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 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -177:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 147:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.25 (180deg=1.11) USER MOD Single : A 2 GLN :FLIP amide:sc= 0.964 F(o=-0.2,f=0.96) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 1.16 (180deg=-0.283!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.51 (180deg=1.04) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ 136:sc= 0.314 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0842 K(o=-0.084,f=-0.97) USER MOD Single : A 41 GLN : amide:sc= 0.268 K(o=0.27,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.83) USER MOD Single : A 55 THR OG1 : rot -73:sc= 1.09 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.111 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0698 X(o=0.07,f=-0.056) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) 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= -0.0693 X(o=-0.069,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.291 -7.032 -5.410 1.00 9.67 N ATOM 2 CA MET A 1 11.164 -7.103 -3.910 1.00 10.38 C ATOM 3 C MET A 1 9.815 -7.610 -3.474 1.00 9.62 C ATOM 4 O MET A 1 8.812 -7.507 -4.128 1.00 9.62 O ATOM 5 CB MET A 1 11.587 -5.733 -3.292 1.00 13.77 C ATOM 6 CG MET A 1 11.778 -5.771 -1.820 1.00 16.29 C ATOM 7 SD MET A 1 12.591 -4.337 -1.085 1.00 17.17 S ATOM 8 CE MET A 1 11.035 -3.317 -1.024 1.00 16.11 C ATOM 0 H1 MET A 1 12.292 -7.115 -5.678 1.00 9.67 H new ATOM 0 H2 MET A 1 10.752 -7.810 -5.841 1.00 9.67 H new ATOM 0 H3 MET A 1 10.917 -6.122 -5.747 1.00 9.67 H new ATOM 0 HA MET A 1 11.852 -7.851 -3.516 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.515 -5.405 -3.761 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.828 -4.988 -3.531 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.801 -5.889 -1.351 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.360 -6.659 -1.573 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.257 -2.340 -0.595 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.644 -3.190 -2.033 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.292 -3.823 -0.408 1.00 16.11 H new ATOM 20 N GLN A 2 9.816 -8.223 -2.258 1.00 9.27 N ATOM 21 CA GLN A 2 8.629 -8.688 -1.613 1.00 9.07 C ATOM 22 C GLN A 2 8.400 -7.876 -0.370 1.00 8.72 C ATOM 23 O GLN A 2 9.327 -7.693 0.427 1.00 8.22 O ATOM 24 CB GLN A 2 8.733 -10.167 -1.329 1.00 14.46 C ATOM 25 CG GLN A 2 7.406 -10.762 -0.856 1.00 17.01 C ATOM 26 CD GLN A 2 7.559 -12.279 -0.801 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.958 -12.883 -1.955 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 7.464 -12.912 0.217 1.00 19.49 N flip ATOM 0 H GLN A 2 10.666 -8.394 -1.721 1.00 9.27 H new ATOM 0 HA GLN A 2 7.765 -8.557 -2.265 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.060 -10.686 -2.230 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.496 -10.336 -0.569 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.142 -10.370 0.126 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.601 -10.485 -1.536 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.165 -12.453 1.077 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.683 -13.908 0.220 1.00 19.49 H new ATOM 37 N ILE A 3 7.148 -7.433 -0.147 1.00 5.87 N ATOM 38 CA ILE A 3 6.616 -6.867 1.111 1.00 5.07 C ATOM 39 C ILE A 3 5.179 -7.374 1.286 1.00 4.01 C ATOM 40 O ILE A 3 4.639 -8.164 0.481 1.00 4.61 O ATOM 41 CB ILE A 3 6.525 -5.352 1.149 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.904 -4.645 -0.114 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.971 -4.965 1.331 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.991 -3.108 0.048 1.00 10.83 C ATOM 0 H ILE A 3 6.439 -7.461 -0.880 1.00 5.87 H new ATOM 0 HA ILE A 3 7.313 -7.178 1.889 1.00 5.07 H new ATOM 0 HB ILE A 3 5.835 -5.029 1.929 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.435 -4.955 -1.014 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.864 -4.948 -0.237 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.054 -3.879 1.376 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.349 -5.396 2.258 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.556 -5.339 0.491 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.560 -2.625 -0.829 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.440 -2.804 0.938 1.00 10.83 H new ATOM 0 HD13 ILE A 3 7.035 -2.811 0.149 1.00 10.83 H new ATOM 56 N PHE A 4 4.547 -7.083 2.446 1.00 4.55 N ATOM 57 CA PHE A 4 3.391 -7.697 3.008 1.00 4.68 C ATOM 58 C PHE A 4 2.402 -6.693 3.497 1.00 5.30 C ATOM 59 O PHE A 4 2.773 -5.645 4.064 1.00 5.58 O ATOM 60 CB PHE A 4 3.739 -8.762 4.160 1.00 4.83 C ATOM 61 CG PHE A 4 4.762 -9.794 3.771 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.607 -10.806 2.811 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.904 -9.744 4.493 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.580 -11.749 2.560 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.918 -10.707 4.352 1.00 10.61 C ATOM 66 CZ PHE A 4 6.731 -11.709 3.321 1.00 8.90 C ATOM 0 H PHE A 4 4.893 -6.335 3.047 1.00 4.55 H new ATOM 0 HA PHE A 4 2.932 -8.252 2.190 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.100 -8.224 5.037 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.822 -9.272 4.454 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.688 -10.847 2.246 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.041 -8.939 5.200 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.446 -12.496 1.792 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.795 -10.701 4.982 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.508 -12.439 3.145 1.00 8.90 H new ATOM 76 N VAL A 5 1.092 -6.891 3.228 1.00 4.44 N ATOM 77 CA VAL A 5 0.090 -5.832 3.558 1.00 3.87 C ATOM 78 C VAL A 5 -1.011 -6.470 4.398 1.00 4.93 C ATOM 79 O VAL A 5 -1.688 -7.448 4.074 1.00 6.84 O ATOM 80 CB VAL A 5 -0.452 -5.192 2.322 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.204 -3.899 2.752 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.741 -4.851 1.374 1.00 9.13 C ATOM 0 H VAL A 5 0.707 -7.734 2.802 1.00 4.44 H new ATOM 0 HA VAL A 5 0.565 -5.033 4.127 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.138 -5.853 1.793 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.613 -3.406 1.870 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.015 -4.159 3.432 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.511 -3.225 3.255 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.362 -4.383 0.466 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.422 -4.166 1.878 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.273 -5.766 1.115 1.00 9.13 H new ATOM 92 N LYS A 6 -1.255 -5.840 5.578 1.00 6.04 N ATOM 93 CA LYS A 6 -2.270 -6.297 6.492 1.00 6.12 C ATOM 94 C LYS A 6 -3.611 -5.556 6.133 1.00 6.57 C ATOM 95 O LYS A 6 -3.735 -4.334 6.259 1.00 5.76 O ATOM 96 CB LYS A 6 -1.828 -5.926 7.961 1.00 7.45 C ATOM 97 CG LYS A 6 -0.784 -6.872 8.632 1.00 11.12 C ATOM 98 CD LYS A 6 -1.350 -8.302 8.891 1.00 14.54 C ATOM 99 CE LYS A 6 -0.335 -9.272 9.551 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.846 -10.659 9.602 1.00 20.55 N ATOM 0 H LYS A 6 -0.747 -5.014 5.895 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.410 -7.376 6.420 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.416 -4.917 7.949 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.718 -5.900 8.589 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.098 -6.944 7.995 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.460 -6.437 9.577 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.230 -8.223 9.530 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.681 -8.728 7.944 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.601 -9.251 8.994 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.112 -8.931 10.562 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.159 -11.264 10.096 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.752 -10.677 10.112 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.987 -11.013 8.634 1.00 20.55 H new ATOM 114 N THR A 7 -4.668 -6.290 5.733 1.00 7.41 N ATOM 115 CA THR A 7 -5.977 -5.700 5.315 1.00 7.48 C ATOM 116 C THR A 7 -6.837 -5.545 6.584 1.00 8.75 C ATOM 117 O THR A 7 -6.596 -6.141 7.617 1.00 8.58 O ATOM 118 CB THR A 7 -6.790 -6.534 4.298 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.528 -7.643 4.804 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.806 -7.136 3.247 1.00 9.17 C ATOM 0 H THR A 7 -4.649 -7.309 5.687 1.00 7.41 H new ATOM 0 HA THR A 7 -5.742 -4.761 4.813 1.00 7.48 H new ATOM 0 HB THR A 7 -7.518 -5.821 3.911 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.998 -8.086 4.067 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.365 -7.728 2.522 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.285 -6.329 2.732 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.079 -7.773 3.752 1.00 9.17 H new ATOM 128 N LEU A 8 -7.863 -4.666 6.612 1.00 9.84 N ATOM 129 CA LEU A 8 -8.785 -4.417 7.782 1.00 14.15 C ATOM 130 C LEU A 8 -9.444 -5.654 8.292 1.00 17.37 C ATOM 131 O LEU A 8 -9.584 -5.819 9.482 1.00 17.01 O ATOM 132 CB LEU A 8 -9.984 -3.463 7.424 1.00 16.63 C ATOM 133 CG LEU A 8 -9.603 -2.019 7.216 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.512 -1.327 6.180 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.665 -1.271 8.575 1.00 18.59 C ATOM 0 H LEU A 8 -8.093 -4.085 5.806 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.117 -3.981 8.525 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.465 -3.831 6.518 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.724 -3.517 8.222 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.587 -1.988 6.823 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.203 -0.289 6.061 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.431 -1.842 5.223 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.546 -1.360 6.523 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.390 -0.227 8.428 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.677 -1.327 8.975 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.971 -1.734 9.277 1.00 18.59 H new ATOM 147 N THR A 9 -9.751 -6.650 7.440 1.00 18.33 N ATOM 148 CA THR A 9 -10.535 -7.848 7.774 1.00 19.24 C ATOM 149 C THR A 9 -9.561 -9.098 7.961 1.00 19.48 C ATOM 150 O THR A 9 -9.900 -10.273 7.907 1.00 23.14 O ATOM 151 CB THR A 9 -11.469 -8.323 6.673 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.954 -8.572 5.343 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.551 -7.265 6.508 1.00 19.70 C ATOM 0 H THR A 9 -9.448 -6.640 6.466 1.00 18.33 H new ATOM 0 HA THR A 9 -11.097 -7.550 8.659 1.00 19.24 H new ATOM 0 HB THR A 9 -11.774 -9.307 7.029 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.683 -8.872 4.761 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.243 -7.572 5.724 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.094 -7.150 7.446 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.092 -6.315 6.236 1.00 19.70 H new ATOM 161 N GLY A 10 -8.258 -8.753 8.289 1.00 19.43 N ATOM 162 CA GLY A 10 -7.281 -9.681 8.902 1.00 18.74 C ATOM 163 C GLY A 10 -6.532 -10.607 7.928 1.00 17.62 C ATOM 164 O GLY A 10 -5.633 -11.290 8.381 1.00 19.74 O ATOM 0 H GLY A 10 -7.879 -7.820 8.127 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.546 -9.093 9.452 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.804 -10.299 9.631 1.00 18.74 H new ATOM 168 N LYS A 11 -6.790 -10.513 6.635 1.00 13.56 N ATOM 169 CA LYS A 11 -5.857 -11.133 5.645 1.00 11.91 C ATOM 170 C LYS A 11 -4.464 -10.444 5.573 1.00 10.18 C ATOM 171 O LYS A 11 -4.308 -9.185 5.779 1.00 9.10 O ATOM 172 CB LYS A 11 -6.560 -11.166 4.260 1.00 13.43 C ATOM 173 CG LYS A 11 -5.731 -11.834 3.088 1.00 16.69 C ATOM 174 CD LYS A 11 -6.408 -11.850 1.667 1.00 17.92 C ATOM 175 CE LYS A 11 -7.702 -12.596 1.414 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.851 -12.956 0.003 1.00 21.93 N ATOM 0 H LYS A 11 -7.599 -10.038 6.234 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.637 -12.147 5.979 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.504 -11.701 4.364 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.804 -10.143 3.972 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.777 -11.313 3.005 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.509 -12.863 3.371 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.582 -10.811 1.387 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.671 -12.249 0.970 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.727 -13.498 2.025 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.545 -11.978 1.723 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.389 -13.843 -0.074 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.359 -12.198 -0.497 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.911 -13.083 -0.424 1.00 21.93 H new ATOM 190 N THR A 12 -3.425 -11.218 5.279 1.00 9.63 N ATOM 191 CA THR A 12 -2.125 -10.686 4.898 1.00 9.85 C ATOM 192 C THR A 12 -1.832 -10.942 3.464 1.00 11.66 C ATOM 193 O THR A 12 -1.872 -12.045 2.975 1.00 12.33 O ATOM 194 CB THR A 12 -0.951 -11.305 5.651 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.321 -11.535 7.021 1.00 10.91 O ATOM 196 CG2 THR A 12 0.268 -10.438 5.755 1.00 9.63 C ATOM 0 H THR A 12 -3.463 -12.237 5.299 1.00 9.63 H new ATOM 0 HA THR A 12 -2.207 -9.625 5.134 1.00 9.85 H new ATOM 0 HB THR A 12 -0.718 -12.201 5.076 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.866 -12.337 7.352 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.045 -10.967 6.307 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.631 -10.200 4.755 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.015 -9.516 6.278 1.00 9.63 H new ATOM 204 N ILE A 13 -1.604 -9.862 2.647 1.00 10.42 N ATOM 205 CA ILE A 13 -1.329 -9.907 1.228 1.00 11.84 C ATOM 206 C ILE A 13 0.177 -9.998 1.000 1.00 10.55 C ATOM 207 O ILE A 13 0.932 -9.423 1.827 1.00 11.92 O ATOM 208 CB ILE A 13 -1.976 -8.778 0.416 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.491 -8.831 0.603 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.641 -8.883 -1.081 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.128 -7.566 -0.044 1.00 16.46 C ATOM 0 H ILE A 13 -1.615 -8.908 3.008 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.806 -10.808 0.843 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.578 -7.830 0.779 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.895 -9.733 0.143 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.738 -8.876 1.664 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.119 -8.064 -1.619 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.561 -8.825 -1.217 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.005 -9.834 -1.469 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.210 -7.597 0.085 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.730 -6.672 0.436 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.890 -7.542 -1.108 1.00 16.46 H new ATOM 223 N THR A 14 0.632 -10.688 -0.019 1.00 9.39 N ATOM 224 CA THR A 14 2.076 -10.713 -0.402 1.00 9.63 C ATOM 225 C THR A 14 2.170 -9.962 -1.728 1.00 11.20 C ATOM 226 O THR A 14 1.447 -10.224 -2.683 1.00 11.63 O ATOM 227 CB THR A 14 2.499 -12.161 -0.577 1.00 10.38 C ATOM 228 OG1 THR A 14 2.248 -12.838 0.692 1.00 16.30 O ATOM 229 CG2 THR A 14 3.982 -12.341 -0.910 1.00 11.66 C ATOM 0 H THR A 14 0.036 -11.255 -0.622 1.00 9.39 H new ATOM 0 HA THR A 14 2.721 -10.255 0.347 1.00 9.63 H new ATOM 0 HB THR A 14 1.933 -12.568 -1.415 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.508 -13.780 0.617 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.204 -13.403 -1.019 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.211 -11.825 -1.842 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.589 -11.924 -0.106 1.00 11.66 H new ATOM 237 N LEU A 15 3.010 -8.932 -1.880 1.00 8.29 N ATOM 238 CA LEU A 15 3.196 -8.140 -3.093 1.00 9.03 C ATOM 239 C LEU A 15 4.547 -8.250 -3.652 1.00 8.59 C ATOM 240 O LEU A 15 5.568 -8.188 -3.024 1.00 7.79 O ATOM 241 CB LEU A 15 2.881 -6.600 -2.889 1.00 11.08 C ATOM 242 CG LEU A 15 1.464 -6.317 -2.416 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.260 -4.851 -2.048 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.401 -6.798 -3.406 1.00 15.27 C ATOM 0 H LEU A 15 3.608 -8.615 -1.117 1.00 8.29 H new ATOM 0 HA LEU A 15 2.477 -8.568 -3.791 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.584 -6.189 -2.165 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.050 -6.077 -3.830 1.00 11.08 H new ATOM 0 HG LEU A 15 1.333 -6.902 -1.506 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.233 -4.699 -1.716 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.945 -4.579 -1.245 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.456 -4.226 -2.919 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.590 -6.569 -3.015 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.539 -6.293 -4.362 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.496 -7.875 -3.547 1.00 15.27 H new ATOM 256 N GLU A 16 4.623 -8.286 -5.015 1.00 11.04 N ATOM 257 CA GLU A 16 5.891 -8.212 -5.778 1.00 11.50 C ATOM 258 C GLU A 16 6.083 -6.826 -6.329 1.00 10.13 C ATOM 259 O GLU A 16 5.374 -6.358 -7.203 1.00 9.83 O ATOM 260 CB GLU A 16 5.822 -9.181 -6.956 1.00 17.22 C ATOM 261 CG GLU A 16 6.880 -8.990 -8.080 1.00 23.33 C ATOM 262 CD GLU A 16 8.283 -9.113 -7.608 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.638 -10.026 -6.826 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.121 -8.231 -8.112 1.00 28.90 O ATOM 0 H GLU A 16 3.799 -8.368 -5.611 1.00 11.04 H new ATOM 0 HA GLU A 16 6.717 -8.465 -5.113 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.917 -10.195 -6.568 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.831 -9.102 -7.404 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.703 -9.728 -8.862 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.743 -8.008 -8.532 1.00 23.33 H new ATOM 271 N VAL A 17 7.035 -6.154 -5.741 1.00 8.99 N ATOM 272 CA VAL A 17 7.113 -4.663 -5.866 1.00 8.85 C ATOM 273 C VAL A 17 8.538 -4.388 -6.289 1.00 8.04 C ATOM 274 O VAL A 17 9.482 -5.145 -6.048 1.00 8.99 O ATOM 275 CB VAL A 17 6.797 -3.895 -4.600 