USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -175:sc= 0.85 USER MOD Set 1.2: A 9 THR OG1 : rot -28:sc= 0.408 USER MOD Single : A 1 MET CE :methyl -145:sc=-0.00222 (180deg=-0.416) USER MOD Single : A 1 MET N :NH3+ -154:sc= 2.45 (180deg=1.98) USER MOD Single : A 2 GLN : amide:sc= -0.0734 K(o=-0.073,f=-1.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0174) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.956) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.98) USER MOD Single : A 41 GLN : amide:sc= 0.806 K(o=0.81,f=-3.9!) 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=-0.056) USER MOD Single : A 55 THR OG1 : rot -48:sc= 1.15 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= -0.0571 USER MOD Single : A 60 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.0054) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.522 -7.570 -4.547 1.00 9.67 N ATOM 2 CA MET A 1 11.414 -7.396 -3.021 1.00 10.38 C ATOM 3 C MET A 1 10.086 -7.830 -2.514 1.00 9.62 C ATOM 4 O MET A 1 9.094 -7.272 -3.003 1.00 9.62 O ATOM 5 CB MET A 1 11.679 -5.908 -2.615 1.00 13.77 C ATOM 6 CG MET A 1 11.715 -5.628 -1.075 1.00 16.29 C ATOM 7 SD MET A 1 12.096 -3.879 -0.694 1.00 17.17 S ATOM 8 CE MET A 1 10.533 -2.993 -0.861 1.00 16.11 C ATOM 0 H1 MET A 1 12.520 -7.691 -4.813 1.00 9.67 H new ATOM 0 H2 MET A 1 10.981 -8.409 -4.840 1.00 9.67 H new ATOM 0 H3 MET A 1 11.138 -6.728 -5.021 1.00 9.67 H new ATOM 0 HA MET A 1 12.175 -8.031 -2.567 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.630 -5.595 -3.046 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.906 -5.284 -3.063 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.752 -5.891 -0.638 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.462 -6.270 -0.609 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.721 -1.996 -1.260 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.877 -3.538 -1.539 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.056 -2.909 0.116 1.00 16.11 H new ATOM 20 N GLN A 2 10.038 -8.783 -1.561 1.00 9.27 N ATOM 21 CA GLN A 2 8.806 -9.247 -0.952 1.00 9.07 C ATOM 22 C GLN A 2 8.415 -8.183 0.083 1.00 8.72 C ATOM 23 O GLN A 2 9.220 -7.775 0.903 1.00 8.22 O ATOM 24 CB GLN A 2 8.989 -10.642 -0.246 1.00 14.46 C ATOM 25 CG GLN A 2 7.722 -11.071 0.470 1.00 17.01 C ATOM 26 CD GLN A 2 7.910 -12.428 1.229 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.607 -12.405 2.270 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.273 -13.516 0.733 1.00 19.49 N ATOM 0 H GLN A 2 10.871 -9.248 -1.199 1.00 9.27 H new ATOM 0 HA GLN A 2 8.037 -9.384 -1.712 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.262 -11.393 -0.987 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.811 -10.585 0.468 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.426 -10.297 1.178 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.912 -11.169 -0.253 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.726 -13.440 -0.124 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.341 -14.411 1.217 1.00 19.49 H new ATOM 37 N ILE A 3 7.177 -7.771 0.016 1.00 5.87 N ATOM 38 CA ILE A 3 6.511 -6.980 1.037 1.00 5.07 C ATOM 39 C ILE A 3 5.145 -7.566 1.255 1.00 4.01 C ATOM 40 O ILE A 3 4.669 -8.354 0.439 1.00 4.61 O ATOM 41 CB ILE A 3 6.407 -5.532 0.771 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.711 -5.250 -0.514 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.790 -4.866 0.802 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.064 -3.844 -0.639 1.00 10.83 C ATOM 0 H ILE A 3 6.574 -7.981 -0.780 1.00 5.87 H new ATOM 0 HA ILE A 3 7.139 -7.036 1.926 1.00 5.07 H new ATOM 0 HB ILE A 3 5.801 -5.102 1.568 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.426 -5.373 -1.327 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.934 -6.001 -0.656 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.685 -3.799 0.603 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.241 -5.009 1.784 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.428 -5.316 0.041 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.586 -3.749 -1.614 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.318 -3.716 0.145 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.834 -3.079 -0.536 1.00 10.83 H new ATOM 56 N PHE A 4 4.531 -7.296 2.441 1.00 4.55 N ATOM 57 CA PHE A 4 3.278 -7.779 2.800 1.00 4.68 C ATOM 58 C PHE A 4 2.410 -6.577 3.085 1.00 5.30 C ATOM 59 O PHE A 4 2.838 -5.622 3.764 1.00 5.58 O ATOM 60 CB PHE A 4 3.260 -8.670 4.089 1.00 4.83 C ATOM 61 CG PHE A 4 4.397 -9.633 4.154 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.310 -10.733 3.238 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.451 -9.570 5.058 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.282 -11.708 3.246 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.299 -10.674 5.182 1.00 10.61 C ATOM 66 CZ PHE A 4 6.201 -11.733 4.282 1.00 8.90 C ATOM 0 H PHE A 4 4.957 -6.710 3.160 1.00 4.55 H new ATOM 0 HA PHE A 4 2.934 -8.407 1.978 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.287 -8.026 4.968 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.321 -9.223 4.127 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.485 -10.796 2.544 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.612 -8.684 5.654 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.327 -12.443 2.456 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.031 -10.706 5.976 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.852 -12.587 4.394 1.00 8.90 H new ATOM 76 N VAL A 5 1.154 -6.714 2.633 1.00 4.44 N ATOM 77 CA VAL A 5 0.115 -5.763 2.720 1.00 3.87 C ATOM 78 C VAL A 5 -0.978 -6.453 3.609 1.00 4.93 C ATOM 79 O VAL A 5 -1.293 -7.615 3.325 1.00 6.84 O ATOM 80 CB VAL A 5 -0.445 -5.186 1.398 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.780 -4.420 1.496 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.690 -4.587 0.488 1.00 9.13 C ATOM 0 H VAL A 5 0.850 -7.569 2.168 1.00 4.44 H new ATOM 0 HA VAL A 5 0.514 -4.846 3.153 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.812 -6.037 0.825 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.069 -4.065 0.507 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.553 -5.084 1.883 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.663 -3.569 2.167 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.251 -4.193 -0.429 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.198 -3.783 1.021 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.408 -5.369 0.240 1.00 9.13 H new ATOM 92 N LYS A 6 -1.452 -5.786 4.656 1.00 6.04 N ATOM 93 CA LYS A 6 -2.219 -6.444 5.641 1.00 6.12 C ATOM 94 C LYS A 6 -3.477 -5.663 6.064 1.00 6.57 C ATOM 95 O LYS A 6 -3.437 -4.482 6.376 1.00 5.76 O ATOM 96 CB LYS A 6 -1.314 -6.651 6.923 1.00 7.45 C ATOM 97 CG LYS A 6 -1.879 -7.445 8.023 1.00 11.12 C ATOM 98 CD LYS A 6 -0.866 -7.494 9.216 1.00 14.54 C ATOM 99 CE LYS A 6 -1.177 -8.534 10.269 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.261 -8.593 11.437 1.00 20.55 N ATOM 0 H LYS A 6 -1.304 -4.790 4.821 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.553 -7.387 5.208 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.384 -7.125 6.607 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.054 -5.668 7.315 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.822 -7.008 8.352 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.099 -8.456 7.679 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.131 -7.685 8.820 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.838 -6.513 9.691 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.187 -8.355 10.637 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.182 -9.513 9.790 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.575 -9.341 12.087 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.704 -8.801 11.111 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.270 -7.678 11.932 1.00 20.55 H new ATOM 114 N THR A 7 -4.696 -6.296 6.070 1.00 7.41 N ATOM 115 CA THR A 7 -5.987 -5.638 6.124 1.00 7.48 C ATOM 116 C THR A 7 -6.555 -5.298 7.497 1.00 8.75 C ATOM 117 O THR A 7 -5.957 -5.639 8.507 1.00 8.58 O ATOM 118 CB THR A 7 -7.112 -6.349 5.355 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.449 -7.579 5.987 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.668 -6.589 3.909 1.00 9.17 C ATOM 0 H THR A 7 -4.776 -7.312 6.035 1.00 7.41 H new ATOM 0 HA THR A 7 -5.699 -4.707 5.636 1.00 7.48 H new ATOM 0 HB THR A 7 -8.000 -5.717 5.355 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.111 -8.056 5.443 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.465 -7.093 3.363 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.449 -5.634 3.432 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.773 -7.211 3.902 1.00 9.17 H new ATOM 128 N LEU A 8 -7.695 -4.535 7.613 1.00 9.84 N ATOM 129 CA LEU A 8 -8.283 -4.090 8.878 1.00 14.15 C ATOM 130 C LEU A 8 -8.809 -5.271 9.685 1.00 17.37 C ATOM 131 O LEU A 8 -8.631 -5.517 10.895 1.00 17.01 O ATOM 132 CB LEU A 8 -9.466 -3.151 8.679 1.00 16.63 C ATOM 133 CG LEU A 8 -9.983 -2.458 9.962 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.984 -1.527 10.587 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.291 -1.690 9.673 1.00 18.59 C ATOM 0 H LEU A 8 -8.223 -4.219 6.799 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.477 -3.572 9.398 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.182 -2.383 7.960 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.286 -3.715 8.235 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.165 -3.258 10.679 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.415 -1.078 11.481 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.087 -2.084 10.857 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.723 -0.743 9.876 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.640 -1.209 10.587 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.107 -0.932 8.911 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.050 -2.386 9.317 1.00 18.59 H new ATOM 147 N THR A 9 -9.313 -6.280 8.928 1.00 18.33 N ATOM 148 CA THR A 9 -9.573 -7.606 9.561 1.00 19.24 C ATOM 149 C THR A 9 -8.261 -8.335 9.985 1.00 19.48 C ATOM 150 O THR A 9 -8.256 -8.975 11.058 1.00 23.14 O ATOM 151 CB THR A 9 -10.332 -8.531 8.562 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.603 -8.942 7.441 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.566 -7.719 8.081 1.00 19.70 C ATOM 0 H THR A 9 -9.538 -6.214 7.935 1.00 18.33 H new ATOM 0 HA THR A 9 -10.168 -7.412 10.454 1.00 19.24 H new ATOM 0 HB THR A 9 -10.572 -9.454 9.090 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.931 -8.264 7.221 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.142 -8.317 7.374 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.192 -7.467 8.937 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.231 -6.803 7.593 1.00 19.70 H new ATOM 161 N GLY A 10 -7.158 -8.275 9.178 1.00 19.43 N ATOM 162 CA GLY A 10 -5.791 -8.763 9.483 1.00 18.74 C ATOM 163 C GLY A 10 -5.360 -9.791 8.457 1.00 17.62 C ATOM 164 O GLY A 10 -4.355 -10.487 8.604 1.00 19.74 O ATOM 0 H GLY A 10 -7.211 -7.860 8.248 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.091 -7.927 9.487 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.768 -9.202 10.480 1.00 18.74 H new ATOM 168 N LYS A 11 -6.029 -9.813 7.304 1.00 13.56 N ATOM 169 CA LYS A 11 -5.691 -10.823 6.288 1.00 11.91 C ATOM 170 C LYS A 11 -4.579 -10.305 5.307 1.00 10.18 C ATOM 171 O LYS A 11 -4.683 -9.174 4.806 1.00 9.10 O ATOM 172 CB LYS A 11 -7.003 -11.348 5.560 1.00 13.43 C ATOM 173 CG LYS A 11 -6.922 -12.332 4.454 1.00 16.69 C ATOM 174 CD LYS A 11 -8.333 -12.417 3.741 1.00 17.92 C ATOM 175 CE LYS A 11 -8.332 -12.707 2.238 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.497 -13.939 1.967 1.00 21.93 N ATOM 0 H LYS A 11 -6.781 -9.172 7.051 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.253 -11.689 6.784 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.642 -11.784 6.328 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.524 -10.473 5.171 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.155 -12.034 3.739 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.635 -13.310 4.840 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.917 -13.193 4.236 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.853 -11.473 3.904 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -9.352 -12.860 1.885 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.930 -11.854 1.692 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.563 -14.188 0.959 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.505 -13.747 2.212 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.849 -14.730 2.543 1.00 21.93 H new ATOM 190 N THR A 12 -3.531 -11.068 5.071 1.00 9.63 N ATOM 191 CA THR A 12 -2.257 -10.678 4.505 1.00 9.85 C ATOM 192 C THR A 12 -2.120 -11.031 3.052 1.00 11.66 C ATOM 193 O THR A 12 -2.325 -12.152 2.619 1.00 12.33 O ATOM 194 CB THR A 12 -1.063 -11.309 5.306 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.222 -11.318 6.743 1.00 10.91 O ATOM 196 CG2 THR A 12 0.231 -10.449 5.033 1.00 9.63 C ATOM 0 H THR A 12 -3.552 -12.064 5.290 1.00 9.63 H new ATOM 0 HA THR A 12 -2.223 -9.591 4.585 1.00 9.85 H new ATOM 0 HB THR A 12 -1.008 -12.343 4.965 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.434 -11.729 7.157 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.072 -10.873 5.582 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.454 -10.456 3.966 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.063 -9.424 5.362 1.00 9.63 H new ATOM 204 N ILE A 13 -1.642 -10.084 2.250 1.00 10.42 N ATOM 205 CA ILE A 13 -1.411 -10.167 0.888 1.00 11.84 C ATOM 206 C ILE A 13 0.125 -10.136 0.705 1.00 10.55 C ATOM 207 O ILE A 13 0.791 -9.262 1.301 1.00 11.92 O ATOM 208 CB ILE A 13 -2.062 -8.965 0.183 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.552 -8.788 0.526 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.633 -8.871 -1.279 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.114 -7.351 0.551 1.00 16.46 C ATOM 0 H ILE A 13 -1.396 -9.164 2.616 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.835 -11.075 0.459 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.660 -8.043 0.604 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.133 -9.363 -0.195 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.727 -9.234 1.505 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.113 -8.010 -1.744 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.550 -8.757 -1.334 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.929 -9.779 -1.804 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.173 -7.379 0.807 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.577 -6.763 1.295 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.990 -6.895 -0.431 1.00 16.46 H new ATOM 223 N THR A 14 0.670 -11.027 -0.148 1.00 9.39 N ATOM 224 CA THR A 14 2.090 -10.949 -0.620 1.00 9.63 C ATOM 225 C THR A 14 2.214 -10.040 -1.853 1.00 11.20 C ATOM 226 O THR A 14 1.500 -10.259 -2.830 1.00 11.63 O ATOM 227 CB THR A 14 2.800 -12.252 -0.898 1.00 10.38 C ATOM 228 OG1 THR A 14 2.544 -13.167 0.155 1.00 16.30 O ATOM 229 CG2 THR A 14 4.306 -12.006 -0.814 1.00 11.66 C ATOM 0 H THR A 14 0.154 -11.818 -0.533 1.00 9.39 H new ATOM 0 HA THR A 14 2.602 -10.531 0.247 1.00 9.63 H new ATOM 0 HB THR A 14 2.470 -12.626 -1.867 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.004 -14.013 -0.028 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.838 -12.936 -1.012 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.594 -11.259 -1.553 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.561 -11.647 0.183 1.00 11.66 H new ATOM 237 N LEU A 15 3.123 -9.056 -1.835 1.00 8.29 N ATOM 238 CA LEU A 15 3.412 -8.291 -3.013 1.00 9.03 C ATOM 239 C LEU A 15 4.865 -8.459 -3.298 1.00 8.59 C ATOM 240 O LEU A 15 5.741 -8.324 -2.434 1.00 7.79 O ATOM 241 CB LEU A 15 3.108 -6.773 -2.978 1.00 11.08 C ATOM 242 CG LEU A 15 1.596 -6.396 -2.851 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.580 -4.899 -2.976 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.616 -6.991 -3.878 1.00 15.27 C ATOM 0 H LEU A 15 3.659 -8.786 -1.011 1.00 8.29 H new ATOM 0 HA LEU A 15 2.738 -8.681 -3.775 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.647 -6.331 -2.140 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.503 -6.319 -3.887 1.00 11.08 H new ATOM 0 HG LEU A 15 1.235 -6.813 -1.911 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.554 -4.538 -2.899 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.180 -4.461 -2.178 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.994 -4.610 -3.942 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.394 -6.641 -3.663 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.904 -6.675 -4.881 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.643 -8.079 -3.819 1.00 15.27 H new ATOM 256 N GLU A 16 5.213 -8.558 -4.579 1.00 11.04 N ATOM 257 CA GLU A 16 6.570 -8.700 -5.010 1.00 11.50 C ATOM 258 C GLU A 16 6.719 -7.431 -5.858 1.00 10.13 C ATOM 259 O GLU A 16 5.997 -7.183 -6.795 1.00 9.83 O ATOM 260 CB GLU A 16 6.724 -9.901 -5.958 1.00 17.22 C ATOM 261 CG GLU A 16 8.039 -10.156 -6.682 1.00 23.33 C ATOM 262 CD GLU A 16 9.266 -10.192 -5.706 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.269 -10.972 -4.658 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.283 -9.529 -5.995 1.00 28.90 O ATOM 0 H GLU A 16 4.539 -8.540 -5.344 1.00 11.04 H new ATOM 0 HA GLU A 16 7.277 -8.837 -4.192 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.497 -10.797 -5.380 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.951 -9.809 -6.721 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.977 -11.103 -7.218 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.196 -9.377 -7.429 1.00 23.33 H new ATOM 271 N VAL A 17 7.519 -6.524 -5.328 1.00 8.99 N ATOM 272 CA VAL A 17 7.623 -5.143 -5.781 1.00 8.85 C ATOM 273 C VAL A 17 9.112 -4.881 -6.007 1.00 8.04 C ATOM 274 O VAL A 17 10.001 -5.579 -5.622 1.00 8.99 O ATOM 275 CB VAL A 17 7.090 -4.143 -4.762 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.608 -4.439 -4.483 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.899 -4.206 -3.489 1.00 10.54 C ATOM 0 H VAL A 17 8.137 -6.733 -4.543 1.00 8.99 H new ATOM 0 HA VAL A 17 7.024 -5.013 -6.682 1.00 8.85 H new ATOM 0 HB VAL A 17 7.179 -3.134 -5.165 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.225 -3.725 -3.754 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.039 -4.353 -5.409 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.507 -5.450 -4.088 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.505 -3.486 -2.772 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.836 -5.209 -3.067 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.940 -3.969 -3.707 1.00 10.54 H new ATOM 287 N GLU A 18 9.362 -3.712 -6.601 1.00 7.29 N ATOM 288 CA GLU A 18 10.680 -3.136 -6.528 1.00 7.08 C ATOM 289 C GLU A 18 10.556 -1.993 -5.461 1.00 6.45 C ATOM 290 O GLU A 18 9.455 -1.459 -5.165 1.00 5.28 O ATOM 291 CB GLU A 18 11.064 -2.492 -7.960 1.00 10.28 C ATOM 292 CG GLU A 18 11.299 -3.622 -9.022 1.00 12.65 C ATOM 293 CD GLU A 18 12.312 -4.745 -8.666 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.446 -4.520 -8.182 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.928 -5.947 -8.805 1.00 14.33 O ATOM 0 H GLU A 18 8.677 -3.166 -7.124 1.00 7.29 H new ATOM 0 HA GLU A 18 11.443 -3.870 -6.269 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.265 -1.830 -8.294 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.963 -1.883 -7.863 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.338 -4.091 -9.232 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.632 -3.150 -9.946 1.00 12.65 H new ATOM 302 N PRO A 19 11.634 -1.561 -4.818 1.00 7.24 N ATOM 303 CA PRO A 19 11.572 -0.479 -3.849 1.00 7.07 C ATOM 304 C PRO A 19 11.292 0.869 -4.581 1.00 6.65 C ATOM 305 O PRO A 19 10.914 1.826 -3.905 1.00 6.37 O ATOM 306 CB PRO A 19 12.928 -0.507 -3.187 1.00 7.61 C ATOM 307 CG PRO A 19 13.881 -1.116 -4.245 1.00 8.16 C ATOM 308 CD PRO A 19 12.945 -2.096 -5.063 1.00 7.49 C ATOM 0 HA PRO A 19 10.772 -0.586 -3.116 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.247 0.495 -2.899 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.911 -1.109 -2.279 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.314 -0.347 -4.885 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.710 -1.648 -3.779 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.190 -2.097 -6.125 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.034 -3.125 -4.715 1.00 7.49 H new ATOM 316 N SER A 20 11.467 0.974 -5.953 1.00 6.80 N ATOM 317 CA SER A 20 11.329 2.128 -6.787 1.00 6.28 C ATOM 318 C SER A 20 10.014 2.197 -7.465 1.00 8.45 C ATOM 319 O SER A 20 9.722 3.140 -8.240 1.00 7.26 O ATOM 320 CB SER A 20 12.363 2.069 -7.878 1.00 8.57 C ATOM 321 OG SER A 20 12.174 0.889 -8.648 1.00 11.13 O ATOM 0 H SER A 20 11.730 0.155 -6.502 1.00 6.80 H new ATOM 0 HA SER A 20 11.442 2.995 -6.136 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.284 2.949 -8.516 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.364 2.078 -7.446 1.00 8.57 H new ATOM 0 HG SER A 20 12.847 0.852 -9.360 1.00 11.13 H new ATOM 327 N ASP A 21 9.140 1.218 -7.061 1.00 7.50 N ATOM 328 CA ASP A 21 7.719 1.143 -7.545 1.00 7.70 C ATOM 329 C ASP A 21 6.921 2.271 -6.834 1.00 7.08 C ATOM 330 O ASP A 21 7.128 2.466 -5.644 1.00 8.11 O ATOM 331 CB ASP A 21 6.981 -0.234 -7.325 1.00 11.00 C ATOM 332 CG ASP A 21 7.360 -1.231 -8.416 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.509 -0.765 -9.590 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.340 -2.489 -8.139 1.00 18.03 O ATOM 0 H ASP A 21 9.392 0.477 -6.407 1.00 7.50 H new ATOM 0 HA ASP A 21 7.761 1.257 -8.628 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.243 -0.640 -6.348 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.902 -0.078 -7.327 1.00 11.00 H new ATOM 339 N THR A 22 6.028 3.027 -7.485 1.00 5.37 N ATOM 340 CA THR A 22 5.258 4.076 -6.804 1.00 6.01 C ATOM 341 C THR A 22 4.129 3.566 -5.913 1.00 8.01 C ATOM 342 O THR A 22 3.669 2.454 -6.051 1.00 8.11 O ATOM 343 CB THR A 22 4.872 5.235 -7.640 1.00 8.92 C ATOM 344 OG1 THR A 22 3.828 4.880 -8.522 1.00 10.22 O ATOM 345 CG2 THR A 22 6.039 5.766 -8.480 1.00 9.65 C ATOM 0 H THR A 22 5.821 2.933 -8.479 1.00 5.37 H new ATOM 0 HA THR A 22 5.996 4.487 -6.115 1.00 6.01 H new ATOM 0 HB THR A 22 4.551 6.016 -6.950 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.582 5.656 -9.067 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.703 6.615 -9.074 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.848 6.082 -7.821 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.398 4.979 -9.143 1.00 9.65 H new ATOM 353 N ILE A 23 3.637 4.355 -4.961 1.00 8.32 N ATOM 354 CA ILE A 23 2.539 3.950 -4.128 1.00 9.92 C ATOM 355 C ILE A 23 1.237 3.972 -4.881 1.00 10.01 C ATOM 356 O ILE A 23 0.355 3.139 -4.636 1.00 8.71 O ATOM 357 CB ILE A 23 2.420 4.734 -2.889 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.793 4.966 -2.181 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.376 4.186 -1.874 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.487 3.722 -1.610 1.00 12.30 C ATOM 0 H ILE A 23 3.996 5.288 -4.756 1.00 8.32 H new ATOM 0 HA ILE A 23 2.764 2.925 -3.834 1.00 9.92 H new ATOM 0 HB ILE A 23 2.043 5.697 -3.233 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.469 5.437 -2.894 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.642 5.676 -1.368 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.356 4.826 -0.992 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.389 4.175 -2.337 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.650 3.173 -1.581 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.429 4.012 -1.145 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.843 3.256 -0.865 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.683 3.013 -2.415 1.00 12.30 H new ATOM 372 N GLU A 24 1.107 4.748 -5.965 1.00 9.54 N ATOM 373 CA GLU A 24 0.070 4.513 -6.983 1.00 11.81 C ATOM 374 C GLU A 24 0.215 3.093 -7.679 1.00 11.14 C ATOM 375 O GLU A 24 -0.736 2.288 -7.733 1.00 10.62 O ATOM 376 CB GLU A 24 0.345 5.569 -8.093 1.00 19.24 C ATOM 377 CG GLU A 24 -0.749 5.657 -9.136 1.00 27.76 C ATOM 378 CD GLU A 24 -0.376 6.544 -10.299 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.359 6.009 -11.183 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.835 7.758 -10.315 1.00 36.51 O ATOM 0 H GLU A 24 1.709 5.548 -6.162 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.914 4.570 -6.518 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.471 6.547 -7.628 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.286 5.327 -8.587 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.974 4.657 -9.505 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.658 6.038 -8.671 1.00 27.76 H new ATOM 387 N ASN A 25 1.424 2.748 -8.074 1.00 9.43 N ATOM 388 CA ASN A 25 1.714 1.468 -8.649 1.00 10.96 C ATOM 389 C ASN A 25 1.439 0.302 -7.640 1.00 9.68 C ATOM 390 O ASN A 25 0.917 -0.754 -8.030 1.00 9.33 O ATOM 391 CB ASN A 25 3.194 1.394 -9.186 1.00 16.78 C ATOM 392 CG ASN A 25 3.301 0.337 -10.240 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.570 -0.852 -9.967 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.050 0.716 -11.488 1.00 24.70 N ATOM 0 H ASN A 25 2.235 3.362 -8.000 1.00 9.43 H new ATOM 0 HA ASN A 25 1.039 1.345 -9.496 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.490 2.360 -9.596 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.877 1.173 -8.366 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.075 0.031 -12.244 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.832 1.692 -11.691 1.00 24.70 H new ATOM 401 N VAL A 26 1.786 0.527 -6.388 1.00 6.52 N ATOM 402 CA VAL A 26 1.554 -0.363 -5.273 1.00 5.53 C ATOM 403 C VAL A 26 0.000 -0.557 -4.989 1.00 4.42 C ATOM 404 O VAL A 26 -0.401 -1.702 -4.784 1.00 3.40 O ATOM 405 CB VAL A 26 2.336 -0.022 -3.980 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.888 -0.885 -2.825 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.860 -0.238 -4.301 1.00 8.12 C ATOM 0 H VAL A 26 2.264 1.384 -6.109 1.00 6.52 H new ATOM 0 HA VAL A 26 1.970 -1.317 -5.596 1.00 5.53 H new ATOM 0 HB VAL A 26 2.150 1.008 -3.676 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.455 -0.622 -1.932 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.826 -0.723 -2.641 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.059 -1.934 -3.067 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.454 -0.009 -3.416 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.027 -1.275 -4.592 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.157 0.420 -5.118 1.00 8.12 H new ATOM 417 N LYS A 27 -0.806 0.481 -5.066 1.00 2.64 N ATOM 418 CA LYS A 27 -2.276 0.430 -4.899 1.00 4.14 C ATOM 419 C LYS A 27 -2.971 -0.159 -6.181 1.00 5.58 C ATOM 420 O LYS A 27 -4.041 -0.728 -6.026 1.00 4.11 O ATOM 421 CB LYS A 27 -2.874 1.802 -4.596 1.00 3.97 C ATOM 422 CG LYS A 27 -2.490 2.226 -3.192 1.00 7.45 C ATOM 423 CD LYS A 27 -3.055 3.593 -2.806 1.00 9.02 C ATOM 424 CE LYS A 27 -2.365 4.752 -3.531 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.255 5.897 -3.395 1.00 15.47 N ATOM 0 H LYS A 27 -0.462 1.423 -5.252 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.462 -0.223 -4.046 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.514 2.534 -5.319 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.959 1.766 -4.692 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.845 1.479 -2.483 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.403 2.252 -3.110 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.122 3.615 -3.029 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.952 3.732 -1.730 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.390 4.962 -3.092 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.197 4.511 -4.581 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.691 6.768 -3.319 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.874 5.957 -4.229 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.836 5.785 -2.540 1.00 15.47 H new ATOM 439 N ALA A 28 -2.320 -0.094 -7.348 1.00 6.61 N ATOM 440 CA ALA A 28 -2.720 -0.828 -8.475 1.00 7.74 C ATOM 441 C ALA A 28 -2.551 -2.342 -8.390 1.00 9.17 C ATOM 442 O ALA A 28 -3.415 -3.069 -8.738 1.00 11.45 O ATOM 443 CB ALA A 28 -2.049 -0.144 -9.676 1.00 7.68 C ATOM 0 H ALA A 28 -1.496 0.487 -7.502 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.805 -0.797 -8.576 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.320 -0.669 -10.592 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.383 0.892 -9.738 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.967 -0.169 -9.551 1.00 7.68 H new ATOM 449 N LYS A 29 -1.404 -2.772 -7.819 1.00 8.96 N ATOM 450 CA LYS A 29 -1.099 -4.123 -7.557 1.00 7.90 C ATOM 451 C LYS A 29 -2.177 -4.735 -6.614 1.00 6.92 C ATOM 452 O LYS A 29 -2.596 -5.874 -6.817 1.00 6.87 O ATOM 453 CB LYS A 29 0.294 -4.251 -7.016 1.00 10.28 C ATOM 454 CG LYS A 29 1.445 -4.102 -8.066 1.00 14.94 C ATOM 455 CD LYS A 29 2.819 -4.404 -7.475 1.00 19.69 C ATOM 456 CE LYS A 29 4.029 -3.877 -8.245 1.00 22.63 C ATOM 457 NZ LYS A 29 4.189 -4.448 -9.555 1.00 24.98 N ATOM 0 H LYS A 29 -0.663 -2.133 -7.532 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.123 -4.694 -8.485 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.434 -3.497 -6.241 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.389 -5.224 -6.535 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.258 -4.774 -8.903 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.440 -3.087 -8.464 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.853 -3.993 -6.466 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.919 -5.485 -7.383 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.941 -2.795 -8.341 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.929 -4.073 -7.663 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.030 -4.040 -10.011 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.305 -5.478 -9.473 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.348 -4.239 -10.130 1.00 24.98 H new ATOM 471 N ILE A 30 -2.555 -4.006 -5.591 1.00 4.57 N ATOM 472 CA ILE A 30 -3.555 -4.443 -4.635 1.00 5.58 C ATOM 473 C ILE A 30 -4.912 -4.510 -5.240 1.00 7.26 C ATOM 474 O ILE A 30 -5.795 -5.229 -4.831 1.00 9.46 O ATOM 475 CB ILE A 30 -3.486 -3.398 -3.452 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.227 -3.510 -2.613 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.695 -3.541 -2.559 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.968 -2.293 -1.678 1.00 2.00 C ATOM 0 H ILE A 30 -2.174 -3.081 -5.393 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.357 -5.456 -4.285 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.469 -2.414 -3.921 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.289 -4.413 -2.006 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.372 -3.631 -3.278 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.636 -2.816 -1.748 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.600 -3.363 -3.140 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.723 -4.548 -2.144 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.049 -2.456 -1.115 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.871 -1.388 -2.277 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.803 -2.182 -0.986 1.00 2.00 H new ATOM 490 N GLN A 31 -5.137 -3.753 -6.385 1.00 7.06 N ATOM 491 CA GLN A 31 -6.517 -3.777 -6.932 1.00 8.67 C ATOM 492 C GLN A 31 -6.713 -5.061 -7.759 1.00 10.90 C ATOM 493 O GLN A 31 -7.774 -5.717 -7.692 1.00 9.63 O ATOM 494 CB GLN A 31 -6.839 -2.640 -7.943 1.00 9.12 C ATOM 495 CG GLN A 31 -8.106 -2.869 -8.752 1.00 10.76 C ATOM 496 CD GLN A 31 -8.621 -1.587 -9.413 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.639 -1.087 -9.011 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.921 -1.042 -10.450 1.00 14.76 N ATOM 0 H GLN A 31 -4.452 -3.186 -6.884 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.156 -3.684 -6.054 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.933 -1.700 -7.399 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.998 -2.529 -8.628 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.912 -3.617 -9.521 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.880 -3.274 -8.101 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.061 -1.484 -10.773 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.258 -0.192 -10.902 1.00 14.76 H new ATOM 507 N ASP A 32 -5.711 -5.539 -8.464 1.00 10.93 N ATOM 508 CA ASP A 32 -5.550 -6.905 -9.085 1.00 14.01 C ATOM 509 C ASP A 32 -5.654 -8.066 -8.093 1.00 14.04 C ATOM 510 O ASP A 32 -6.285 -9.114 -8.438 1.00 13.39 O ATOM 511 CB ASP A 32 -4.099 -6.974 -9.667 1.00 18.01 C ATOM 512 CG ASP A 32 -3.803 -5.977 -10.758 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.781 -5.339 -11.318 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.619 -5.707 -11.143 1.00 25.17 O ATOM 0 H ASP A 32 -4.896 -4.956 -8.655 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.351 -7.014 -9.817 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.390 -6.821 -8.854 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.927 -7.978 -10.056 1.00 18.01 H new ATOM 519 N LYS A 33 -5.026 -7.936 -6.891 1.00 14.22 N ATOM 520 CA LYS A 33 -5.158 -8.883 -5.804 1.00 14.00 C ATOM 521 C LYS A 33 -6.527 -8.835 -5.103 1.00 12.37 C ATOM 522 O LYS A 33 -7.163 -9.922 -4.927 1.00 12.17 O ATOM 523 CB LYS A 33 -4.108 -8.679 -4.682 1.00 18.62 C ATOM 524 CG LYS A 33 -2.597 -8.745 -5.214 1.00 24.00 C ATOM 525 CD LYS A 33 -2.106 -10.232 -5.381 1.00 27.61 C ATOM 526 CE LYS A 33 -0.602 -10.283 -5.832 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.166 -11.658 -5.866 1.00 30.06 N ATOM 0 H LYS A 33 -4.411 -7.152 -6.671 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.016 -9.840 -6.306 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.277 -7.713 -4.206 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.251 -9.441 -3.916 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.524 -8.228 -6.171 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.942 -8.221 -4.518 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.224 -10.766 -4.438 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.727 -10.743 -6.117 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.489 -9.828 -6.816 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.017 -9.709 -5.142 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.830 -11.699 -6.164 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.261 -12.076 -4.918 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.751 -12.191 -6.540 1.00 30.06 H new ATOM 541 N GLU A 34 -7.059 -7.695 -4.686 1.00 10.11 N ATOM 542 CA GLU A 34 -8.234 -7.606 -3.763 1.00 10.07 C ATOM 543 C GLU A 34 -9.398 -6.832 -4.371 1.00 9.32 C ATOM 544 O GLU A 34 -10.442 -6.688 -3.681 1.00 11.61 O ATOM 545 CB GLU A 34 -7.805 -6.855 -2.509 1.00 14.77 C ATOM 546 CG GLU A 34 -6.711 -7.643 -1.678 1.00 18.75 C ATOM 547 CD GLU A 34 -7.451 -8.842 -1.066 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.521 -8.625 -0.426 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.955 -9.977 -1.278 1.00 25.19 O ATOM 0 H GLU A 34 -6.700 -6.783 -4.969 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.562 -8.624 -3.555 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.410 -5.879 -2.791 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.677 -6.677 -1.879 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.892 -7.971 -2.318 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.276 -7.012 -0.903 1.00 18.75 H new ATOM 556 N GLY A 35 -9.401 -6.227 -5.539 1.00 7.22 N ATOM 557 CA GLY A 35 -10.566 -5.730 -6.215 1.00 6.29 C ATOM 558 C GLY A 35 -11.009 -4.389 -5.754 1.00 6.93 C ATOM 559 O GLY A 35 -12.027 -3.873 -6.114 1.00 7.41 O ATOM 0 H GLY A 35 -8.543 -6.063 -6.065 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.361 -5.685 -7.285 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.383 -6.438 -6.077 1.00 6.29 H new ATOM 563 N ILE A 36 -10.219 -3.770 -4.938 1.00 5.86 N ATOM 564 CA ILE A 36 -10.511 -2.497 -4.268 1.00 6.07 C ATOM 565 C ILE A 36 -10.022 -1.341 -5.119 1.00 6.36 C ATOM 566 O ILE A 36 -8.889 -1.379 -5.541 1.00 6.18 O ATOM 567 CB ILE A 36 -9.746 -2.337 -2.896 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.885 -3.520 -1.926 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.187 -1.056 -2.188 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.602 -3.704 -1.075 1.00 9.49 C ATOM 0 H ILE A 36 -9.300 -4.139 -4.693 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.589 -2.493 -4.109 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.692 -2.296 -3.171 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.739 -3.356 -1.269 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.085 -4.432 -2.488 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.651 -0.959 -1.244 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.966 -0.196 -2.820 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.259 -1.098 -1.994 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.732 -4.549 -0.399 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.753 -3.893 -1.732 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.417 -2.800 -0.495 1.00 9.49 H new ATOM 582 N PRO A 37 -10.831 -0.261 -5.454 1.00 8.65 N ATOM 583 CA PRO A 37 -10.393 1.000 -6.044 1.00 9.18 C ATOM 584 C PRO A 37 -9.245 1.644 -5.343 1.00 9.85 C ATOM 585 O PRO A 37 -9.386 1.817 -4.144 1.00 8.51 O ATOM 586 CB PRO A 37 -11.633 1.840 -5.939 1.00 11.42 C ATOM 587 CG PRO A 37 -12.761 0.823 -6.089 1.00 9.27 C ATOM 588 CD PRO A 37 -12.274 -0.410 -5.364 1.00 8.33 C ATOM 0 HA PRO A 37 -10.011 0.864 -7.056 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.686 2.361 -4.983 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.671 2.600 -6.719 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.689 1.196 -5.655 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.963 0.610 -7.139 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.618 -0.438 -4.330 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.620 -1.327 -5.840 1.00 8.33 H new ATOM 596 N PRO A 38 -8.178 2.023 -6.001 1.00 8.71 N ATOM 597 CA PRO A 38 -7.029 2.686 -5.410 1.00 9.08 C ATOM 598 C PRO A 38 -7.273 3.936 -4.577 1.00 9.28 C ATOM 599 O PRO A 38 -6.489 4.239 -3.674 1.00 6.50 O ATOM 600 CB PRO A 38 -6.048 2.978 -6.550 1.00 10.31 C ATOM 601 CG PRO A 38 -6.365 1.927 -7.602 1.00 10.81 C ATOM 602 CD PRO A 38 -7.887 1.682 -7.402 1.00 12.00 C ATOM 0 HA PRO A 38 -6.642 1.996 -4.660 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.184 3.986 -6.942 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.014 2.903 -6.213 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.142 2.282 -8.608 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.786 1.016 -7.450 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.473 2.300 -8.083 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.145 0.644 -7.611 1.00 12.00 H new ATOM 610 N ASP A 39 -8.411 4.656 -4.817 1.00 11.20 N ATOM 611 CA ASP A 39 -8.654 5.807 -4.020 1.00 