3.262 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.608 -0.273 -1.376 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.408 0.386 -2.513 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.071 1.019 -2.510 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.455 -1.714 -2.184 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.988 -0.536 -3.406 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.554 -2.191 -3.895 1.00 8.12 H new ATOM 417 N LYS A 27 0.639 -0.944 -5.097 1.00 2.64 N ATOM 418 CA LYS A 27 2.025 -0.750 -5.391 1.00 4.14 C ATOM 419 C LYS A 27 2.269 -0.125 -6.721 1.00 5.58 C ATOM 420 O LYS A 27 3.232 0.636 -6.814 1.00 4.11 O ATOM 421 CB LYS A 27 2.751 -2.098 -5.241 1.00 3.97 C ATOM 422 CG LYS A 27 2.872 -2.626 -3.810 1.00 7.45 C ATOM 423 CD LYS A 27 4.066 -3.568 -3.645 1.00 9.02 C ATOM 424 CE LYS A 27 4.118 -4.134 -2.224 1.00 12.90 C ATOM 425 NZ LYS A 27 5.242 -5.085 -2.070 1.00 15.47 N ATOM 0 H LYS A 27 0.407 -1.927 -4.955 1.00 2.64 H new ATOM 0 HA LYS A 27 2.429 -0.033 -4.677 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.227 -2.842 -5.841 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.753 -2.000 -5.659 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.974 -1.787 -3.122 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.956 -3.151 -3.539 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.994 -4.384 -4.364 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.990 -3.033 -3.862 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.226 -3.319 -1.508 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.178 -4.637 -1.995 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.030 -5.752 -1.300 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.375 -5.611 -2.957 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.112 -4.561 -1.844 1.00 15.47 H new ATOM 439 N ALA A 28 1.413 -0.367 -7.730 1.00 6.61 N ATOM 440 CA ALA A 28 1.610 0.266 -8.996 1.00 7.74 C ATOM 441 C ALA A 28 1.155 1.682 -9.087 1.00 9.17 C ATOM 442 O ALA A 28 1.782 2.531 -9.718 1.00 11.45 O ATOM 443 CB ALA A 28 0.781 -0.676 -9.886 1.00 7.68 C ATOM 0 H ALA A 28 0.604 -0.985 -7.673 1.00 6.61 H new ATOM 0 HA ALA A 28 2.662 0.378 -9.260 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.822 -0.331 -10.919 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.187 -1.686 -9.824 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.255 -0.680 -9.546 1.00 7.68 H new ATOM 449 N LYS A 29 0.132 1.978 -8.266 1.00 8.96 N ATOM 450 CA LYS A 29 -0.401 3.295 -8.101 1.00 7.90 C ATOM 451 C LYS A 29 0.556 4.281 -7.526 1.00 6.92 C ATOM 452 O LYS A 29 0.663 5.432 -7.947 1.00 6.87 O ATOM 453 CB LYS A 29 -1.736 3.109 -7.359 1.00 10.28 C ATOM 454 CG LYS A 29 -2.905 2.734 -8.271 1.00 14.94 C ATOM 455 CD LYS A 29 -4.219 2.651 -7.492 1.00 19.69 C ATOM 456 CE LYS A 29 -5.376 2.047 -8.290 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.057 0.691 -8.790 1.00 24.98 N ATOM 0 H LYS A 29 -0.341 1.276 -7.697 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.589 3.778 -9.060 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.615 2.334 -6.603 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.980 4.032 -6.833 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.999 3.473 -9.067 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.703 1.775 -8.748 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.060 2.055 -6.593 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.500 3.652 -7.165 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.265 2.002 -7.661 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.614 2.697 -9.132 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.916 0.105 -8.778 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.696 0.756 -9.763 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.334 0.258 -8.181 1.00 24.98 H new ATOM 471 N ILE A 30 1.222 3.791 -6.466 1.00 4.57 N ATOM 472 CA ILE A 30 2.300 4.465 -5.812 1.00 5.58 C ATOM 473 C ILE A 30 3.508 4.492 -6.685 1.00 7.26 C ATOM 474 O ILE A 30 4.185 5.518 -6.649 1.00 9.46 O ATOM 475 CB ILE A 30 2.606 3.783 -4.512 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.357 3.764 -3.615 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.686 4.597 -3.779 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.513 3.108 -2.244 1.00 2.00 C ATOM 0 H ILE A 30 1.000 2.888 -6.047 1.00 4.57 H new ATOM 0 HA ILE A 30 2.005 5.495 -5.612 1.00 5.58 H new ATOM 0 HB ILE A 30 2.936 2.764 -4.714 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.028 4.792 -3.466 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.560 3.249 -4.151 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.922 4.116 -2.830 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.584 4.647 -4.394 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.318 5.606 -3.593 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.566 3.157 -1.707 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.805 2.065 -2.371 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.280 3.633 -1.675 1.00 2.00 H new ATOM 490 N GLN A 31 3.896 3.518 -7.527 1.00 7.06 N ATOM 491 CA GLN A 31 4.903 3.566 -8.542 1.00 8.67 C ATOM 492 C GLN A 31 4.615 4.664 -9.507 1.00 10.90 C ATOM 493 O GLN A 31 5.492 5.323 -10.064 1.00 9.63 O ATOM 494 CB GLN A 31 5.166 2.194 -9.185 1.00 9.12 C ATOM 495 CG GLN A 31 6.378 2.214 -10.118 1.00 10.76 C ATOM 496 CD GLN A 31 6.652 0.841 -10.715 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.796 0.391 -10.750 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.616 0.175 -11.293 1.00 14.76 N ATOM 0 H GLN A 31 3.455 2.599 -7.490 1.00 7.06 H new ATOM 0 HA GLN A 31 5.856 3.814 -8.074 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.325 1.453 -8.402 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.284 