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.303 -4.068 -4.216 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.680 -4.329 -3.397 1.00 10.54 C ATOM 0 H VAL A 17 7.771 -6.575 -5.173 1.00 8.99 H new ATOM 0 HA VAL A 17 6.358 -4.324 -6.575 1.00 8.85 H new ATOM 0 HB VAL A 17 7.013 -2.849 -4.816 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.095 -3.509 -3.304 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.674 -3.693 -5.023 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.090 -5.124 -4.051 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.409 -3.745 -2.517 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.521 -5.388 -3.192 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.730 -4.159 -3.636 1.00 10.54 H new ATOM 287 N GLU A 18 8.752 -3.253 -6.968 1.00 7.29 N ATOM 288 CA GLU A 18 10.027 -2.647 -7.064 1.00 7.08 C ATOM 289 C GLU A 18 10.180 -1.480 -6.085 1.00 6.45 C ATOM 290 O GLU A 18 9.143 -1.011 -5.776 1.00 5.28 O ATOM 291 CB GLU A 18 10.333 -2.047 -8.426 1.00 10.28 C ATOM 292 CG GLU A 18 10.422 -2.996 -9.638 1.00 12.65 C ATOM 293 CD GLU A 18 11.362 -4.162 -9.364 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.464 -4.068 -8.769 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.010 -5.258 -9.852 1.00 18.17 O ATOM 0 H GLU A 18 8.016 -2.747 -7.461 1.00 7.29 H new ATOM 0 HA GLU A 18 10.706 -3.472 -6.850 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.566 -1.303 -8.642 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.281 -1.515 -8.350 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.429 -3.376 -9.878 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.771 -2.443 -10.510 1.00 12.65 H new ATOM 302 N PRO A 19 11.341 -1.081 -5.521 1.00 7.24 N ATOM 303 CA PRO A 19 11.566 0.136 -4.763 1.00 7.07 C ATOM 304 C PRO A 19 11.009 1.371 -5.425 1.00 6.65 C ATOM 305 O PRO A 19 10.613 2.327 -4.786 1.00 6.37 O ATOM 306 CB PRO A 19 13.108 0.242 -4.541 1.00 7.61 C ATOM 307 CG PRO A 19 13.528 -1.230 -4.475 1.00 8.16 C ATOM 308 CD PRO A 19 12.479 -1.960 -5.373 1.00 7.49 C ATOM 0 HA PRO A 19 11.030 0.080 -3.815 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.601 0.770 -5.357 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.351 0.776 -3.623 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.542 -1.373 -4.848 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.509 -1.606 -3.452 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.908 -2.198 -6.346 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.177 -2.904 -4.919 1.00 7.49 H new ATOM 316 N SER A 20 11.008 1.380 -6.780 1.00 6.80 N ATOM 317 CA SER A 20 10.568 2.433 -7.658 1.00 6.28 C ATOM 318 C SER A 20 9.162 2.436 -8.049 1.00 8.45 C ATOM 319 O SER A 20 8.661 3.274 -8.889 1.00 7.26 O ATOM 320 CB SER A 20 11.327 2.300 -9.007 1.00 8.57 C ATOM 321 OG SER A 20 11.251 0.957 -9.605 1.00 11.13 O ATOM 0 H SER A 20 11.347 0.575 -7.306 1.00 6.80 H new ATOM 0 HA SER A 20 10.755 3.335 -7.075 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.922 3.025 -9.713 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.374 2.558 -8.850 1.00 8.57 H new ATOM 0 HG SER A 20 11.748 0.946 -10.450 1.00 11.13 H new ATOM 327 N ASP A 21 8.309 1.560 -7.438 1.00 7.50 N ATOM 328 CA ASP A 21 6.889 1.652 -7.583 1.00 7.70 C ATOM 329 C ASP A 21 6.361 2.828 -6.696 1.00 7.08 C ATOM 330 O ASP A 21 6.656 2.914 -5.495 1.00 8.11 O ATOM 331 CB ASP A 21 6.237 0.242 -7.335 1.00 11.00 C ATOM 332 CG ASP A 21 6.492 -0.696 -8.481 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.382 -0.362 -9.677 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.761 -1.899 -8.148 1.00 14.36 O ATOM 0 H ASP A 21 8.619 0.790 -6.845 1.00 7.50 H new ATOM 0 HA ASP A 21 6.592 1.909 -8.600 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.637 -0.188 -6.417 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.163 0.358 -7.191 1.00 11.00 H new ATOM 339 N THR A 22 5.485 3.604 -7.286 1.00 5.37 N ATOM 340 CA THR A 22 4.716 4.603 -6.518 1.00 6.01 C ATOM 341 C THR A 22 3.759 3.970 -5.561 1.00 8.01 C ATOM 342 O THR A 22 3.284 2.858 -5.826 1.00 8.11 O ATOM 343 CB THR A 22 3.985 5.676 -7.265 1.00 8.92 C ATOM 344 OG1 THR A 22 3.063 5.145 -8.235 1.00 10.22 O ATOM 345 CG2 THR A 22 5.076 6.623 -7.934 1.00 9.65 C ATOM 0 H THR A 22 5.275 3.579 -8.284 1.00 5.37 H new ATOM 0 HA THR A 22 5.531 5.118 -6.010 1.00 6.01 H new ATOM 0 HB THR A 22 3.365 6.246 -6.573 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.610 5.883 -8.694 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.577 7.418 -8.488 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.704 7.060 -7.157 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.695 6.040 -8.615 1.00 9.65 H new ATOM 353 N ILE A 23 3.409 4.684 -4.456 1.00 8.32 N ATOM 354 CA ILE A 23 2.419 4.156 -3.554 1.00 9.92 C ATOM 355 C ILE A 23 1.038 3.878 -4.281 1.00 10.01 C ATOM 356 O ILE A 23 0.269 2.959 -3.944 1.00 8.71 O ATOM 357 CB ILE A 23 2.203 5.074 -2.337 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.545 5.471 -1.678 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.258 4.451 -1.321 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.595 4.408 -1.254 1.00 12.30 C ATOM 0 H ILE A 23 3.797 5.591 -4.198 1.00 8.32 H new ATOM 0 HA ILE A 23 2.811 3.203 -3.198 1.00 9.92 H new ATOM 0 HB ILE A 23 1.733 5.985 -2.706 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.046 6.151 -2.367 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.300 6.046 -0.785 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.132 5.130 -0.478 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.290 4.269 -1.788 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.674 3.507 -0.968 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.459 4.906 -0.814 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.153 3.732 -0.522 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.911 3.839 -2.129 1.00 12.30 H new ATOM 372 N GLU A 24 0.699 4.722 -5.318 1.00 9.54 N ATOM 373 CA GLU A 24 -0.409 4.456 -6.252 1.00 11.81 C ATOM 374 C GLU A 24 -0.336 3.180 -7.039 1.00 11.14 C ATOM 375 O GLU A 24 -1.177 2.345 -7.100 1.00 10.62 O ATOM 376 CB GLU A 24 -0.551 5.599 -7.318 1.00 19.24 C ATOM 377 CG GLU A 24 -1.600 5.289 -8.458 1.00 27.76 C ATOM 378 CD GLU A 24 -1.757 6.360 -9.497 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.182 7.469 -9.260 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.385 6.088 -10.555 1.00 34.80 O ATOM 0 H GLU A 24 1.194 5.593 -5.511 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.258 4.386 -5.571 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.842 6.520 -6.812 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.423 5.779 -7.774 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.308 4.364 -8.955 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.571 5.110 -7.996 1.00 27.76 H new ATOM 387 N ASN A 25 0.811 2.862 -7.675 1.00 9.43 N ATOM 388 CA ASN A 25 1.025 1.660 -8.453 1.00 10.96 C ATOM 389 C ASN A 25 1.061 0.393 -7.641 1.00 9.68 C ATOM 390 O ASN A 25 0.677 -0.648 -8.141 1.00 9.33 O ATOM 391 CB ASN A 25 2.342 1.764 -9.316 1.00 16.78 C ATOM 392 CG ASN A 25 2.492 0.575 -10.322 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.166 -0.418 -10.054 1.00 25.66 O ATOM 394 ND2 ASN A 25 1.901 0.817 -11.565 1.00 24.70 N ATOM 0 H ASN A 25 1.632 3.467 -7.650 1.00 9.43 H new ATOM 0 HA ASN A 25 0.153 1.593 -9.103 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.339 2.704 -9.867 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.207 1.786 -8.653 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.016 0.145 -12.324 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.354 1.665 -11.713 1.00 24.70 H new ATOM 401 N VAL A 26 1.474 0.488 -6.352 1.00 6.52 N ATOM 402 CA VAL A 26 1.267 -0.582 -5.369 1.00 5.53 C ATOM 403 C VAL A 26 -0.135 -0.803 -5.145 1.00 4.42 C ATOM 404 O VAL A 26 -0.590 -1.939 -5.185 1.00 3.40 O ATOM 405 CB VAL A 26 2.048 -0.329 -4.045 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.838 -1.522 -3.111 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.585 -0.114 -4.238 1.00 8.12 C ATOM 0 H VAL A 26 1.955 1.305 -5.976 1.00 6.52 H new ATOM 0 HA VAL A 26 1.682 -1.499 -5.787 1.00 5.53 H new ATOM 0 HB VAL A 26 1.652 0.597 -3.628 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.381 -1.356 -2.180 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.775 -1.633 -2.896 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.208 -2.429 -3.590 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.053 0.055 -3.268 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.021 -0.999 -4.702 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.754 0.752 -4.879 1.00 8.12 H new ATOM 417 N LYS A 27 -1.001 0.229 -4.946 1.00 2.64 N ATOM 418 CA LYS A 27 -2.478 0.011 -4.847 1.00 4.14 C ATOM 419 C LYS A 27 -3.072 -0.602 -6.085 1.00 5.58 C ATOM 420 O LYS A 27 -4.011 -1.338 -5.946 1.00 4.11 O ATOM 421 CB LYS A 27 -3.190 1.270 -4.349 1.00 3.97 C ATOM 422 CG LYS A 27 -2.878 1.602 -2.840 1.00 7.45 C ATOM 423 CD LYS A 27 -3.629 2.794 -2.313 1.00 9.02 C ATOM 424 CE LYS A 27 -3.020 4.145 -2.769 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.797 