14.96 C ATOM 612 C ASP A 39 -9.504 5.532 -2.813 1.00 13.99 C ATOM 613 O ASP A 39 -9.793 6.391 -1.993 1.00 13.75 O ATOM 614 CB ASP A 39 -9.433 6.921 -4.777 1.00 24.16 C ATOM 615 CG ASP A 39 -8.828 7.250 -6.104 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.591 7.532 -6.144 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.539 7.245 -7.103 1.00 34.22 O ATOM 0 H ASP A 39 -9.114 4.443 -5.525 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.646 6.119 -3.746 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.465 6.602 -4.922 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.461 7.821 -4.162 1.00 24.16 H new ATOM 622 N GLN A 40 -9.918 4.237 -2.612 1.00 11.60 N ATOM 623 CA GLN A 40 -10.483 3.752 -1.342 1.00 10.76 C ATOM 624 C GLN A 40 -9.443 2.941 -0.592 1.00 8.01 C ATOM 625 O GLN A 40 -9.743 2.278 0.369 1.00 8.96 O ATOM 626 CB GLN A 40 -11.720 2.860 -1.610 1.00 11.14 C ATOM 627 CG GLN A 40 -12.837 3.568 -2.439 1.00 14.85 C ATOM 628 CD GLN A 40 -14.184 2.693 -2.472 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.432 2.016 -1.497 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.850 2.578 -3.603 1.00 18.16 N ATOM 0 H GLN A 40 -9.862 3.518 -3.333 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.781 4.614 -0.745 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.401 1.962 -2.139 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.137 2.537 -0.656 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.047 4.547 -2.008 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.486 3.737 -3.457 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.608 3.168 -4.399 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.607 1.899 -3.682 1.00 18.16 H new ATOM 639 N GLN A 41 -8.165 2.956 -1.021 1.00 6.52 N ATOM 640 CA GLN A 41 -7.136 2.229 -0.354 1.00 3.87 C ATOM 641 C GLN A 41 -6.179 3.089 0.400 1.00 4.79 C ATOM 642 O GLN A 41 -5.351 3.782 -0.184 1.00 6.34 O ATOM 643 CB GLN A 41 -6.294 1.518 -1.371 1.00 4.20 C ATOM 644 CG GLN A 41 -6.907 0.431 -2.243 1.00 3.20 C ATOM 645 CD GLN A 41 -5.870 -0.149 -3.240 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.704 -0.236 -2.917 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.316 -0.485 -4.479 1.00 7.13 N ATOM 0 H GLN A 41 -7.847 3.478 -1.838 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.656 1.567 0.338 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.884 2.276 -2.039 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.453 1.072 -0.840 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.293 -0.369 -1.611 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.754 0.839 -2.794 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.306 -0.396 -4.706 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.660 -0.827 -5.182 1.00 7.13 H new ATOM 656 N ARG A 42 -6.180 3.004 1.780 1.00 5.73 N ATOM 657 CA ARG A 42 -5.214 3.790 2.523 1.00 6.97 C ATOM 658 C ARG A 42 -4.199 2.852 3.174 1.00 7.15 C ATOM 659 O ARG A 42 -4.583 2.030 3.973 1.00 7.33 O ATOM 660 CB ARG A 42 -5.818 4.822 3.505 1.00 13.23 C ATOM 661 CG ARG A 42 -4.724 5.557 4.346 1.00 21.27 C ATOM 662 CD ARG A 42 -5.333 6.658 5.261 1.00 26.14 C ATOM 663 NE ARG A 42 -5.741 7.885 4.505 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.792 8.654 4.718 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.813 8.291 5.429 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.775 9.849 4.147 1.00 36.39 N ATOM 0 H ARG A 42 -6.810 2.428 2.338 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.701 4.430 1.805 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.396 5.557 2.945 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.511 4.317 4.178 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.190 4.831 4.959 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -3.993 6.007 3.675 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.201 6.252 5.781 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.605 6.933 6.024 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.134 8.159 3.733 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.832 7.366 5.859 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.597 8.930 5.558 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.977 10.131 3.578 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.560 10.487 4.276 1.00 36.39 H new ATOM 680 N LEU A 43 -2.925 3.006 2.789 1.00 4.65 N ATOM 681 CA LEU A 43 -1.873 2.251 3.497 1.00 3.51 C ATOM 682 C LEU A 43 -1.195 3.067 4.511 1.00 5.56 C ATOM 683 O LEU A 43 -0.656 4.219 4.275 1.00 4.19 O ATOM 684 CB LEU A 43 -0.783 1.871 2.460 1.00 3.74 C ATOM 685 CG LEU A 43 -1.303 0.984 1.333 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.260 0.728 0.276 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.767 -0.398 1.913 1.00 6.41 C ATOM 0 H LEU A 43 -2.605 3.611 2.033 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.345 1.392 3.974 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.365 2.782 2.032 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.031 1.357 2.971 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.137 1.515 0.873 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.680 0.092 -0.503 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.056 1.676 -0.160 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.600 0.231 0.726 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.137 -1.027 1.103 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.924 -0.890 2.398 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.562 -0.238 2.641 1.00 6.41 H new ATOM 699 N ILE A 44 -1.057 2.565 5.733 1.00 4.58 N ATOM 700 CA ILE A 44 -0.484 3.155 6.886 1.00 5.55 C ATOM 701 C ILE A 44 0.838 2.466 7.057 1.00 5.46 C ATOM 702 O ILE A 44 0.910 1.214 6.976 1.00 6.04 O ATOM 703 CB ILE A 44 -1.310 2.951 8.109 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.780 3.375 7.863 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.611 3.662 9.279 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.932 4.872 7.566 1.00 13.90 C ATOM 0 H ILE A 44 -1.391 1.623 5.937 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.401 4.234 6.757 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.383 1.896 8.373 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.182 2.802 7.027 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.377 3.122 8.740 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.197 3.528 10.188 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.383 3.237 9.421 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.523 4.726 9.058 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.984 5.106 7.403 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.559 5.450 8.411 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.361 5.125 6.673 1.00 13.90 H new ATOM 718 N PHE A 45 1.912 3.239 7.266 1.00 6.75 N ATOM 719 CA PHE A 45 3.210 2.666 7.516 1.00 4.70 C ATOM 720 C PHE A 45 3.970 3.705 8.273 1.00 6.34 C ATOM 721 O PHE A 45 4.258 4.827 7.757 1.00 5.45 O ATOM 722 CB PHE A 45 3.907 2.288 6.213 1.00 5.51 C ATOM 723 CG PHE A 45 5.224 1.580 6.391 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.424 2.288 6.634 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.278 0.117 6.433 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.645 1.566 6.963 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.441 -0.494 6.895 1.00 6.68 C ATOM 728 CZ PHE A 45 7.623 0.220 7.069 1.00 6.84 C ATOM 0 H PHE A 45 1.892 4.259 7.264 1.00 6.75 H new ATOM 0 HA PHE A 45 3.139 1.740 8.086 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.242 1.650 5.632 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.072 3.193 5.628 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.435 3.366 6.575 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.434 -0.475 6.112 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.567 2.106 7.122 1.00 6.64 H new ATOM 0 HE2 PHE A 45 6.425 -1.549 7.124 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.537 -0.311 7.292 1.00 6.84 H new ATOM 738 N ALA A 46 4.389 3.329 9.510 1.00 6.53 N ATOM 739 CA ALA A 46 5.161 4.177 10.427 1.00 7.15 C ATOM 740 C ALA A 46 4.579 5.533 10.667 1.00 9.00 C ATOM 741 O ALA A 46 5.239 6.552 10.533 1.00 11.15 O ATOM 742 CB ALA A 46 6.636 4.165 10.009 1.00 8.99 C ATOM 0 H ALA A 46 4.190 2.406 9.896 1.00 6.53 H new ATOM 0 HA ALA A 46 5.097 3.742 11.424 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.212 4.794 10.688 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.017 3.145 10.048 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.729 4.548 8.993 1.00 8.99 H new ATOM 748 N GLY A 47 3.271 5.628 11.003 1.00 9.35 N ATOM 749 CA GLY A 47 2.633 6.889 11.296 1.00 11.68 C ATOM 750 C GLY A 47 2.254 7.745 10.028 1.00 11.14 C ATOM 751 O GLY A 47 1.849 8.880 10.141 1.00 13.93 O ATOM 0 H GLY A 47 2.648 4.823 11.073 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.728 6.698 11.872 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.296 7.478 11.930 1.00 11.68 H new ATOM 755 N LYS A 48 2.440 7.195 8.817 1.00 10.47 N ATOM 756 CA LYS A 48 2.308 7.913 7.535 1.00 8.82 C ATOM 757 C LYS A 48 1.190 7.206 6.708 1.00 7.68 C ATOM 758 O LYS A 48 1.114 5.978 6.743 1.00 6.47 O ATOM 759 CB LYS A 48 3.636 7.989 6.731 1.00 9.74 C ATOM 760 CG LYS A 48 4.818 8.634 7.486 1.00 14.14 C ATOM 761 CD LYS A 48 4.618 10.189 7.538 1.00 16.32 C ATOM 762 CE LYS A 48 5.839 10.907 8.177 1.00 20.04 C ATOM 763 NZ LYS A 48 5.822 12.359 7.919 1.00 23.92 N ATOM 0 H LYS A 48 2.693 6.214 8.697 1.00 10.47 H new ATOM 0 HA LYS A 48 2.044 8.950 7.743 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.921 6.980 6.433 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.458 8.553 5.816 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.882 8.231 8.497 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.757 