1.882 -9.745 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.208 2.932 -10.920 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.255 2.553 -9.567 1.00 10.76 H new ATOM 0 HE21 GLN A 31 4.674 0.564 -11.254 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.781 -0.714 -11.766 1.00 14.76 H new ATOM 507 N ASP A 32 3.357 5.062 -9.768 1.00 10.93 N ATOM 508 CA ASP A 32 2.977 6.028 -10.752 1.00 14.01 C ATOM 509 C ASP A 32 3.096 7.417 -10.226 1.00 14.04 C ATOM 510 O ASP A 32 3.564 8.379 -10.832 1.00 13.39 O ATOM 511 CB ASP A 32 1.608 5.554 -11.267 1.00 18.01 C ATOM 512 CG ASP A 32 1.103 6.058 -12.612 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.684 5.609 -13.636 1.00 26.29 O ATOM 514 OD2 ASP A 32 -0.002 6.659 -12.681 1.00 25.17 O ATOM 0 H ASP A 32 2.556 4.686 -9.260 1.00 10.93 H new ATOM 0 HA ASP A 32 3.642 6.091 -11.613 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.635 4.465 -11.314 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.865 5.823 -10.516 1.00 18.01 H new ATOM 519 N LYS A 33 2.494 7.631 -9.042 1.00 14.22 N ATOM 520 CA LYS A 33 2.554 8.857 -8.307 1.00 14.00 C ATOM 521 C LYS A 33 3.921 9.187 -7.817 1.00 12.37 C ATOM 522 O LYS A 33 4.395 10.297 -8.053 1.00 12.17 O ATOM 523 CB LYS A 33 1.519 8.919 -7.171 1.00 18.62 C ATOM 524 CG LYS A 33 0.089 8.866 -7.711 1.00 24.00 C ATOM 525 CD LYS A 33 -0.401 10.242 -8.168 1.00 27.61 C ATOM 526 CE LYS A 33 -1.887 10.360 -8.512 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.368 9.450 -9.576 1.00 30.06 N ATOM 0 H LYS A 33 1.939 6.914 -8.575 1.00 14.22 H new ATOM 0 HA LYS A 33 2.290 9.631 -9.028 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.681 8.088 -6.485 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.659 9.836 -6.599 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.043 8.168 -8.547 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.577 8.482 -6.938 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.175 10.963 -7.382 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.176 10.535 -9.045 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.467 10.173 -7.608 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.092 11.387 -8.816 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.384 9.607 -9.734 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.847 9.639 -10.456 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.211 8.464 -9.286 1.00 30.06 H new ATOM 541 N GLU A 34 4.597 8.259 -7.115 1.00 10.11 N ATOM 542 CA GLU A 34 5.722 8.604 -6.302 1.00 10.07 C ATOM 543 C GLU A 34 6.958 8.106 -6.969 1.00 9.32 C ATOM 544 O GLU A 34 7.998 8.751 -6.848 1.00 11.61 O ATOM 545 CB GLU A 34 5.823 8.075 -4.862 1.00 14.77 C ATOM 546 CG GLU A 34 4.762 8.647 -3.920 1.00 18.75 C ATOM 547 CD GLU A 34 4.976 10.147 -3.779 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.062 10.548 -3.280 1.00 25.19 O ATOM 549 OE2 GLU A 34 4.071 10.950 -4.132 1.00 21.95 O ATOM 0 H GLU A 34 4.363 7.266 -7.111 1.00 10.11 H new ATOM 0 HA GLU A 34 5.595 9.683 -6.209 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.735 6.989 -4.877 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.811 8.310 -4.467 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.765 8.445 -4.310 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.826 8.165 -2.945 1.00 18.75 H new ATOM 556 N GLY A 35 6.987 6.912 -7.587 1.00 7.22 N ATOM 557 CA GLY A 35 8.120 6.419 -8.306 1.00 6.29 C ATOM 558 C GLY A 35 8.926 5.625 -7.337 1.00 6.93 C ATOM 559 O GLY A 35 10.151 5.675 -7.431 1.00 7.41 O ATOM 0 H GLY A 35 6.196 6.268 -7.586 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.806 5.801 -9.147 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.707 7.241 -8.716 1.00 6.29 H new ATOM 563 N ILE A 36 8.315 4.866 -6.409 1.00 5.86 N ATOM 564 CA ILE A 36 8.938 4.053 -5.411 1.00 6.07 C ATOM 565 C ILE A 36 8.638 2.733 -6.034 1.00 6.36 C ATOM 566 O ILE A 36 7.458 2.549 -6.327 1.00 6.18 O ATOM 567 CB ILE A 36 8.417 4.171 -4.009 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.469 5.621 -3.499 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.232 3.263 -3.074 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.554 5.749 -2.282 1.00 9.49 C ATOM 0 H ILE A 36 7.298 4.819 -6.354 1.00 5.86 H new ATOM 0 HA ILE A 36 9.981 4.306 -5.219 1.00 6.07 H new ATOM 0 HB ILE A 36 7.373 3.858 -4.015 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.491 5.891 -3.233 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.152 6.308 -4.283 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.850 3.352 -2.057 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.145 2.228 -3.405 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.279 3.564 -3.096 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.583 6.774 -1.911 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.533 5.494 -2.566 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.893 5.070 -1.499 1.00 9.49 H new ATOM 582 N PRO A 37 9.522 1.833 -6.349 1.00 8.65 N ATOM 583 CA PRO A 37 9.150 0.711 -7.161 1.00 9.18 C ATOM 584 C PRO A 37 8.712 -0.384 -6.250 1.00 9.85 C ATOM 585 O PRO A 37 8.944 -0.316 -5.044 1.00 8.51 O ATOM 586 CB PRO A 37 10.424 0.510 -7.977 1.00 11.42 C ATOM 587 CG PRO A 37 11.575 0.813 -7.004 1.00 9.27 C ATOM 588 CD PRO A 37 10.963 1.984 -6.219 1.00 8.33 C ATOM 0 HA PRO A 37 8.303 0.800 -7.841 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.490 -0.508 -8.361 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.450 1.178 -8.838 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.814 -0.037 -6.365 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.494 1.093 -7.520 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.267 1.956 -5.173 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.295 