5.348 -2.236 1.00 15.47 N ATOM 0 H LYS A 27 -0.713 1.203 -4.852 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.649 -0.748 -4.084 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.895 2.116 -4.969 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.266 1.144 -4.472 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.120 0.733 -2.229 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.808 1.781 -2.731 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.666 2.739 -2.645 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.641 2.756 -1.224 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.986 4.206 -2.431 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.002 4.182 -3.858 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.648 6.163 -2.864 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.811 5.119 -2.201 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.462 5.582 -1.280 1.00 15.47 H new ATOM 439 N ALA A 28 -2.520 -0.325 -7.285 1.00 6.61 N ATOM 440 CA ALA A 28 -2.915 -0.953 -8.507 1.00 7.74 C ATOM 441 C ALA A 28 -2.790 -2.507 -8.506 1.00 9.17 C ATOM 442 O ALA A 28 -3.618 -3.219 -9.082 1.00 11.45 O ATOM 443 CB ALA A 28 -2.214 -0.430 -9.750 1.00 7.68 C ATOM 0 H ALA A 28 -1.774 0.360 -7.405 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.969 -0.678 -8.555 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.579 -0.966 -10.626 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.421 0.634 -9.864 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.139 -0.582 -9.653 1.00 7.68 H new ATOM 449 N LYS A 29 -1.717 -2.937 -7.797 1.00 8.96 N ATOM 450 CA LYS A 29 -1.448 -4.377 -7.577 1.00 7.90 C ATOM 451 C LYS A 29 -2.406 -4.943 -6.490 1.00 6.92 C ATOM 452 O LYS A 29 -2.840 -6.082 -6.624 1.00 6.87 O ATOM 453 CB LYS A 29 -0.040 -4.639 -7.039 1.00 10.28 C ATOM 454 CG LYS A 29 1.054 -4.019 -7.847 1.00 14.94 C ATOM 455 CD LYS A 29 2.508 -4.184 -7.378 1.00 19.69 C ATOM 456 CE LYS A 29 3.552 -3.398 -8.150 1.00 22.63 C ATOM 457 NZ LYS A 29 3.813 -3.965 -9.536 1.00 24.98 N ATOM 0 H LYS A 29 -1.031 -2.313 -7.372 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.581 -4.849 -8.551 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.021 -4.263 -6.018 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.124 -5.716 -6.993 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.986 -4.422 -8.858 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.849 -2.951 -7.915 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.565 -3.893 -6.329 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.767 -5.241 -7.430 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.225 -2.362 -8.242 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.484 -3.389 -7.585 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.533 -3.389 -10.017 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.152 -4.945 -9.452 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.932 -3.950 -10.089 1.00 24.98 H new ATOM 471 N ILE A 30 -2.730 -4.176 -5.412 1.00 4.57 N ATOM 472 CA ILE A 30 -3.749 -4.664 -4.411 1.00 5.58 C ATOM 473 C ILE A 30 -5.154 -4.776 -5.000 1.00 7.26 C ATOM 474 O ILE A 30 -5.902 -5.690 -4.682 1.00 9.46 O ATOM 475 CB ILE A 30 -3.631 -3.865 -3.039 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.284 -4.060 -2.442 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.826 -4.172 -2.025 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.117 -3.229 -1.109 1.00 2.00 C ATOM 0 H ILE A 30 -2.329 -3.260 -5.210 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.515 -5.697 -4.154 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.739 -2.804 -3.264 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.126 -5.118 -2.235 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.520 -3.758 -3.158 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.685 -3.596 -1.111 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.774 -3.895 -2.486 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.836 -5.235 -1.786 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.121 -3.395 -0.699 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.250 -2.168 -1.322 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.865 -3.550 -0.384 1.00 2.00 H new ATOM 490 N GLN A 31 -5.504 -3.944 -5.981 1.00 7.06 N ATOM 491 CA GLN A 31 -6.719 -4.239 -6.706 1.00 8.67 C ATOM 492 C GLN A 31 -6.557 -5.501 -7.538 1.00 10.90 C ATOM 493 O GLN A 31 -7.460 -6.268 -7.610 1.00 9.63 O ATOM 494 CB GLN A 31 -7.088 -3.154 -7.767 1.00 9.12 C ATOM 495 CG GLN A 31 -8.239 -3.476 -8.741 1.00 10.76 C ATOM 496 CD GLN A 31 -8.523 -2.166 -9.551 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.606 -1.523 -10.084 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.797 -1.795 -9.673 1.00 14.76 N ATOM 0 H GLN A 31 -4.993 -3.111 -6.273 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.480 -4.313 -5.930 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.343 -2.237 -7.236 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.196 -2.943 -8.357 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.964 -4.292 -9.409 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.128 -3.795 -8.197 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.532 -2.341 -9.225 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.037 -0.965 -10.215 1.00 14.76 H new ATOM 507 N ASP A 32 -5.424 -5.727 -8.198 1.00 10.93 N ATOM 508 CA ASP A 32 -5.143 -6.904 -8.987 1.00 14.01 C ATOM 509 C ASP A 32 -5.264 -8.142 -8.153 1.00 14.04 C ATOM 510 O ASP A 32 -5.881 -9.148 -8.551 1.00 13.39 O ATOM 511 CB ASP A 32 -3.772 -6.814 -9.694 1.00 18.01 C ATOM 512 CG ASP A 32 -3.737 -7.574 -10.986 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.377 -7.115 -11.974 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.037 -8.647 -11.043 1.00 25.17 O ATOM 0 H ASP A 32 -4.650 -5.062 -8.192 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.892 -6.961 -9.777 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.535 -5.768 -9.886 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.999 -7.199 -9.029 1.00 18.01 H new ATOM 519 N LYS A 33 -4.666 -8.142 -6.883 1.00 14.22 N ATOM 520 CA LYS A 33 -4.842 -9.204 -5.968 1.00 14.00 C ATOM 521 C LYS A 33 -6.252 -9.431 -5.436 1.00 12.37 C ATOM 522 O LYS A 33 -6.721 -10.566 -5.509 1.00 12.17 O ATOM 523 CB LYS A 33 -3.933 -9.009 -4.740 1.00 18.62 C ATOM 524 CG LYS A 33 -2.436 -9.042 -5.065 1.00 24.00 C ATOM 525 CD LYS A 33 -1.782 -10.406 -5.088 1.00 27.61 C ATOM 526 CE LYS A 33 -0.284 -10.367 -5.421 1.00 27.64 C ATOM 527 NZ LYS A 33 0.315 -11.698 -5.035 1.00 30.06 N ATOM 0 H LYS A 33 -4.072 -7.388 -6.538 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.589 -10.079 -6.567 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.172 -8.055 -4.271 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.154 -9.787 -4.009 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.288 -8.576 -6.039 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.914 -8.425 -4.333 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.917 -10.880 -4.116 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.292 -11.031 -5.821 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.135 -10.176 -6.484 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.206 -9.557 -4.880 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.953 -12.023 -5.789 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.850 -11.594 -4.149 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.445 -12.395 -4.900 1.00 30.06 H new ATOM 541 N GLU A 34 -6.940 -8.409 -4.913 1.00 10.11 N ATOM 542 CA GLU A 34 -8.165 -8.581 -4.161 1.00 10.07 C ATOM 543 C GLU A 34 -9.392 -7.808 -4.685 1.00 9.32 C ATOM 544 O GLU A 34 -10.448 -7.963 -4.091 1.00 11.61 O ATOM 545 CB GLU A 34 -7.960 -8.057 -2.726 1.00 14.77 C ATOM 546 CG GLU A 34 -6.852 -8.811 -1.871 1.00 18.75 C ATOM 547 CD GLU A 34 -7.265 -10.256 -1.663 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.309 -10.508 -0.940 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.691 -11.208 -2.274 1.00 25.19 O ATOM 0 H GLU A 34 -6.650 -7.436 -5.007 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.369 -9.649 -4.241 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.696 -7.001 -2.778 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.910 -8.123 -2.195 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.891 -8.767 -2.383 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.723 -8.317 -0.908 1.00 18.75 H new ATOM 556 N GLY A 35 -9.350 -7.034 -5.763 1.00 7.22 N ATOM 557 CA GLY A 35 -10.602 -6.366 -6.247 1.00 6.29 C ATOM 558 C GLY A 35 -10.959 -5.060 -5.514 1.00 6.93 C ATOM 559 O GLY A 35 -11.976 -4.450 -5.687 1.00 7.41 O ATOM 0 H GLY A 35 -8.513 -6.844 -6.314 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.496 -6.152 -7.311 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.433 -7.064 -6.144 1.00 6.29 H new ATOM 563 N ILE A 36 -10.134 -4.570 -4.612 1.00 5.86 N ATOM 564 CA ILE A 36 -10.415 -3.380 -3.847 1.00 6.07 C ATOM 565 C ILE A 36 -10.181 -2.094 -4.639 1.00 6.36 C ATOM 566 O ILE A 36 -9.122 -2.075 -5.243 1.00 6.18 O ATOM 567 CB ILE A 36 -9.528 -3.340 -2.610 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.230 -4.765 -2.092 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.319 -2.471 -1.626 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.353 -4.725 -0.808 1.00 9.49 C ATOM 0 H ILE A 36 -9.235 -4.997 -4.389 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.470 -3.428 -3.579 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.537 -2.923 -2.790 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.166 -5.281 -1.880 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.719 -5.337 -2.867 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.762 -2.378 -0.694 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.473 -1.482 -2.057 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.285 -2.934 -1.427 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.160 -5.742 -0.467 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.407 -4.231 -1.029 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.877 -4.174 -0.027 1.00 9.49 H new ATOM 582 N PRO A 37 -11.067 -1.025 -4.706 1.00 8.65 N ATOM 583 CA PRO A 37 -10.807 0.063 -5.627 1.00 9.18 C ATOM 584 C PRO A 37 -9.552 0.914 -5.274 1.00 9.85 C ATOM 585 O PRO A 37 -9.420 1.231 -4.109 1.00 8.51 O ATOM 586 CB PRO A 37 -12.135 0.860 -5.641 1.00 11.42 C ATOM 587 CG PRO A 37 -13.213 -0.155 -5.274 1.00 9.27 C ATOM 588 CD PRO A 37 -12.459 -1.031 -4.228 1.00 8.33 C ATOM 0 HA PRO A 37 -10.539 -0.298 -6.620 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.108 1.682 -4.926 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.322 1.296 -6.622 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.099 0.320 -4.852 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.543 -0.735 -6.136 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.539 -0.614 -3.224 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.864 -2.042 -4.186 1.00 8.33 H new ATOM 596 N PRO A 38 -8.662 1.379 -6.166 1.00 8.71 N ATOM 597 CA PRO A 38 -7.340 1.887 -5.717 1.00 9.08 C ATOM 598 C PRO A 38 -7.416 3.299 -5.331 1.00 9.28 C ATOM 599 O PRO A 38 -6.504 3.778 -4.659 1.00 6.50 O ATOM 600 CB PRO A 38 -6.497 1.781 -6.987 1.00 10.31 C ATOM 601 CG PRO A 38 -7.428 1.724 -8.147 1.00 10.81 C ATOM 602 CD PRO A 38 -8.599 0.932 -7.563 1.00 12.00 C ATOM 0 HA PRO A 38 -6.954 1.341 -4.856 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.829 2.638 -7.075 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.870 0.890 -6.956 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.730 2.717 -8.479 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.982 1.223 -9.006 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.528 1.143 -8.093 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.429 -0.142 -7.632 1.00 12.00 H new ATOM 610 N ASP A 39 -8.481 4.029 -5.673 1.00 11.20 N ATOM 611 CA ASP A 39 -8.690 5.312 -5.030 1.00 14.96 C ATOM 612 C ASP A 39 -9.298 5.197 -3.640 1.00 13.99 C ATOM 613 O ASP A 39 -9.110 6.105 -2.888 1.00 13.75 O ATOM 614 CB ASP A 39 -9.587 6.138 -6.001 1.00 24.16 C ATOM 615 CG ASP A 39 -8.952 6.310 -7.387 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.983 7.074 -7.514 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.430 5.713 -8.364 1.00 35.55 O ATOM 0 H ASP A 39 -9.182 3.762 -6.364 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.735 5.807 -4.854 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.553 5.644 -6.107 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.777 7.120 -5.568 1.00 24.16 H new ATOM 622 N GLN A 40 -9.974 4.088 -3.268 1.00 11.60 N ATOM 623 CA GLN A 40 -10.609 3.774 -1.983 1.00 10.76 C ATOM 624 C GLN A 40 -9.566 3.485 -1.024 1.00 8.01 C ATOM 625 O GLN A 40 -9.578 3.964 0.100 1.00 8.96 O ATOM 626 CB GLN A 40 -11.680 2.602 -2.054 1.00 11.14 C ATOM 627 CG GLN A 40 -12.776 2.648 -0.956 1.00 14.85 C ATOM 628 CD GLN A 40 -13.674 1.454 -0.882 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.522 0.573 -0.038 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.572 1.360 -1.841 1.00 18.16 N ATOM 0 H GLN A 40 -10.097 3.321 -3.929 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.187 4.645 -1.673 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.164 2.631 -3.030 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.157 1.648 -1.985 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.290 2.774 0.011 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.392 3.532 -1.120 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.669 2.111 -2.524 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.170 0.536 -1.901 1.00 18.16 H new ATOM 639 N GLN A 41 -8.630 2.645 -1.452 1.00 6.52 N ATOM 640 CA GLN A 41 -7.428 2.254 -0.786 1.00 3.87 C ATOM 641 C GLN A 41 -6.495 3.355 -0.327 1.00 4.79 C ATOM 642 O GLN A 41 -6.129 4.217 -1.131 1.00 6.34 O ATOM 643 CB GLN A 41 -6.680 1.191 -1.505 1.00 4.20 C ATOM 644 CG GLN A 41 -7.312 -0.118 -1.783 1.00 3.20 C ATOM 645 CD GLN A 41 -6.243 -0.931 -2.624 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.122 -1.059 -2.174 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.612 -1.321 -3.886 1.00 7.13 N ATOM 0 H GLN A 41 -8.718 2.188 -2.359 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.827 1.845 0.142 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.370 1.608 -2.463 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.772 0.995 -0.934 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.562 -0.638 -0.858 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.240 0.004 -2.341 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.572 -1.184 -4.202 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.926 -1.748 -4.509 1.00 7.13 H new ATOM 656 N ARG A 42 -6.072 3.332 0.936 1.00 5.73 N ATOM 657 CA ARG A 42 -5.017 4.105 1.546 1.00 6.97 C ATOM 658 C ARG A 42 -4.060 3.161 2.218 1.00 7.15 C ATOM 659 O ARG A 42 -4.403 2.169 2.831 1.00 7.33 O ATOM 660 CB ARG A 42 -5.635 5.115 2.570 1.00 13.23 C ATOM 661 CG ARG A 42 -6.461 6.216 1.819 1.00 21.27 C ATOM 662 CD ARG A 42 -7.255 7.123 2.791 1.00 26.14 C ATOM 663 NE ARG A 42 -7.991 8.046 1.952 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.724 9.097 2.382 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.083 9.172 3.637 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.912 10.132 1.636 1.00 36.39 N ATOM 0 H ARG A 42 -6.509 2.708 1.614 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.475 4.679 0.794 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.278 4.584 3.272 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.842 5.581 3.155 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.786 6.830 1.223 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.153 5.738 1.125 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.930 6.535 3.412 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.585 7.656 3.465 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.953 7.889 0.945 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.810 8.438 4.290 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.636 9.965 3.963 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.504 10.168 0.702 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.469 10.914 1.980 1.00 36.39 H new ATOM 680 N LEU A 43 -2.745 3.417 2.079 1.00 4.65 N ATOM 681 CA LEU A 43 -1.659 2.706 2.673 1.00 3.51 C ATOM 682 C LEU A 43 -0.987 3.413 3.837 1.00 5.56 C ATOM 683 O LEU A 43 -0.491 4.522 3.710 1.00 4.19 O ATOM 684 CB LEU A 43 -0.546 2.199 1.718 1.00 3.74 C ATOM 685 CG LEU A 43 -1.048 1.029 0.692 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.132 1.028 -0.449 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.146 -0.292 1.440 1.00 6.41 C ATOM 0 H LEU A 43 -2.418 4.190 1.499 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.205 1.835 3.036 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.165 3.040 1.139 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.285 1.818 2.312 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.050 1.206 0.301 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.435 0.258 -1.158 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.158 2.002 -0.938 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.881 0.823 -0.102 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.481 -1.073 0.757 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.168 -0.556 1.842 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.860 -0.195 2.258 1.00 6.41 H new ATOM 699 N ILE A 44 -0.975 2.740 5.014 1.00 4.58 N ATOM 700 CA ILE A 44 -0.342 3.136 6.213 1.00 5.55 C ATOM 701 C ILE A 44 0.986 2.373 6.499 1.00 5.46 C ATOM 702 O ILE A 44 1.146 1.161 6.393 1.00 6.04 O ATOM 703 CB ILE A 44 -1.257 3.055 7.436 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.733 3.531 7.165 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.616 3.829 8.580 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.889 4.973 6.790 1.00 13.90 C ATOM 0 H ILE A 44 -1.454 1.845 5.115 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.095 4.184 6.042 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.356 2.003 7.704 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.152 2.919 6.366 