8.394 6.987 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.460 10.569 6.529 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.720 10.421 8.110 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.842 10.730 9.252 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.760 10.479 7.781 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.653 12.800 8.362 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.845 12.530 6.893 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.956 12.773 8.319 1.00 23.92 H new ATOM 777 N GLN A 49 0.359 8.064 6.044 1.00 8.89 N ATOM 778 CA GLN A 49 -0.810 7.695 5.265 1.00 7.18 C ATOM 779 C GLN A 49 -0.360 7.710 3.814 1.00 8.23 C ATOM 780 O GLN A 49 -1.094 7.549 2.862 1.00 9.70 O ATOM 781 CB GLN A 49 -1.887 8.791 5.329 1.00 11.67 C ATOM 782 CG GLN A 49 -2.341 9.010 6.818 1.00 15.82 C ATOM 783 CD GLN A 49 -3.621 9.767 6.984 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.603 9.192 7.427 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.658 11.044 6.583 1.00 20.67 N ATOM 0 H GLN A 49 0.514 9.072 6.053 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.200 6.745 5.632 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.496 9.722 4.919 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.743 8.508 4.717 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.448 8.036 7.296 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.551 9.541 7.349 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.815 11.489 6.219 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.529 11.572 6.642 1.00 20.67 H new ATOM 794 N LEU A 50 0.991 7.912 3.591 1.00 6.51 N ATOM 795 CA LEU A 50 1.741 8.034 2.357 1.00 7.41 C ATOM 796 C LEU A 50 1.168 9.119 1.386 1.00 8.27 C ATOM 797 O LEU A 50 0.343 9.960 1.744 1.00 8.34 O ATOM 798 CB LEU A 50 1.888 6.598 1.643 1.00 7.13 C ATOM 799 CG LEU A 50 2.249 5.497 2.613 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.374 4.137 1.872 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.581 5.648 3.366 1.00 9.11 C ATOM 0 H LEU A 50 1.619 7.998 4.390 1.00 6.51 H new ATOM 0 HA LEU A 50 2.736 8.389 2.624 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.951 6.346 1.147 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.652 6.659 0.868 1.00 7.13 H new ATOM 0 HG LEU A 50 1.435 5.553 3.336 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.634 3.356 2.586 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.424 3.892 1.397 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.152 4.207 1.112 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.723 4.795 4.029 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.401 5.691 2.649 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.565 6.566 3.954 1.00 9.11 H new ATOM 813 N GLU A 51 1.601 9.038 0.103 1.00 9.43 N ATOM 814 CA GLU A 51 1.340 9.869 -1.057 1.00 11.90 C ATOM 815 C GLU A 51 1.484 8.885 -2.184 1.00 11.49 C ATOM 816 O GLU A 51 1.919 7.730 -1.906 1.00 9.88 O ATOM 817 CB GLU A 51 2.110 11.188 -1.271 1.00 16.56 C ATOM 818 CG GLU A 51 1.868 12.229 -0.186 1.00 26.06 C ATOM 819 CD GLU A 51 2.842 13.378 -0.260 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.070 13.183 0.013 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.439 14.547 -0.550 1.00 33.44 O ATOM 0 H GLU A 51 2.227 8.275 -0.156 1.00 9.43 H new ATOM 0 HA GLU A 51 0.363 10.338 -0.945 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.177 10.970 -1.320 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.826 11.610 -2.235 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.852 12.612 -0.275 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.945 11.754 0.792 1.00 26.06 H new ATOM 828 N ASP A 52 0.942 9.206 -3.436 1.00 12.71 N ATOM 829 CA ASP A 52 0.807 8.269 -4.569 1.00 16.56 C ATOM 830 C ASP A 52 2.054 8.304 -5.433 1.00 15.83 C ATOM 831 O ASP A 52 2.504 7.265 -5.817 1.00 17.21 O ATOM 832 CB ASP A 52 -0.403 8.717 -5.385 1.00 21.05 C ATOM 833 CG ASP A 52 -1.656 8.876 -4.506 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.919 8.071 -3.610 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.459 9.800 -4.756 1.00 25.82 O ATOM 0 H ASP A 52 0.594 10.140 -3.653 1.00 12.71 H new ATOM 0 HA ASP A 52 0.678 7.249 -4.208 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.180 9.664 -5.876 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.601 7.989 -6.172 1.00 21.05 H new ATOM 840 N GLY A 53 2.625 9.478 -5.679 1.00 15.00 N ATOM 841 CA GLY A 53 3.830 9.569 -6.612 1.00 11.77 C ATOM 842 C GLY A 53 5.194 9.206 -6.058 1.00 11.10 C ATOM 843 O GLY A 53 6.062 8.845 -6.782 1.00 11.25 O ATOM 0 H GLY A 53 2.318 10.366 -5.283 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.637 8.924 -7.469 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.884 10.591 -6.987 1.00 11.77 H new ATOM 847 N ARG A 54 5.324 9.209 -4.763 1.00 8.53 N ATOM 848 CA ARG A 54 6.415 8.608 -3.949 1.00 9.05 C ATOM 849 C ARG A 54 6.681 7.130 -4.170 1.00 8.96 C ATOM 850 O ARG A 54 5.813 6.364 -4.613 1.00 11.60 O ATOM 851 CB ARG A 54 6.108 8.844 -2.495 1.00 7.97 C ATOM 852 CG ARG A 54 5.675 10.307 -2.152 1.00 9.62 C ATOM 853 CD ARG A 54 6.735 11.375 -2.268 1.00 12.20 C ATOM 854 NE ARG A 54 6.157 12.618 -1.611 1.00 18.23 N ATOM 855 CZ ARG A 54 6.881 13.740 -1.432 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.129 13.894 -1.849 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.312 14.655 -0.639 1.00 23.38 N ATOM 0 H ARG A 54 4.627 9.662 -4.172 1.00 8.53 H new ATOM 0 HA ARG A 54 7.329 9.103 -4.277 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.314 8.163 -2.189 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.989 8.592 -1.905 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.846 10.578 -2.806 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.292 10.318 -1.131 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.656 11.065 -1.773 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.983 11.566 -3.312 1.00 12.20 H new ATOM 0 HE ARG A 54 5.187 12.602 -1.295 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.600 13.134 -2.340 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.619 14.772 -1.679 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.398 14.473 -0.224 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.792 15.535 -0.450 1.00 23.38 H new ATOM 871 N THR A 55 7.779 6.555 -3.722 1.00 9.05 N ATOM 872 CA THR A 55 8.073 5.169 -3.811 1.00 9.03 C ATOM 873 C THR A 55 8.151 4.591 -2.448 1.00 8.15 C ATOM 874 O THR A 55 8.154 5.292 -1.399 1.00 5.91 O ATOM 875 CB THR A 55 9.399 4.919 -4.594 1.00 11.15 C ATOM 876 OG1 THR A 55 10.570 5.499 -4.011 1.00 11.95 O ATOM 877 CG2 THR A 55 9.351 5.521 -5.972 1.00 11.71 C ATOM 0 H THR A 55 8.520 7.086 -3.264 1.00 9.05 H new ATOM 0 HA THR A 55 7.272 4.678 -4.364 1.00 9.03 H new ATOM 0 HB THR A 55 9.471 3.831 -4.587 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.390 6.433 -3.776 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.292 5.327 -6.487 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.530 5.076 -6.535 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.196 6.597 -5.894 1.00 11.71 H new ATOM 885 N LEU A 56 8.338 3.225 -2.353 1.00 6.91 N ATOM 886 CA LEU A 56 8.535 2.501 -1.089 1.00 8.29 C ATOM 887 C LEU A 56 9.899 2.914 -0.466 1.00 8.05 C ATOM 888 O LEU A 56 10.075 3.092 0.727 1.00 10.17 O ATOM 889 CB LEU A 56 8.482 0.953 -1.426 1.00 6.60 C ATOM 890 CG LEU A 56 7.074 0.417 -1.737 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.142 -1.081 -2.219 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.050 0.488 -0.553 1.00 8.64 C ATOM 0 H LEU A 56 8.352 2.615 -3.170 1.00 6.91 H new ATOM 0 HA LEU A 56 7.763 2.739 -0.358 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.129 0.758 -2.281 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.891 0.396 -0.583 1.00 6.60 H new ATOM 0 HG LEU A 56 6.709 1.084 -2.518 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.136 -1.440 -2.433 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.750 -1.146 -3.121 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.587 -1.695 -1.436 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.090 0.086 -0.877 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.424 -0.098 0.287 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.923 1.525 -0.244 1.00 8.64 H new ATOM 904 N SER A 57 10.941 3.140 -1.364 1.00 8.92 N ATOM 905 CA SER A 57 12.271 3.550 -1.077 1.00 9.00 C ATOM 906 C SER A 57 12.370 4.865 -0.380 1.00 9.44 C ATOM 907 O SER A 57 13.102 5.111 0.616 1.00 10.91 O ATOM 908 CB SER A 57 13.198 3.628 -2.356 1.00 10.32 C ATOM 909 OG SER A 57 14.585 3.562 -2.047 1.00 13.59 O ATOM 0 H SER A 57 10.800 3.014 -2.366 1.00 8.92 H new ATOM 0 HA SER A 57 12.619 2.761 -0.410 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.944 2.811 -3.032 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.995 4.557 -2.888 1.00 10.32 H new ATOM 0 HG SER A 57 15.107 3.613 -2.875 1.00 13.59 H new ATOM 915 N ASP A 58 11.545 5.839 -0.842 1.00 9.11 N ATOM 916 CA ASP A 58 11.488 7.207 -0.344 1.00 7.91 C ATOM 917 C ASP A 58 11.056 7.205 1.161 1.00 9.12 C ATOM 918 O ASP A 58 11.409 8.086 1.938 1.00 8.61 O ATOM 919 CB ASP A 58 10.459 8.118 -1.052 1.00 8.41 C ATOM 920 CG ASP A 58 10.813 8.430 -2.503 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.760 9.197 -2.706 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.082 7.958 -3.440 1.00 11.70 O ATOM 0 H ASP A 58 10.883 5.671 -1.600 1.00 9.11 H new ATOM 0 HA ASP A 58 12.490 7.597 -0.523 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.481 7.639 -1.021 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.374 9.053 -0.499 1.00 8.41 H new ATOM 927 N TYR A 59 10.266 6.166 1.590 1.00 7.97 N ATOM 928 CA TYR A 59 9.567 5.933 2.812 1.00 8.45 C ATOM 929 C TYR A 59 10.311 4.951 3.678 1.00 10.98 