2.941 -6.621 1.00 8.33 H new ATOM 596 N PRO A 38 8.090 -1.401 -6.769 1.00 8.71 N ATOM 597 CA PRO A 38 7.443 -2.404 -5.974 1.00 9.08 C ATOM 598 C PRO A 38 8.330 -3.245 -5.122 1.00 9.28 C ATOM 599 O PRO A 38 7.917 -3.768 -4.088 1.00 6.50 O ATOM 600 CB PRO A 38 6.529 -3.212 -6.893 1.00 10.31 C ATOM 601 CG PRO A 38 7.152 -2.972 -8.277 1.00 10.81 C ATOM 602 CD PRO A 38 7.752 -1.560 -8.175 1.00 12.00 C ATOM 0 HA PRO A 38 6.858 -1.890 -5.211 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.521 -4.270 -6.630 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.497 -2.864 -6.847 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.916 -3.715 -8.505 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.404 -3.032 -9.067 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.634 -1.458 -8.808 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.038 -0.802 -8.498 1.00 12.00 H new ATOM 610 N ASP A 39 9.615 -3.392 -5.491 1.00 11.20 N ATOM 611 CA ASP A 39 10.399 -4.194 -4.604 1.00 14.96 C ATOM 612 C ASP A 39 10.884 -3.403 -3.438 1.00 13.99 C ATOM 613 O ASP A 39 11.180 -4.019 -2.415 1.00 13.75 O ATOM 614 CB ASP A 39 11.733 -4.587 -5.261 1.00 24.16 C ATOM 615 CG ASP A 39 11.673 -5.689 -6.309 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.400 -6.864 -5.946 1.00 35.55 O ATOM 617 OD2 ASP A 39 11.930 -5.345 -7.494 1.00 34.22 O ATOM 0 H ASP A 39 10.076 -3.003 -6.314 1.00 11.20 H new ATOM 0 HA ASP A 39 9.754 -5.031 -4.339 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.160 -3.698 -5.724 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.421 -4.899 -4.476 1.00 24.16 H new ATOM 622 N GLN A 40 11.006 -2.064 -3.426 1.00 11.60 N ATOM 623 CA GLN A 40 11.482 -1.351 -2.282 1.00 10.76 C ATOM 624 C GLN A 40 10.383 -0.918 -1.374 1.00 8.01 C ATOM 625 O GLN A 40 10.690 -0.514 -0.253 1.00 8.96 O ATOM 626 CB GLN A 40 12.190 -0.089 -2.805 1.00 11.14 C ATOM 627 CG GLN A 40 13.429 -0.251 -3.688 1.00 14.85 C ATOM 628 CD GLN A 40 14.181 1.050 -3.930 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.381 1.996 -3.170 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.689 1.177 -5.185 1.00 18.16 N ATOM 0 H GLN A 40 10.771 -1.468 -4.220 1.00 11.60 H new ATOM 0 HA GLN A 40 12.138 -2.009 -1.712 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.458 0.491 -3.367 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.477 0.511 -1.941 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.104 -0.970 -3.223 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.128 -0.671 -4.648 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.559 0.429 -5.866 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.200 2.021 -5.445 1.00 18.16 H new ATOM 639 N GLN A 41 9.104 -0.989 -1.785 1.00 6.52 N ATOM 640 CA GLN A 41 7.922 -0.779 -1.008 1.00 3.87 C ATOM 641 C GLN A 41 7.594 -1.914 -0.101 1.00 4.79 C ATOM 642 O GLN A 41 7.051 -2.915 -0.566 1.00 6.34 O ATOM 643 CB GLN A 41 6.613 -0.533 -1.776 1.00 4.20 C ATOM 644 CG GLN A 41 6.599 0.628 -2.773 1.00 3.20 C ATOM 645 CD GLN A 41 5.248 0.814 -3.449 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.211 0.713 -2.796 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.285 1.372 -4.689 1.00 7.13 N ATOM 0 H GLN A 41 8.879 -1.215 -2.754 1.00 6.52 H new ATOM 0 HA GLN A 41 8.219 0.128 -0.482 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.360 -1.446 -2.316 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.820 -0.363 -1.048 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.870 1.548 -2.255 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.360 0.455 -3.534 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.169 1.435 -5.194 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.429 1.728 -5.114 1.00 7.13 H new ATOM 656 N ARG A 42 7.950 -1.763 1.187 1.00 5.73 N ATOM 657 CA ARG A 42 7.545 -2.584 2.286 1.00 6.97 C ATOM 658 C ARG A 42 6.241 -1.959 2.644 1.00 7.15 C ATOM 659 O ARG A 42 6.182 -0.811 3.081 1.00 7.33 O ATOM 660 CB ARG A 42 8.537 -2.641 3.460 1.00 13.23 C ATOM 661 CG ARG A 42 9.729 -3.547 3.144 1.00 21.27 C ATOM 662 CD ARG A 42 10.754 -3.640 4.276 1.00 26.14 C ATOM 663 NE ARG A 42 10.210 -4.417 5.424 1.00 32.26 N ATOM 664 CZ ARG A 42 10.455 -4.049 6.716 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.513 -3.256 7.056 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.681 -4.488 7.751 1.00 36.39 N ATOM 0 H ARG A 42 8.569 -1.008 1.482 1.00 5.73 H new ATOM 0 HA ARG A 42 7.487 -3.641 2.026 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.893 -1.636 3.686 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.027 -3.007 4.351 1.00 13.23 H new ATOM 0 HG2 ARG A 42 9.362 -4.548 2.916 1.00 21.27 H new ATOM 0 HG3 ARG A 42 10.226 -3.178 2.247 1.00 21.27 H new ATOM 0 HD2 ARG A 42 11.664 -4.115 3.909 1.00 26.14 H new ATOM 0 HD3 ARG A 42 11.028 -2.638 4.607 1.00 26.14 H new ATOM 0 HE ARG A 42 9.641 -5.244 5.241 1.00 32.26 H new ATOM 0 HH11 ARG A 42 12.150 -2.919 6.334 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.666 -3.000 8.032 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.893 -5.110 7.570 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.891 -4.194 8.705 1.00 36.39 H new ATOM 680 N LEU A 43 5.104 -2.654 2.457 1.00 4.65 N ATOM 681 CA LEU A 43 3.842 -2.290 3.021 1.00 3.51 C ATOM 682 C LEU A 43 3.547 -3.130 4.216 1.00 5.56 C ATOM 683 O LEU A 43 3.332 -4.327 4.030 1.00 4.19 O ATOM 684 CB LEU A 43 2.652 -2.478 2.064 1.00 3.74 C ATOM 685 CG LEU A 43 2.649 -1.630 0.782 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.494 -1.896 -0.198 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.687 -0.116 1.049 1.00 9.55 C ATOM 0 H LEU A 43 5.063 -3.502 1.891 1.00 4.65 H new ATOM 0 HA LEU A 43 3.942 -1.232 3.263 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.611 -3.528 1.776 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.736 -2.263 2.615 1.00 3.74 H new ATOM 0 HG LEU A 43 3.573 -1.962 0.309 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.594 -1.242 -1.064 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.525 -2.936 -0.523 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.543 -1.699 0.298 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.683 0.421 0.100 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.813 0.172 1.633 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.592 0.133 1.603 1.00 9.55 H new ATOM 699 N ILE A 44 3.473 -2.513 5.408 1.00 4.58 N ATOM 700 CA ILE A 44 3.187 -3.007 6.719 1.00 5.55 C ATOM 701 C ILE A 44 1.879 -2.458 7.176 1.00 5.46 C ATOM 702 O ILE A 44 1.523 -1.338 6.814 1.00 6.04 O ATOM 703 CB ILE A 44 4.367 -2.808 7.624 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.739 -3.033 6.967 1.00 10.31 C ATOM 705 CG2 ILE A 44 4.249 -3.622 8.924 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.792 -2.582 7.977 1.00 13.90 C ATOM 0 H ILE A 44 3.642 -1.508 5.451 1.00 4.58 H new ATOM 0 HA ILE A 44 3.048 -4.088 6.728 1.00 5.55 H new ATOM 0 HB ILE A 44 4.329 -1.746 7.868 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.876 -4.083 6.709 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.822 -2.463 6.041 1.00 10.31 H new ATOM 0 HG21 ILE A 44 5.127 -3.444 9.545 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.354 -3.316 9.465 1.00 7.39 H new ATOM 0 HG23 ILE A 44 4.183 -4.683 8.684 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.786 -2.723 7.554 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.644 -1.528 8.211 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.698 -3.173 8.888 1.00 13.90 H new ATOM 718 N PHE A 45 1.047 -3.306 7.805 1.00 6.75 N ATOM 719 CA PHE A 45 -0.309 -3.052 8.182 1.00 4.70 C ATOM 720 C PHE A 45 -0.447 -3.526 9.588 1.00 6.34 C ATOM 721 O PHE A 45 -0.424 -4.717 9.891 1.00 5.45 O ATOM 722 CB PHE A 45 -1.207 -3.827 7.202 1.00 5.51 C ATOM 723 CG PHE A 45 -2.606 -3.341 7.364 1.00 5.98 C ATOM 724 CD1 PHE A 45 -2.891 -2.089 6.871 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.570 -4.025 8.067 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.169 -1.587 6.945 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.850 -3.543 8.202 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.130 -2.374 7.534 1.00 6.84 C ATOM 0 H PHE A 45 1.348 -4.244 8.071 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.595 -2.001 8.137 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -0.869 -3.676 6.177 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.151 -4.897 7.401 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.107 -1.497 6.423 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.314 -4.968 8.526 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.409 -0.609 6.554 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.593 -4.053 8.798 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.160 -2.057 7.469 1.00 6.84 H new ATOM 738 N ALA A 46 -0.380 -2.587 10.549 1.00 6.53 N ATOM 739 CA ALA A 46 -0.053 -2.881 11.909 1.00 7.15 C ATOM 740 C ALA A 46 1.346 -3.358 12.093 1.00 9.00 C ATOM 741 O ALA A 46 2.271 -2.579 11.869 1.00 11.15 O ATOM 742 CB ALA A 46 -1.156 -3.623 12.684 1.00 8.99 C ATOM 0 H ALA A 46 -0.558 -1.598 10.375 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.043 -1.923 12.429 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.823 -3.805 13.706 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.061 -3.016 12.700 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.366 -4.575 12.196 1.00 8.99 H new ATOM 748 N GLY A 47 1.562 -4.650 12.398 1.00 9.35 N ATOM 749 CA GLY A 47 2.830 -5.308 12.466 1.00 11.68 C ATOM 750 C GLY A 47 2.937 -6.423 11.482 1.00 11.14 C ATOM 751 O GLY A 47 3.823 -7.257 11.660 1.00 13.93 O ATOM 0 H GLY A 47 0.790 -5.282 12.613 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.624 -4.584 12.281 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.982 -5.698 13.473 1.00 11.68 H new ATOM 755 N LYS A 48 2.112 -6.541 10.426 1.00 10.47 N ATOM 756 CA LYS A 48 2.147 -7.485 9.353 1.00 8.82 C ATOM 757 C LYS A 48 2.606 -6.837 8.092 1.00 7.68 C ATOM 758 O LYS A 48 2.005 -5.918 7.537 1.00 6.47 O ATOM 759 CB LYS A 48 0.751 -8.077 9.096 1.00 9.74 C ATOM 760 CG LYS A 48 0.783 -9.165 8.021 1.00 14.14 C ATOM 761 CD LYS A 48 -0.364 -10.174 7.944 1.00 16.32 C ATOM 762 CE LYS A 48 -0.591 -11.030 9.192 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.251 -12.277 8.746 1.00 23.92 N ATOM 0 H LYS A 48 1.329 -5.896 10.315 1.00 10.47 H new ATOM 0 HA LYS A 48 2.840 -8.274 9.645 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.357 -8.494 10.023 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.071 -7.283 8.789 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.848 -8.668 7.053 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.707 -9.728 8.152 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.284 -9.632 7.728 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -0.180 -10.839 7.100 1.00 16.32 H new ATOM 0 HE2 LYS A 48 0.355 -11.250 9.686 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.213 -10.501 9.915 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.425 -12.891 9.567 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.156 -12.046 8.289 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -0.637 -12.771 8.068 1.00 23.92 H new ATOM 777 N GLN A 49 3.723 -7.305 7.507 1.00 8.89 N ATOM 778 CA GLN A 49 4.089 -7.097 6.141 1.00 7.18 C ATOM 779 C GLN A 49 3.221 -7.843 5.187 1.00 8.23 C ATOM 780 O GLN A 49 3.272 -9.072 5.199 1.00 9.70 O ATOM 781 CB GLN A 49 5.572 -7.413 5.883 1.00 11.67 C ATOM 782 CG GLN A 49 5.987 -6.891 4.506 1.00 15.82 C ATOM 783 CD GLN A 49 7.503 -6.764 4.552 1.00 20.21 C ATOM 784 OE1 GLN A 49 8.052 -5.838 5.147 1.00 23.23 O ATOM 785 NE2 GLN A 49 8.209 -7.816 4.057 1.00 20.67 N ATOM 0 H GLN A 49 4.409 -7.860 8.018 1.00 8.89 H new ATOM 0 HA GLN A 49 3.932 -6.034 5.957 1.00 7.18 H new ATOM 0 HB2 GLN A 49 6.190 -6.955 6.656 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.738 -8.489 5.938 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.675 -7.576 3.718 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.520 -5.929 4.295 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.726 -8.570 3.568 1.00 20.67 H new ATOM 0 HE22 GLN A 49 9.222 -7.851 4.175 1.00 20.67 H new ATOM 794 N LEU A 50 2.613 -7.116 4.233 1.00 6.51 N ATOM 795 CA LEU A 50 1.714 -7.631 3.247 1.00 7.41 C ATOM 796 C LEU A 50 2.434 -8.289 2.121 1.00 8.27 C ATOM 797 O LEU A 50 3.661 -8.228 2.073 1.00 8.34 O ATOM 798 CB LEU A 50 0.848 -6.530 2.613 1.00 7.13 C ATOM 799 CG LEU A 50 0.184 -5.577 3.620 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.677 -4.504 2.932 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.699 -6.274 4.669 1.00 8.14 C ATOM 0 H LEU A 50 2.758 -6.110 4.145 1.00 6.51 H new ATOM 0 HA LEU A 50 1.095 -8.347 3.787 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.468 -5.945 1.934 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.071 -7.000 2.010 1.00 7.13 H new ATOM 0 HG LEU A 50 1.034 -5.122 4.129 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.124 -3.857 3.687 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.053 -3.908 2.266 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.466 -4.986 2.354 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.127 -5.528 5.338 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.502 -6.815 4.168 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.095 -6.974 5.246 1.00 8.14 H new ATOM 813 N GLU A 51 1.788 -9.123 1.286 1.00 9.43 N ATOM 814 CA GLU A 51 2.373 -9.844 0.199 1.00 11.90 C ATOM 815 C GLU A 51 1.547 -9.458 -0.979 1.00 11.49 C ATOM 816 O GLU A 51 0.348 -9.184 -0.979 1.00 9.88 O ATOM 817 CB GLU A 51 2.302 -11.372 0.362 1.00 16.56 C ATOM 818 CG GLU A 51 3.078 -11.923 1.560 1.00 26.06 C ATOM 819 CD GLU A 51 2.813 -13.380 1.910 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.620 -13.701 2.157 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.801 -14.115 2.179 1.00 33.44 O ATOM 0 H GLU A 51 0.789 -9.305 1.378 1.00 9.43 H new ATOM 0 HA GLU A 51 3.433 -9.603 0.120 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.257 -11.666 0.457 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.683 -11.839 -0.546 1.00 16.56 H new ATOM 0 HG2 GLU A 51 4.144 -11.805 1.364 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.845 -11.312 2.432 1.00 26.06 H new ATOM 828 N ASP A 52 2.266 -9.294 -2.104 1.00 12.71 N ATOM 829 CA ASP A 52 1.956 -8.450 -3.216 1.00 16.56 C ATOM 830 C ASP A 52 0.736 -8.840 -3.977 1.00 15.83 C ATOM 831 O ASP A 52 -0.119 -8.004 -4.261 1.00 17.21 O ATOM 832 CB ASP A 52 3.164 -8.413 -4.167 1.00 21.05 C ATOM 833 CG ASP A 52 4.497 -8.073 -3.516 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.918 -8.796 -2.573 1.00 25.82 O ATOM 835 OD2 ASP A 52 5.136 -7.065 -3.920 1.00 28.37 O ATOM 0 H ASP A 52 3.142 -9.798 -2.246 1.00 12.71 H new ATOM 0 HA ASP A 52 1.738 -7.467 -2.799 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.253 -9.385 -4.652 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.965 -7.683 -4.951 1.00 21.05 H new ATOM 840 N GLY A 53 0.555 -10.117 -4.360 1.00 15.00 N ATOM 841 CA GLY A 53 -0.568 -10.569 -5.122 1.00 11.77 C ATOM 842 C GLY A 53 -1.820 -10.857 -4.368 1.00 11.10 C ATOM 843 O GLY A 53 -2.787 -11.371 -4.929 1.00 11.25 O ATOM 0 H GLY A 53 1.214 -10.861 -4.131 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.792 -9.815 -5.877 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.276 -11.475 -5.653 1.00 11.77 H new ATOM 847 N ARG A 54 -1.852 -10.667 -3.037 1.00 8.53 N ATOM 848 CA ARG A 54 -3.059 -10.725 -2.272 1.00 9.05 C ATOM 849 C ARG A 54 -3.891 -9.505 -2.473 1.00 8.96 C ATOM 850 O ARG A 54 -3.529 -8.430 -2.949 1.00 11.60 O ATOM 851 CB ARG A 54 -2.691 -11.145 -0.839 1.00 7.97 C ATOM 852 CG ARG A 54 -2.395 -12.604 -0.489 1.00 9.62 C ATOM 853 CD ARG A 54 -3.471 -13.595 -0.940 1.00 12.20 C ATOM 854 NE ARG A 54 -2.926 -14.956 -0.677 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.515 -16.132 -1.043 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.761 -16.142 -1.600 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.893 -17.340 -0.916 1.00 25.50 N ATOM 0 H ARG A 54 -1.021 -10.469 -2.480 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.749 -11.495 -2.616 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -1.813 -10.566 -0.554 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.509 -10.823 -0.194 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.445 -12.888 -0.942 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.271 -12.688 0.591 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.400 -13.436 -0.392 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.699 -13.466 -1.998 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.037 -15.014 -0.181 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.261 -15.265 -1.746 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.192 -17.026 -1.870 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.949 -17.390 -0.534 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.373 -18.193 -1.203 1.00 25.50 H new ATOM 871 N THR A 55 -5.180 -9.648 -2.118 1.00 9.05 N ATOM 872 CA THR A 55 -6.173 -8.621 -2.176 1.00 9.03 C ATOM 873 C THR A 55 -6.222 -7.800 -0.933 1.00 8.15 C ATOM 874 O THR A 55 -5.593 -8.067 0.089 1.00 5.91 O ATOM 875 CB THR A 55 -7.575 -8.925 -2.616 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.179 -9.710 -1.599 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.619 -9.609 -3.993 1.00 11.71 C ATOM 0 H THR A 55 -5.550 -10.533 -1.770 1.00 9.05 H new ATOM 0 HA THR A 55 -5.772 -8.077 -3.031 1.00 9.03 H new ATOM 0 HB THR A 55 -8.134 -7.999 -2.749 1.00 11.15 H new ATOM 0 HG1 THR A 55 -7.512 -10.316 -1.214 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.655 -9.808 -4.267 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.166 -8.956 -4.738 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.068 -10.548 -3.950 1.00 11.71 H new ATOM 885 N LEU A 56 -6.873 -6.628 -1.048 1.00 6.91 N ATOM 886 CA LEU A 56 -7.354 -5.820 0.029 1.00 8.29 C ATOM 887 C LEU A 56 -8.352 -6.460 0.931 1.00 8.05 C ATOM 888 O LEU A 56 -8.335 -6.172 2.126 1.00 10.17 O ATOM 889 CB LEU A 56 -7.965 -4.530 -0.543 1.00 6.60 C ATOM 890 CG LEU A 56 -7.033 -3.570 -1.302 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.841 -2.506 -2.064 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.993 -2.823 -0.450 1.00 9.85 C ATOM 0 H LEU A 56 -7.077 -6.217 -1.959 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.479 -5.633 0.651 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.775 -4.813 -1.216 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.415 -3.978 0.282 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.485 -4.237 -1.967 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.159 -1.840 -2.592 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.500 -2.994 -2.782 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.438 -1.928 -1.359 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.394 -2.177 -1.091 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.503 -2.218 0.300 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.344 -3.544 0.046 1.00 9.85 H new ATOM 904 N SER A 57 -9.201 -7.367 0.414 1.00 8.92 N ATOM 905 CA SER A 57 -10.012 -8.255 1.188 1.00 9.00 C ATOM 906 C SER A 57 -9.251 -9.115 2.137 1.00 9.44 C ATOM 907 O SER A 57 -9.594 -9.377 3.289 1.00 10.91 O ATOM 908 CB SER A 57 -10.859 -9.126 0.244 1.00 10.32 C ATOM 909 OG SER A 57 -11.288 -8.422 -0.911 1.00 13.59 O ATOM 0 H SER A 57 -9.328 -7.486 -0.591 1.00 8.92 H new ATOM 0 HA SER A 57 -10.647 -7.626 1.812 1.00 9.00 H new ATOM 0 HB2 SER A 57 -10.278 -9.996 -0.061 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.731 -9.498 0.783 1.00 10.32 H new ATOM 0 HG SER A 57 -11.820 -9.018 -1.479 1.00 13.59 H new ATOM 915 N ASP A 58 -8.069 -9.585 1.700 1.00 9.11 N ATOM 916 CA ASP A 58 -7.377 -10.597 2.436 1.00 7.91 C ATOM 917 C ASP A 58 -6.880 -10.213 3.787 1.00 9.12 C ATOM 918 O ASP A 58 -6.838 -10.971 4.754 1.00 8.61 O ATOM 919 CB ASP A 58 -6.182 -11.186 1.667 1.00 8.41 C ATOM 920 CG ASP A 58 -6.765 -11.997 0.518 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.258 -13.099 0.876 1.00 10.05 O ATOM 922 OD2 ASP A 58 -6.733 -11.619 -0.683 1.00 11.70 O ATOM 0 H ASP A 58 -7.598 -9.271 0.851 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.169 -11.333 2.572 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -5.533 -10.394 1.293 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -5.574 -11.816 2.317 1.00 8.41 H new ATOM 927 N TYR A 59 -6.495 -8.937 3.967 1.00 7.97 N ATOM 928 CA TYR A 59 -6.093 -8.430 5.242 1.00 8.45 C ATOM 929 C TYR A 59 -7.138 -7.576 5.874 1.00 10.98 C ATOM 930 O TYR A 59 -6.838 -7.080 6.959 1.00 12.95 O ATOM 931 CB TYR A 59 -4.773 -7.647 5.144 1.00 7.94 C ATOM 932 CG TYR A 59 -3.688 -8.376 4.431 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.168 -9.570 4.873 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.367 -7.920 3.174 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.293 -10.322 4.125 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.545 -8.685 2.381 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.014 -9.859 2.861 1.00 6.76 C ATOM 938 OH TYR A 59 -1.105 -10.627 2.102 1.00 7.63 O ATOM 0 H TYR A 59 -6.462 -8.247 3.216 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.944 -9.302 5.879 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -4.960 -6.703 4.632 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.432 -7.402 6.150 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.459 -9.932 5.848 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.754 -6.977 2.816 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.849 -11.228 4.510 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.315 -8.362 1.376 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.172 -11.568 2.366 1.00 7.63 H new ATOM 948 N ASN A 60 -8.309 -7.409 5.234 1.00 12.38 N ATOM 949 CA ASN A 60 -9.380 -6.577 5.689 1.00 13.94 C ATOM 950 C ASN A 60 -9.178 -5.102 5.622 1.00 14.16 C ATOM 951 O ASN A 60 -9.425 -4.400 6.601 1.00 14.26 O ATOM 952 CB ASN A 60 -9.950 -7.003 7.053 1.00 19.23 C ATOM 953 CG ASN A 60 -10.563 -8.396 7.020 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.429 -8.746 6.220 1.00 25.45 O ATOM 955 ND2 ASN A 60 -9.927 -9.325 7.783 1.00 24.09 N ATOM 0 H ASN A 60 -8.520 -7.879 4.353 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.131 -6.769 4.923 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.156 -6.977 7.799 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.707 -6.284 7.367 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -10.168 -10.312 7.692 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -9.209 -9.035 8.447 1.00 24.09 H new ATOM 962 N ILE A 61 -8.724 -4.588 4.465 1.00 11.08 N ATOM 963 CA ILE A 61 -8.434 -3.188 4.510 1.00 11.78 C ATOM 964 C ILE A 61 -9.619 -2.393 4.083 1.00 13.74 C ATOM 965 O ILE A 61 -10.156 -2.693 3.018 1.00 14.60 O ATOM 966 CB ILE A 61 -7.239 -2.961 3.632 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.962 -3.640 4.155 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.995 -1.452 3.459 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.885 -3.878 3.097 1.00 11.42 C ATOM 0 H ILE A 61 -8.569 -5.078 3.584 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.208 -2.858 5.524 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.467 -3.420 2.670 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.541 -3.026 4.951 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.232 -4.597 4.600 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.126 -1.295 2.820 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.870 -0.992 3.000 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.816 -0.998 4.434 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.023 -4.360 3.558 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.283 -4.520 2.311 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.580 -2.924 2.667 1.00 11.42 H new ATOM 981 N GLN A 62 -10.085 -1.448 4.919 1.00 13.97 N ATOM 982 CA GLN A 62 -11.326 -0.764 4.727 1.00 15.52 C ATOM 983 C GLN A 62 -11.089 0.652 4.330 1.00 13.94 C ATOM 984 O GLN A 62 -9.938 1.084 4.297 1.00 12.15 O ATOM 985 CB GLN A 62 -12.166 -0.861 6.012 1.00 19.53 C ATOM 986 CG GLN A 62 -12.288 -2.282 6.564 1.00 26.38 C ATOM 987 CD GLN A 62 -13.130 -2.226 7.831 1.00 30.61 C ATOM 988 OE1 GLN A 62 -12.570 -1.977 8.897 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.433 -2.605 7.734 1.00 32.71 N ATOM 0 H GLN A 62 -9.582 -1.150 5.755 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.881 -1.236 3.916 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.721 -0.222 6.775 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.164 -0.472 5.813 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.752 -2.938 5.827 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.302 -2.692 6.780 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.841 -2.798 6.819 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.002 -2.696 8.576 1.00 32.71 H new ATOM 998 N LYS A 63 -12.127 1.397 3.908 1.00 11.73 N ATOM 999 CA LYS A 63 -12.110 2.692 3.303 1.00 11.97 C ATOM 1000 C LYS A 63 -11.548 3.696 4.249 1.00 10.41 C ATOM 1001 O LYS A 63 -11.660 3.561 5.466 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.540 3.058 2.872 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.556 3.337 3.982 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.896 4.824 4.099 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.735 5.239 5.309 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.834 6.688 5.594 1.00 25.97 N ATOM 0 H LYS A 63 -13.081 1.050 4.003 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.470 2.685 2.421 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.485 3.941 2.235 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.926 2.245 2.257 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.468 2.773 3.787 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.159 2.982 4.933 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -13.963 5.387 4.122 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.427 5.125 3.196 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.744 4.852 5.170 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.324 4.748 6.191 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -15.423 6.887 6.528 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.315 7.221 4.867 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.833 6.976 5.587 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.779 4.715 3.823 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.111 5.650 4.674 1.00 10.94 C ATOM 1022 C GLU A 64 -9.163 5.068 5.665 1.00 9.74 C ATOM 1023 O GLU A 64 -8.872 5.700 6.679 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.104 6.667 5.263 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.771 7.577 4.230 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.894 8.450 4.771 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.665 9.331 5.643 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.053 8.182 4.357 1.00 31.72 O ATOM 0 H GLU A 64 -10.615 4.895 2.832 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.429 6.199 4.025 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.879 6.126 5.806 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.580 7.287 5.990 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.010 8.222 3.791 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.168 6.958 3.425 1.00 24.16 H new ATOM 1035 N SER A 65 -8.610 3.860 5.452 1.00 6.85 N ATOM 1036 CA SER A 65 -7.715 3.220 6.365 1.00 6.90 C ATOM 1037 C SER A 65 -6.304 3.543 6.012 1.00 4.72 C ATOM 1038 O SER A 65 -5.885 3.978 4.940 1.00 3.91 O ATOM 1039 CB SER A 65 -7.978 1.704 6.352 1.00 7.28 C ATOM 1040 OG SER A 65 -7.255 0.860 7.235 1.00 10.56 O ATOM 0 H SER A 65 -8.793 3.309 4.613 1.00 6.85 H new ATOM 0 HA SER A 65 -7.887 3.587 7.377 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.039 1.555 6.554 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.794 1.350 5.338 1.00 7.28 H new ATOM 0 HG SER A 65 -7.538 -0.069 7.105 1.00 10.56 H new ATOM 1046 N THR A 66 -5.411 3.357 7.001 1.00 4.48 N ATOM 1047 CA THR A 66 -4.000 3.588 6.996 1.00 3.80 C ATOM 1048 C THR A 66 -3.175 2.403 6.626 1.00 4.60 C ATOM 1049 O THR A 66 -3.231 1.423 7.368 1.00 5.33 O ATOM 1050 CB THR A 66 -3.441 3.999 8.325 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.214 5.017 8.945 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.055 4.658 8.221 1.00 3.40 C ATOM 0 H THR A 66 -5.718 3.004 7.907 1.00 4.48 H new ATOM 0 HA THR A 66 -3.930 4.380 6.251 1.00 3.80 H new ATOM 0 HB THR A 66 -3.424 3.062 8.882 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.814 5.252 9.808 