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.327 3.340 8.059 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.259 3.779 9.459 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.355 3.393 8.816 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.484 4.870 8.286 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.944 5.194 6.626 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.507 5.602 7.595 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.330 5.174 5.876 1.00 13.90 H new ATOM 718 N PHE A 45 2.079 3.090 6.850 1.00 6.75 N ATOM 719 CA PHE A 45 3.249 2.363 7.213 1.00 4.70 C ATOM 720 C PHE A 45 3.755 2.886 8.521 1.00 6.34 C ATOM 721 O PHE A 45 4.128 3.984 8.625 1.00 5.45 O ATOM 722 CB PHE A 45 4.326 2.349 6.104 1.00 5.51 C ATOM 723 CG PHE A 45 5.542 1.525 6.387 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.447 0.170 6.705 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.756 2.239 6.488 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.686 -0.498 7.006 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.901 1.637 6.952 1.00 6.64 C ATOM 728 CZ PHE A 45 7.854 0.250 7.182 1.00 6.84 C ATOM 0 H PHE A 45 2.148 4.107 6.880 1.00 6.75 H new ATOM 0 HA PHE A 45 2.985 1.312 7.334 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.869 1.984 5.184 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.641 3.376 5.917 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.499 -0.348 6.724 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.785 3.278 6.195 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.713 -1.574 7.096 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.801 2.206 7.133 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.752 -0.255 7.506 1.00 6.84 H new ATOM 738 N ALA A 46 3.668 2.053 9.566 1.00 6.53 N ATOM 739 CA ALA A 46 3.927 2.300 10.955 1.00 7.15 C ATOM 740 C ALA A 46 3.296 3.546 11.522 1.00 9.00 C ATOM 741 O ALA A 46 3.945 4.348 12.220 1.00 11.15 O ATOM 742 CB ALA A 46 5.407 2.152 11.215 1.00 8.99 C ATOM 0 H ALA A 46 3.380 1.085 9.421 1.00 6.53 H new ATOM 0 HA ALA A 46 3.404 1.537 11.531 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.612 2.338 12.269 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.722 1.141 10.957 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.957 2.870 10.606 1.00 8.99 H new ATOM 748 N GLY A 47 2.004 3.690 11.358 1.00 9.35 N ATOM 749 CA GLY A 47 1.164 4.786 11.918 1.00 11.68 C ATOM 750 C GLY A 47 1.240 5.993 11.034 1.00 11.14 C ATOM 751 O GLY A 47 0.640 6.991 11.348 1.00 13.93 O ATOM 0 H GLY A 47 1.458 3.027 10.808 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.130 4.454 12.006 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.504 5.039 12.922 1.00 11.68 H new ATOM 755 N LYS A 48 1.967 5.884 9.880 1.00 10.47 N ATOM 756 CA LYS A 48 2.121 6.984 8.987 1.00 8.82 C ATOM 757 C LYS A 48 1.412 6.696 7.704 1.00 7.68 C ATOM 758 O LYS A 48 1.745 5.763 7.023 1.00 6.47 O ATOM 759 CB LYS A 48 3.613 7.279 8.745 1.00 9.74 C ATOM 760 CG LYS A 48 3.902 8.564 7.887 1.00 14.14 C ATOM 761 CD LYS A 48 5.404 8.788 7.648 1.00 16.32 C ATOM 762 CE LYS A 48 5.773 9.762 6.444 1.00 20.04 C ATOM 763 NZ LYS A 48 7.215 10.041 6.378 1.00 23.92 N ATOM 0 H LYS A 48 2.439 5.030 9.583 1.00 10.47 H new ATOM 0 HA LYS A 48 1.677 7.873 9.435 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.109 7.385 9.710 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.063 6.419 8.248 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.394 8.477 6.927 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.484 9.435 8.391 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.843 9.188 8.562 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.872 7.821 7.466 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.448 9.315 5.505 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.228 10.699 6.557 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.409 10.679 5.580 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.522 10.491 7.264 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.735 9.150 6.244 1.00 23.92 H new ATOM 777 N GLN A 49 0.405 7.509 7.373 1.00 8.89 N ATOM 778 CA GLN A 49 -0.204 7.368 6.121 1.00 7.18 C ATOM 779 C GLN A 49 0.628 7.847 4.950 1.00 8.23 C ATOM 780 O GLN A 49 1.073 8.995 4.902 1.00 9.70 O ATOM 781 CB GLN A 49 -1.555 8.199 6.092 1.00 11.67 C ATOM 782 CG GLN A 49 -2.369 7.931 4.809 1.00 15.82 C ATOM 783 CD GLN A 49 -3.751 8.468 5.013 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.683 7.742 5.009 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.870 9.798 5.199 1.00 20.67 N ATOM 0 H GLN A 49 0.026 8.247 7.966 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.356 6.295 6.003 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.157 7.943 6.964 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.328 9.263 6.162 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.897 8.411 3.952 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.404 6.862 4.597 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.039 10.390 5.195 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.791 10.212 5.343 1.00 20.67 H new ATOM 794 N LEU A 50 0.857 7.010 3.965 1.00 6.51 N ATOM 795 CA LEU A 50 1.661 7.291 2.783 1.00 7.41 C ATOM 796 C LEU A 50 0.832 8.006 1.703 1.00 8.27 C ATOM 797 O LEU A 50 -0.432 7.964 1.661 1.00 8.34 O ATOM 798 CB LEU A 50 2.122 5.996 2.108 1.00 7.13 C ATOM 799 CG LEU A 50 2.836 5.020 3.088 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.433 3.740 2.423 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.995 5.697 3.849 1.00 9.11 C ATOM 0 H LEU A 50 0.471 6.066 3.960 1.00 6.51 H new ATOM 0 HA LEU A 50 2.496 7.897 3.134 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.259 5.495 1.669 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.799 6.240 1.290 1.00 7.13 H new ATOM 0 HG LEU A 50 2.030 4.726 3.760 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.909 3.123 3.185 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.635 3.173 1.943 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.172 4.029 1.676 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.461 4.975 4.520 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.735 6.060 3.136 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.609 6.535 4.430 1.00 9.11 H new ATOM 813 N GLU A 51 1.550 8.717 0.863 1.00 9.43 N ATOM 814 CA GLU A 51 1.076 9.621 -0.161 1.00 11.90 C ATOM 815 C GLU A 51 1.407 9.032 -1.515 1.00 11.49 C ATOM 816 O GLU A 51 2.460 8.418 -1.723 1.00 9.88 O ATOM 817 CB GLU A 51 1.761 10.979 -0.034 1.00 16.56 C ATOM 818 CG GLU A 51 1.471 11.641 1.352 1.00 26.06 C ATOM 819 CD GLU A 51 1.982 13.084 1.202 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.153 13.323 1.456 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.214 13.909 0.630 1.00 33.44 O ATOM 0 H GLU A 51 2.569 8.674 0.881 1.00 9.43 H new ATOM 0 HA GLU A 51 0.000 9.756 -0.049 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.837 10.858 -0.162 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.417 11.637 -0.832 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.407 11.619 1.588 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.987 11.119 2.158 1.00 26.06 H new ATOM 828 N ASP A 52 0.323 9.082 -2.413 1.00 12.71 N ATOM 829 CA ASP A 52 0.178 8.282 -3.588 1.00 16.56 C ATOM 830 C ASP A 52 1.306 8.324 -4.589 1.00 15.83 C ATOM 831 O ASP A 52 1.737 7.313 -5.149 1.00 17.21 O ATOM 832 CB ASP A 52 -1.126 8.768 -4.216 1.00 21.05 C ATOM 833 CG ASP A 52 -2.172 8.885 -3.104 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.171 9.976 -2.450 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.925 7.942 -2.846 1.00 28.37 O ATOM 0 H ASP A 52 -0.461 9.720 -2.276 1.00 12.71 H new ATOM 0 HA ASP A 52 0.184 7.232 -3.295 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.978 9.732 -4.703 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.462 8.071 -4.984 1.00 21.05 H new ATOM 840 N GLY A 53 1.794 9.566 -4.871 1.00 15.00 N ATOM 841 CA GLY A 53 2.895 9.787 -5.839 1.00 11.77 C ATOM 842 C GLY A 53 4.347 9.583 -5.361 1.00 11.10 C ATOM 843 O GLY A 53 5.268 9.847 -6.102 1.00 11.25 O ATOM 0 H GLY A 53 1.441 10.421 -4.441 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.729 9.123 -6.687 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.809 10.808 -6.212 1.00 11.77 H new ATOM 847 N ARG A 54 4.542 9.236 -4.094 1.00 8.53 N ATOM 848 CA ARG A 54 5.851 8.972 -3.506 1.00 9.05 C ATOM 849 C ARG A 54 6.226 7.567 -3.862 1.00 8.96 C ATOM 850 O ARG A 54 5.388 6.800 -4.321 1.00 11.60 O ATOM 851 CB ARG A 54 5.830 9.199 -1.932 1.00 7.97 C ATOM 852 CG ARG A 54 5.361 10.608 -1.455 1.00 9.62 C ATOM 853 CD ARG A 54 6.056 11.761 -2.110 1.00 12.20 C ATOM 854 NE ARG A 54 5.450 12.996 -1.497 1.00 18.23 N ATOM 855 CZ ARG A 54 4.387 13.641 -1.955 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.078 13.580 -3.261 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.730 14.497 -1.228 1.00 23.38 N ATOM 0 H ARG A 54 3.775 9.128 -3.430 1.00 8.53 H new ATOM 0 HA ARG A 54 6.595 9.665 -3.899 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.178 8.449 -1.485 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.833 