C ATOM 930 O TYR A 59 9.819 4.510 4.689 1.00 12.95 O ATOM 931 CB TYR A 59 8.073 5.428 2.639 1.00 7.94 C ATOM 932 CG TYR A 59 7.221 6.587 2.191 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.085 7.685 3.045 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.478 6.449 0.940 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.260 8.741 2.688 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.624 7.508 0.679 1.00 6.52 C ATOM 937 CZ TYR A 59 5.455 8.631 1.544 1.00 6.76 C ATOM 938 OH TYR A 59 4.460 9.591 1.283 1.00 7.63 O ATOM 0 H TYR A 59 10.112 5.380 0.958 1.00 7.97 H new ATOM 0 HA TYR A 59 9.516 6.913 3.286 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.029 4.621 1.907 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.699 5.025 3.580 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.622 7.711 3.982 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.585 5.600 0.281 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.237 9.640 3.285 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.050 7.482 -0.236 1.00 6.52 H new ATOM 0 HH TYR A 59 4.882 10.441 1.038 1.00 7.63 H new ATOM 948 N ASN A 60 11.448 4.494 3.236 1.00 12.38 N ATOM 949 CA ASN A 60 12.370 3.687 3.995 1.00 13.94 C ATOM 950 C ASN A 60 11.820 2.275 4.172 1.00 14.16 C ATOM 951 O ASN A 60 12.023 1.702 5.241 1.00 14.26 O ATOM 952 CB ASN A 60 12.805 4.322 5.366 1.00 19.23 C ATOM 953 CG ASN A 60 13.392 5.682 5.019 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.769 6.671 5.440 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.544 5.777 4.334 1.00 24.09 N ATOM 0 H ASN A 60 11.777 4.682 2.289 1.00 12.38 H new ATOM 0 HA ASN A 60 13.288 3.638 3.410 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.954 4.423 6.039 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.539 3.696 5.873 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.946 6.693 4.138 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.016 4.933 4.010 1.00 24.09 H new ATOM 962 N ILE A 61 11.029 1.728 3.172 1.00 11.08 N ATOM 963 CA ILE A 61 10.413 0.397 3.259 1.00 11.78 C ATOM 964 C ILE A 61 11.342 -0.624 2.614 1.00 13.74 C ATOM 965 O ILE A 61 11.934 -0.428 1.546 1.00 14.60 O ATOM 966 CB ILE A 61 9.046 0.383 2.573 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.016 1.183 3.482 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.442 -1.081 2.538 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.757 1.376 2.662 1.00 11.42 C ATOM 0 H ILE A 61 10.820 2.216 2.301 1.00 11.08 H new ATOM 0 HA ILE A 61 10.261 0.142 4.308 1.00 11.78 H new ATOM 0 HB ILE A 61 9.182 0.795 1.573 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.799 0.631 4.397 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.432 2.145 3.781 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.470 -1.062 2.045 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.115 -1.739 1.988 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.325 -1.451 3.557 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.020 1.923 3.250 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.993 1.941 1.760 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.351 0.403 2.385 1.00 11.42 H new ATOM 981 N GLN A 62 11.510 -1.726 3.285 1.00 13.97 N ATOM 982 CA GLN A 62 12.482 -2.791 2.942 1.00 15.52 C ATOM 983 C GLN A 62 11.780 -4.094 2.794 1.00 13.94 C ATOM 984 O GLN A 62 10.579 -4.262 2.833 1.00 12.15 O ATOM 985 CB GLN A 62 13.530 -2.794 4.132 1.00 19.53 C ATOM 986 CG GLN A 62 14.104 -1.380 4.555 1.00 26.38 C ATOM 987 CD GLN A 62 15.468 -1.573 5.187 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.459 -1.108 4.640 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.586 -2.438 6.237 1.00 32.71 N ATOM 0 H GLN A 62 10.967 -1.941 4.121 1.00 13.97 H new ATOM 0 HA GLN A 62 12.985 -2.619 1.991 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.059 -3.248 5.004 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.366 -3.434 3.852 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.181 -0.729 3.684 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.428 -0.894 5.258 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.750 -2.817 6.682 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.510 -2.705 6.576 1.00 32.71 H new ATOM 998 N LYS A 63 12.545 -5.193 2.427 1.00 11.73 N ATOM 999 CA LYS A 63 12.023 -6.532 2.431 1.00 11.97 C ATOM 1000 C LYS A 63 11.377 -7.041 3.678 1.00 10.41 C ATOM 1001 O LYS A 63 11.931 -6.793 4.775 1.00 9.59 O ATOM 1002 CB LYS A 63 13.065 -7.577 2.008 1.00 13.73 C ATOM 1003 CG LYS A 63 14.086 -8.049 3.082 1.00 16.98 C ATOM 1004 CD LYS A 63 15.222 -8.887 2.400 1.00 20.19 C ATOM 1005 CE LYS A 63 16.273 -9.397 3.382 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.397 -9.863 2.565 1.00 25.97 N ATOM 0 H LYS A 63 13.519 -5.128 2.132 1.00 11.73 H new ATOM 0 HA LYS A 63 11.223 -6.414 1.700 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.532 -8.455 1.642 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.626 -7.171 1.166 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.514 -7.187 3.594 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.581 -8.650 3.838 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.776 -9.737 1.883 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.711 -8.274 1.643 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.587 -8.606 4.063 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.875 -10.206 3.995 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.150 -10.225 3.184 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.075 -10.623 1.932 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.765 -9.073 1.998 1.00 25.97 H new ATOM 1020 N GLU A 64 10.279 -7.750 3.476 1.00 10.04 N ATOM 1021 CA GLU A 64 9.493 -8.467 4.449 1.00 10.94 C ATOM 1022 C GLU A 64 8.787 -7.530 5.419 1.00 9.74 C ATOM 1023 O GLU A 64 8.370 -7.935 6.513 1.00 9.42 O ATOM 1024 CB GLU A 64 10.331 -9.519 5.166 1.00 18.31 C ATOM 1025 CG GLU A 64 11.020 -10.580 4.245 1.00 24.16 C ATOM 1026 CD GLU A 64 11.733 -11.610 5.149 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.115 -12.435 5.863 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.957 -11.561 5.207 1.00 32.61 O ATOM 0 H GLU A 64 9.885 -7.842 2.540 1.00 10.04 H new ATOM 0 HA GLU A 64 8.706 -8.994 3.909 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.103 -9.010 5.744 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.693 -10.042 5.878 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.281 -11.074 3.615 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.736 -10.098 3.579 1.00 24.16 H new ATOM 1035 N SER A 65 8.532 -6.290 4.986 1.00 6.85 N ATOM 1036 CA SER A 65 7.884 -5.313 5.774 1.00 6.90 C ATOM 1037 C SER A 65 6.392 -5.455 5.598 1.00 4.72 C ATOM 1038 O SER A 65 5.847 -5.927 4.607 1.00 3.91 O ATOM 1039 CB SER A 65 8.245 -3.883 5.247 1.00 7.28 C ATOM 1040 OG SER A 65 9.636 -3.801 5.203 1.00 10.56 O ATOM 0 H SER A 65 8.788 -5.961 4.055 1.00 6.85 H new ATOM 0 HA SER A 65 8.191 -5.444 6.812 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.818 -3.718 4.258 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.835 -3.116 5.903 1.00 7.28 H new ATOM 0 HG SER A 65 9.971 -4.332 4.451 1.00 10.56 H new ATOM 1046 N THR A 66 5.656 -5.032 6.627 1.00 4.48 N ATOM 1047 CA THR A 66 4.214 -5.067 6.776 1.00 3.80 C ATOM 1048 C THR A 66 3.599 -3.695 6.655 1.00 4.60 C ATOM 1049 O THR A 66 3.818 -2.788 7.425 1.00 5.33 O ATOM 1050 CB THR A 66 3.755 -5.712 8.109 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.073 -7.096 8.227 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.239 -5.581 8.229 1.00 3.40 C ATOM 0 H THR A 66 6.102 -4.621 7.447 1.00 4.48 H new ATOM 0 HA THR A 66 3.862 -5.694 5.957 1.00 3.80 H new ATOM 0 HB THR A 66 4.290 -5.182 8.897 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.755 -7.432 9.091 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.908 -6.032 9.164 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.963 -4.527 8.217 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.762 -6.090 7.391 1.00 3.40 H new ATOM 1060 N LEU A 67 2.712 -3.549 5.605 1.00 4.17 N ATOM 1061 CA LEU A 67 2.066 -2.314 5.144 1.00 3.85 C ATOM 1062 C LEU A 67 0.571 -2.501 5.604 1.00 3.80 C ATOM 1063 O LEU A 67 -0.086 -3.499 5.244 1.00 5.54 O ATOM 1064 CB LEU A 67 2.131 -1.975 3.579 1.00 7.18 C ATOM 1065 CG LEU A 67 3.498 -1.413 3.136 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.669 -2.362 3.515 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.519 -1.124 1.656 1.00 11.66 C ATOM 0 H LEU A 67 2.430 -4.352 5.043 1.00 4.17 H new ATOM 0 HA LEU A 67 2.599 -1.462 5.566 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.915 -2.878 3.009 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.352 -1.251 3.338 1.00 7.18 H new ATOM 0 HG LEU A 67 3.640 -0.476 3.675 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.612 -1.927 3.184 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.692 -2.498 4.596 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.526 -3.328 3.031 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.496 -0.729 1.376 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.327 -2.043 1.103 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.749 -0.390 1.418 1.00 11.66 H new ATOM 1079 N HIS A 68 0.088 -1.613 6.492 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.229 -1.793 7.063 1.00 4.17 C ATOM 1081 C HIS A 68 -2.252 -1.160 6.095 1.00 5.32 C ATOM 1082 O HIS A 68 -2.259 0.012 5.891 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.299 -1.065 8.441 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.752 -1.953 9.542 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.586 -2.142 9.740 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.422 -2.690 10.460 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.705 -3.082 10.747 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.468 -3.345 11.236 1.00 16.30 N ATOM 0 H HIS A 68 0.589 -0.785 6.815 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.444 -2.852 7.209 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.729 -0.137 8.398 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.331 -0.795 8.664 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.494 -2.757 10.570 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.632 -3.529 11.076 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.659 -3.931 12.049 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.129 -1.954 5.411 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.165 -1.534 4.471 1.00 3.97 C ATOM 1098 C LEU A 69 -5.480 -1.339 5.189 1.00 5.07 C ATOM 1099 O LEU A 69 -6.059 -2.268 5.781 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.274 -2.558 3.420 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.482 -2.524 2.500 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.453 -1.189 1.753 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.412 -3.716 1.508 1.00 9.96 C ATOM 0 H LEU A 69 -3.113 -2.968 5.523 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.902 -0.578 4.018 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.381 -2.492 2.798 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.253 -3.534 3.904 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.411 -2.613 3.064 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.309 -1.130 1.081 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.497 -0.370 2.470 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.532 -1.115 1.175 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.279 -3.691 0.848 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.501 -3.642 0.914 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.406 -4.653 2.065 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.020 -0.121 5.112 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.338 0.235 5.583 1.00 6.26 C ATOM 1117 C VAL A 70 -8.273 0.987 4.605 1.00 9.22 C ATOM 1118 O VAL A 70 -7.858 1.434 3.517 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.420 0.982 6.894 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.590 0.344 8.049 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.846 2.413 6.639 1.00 8.54 C ATOM 0 H VAL A 70 -5.522 0.668 4.701 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.693 -0.788 5.709 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.463 0.969 7.211 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.705 0.942 8.953 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.946 -0.669 8.237 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.538 0.312 7.766 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.886 2.991 7.562 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.812 2.336 6.303 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.440 2.912 5.873 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.543 0.978 4.926 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.544 1.700 4.184 1.00 16.06 C ATOM 1133 C LEU A 71 -10.227 3.212 4.097 1.00 18.09 C ATOM 1134 O LEU A 71 -9.854 3.862 5.071 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.989 1.563 4.680 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.184 2.110 3.796 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.221 1.794 2.323 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.566 1.953 4.562 1.00 19.57 C ATOM 0 H LEU A 71 -9.915 0.461 5.722 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.491 1.218 3.208 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.173 0.503 4.854 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.048 2.060 5.648 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.956 3.171 3.694 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.106 2.247 1.876 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.327 2.193 1.843 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.256 0.714 2.183 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.374 2.335 3.937 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.743 0.900 4.781 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.531 2.516 5.494 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.441 3.802 2.933 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.261 5.211 2.744 1.00 25.83 C ATOM 1152 C ARG A 72 -11.596 5.777 2.221 1.00 27.74 C ATOM 1153 O ARG A 72 -12.262 5.226 1.335 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.074 5.555 1.771 1.00 28.49 C ATOM 1155 CG ARG A 72 -8.811 7.029 1.609 1.00 31.79 C ATOM 1156 CD ARG A 72 -7.540 7.466 0.886 1.00 34.05 C ATOM 1157 NE ARG A 72 -7.496 8.908 0.669 1.00 35.08 N ATOM 1158 CZ ARG A 72 -6.704 9.441 -0.291 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -5.667 8.799 -0.834 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -6.927 10.671 -0.753 1.00 35.02 N ATOM 0 H ARG A 72 -10.746 3.305 2.096 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.988 5.669 3.695 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.167 5.075 2.139 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.287 5.126 0.792 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.660 7.461 1.078 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.797 7.475 2.604 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -6.670 7.161 1.468 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -7.476 6.954 -0.074 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.069 9.522 1.248 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -5.435 7.854 -0.528 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.106 9.254 -1.555 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -7.702 11.222 -0.383 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -6.323 11.061 -1.476 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.008 6.922 2.912 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.220 7.687 2.663 1.00 30.76 C ATOM 1176 C LEU A 73 -12.805 9.075 2.216 1.00 32.18 C ATOM 1177 O LEU A 73 -11.807 9.662 2.626 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.111 7.689 3.960 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.827 6.346 4.340 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.657 6.376 5.594 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.726 5.846 3.121 1.00 29.11 C ATOM 0 H LEU A 73 -11.455 7.313 3.675 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.829 7.247 1.874 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.484 7.987 4.800 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.875 8.458 3.844 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.014 5.652 4.553 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.104 5.395 5.758 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.024 6.633 6.443 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.446 7.121 5.491 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.220 4.913 3.392 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.478 6.601 2.890 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.095 5.682 2.247 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.513 9.691 1.244 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.031 10.894 0.578 1.00 35.33 C ATOM 1195 C ARG A 74 -12.817 12.077 1.450 1.00 36.22 C ATOM 1196 O ARG A 74 -11.881 12.828 1.285 1.00 36.70 O ATOM 1197 CB ARG A 74 -13.927 11.172 -0.605 1.00 36.91 C ATOM 1198 CG ARG A 74 -13.347 12.187 -1.506 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.932 12.489 -2.873 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.749 11.276 -3.825 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.559 11.021 -4.400 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -11.661 12.026 -4.463 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.418 9.943 -5.215 1.00 41.93 N ATOM 0 H ARG A 74 -14.420 9.365 0.912 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.015 10.692 0.239 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -14.095 10.248 -1.159 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -14.900 11.513 -0.252 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -13.340 13.127 -0.954 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -12.307 11.904 -1.667 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.991 12.726 -2.777 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.446 13.368 -3.297 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.542 10.664 -4.017 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -11.894 12.943 -4.082 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -10.749 11.869 -4.892 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.213 9.329 -5.390 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.517 9.748 -5.652 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.737 12.199 2.427 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.722 13.371 3.297 1.00 36.07 C ATOM 1219 C GLY A 75 -12.644 13.334 4.351 1.00 36.16 C ATOM 1220 O GLY A 75 -12.438 14.395 4.963 1.00 36.26 O ATOM 0 H GLY A 75 -14.473 11.521 2.623 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.589 14.264 2.686 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.692 13.461 3.786 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.898 12.171 4.646 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.849 12.166 5.626 1.00 36.19 C ATOM 1226 C GLY A 76 -9.750 11.204 5.215 1.00 36.20 C ATOM 1227 O GLY A 76 -8.798 11.620 4.457 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.709 10.085 5.748 1.00 0.00 O ATOM 0 H GLY A 76 -12.050 11.271 4.192 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -10.440 13.170 5.736 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.251 11.877 6.597 1.00 36.19 H new TER 1232 GLY A 76