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.707 4.932 9.217 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.352 3.957 7.771 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.123 5.552 7.602 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.294 2.558 5.622 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.332 1.586 5.205 1.00 3.85 C ATOM 1062 C LEU A 67 -0.015 2.256 5.400 1.00 3.80 C ATOM 1063 O LEU A 67 0.031 3.483 5.481 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.511 1.160 3.738 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.749 0.320 3.381 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.030 1.164 3.502 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.595 -0.162 1.929 1.00 8.12 C ATOM 0 H LEU A 67 -2.251 3.414 5.068 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.434 0.665 5.779 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.531 2.063 3.127 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.627 0.595 3.443 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.827 -0.524 4.066 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.895 0.552 3.245 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.132 1.526 4.525 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.972 2.013 2.821 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.462 -0.761 1.651 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.521 0.700 1.265 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.692 -0.767 1.840 1.00 8.12 H new ATOM 1079 N HIS A 68 1.082 1.499 5.579 1.00 2.94 N ATOM 1080 CA HIS A 68 2.326 2.122 5.910 1.00 4.17 C ATOM 1081 C HIS A 68 3.426 1.637 5.030 1.00 5.32 C ATOM 1082 O HIS A 68 3.863 0.496 5.173 1.00 7.70 O ATOM 1083 CB HIS A 68 2.726 1.725 7.341 1.00 5.57 C ATOM 1084 CG HIS A 68 3.914 2.410 7.949 1.00 9.95 C ATOM 1085 ND1 HIS A 68 4.399 2.004 9.175 1.00 13.74 N ATOM 1086 CD2 HIS A 68 4.759 3.379 7.507 1.00 12.79 C ATOM 1087 CE1 HIS A 68 5.450 2.814 9.472 1.00 14.75 C ATOM 1088 NE2 HIS A 68 5.728 3.615 8.461 1.00 16.30 N ATOM 0 H HIS A 68 1.111 0.483 5.498 1.00 2.94 H new ATOM 0 HA HIS A 68 2.190 3.197 5.796 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.868 1.902 7.990 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.917 0.652 7.350 1.00 5.57 H new ATOM 0 HD2 HIS A 68 4.684 3.886 6.556 1.00 12.79 H new ATOM 0 HE1 HIS A 68 5.986 2.803 10.410 1.00 14.75 H new ATOM 0 HE2 HIS A 68 6.503 4.275 8.397 1.00 16.30 H new ATOM 1096 N LEU A 69 3.958 2.491 4.138 1.00 5.29 N ATOM 1097 CA LEU A 69 5.055 2.340 3.234 1.00 3.97 C ATOM 1098 C LEU A 69 6.384 2.677 3.817 1.00 5.07 C ATOM 1099 O LEU A 69 6.612 3.847 4.123 1.00 4.34 O ATOM 1100 CB LEU A 69 4.799 3.175 1.968 1.00 6.08 C ATOM 1101 CG LEU A 69 5.418 2.555 0.704 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.764 3.061 -0.593 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.946 2.721 0.635 1.00 6.87 C ATOM 0 H LEU A 69 3.554 3.423 4.042 1.00 5.29 H new ATOM 0 HA LEU A 69 5.106 1.279 2.991 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.724 3.285 1.823 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.205 4.176 2.111 1.00 6.08 H new ATOM 0 HG LEU A 69 5.208 1.489 0.788 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.243 2.588 -1.450 1.00 9.96 H new ATOM 0 HD12 LEU A 69 3.703 2.812 -0.587 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.882 4.142 -0.662 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.321 2.262 -0.280 1.00 6.87 H new ATOM 0 HD22 LEU A 69 7.197 3.782 0.639 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.404 2.237 1.498 1.00 6.87 H new ATOM 1115 N VAL A 70 7.188 1.622 4.040 1.00 4.29 N ATOM 1116 CA VAL A 70 8.460 1.565 4.690 1.00 6.26 C ATOM 1117 C VAL A 70 9.388 1.252 3.567 1.00 9.22 C ATOM 1118 O VAL A 70 9.040 0.554 2.616 1.00 9.36 O ATOM 1119 CB VAL A 70 8.541 0.560 5.801 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.972 0.459 6.354 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.636 1.078 6.932 1.00 8.54 C ATOM 0 H VAL A 70 6.906 0.694 3.723 1.00 4.29 H new ATOM 0 HA VAL A 70 8.696 2.495 5.208 1.00 6.26 H new ATOM 0 HB VAL A 70 8.240 -0.420 5.432 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.000 -0.277 7.158 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.649 0.152 5.557 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.282 1.430 6.740 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.661 0.378 7.767 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.992 2.053 7.265 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.613 1.170 6.566 1.00 8.54 H new ATOM 1131 N LEU A 71 10.598 1.838 3.534 1.00 12.71 N ATOM 1132 CA LEU A 71 11.553 1.815 2.470 1.00 16.06 C ATOM 1133 C LEU A 71 12.526 0.712 2.709 1.00 18.09 C ATOM 1134 O LEU A 71 13.224 0.687 3.722 1.00 19.26 O ATOM 1135 CB LEU A 71 12.261 3.177 2.384 1.00 17.10 C ATOM 1136 CG LEU A 71 11.367 4.375 2.019 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.330 5.574 2.029 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.586 4.187 0.708 1.00 17.51 C ATOM 0 H LEU A 71 10.938 2.379 4.329 1.00 12.71 H new ATOM 0 HA LEU A 71 11.053 1.634 1.518 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.734 3.380 3.345 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.059 3.105 1.645 1.00 17.10 H new ATOM 0 HG LEU A 71 10.552 4.516 2.729 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.782 6.483 1.779 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.771 5.678 3.020 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.120 5.412 1.295 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.978 5.071 0.516 1.00 17.51 H new ATOM 0 HD22 LEU A 71 11.286 4.042 -0.115 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.939 3.314 0.792 1.00 17.51 H new