9.021 -1.545 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.290 10.698 -1.636 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.509 10.678 -0.377 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.131 11.723 -1.934 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.909 11.746 -3.190 1.00 12.20 H new ATOM 0 HE ARG A 54 5.896 13.367 -0.658 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.661 13.038 -3.898 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.260 14.076 -3.615 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.029 14.690 -0.272 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.916 14.975 -1.614 1.00 23.38 H new ATOM 871 N THR A 55 7.451 7.171 -3.673 1.00 9.05 N ATOM 872 CA THR A 55 7.837 5.750 -3.913 1.00 9.03 C ATOM 873 C THR A 55 8.055 5.060 -2.627 1.00 8.15 C ATOM 874 O THR A 55 8.137 5.685 -1.560 1.00 5.91 O ATOM 875 CB THR A 55 9.135 5.545 -4.682 1.00 11.15 C ATOM 876 OG1 THR A 55 10.280 6.115 -4.101 1.00 11.95 O ATOM 877 CG2 THR A 55 9.080 6.148 -6.091 1.00 11.71 C ATOM 0 H THR A 55 8.211 7.775 -3.359 1.00 9.05 H new ATOM 0 HA THR A 55 7.008 5.358 -4.503 1.00 9.03 H new ATOM 0 HB THR A 55 9.220 4.458 -4.682 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.254 7.088 -4.214 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.029 5.975 -6.598 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.276 5.678 -6.657 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.896 7.220 -6.021 1.00 11.71 H new ATOM 885 N LEU A 56 8.174 3.681 -2.648 1.00 6.91 N ATOM 886 CA LEU A 56 8.630 2.854 -1.582 1.00 8.29 C ATOM 887 C LEU A 56 10.001 3.187 -1.115 1.00 8.05 C ATOM 888 O LEU A 56 10.247 3.370 0.100 1.00 10.17 O ATOM 889 CB LEU A 56 8.694 1.325 -1.994 1.00 6.60 C ATOM 890 CG LEU A 56 7.337 0.850 -2.354 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.345 -0.580 -2.946 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.448 0.722 -1.060 1.00 8.64 C ATOM 0 H LEU A 56 7.928 3.139 -3.476 1.00 6.91 H new ATOM 0 HA LEU A 56 7.900 3.036 -0.793 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.372 1.193 -2.837 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.091 0.732 -1.170 1.00 6.60 H new ATOM 0 HG LEU A 56 6.960 1.575 -3.076 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.326 -0.878 -3.192 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.956 -0.597 -3.849 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.759 -1.274 -2.215 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.453 0.372 -1.335 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.906 0.010 -0.373 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.369 1.695 -0.575 1.00 8.64 H new ATOM 904 N SER A 57 10.983 3.423 -2.054 1.00 8.92 N ATOM 905 CA SER A 57 12.364 3.916 -1.830 1.00 9.00 C ATOM 906 C SER A 57 12.456 5.207 -1.088 1.00 9.44 C ATOM 907 O SER A 57 13.230 5.361 -0.126 1.00 10.91 O ATOM 908 CB SER A 57 12.985 4.089 -3.206 1.00 10.32 C ATOM 909 OG SER A 57 14.374 4.363 -3.098 1.00 13.59 O ATOM 0 H SER A 57 10.804 3.259 -3.045 1.00 8.92 H new ATOM 0 HA SER A 57 12.881 3.190 -1.202 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.832 3.185 -3.796 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.489 4.903 -3.735 1.00 10.32 H new ATOM 0 HG SER A 57 14.757 4.470 -3.994 1.00 13.59 H new ATOM 915 N ASP A 58 11.581 6.205 -1.332 1.00 9.11 N ATOM 916 CA ASP A 58 11.512 7.451 -0.608 1.00 7.91 C ATOM 917 C ASP A 58 11.287 7.286 0.914 1.00 9.12 C ATOM 918 O ASP A 58 11.914 7.995 1.729 1.00 8.61 O ATOM 919 CB ASP A 58 10.316 8.316 -1.252 1.00 8.41 C ATOM 920 CG ASP A 58 10.608 8.864 -2.627 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.700 9.420 -2.954 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.719 8.632 -3.486 1.00 11.70 O ATOM 0 H ASP A 58 10.883 6.143 -2.073 1.00 9.11 H new ATOM 0 HA ASP A 58 12.477 7.949 -0.702 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.423 7.694 -1.305 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.086 9.147 -0.585 1.00 8.41 H new ATOM 927 N TYR A 59 10.475 6.221 1.326 1.00 7.97 N ATOM 928 CA TYR A 59 10.155 5.970 2.691 1.00 8.45 C ATOM 929 C TYR A 59 11.052 4.850 3.214 1.00 10.98 C ATOM 930 O TYR A 59 10.941 4.309 4.371 1.00 12.95 O ATOM 931 CB TYR A 59 8.654 5.497 2.763 1.00 7.94 C ATOM 932 CG TYR A 59 7.688 6.544 2.314 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.730 7.827 2.900 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.726 6.296 1.313 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.733 8.807 2.616 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.681 7.220 1.091 1.00 6.52 C ATOM 937 CZ TYR A 59 5.703 8.431 1.776 1.00 6.76 C ATOM 938 OH TYR A 59 4.580 9.293 1.518 1.00 7.63 O ATOM 0 H TYR A 59 10.058 5.553 0.677 1.00 7.97 H new ATOM 0 HA TYR A 59 10.303 6.869 3.289 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.530 4.607 2.146 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.419 5.209 3.788 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.534 8.072 3.578 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.788 5.399 0.715 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.781 9.799 3.039 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.881 6.991 0.403 1.00 6.52 H new ATOM 0 HH TYR A 59 4.791 10.203 1.814 1.00 7.63 H new ATOM 948 N ASN A 60 12.108 4.416 2.468 1.00 12.38 N ATOM 949 CA ASN A 60 13.172 3.543 2.790 1.00 13.94 C ATOM 950 C ASN A 60 12.722 2.139 3.070 1.00 14.16 C ATOM 951 O ASN A 60 13.154 1.503 4.032 1.00 14.26 O ATOM 952 CB ASN A 60 14.018 4.209 4.014 1.00 19.23 C ATOM 953 CG ASN A 60 14.367 5.629 3.624 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.059 5.833 2.608 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.867 6.638 4.355 1.00 24.09 N ATOM 0 H ASN A 60 12.203 4.740 1.506 1.00 12.38 H new ATOM 0 HA ASN A 60 13.824 3.432 1.923 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.431 4.200 4.932 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.923 3.634 4.209 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.050 7.604 4.084 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.304 6.439 5.182 1.00 24.09 H new ATOM 962 N ILE A 61 11.678 1.661 2.358 1.00 11.08 N ATOM 963 CA ILE A 61 10.927 0.500 2.907 1.00 11.78 C ATOM 964 C ILE A 61 11.740 -0.813 2.521 1.00 13.74 C ATOM 965 O ILE A 61 12.211 -0.977 1.372 1.00 14.60 O ATOM 966 CB ILE A 61 9.510 0.514 2.421 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.817 1.744 3.144 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.766 -0.794 2.886 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.376 1.867 2.667 1.00 11.42 C ATOM 0 H ILE A 61 11.349 2.026 1.464 1.00 11.08 H new ATOM 0 HA ILE A 61 10.846 0.541 3.993 1.00 11.78 H new ATOM 0 HB ILE A 61 9.473 0.579 1.334 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.843 1.606 4.225 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.363 2.662 2.927 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.737 -0.774 2.528 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.275 -1.667 2.478 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.770 -0.847 3.975 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.899 2.712 3.164 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.362 2.025 1.589 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.834 0.952 2.907 1.00 11.42 H new ATOM 981 N GLN A 62 11.956 -1.752 3.422 1.00 13.97 N ATOM 982 CA GLN A 62 12.798 -2.940 3.197 1.00 15.52 C ATOM 983 C GLN A 62 12.094 -4.204 2.673 1.00 13.94 C ATOM 984 O GLN A 62 10.880 -4.219 2.564 1.00 12.15 O ATOM 985 CB GLN A 62 13.510 -3.281 4.560 1.00 19.53 C ATOM 986 CG GLN A 62 14.243 -2.052 5.192 1.00 26.38 C ATOM 987 CD GLN A 62 15.458 -1.618 4.275 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.222 -2.413 3.660 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.586 -0.333 4.144 1.00 32.71 N ATOM 0 H GLN A 62 11.547 -1.721 4.356 1.00 13.97 H new ATOM 0 HA GLN A 62 13.482 -2.665 2.394 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.770 -3.658 5.266 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.231 -4.082 4.396 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.547 -1.221 5.305 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.602 -2.305 6.190 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.961 0.296 4.648 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.312 0.048 3.537 1.00 32.71 H new ATOM 998 N LYS A 63 12.835 -5.262 2.309 1.00 11.73 N ATOM 999 CA LYS A 63 12.192 -6.504 1.914 1.00 11.97 C ATOM 1000 C LYS A 63 11.590 -7.121 3.178 1.00 10.41 C ATOM 1001 O LYS A 63 12.081 -7.071 4.314 1.00 9.59 O ATOM 1002 CB LYS A 63 13.237 -7.461 1.195 1.00 13.73 C ATOM 1003 CG LYS A 63 14.218 -8.238 2.161 1.00 16.98 C ATOM 1004 CD LYS A 63 15.253 -9.048 1.377 1.00 20.19 C ATOM 1005 CE LYS A 63 16.083 -9.904 2.301 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.345 -11.168 2.742 1.00 25.97 N ATOM 0 H LYS A 63 13.855 -5.275 2.283 1.00 11.73 H new ATOM 0 HA LYS A 63 11.397 -6.334 1.188 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.687 -8.190 0.600 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.832 -6.866 0.502 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.728 -7.528 2.812 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.644 -8.905 2.804 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.748 -9.680 0.646 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.902 -8.373 0.820 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.009 -10.184 1.799 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.360 -9.322 3.180 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.955 -11.723 3.375 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.474 -10.904 3.245 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.103 -11.738 1.907 1.00 25.97 H new ATOM 1020 N GLU A 64 10.392 -7.747 2.930 1.00 10.04 N ATOM 1021 CA GLU A 64 9.733 -8.605 3.936 1.00 10.94 C ATOM 1022 C GLU A 64 9.148 -7.843 5.138 1.00 9.74 C ATOM 1023 O GLU A 64 8.866 -8.304 6.279 1.00 9.42 O ATOM 1024 CB GLU A 64 10.656 -9.784 4.253 1.00 18.31 C ATOM 1025 CG GLU A 64 10.990 -10.590 2.973 1.00 24.16 C ATOM 1026 CD GLU A 64 11.858 -11.782 3.385 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.970 -11.595 3.926 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.468 -12.938 3.085 1.00 32.61 O ATOM 0 H GLU A 64 9.882 -7.666 2.051 1.00 10.04 H new ATOM 0 HA GLU A 64 8.818 -9.023 3.516 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.577 -9.417 4.706 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.179 -10.437 4.984 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.076 -10.932 2.488 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.518 -9.964 2.254 1.00 24.16 H new ATOM 1035 N SER A 65 8.920 -6.554 4.838 1.00 6.85 N ATOM 1036 CA SER A 65 8.336 -5.625 5.784 1.00 6.90 C ATOM 1037 C SER A 65 6.799 -5.658 5.665 1.00 4.72 C ATOM 1038 O SER A 65 6.263 -6.018 4.629 1.00 3.91 O ATOM 1039 CB SER A 65 8.907 -4.171 5.685 1.00 7.28 C ATOM 1040 OG SER A 65 8.721 -3.401 6.881 1.00 10.56 O ATOM 0 H SER A 65 9.139 -6.140 3.932 1.00 6.85 H new ATOM 0 HA SER A 65 8.624 -5.960 6.781 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.972 -4.222 5.457 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.427 -3.656 4.853 1.00 7.28 H new ATOM 0 HG SER A 65 9.099 -2.506 6.756 1.00 10.56 H new ATOM 1046 N THR A 66 6.105 -5.243 6.720 1.00 4.48 N ATOM 1047 CA THR A 66 4.661 -5.238 6.790 1.00 3.80 C ATOM 1048 C THR A 66 4.126 -3.801 6.682 1.00 4.60 C ATOM 1049 O THR A 66 4.554 -2.876 7.310 1.00 5.33 O ATOM 1050 CB THR A 66 4.168 -5.905 7.994 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.580 -7.287 8.059 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.610 -5.862 8.095 1.00 3.40 C ATOM 0 H THR A 66 6.550 -4.893 7.569 1.00 4.48 H new ATOM 0 HA THR A 66 4.284 -5.810 5.942 1.00 3.80 H new ATOM 0 HB THR A 66 4.605 -5.353 8.826 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.231 -7.694 8.879 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.290 -6.370 9.005 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.276 -4.825 8.121 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.175 -6.361 7.229 1.00 3.40 H new ATOM 1060 N LEU A 67 3.154 -3.516 5.821 1.00 4.17 N ATOM 1061 CA LEU A 67 2.407 -2.314 5.659 1.00 3.85 C ATOM 1062 C LEU A 67 0.982 -2.611 6.118 1.00 3.80 C ATOM 1063 O LEU A 67 0.559 -3.773 6.143 1.00 5.54 O ATOM 1064 CB LEU A 67 2.321 -2.021 4.147 1.00 7.18 C ATOM 1065 CG LEU A 67 3.556 -1.418 3.568 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.821 -2.293 3.540 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.416 -0.710 2.254 1.00 11.66 C ATOM 0 H LEU A 67 2.850 -4.220 5.149 1.00 4.17 H new ATOM 0 HA LEU A 67 2.859 -1.489 6.209 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.103 -2.950 3.620 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.483 -1.348 3.966 1.00 7.18 H new ATOM 0 HG LEU A 67 3.706 -0.659 4.336 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.642 -1.731 3.094 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.088 -2.580 4.557 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.631 -3.189 2.949 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.386 -0.319 1.946 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.051 -1.409 1.501 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.709 0.113 2.358 1.00 11.66 H new ATOM 1079 N HIS A 68 0.199 -1.547 6.427 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.203 -1.651 6.837 1.00 4.17 C ATOM 1081 C HIS A 68 -2.150 -1.061 5.742 1.00 5.32 C ATOM 1082 O HIS A 68 -1.987 0.064 5.358 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.459 -1.025 8.201 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.974 -2.006 9.255 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.318 -2.083 9.746 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.594 -2.987 9.955 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.405 -3.040 10.704 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.714 -3.645 10.838 1.00 16.30 N ATOM 0 H HIS A 68 0.538 -0.586 6.394 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.429 -2.712 6.941 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.933 -0.075 8.291 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.520 -0.815 8.333 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.640 -3.235 9.849 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.295 -3.260 11.274 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.924 -4.433 11.451 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.218 -1.718 5.267 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.110 -1.121 4.295 1.00 3.97 C ATOM 1098 C LEU A 69 -5.289 -0.558 5.079 1.00 5.07 C ATOM 1099 O LEU A 69 -5.924 -1.305 5.821 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.669 -2.177 3.309 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.376 -1.608 2.105 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.433 -0.868 1.170 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.072 -2.731 1.311 1.00 9.96 C ATOM 0 H LEU A 69 -3.475 -2.664 5.548 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.570 -0.367 3.723 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.846 -2.805 2.966 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.362 -2.825 3.847 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.109 -0.897 2.486 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -4.994 -0.479 0.320 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -3.965 -0.042 1.705 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.663 -1.552 0.814 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.578 -2.304 0.445 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.329 -3.455 0.977 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.802 -3.229 1.949 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.709 0.652 4.781 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.958 1.248 5.301 1.00 6.26 C ATOM 1117 C VAL A 70 -7.884 1.734 4.131 1.00 9.22 C ATOM 1118 O VAL A 70 -7.337 1.967 3.050 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.822 2.292 6.421 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.986 1.690 7.522 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.281 3.595 5.845 1.00 8.54 C ATOM 0 H VAL A 70 -5.194 1.276 4.159 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.442 0.422 5.821 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.784 2.554 6.862 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.874 2.412 8.331 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.476 0.793 7.902 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.003 1.429 7.131 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.186 4.333 6.641 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.304 3.417 5.397 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.966 3.969 5.084 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.186 1.962 4.339 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.111 2.436 3.345 1.00 16.06 C ATOM 1133 C LEU A 71 -10.681 3.708 3.606 1.00 18.09 C ATOM 1134 O LEU A 71 -10.992 4.071 4.771 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.371 1.496 3.159 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.895 0.043 2.863 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.067 -0.968 2.761 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.994 -0.110 1.629 1.00 19.57 C ATOM 0 H LEU A 71 -9.626 1.810 5.247 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.467 2.467 2.466 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.986 1.512 4.059 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.992 1.860 2.341 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.285 -0.190 3.736 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.672 -1.963 2.554 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.616 -0.985 3.702 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.737 -0.668 1.955 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.717 -1.157 1.509 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.531 0.227 0.742 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.094 0.491 1.759 1.00 19.57 H new