USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -44:sc= 0.518 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.59 K(o=2.1,f=-5.9!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.238 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.022) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.27 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.000632 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.108 USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.22 (180deg=0.811) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0158) USER MOD Single : A 31 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00245) USER MOD Single : A 40 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= -0.168 K(o=-0.17,f=-3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -15:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.751 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc=-0.00642 (180deg=-0.149) USER MOD Single : A 65 SER OG : rot 106:sc= 0.164 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.144 K(o=0.14,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.875 -6.726 -4.784 1.00 9.67 N ATOM 2 CA MET A 1 11.623 -7.044 -3.341 1.00 10.38 C ATOM 3 C MET A 1 10.208 -7.417 -2.974 1.00 9.62 C ATOM 4 O MET A 1 9.259 -6.981 -3.652 1.00 9.62 O ATOM 5 CB MET A 1 12.171 -5.972 -2.352 1.00 13.77 C ATOM 6 CG MET A 1 11.489 -4.675 -2.457 1.00 16.29 C ATOM 7 SD MET A 1 12.166 -3.402 -1.343 1.00 17.17 S ATOM 8 CE MET A 1 10.569 -2.552 -1.182 1.00 16.11 C ATOM 0 H1 MET A 1 12.661 -6.049 -4.858 1.00 9.67 H new ATOM 0 H2 MET A 1 12.121 -7.598 -5.294 1.00 9.67 H new ATOM 0 H3 MET A 1 11.019 -6.310 -5.202 1.00 9.67 H new ATOM 0 HA MET A 1 12.207 -7.957 -3.223 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.071 -6.345 -1.333 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.236 -5.830 -2.536 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.558 -4.320 -3.485 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.430 -4.812 -2.238 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.685 -1.679 -0.540 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.224 -2.235 -2.166 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.838 -3.231 -0.743 1.00 16.11 H new ATOM 20 N GLN A 2 10.003 -8.250 -1.912 1.00 9.27 N ATOM 21 CA GLN A 2 8.741 -8.731 -1.402 1.00 9.07 C ATOM 22 C GLN A 2 8.146 -7.811 -0.318 1.00 8.72 C ATOM 23 O GLN A 2 8.927 -7.331 0.528 1.00 8.22 O ATOM 24 CB GLN A 2 8.916 -10.239 -0.965 1.00 14.46 C ATOM 25 CG GLN A 2 7.597 -10.897 -0.449 1.00 17.01 C ATOM 26 CD GLN A 2 7.870 -12.349 -0.167 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.076 -12.742 1.013 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.903 -13.173 -1.243 1.00 19.49 N ATOM 0 H GLN A 2 10.789 -8.612 -1.371 1.00 9.27 H new ATOM 0 HA GLN A 2 7.988 -8.700 -2.190 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.291 -10.813 -1.812 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.672 -10.296 -0.181 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.250 -10.394 0.454 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.807 -10.797 -1.193 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.728 -12.800 -2.176 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.102 -14.166 -1.119 1.00 19.49 H new ATOM 37 N ILE A 3 6.824 -7.504 -0.310 1.00 5.87 N ATOM 38 CA ILE A 3 6.234 -6.722 0.743 1.00 5.07 C ATOM 39 C ILE A 3 5.023 -7.430 1.243 1.00 4.01 C ATOM 40 O ILE A 3 4.403 -8.187 0.538 1.00 4.61 O ATOM 41 CB ILE A 3 6.084 -5.220 0.494 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.082 -4.896 -0.655 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.486 -4.489 0.318 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.861 -3.408 -0.837 1.00 10.83 C ATOM 0 H ILE A 3 6.168 -7.798 -1.033 1.00 5.87 H new ATOM 0 HA ILE A 3 6.960 -6.668 1.554 1.00 5.07 H new ATOM 0 HB ILE A 3 5.640 -4.805 1.399 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.455 -5.320 -1.587 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.127 -5.378 -0.445 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.322 -3.426 0.144 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.081 -4.621 1.221 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.016 -4.919 -0.532 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.155 -3.242 -1.650 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.460 -2.984 0.084 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.809 -2.926 -1.076 1.00 10.83 H new ATOM 56 N PHE A 4 4.650 -7.103 2.496 1.00 4.55 N ATOM 57 CA PHE A 4 3.400 -7.580 3.108 1.00 4.68 C ATOM 58 C PHE A 4 2.406 -6.468 3.286 1.00 5.30 C ATOM 59 O PHE A 4 2.757 -5.325 3.593 1.00 5.58 O ATOM 60 CB PHE A 4 3.731 -8.207 4.508 1.00 4.83 C ATOM 61 CG PHE A 4 4.821 -9.198 4.484 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.875 -10.288 3.559 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.846 -9.206 5.478 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.955 -11.152 3.447 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.864 -10.150 5.445 1.00 10.61 C ATOM 66 CZ PHE A 4 6.936 -11.119 4.454 1.00 8.90 C ATOM 0 H PHE A 4 5.205 -6.504 3.107 1.00 4.55 H new ATOM 0 HA PHE A 4 2.955 -8.322 2.445 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.998 -7.407 5.198 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.832 -8.681 4.903 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.026 -10.448 2.910 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.829 -8.468 6.266 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.040 -11.830 2.611 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.622 -10.129 6.214 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.739 -11.842 4.456 1.00 8.90 H new ATOM 76 N VAL A 5 1.095 -6.714 3.017 1.00 4.44 N ATOM 77 CA VAL A 5 0.070 -5.749 3.140 1.00 3.87 C ATOM 78 C VAL A 5 -1.006 -6.311 4.027 1.00 4.93 C ATOM 79 O VAL A 5 -1.550 -7.383 3.765 1.00 6.84 O ATOM 80 CB VAL A 5 -0.515 -5.345 1.789 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.825 -4.536 1.946 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.498 -4.475 1.050 1.00 9.13 C ATOM 0 H VAL A 5 0.757 -7.624 2.704 1.00 4.44 H new ATOM 0 HA VAL A 5 0.496 -4.845 3.576 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.736 -6.258 1.236 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.208 -4.269 0.961 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.565 -5.140 2.471 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.626 -3.629 2.517 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.089 -4.181 0.083 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.711 -3.583 1.640 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.419 -5.038 0.898 1.00 9.13 H new ATOM 92 N LYS A 6 -1.343 -5.614 5.159 1.00 6.04 N ATOM 93 CA LYS A 6 -2.236 -6.204 6.162 1.00 6.12 C ATOM 94 C LYS A 6 -3.454 -5.426 6.429 1.00 6.57 C ATOM 95 O LYS A 6 -3.484 -4.234 6.682 1.00 5.76 O ATOM 96 CB LYS A 6 -1.395 -6.402 7.472 1.00 7.45 C ATOM 97 CG LYS A 6 -2.051 -7.470 8.315 1.00 11.12 C ATOM 98 CD LYS A 6 -1.323 -7.629 9.671 1.00 14.54 C ATOM 99 CE LYS A 6 -1.731 -8.755 10.612 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.919 -8.752 11.853 1.00 20.55 N ATOM 0 H LYS A 6 -1.012 -4.674 5.378 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.608 -7.151 5.771 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.374 -6.691 7.225 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.336 -5.466 8.028 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.096 -7.212 8.487 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.041 -8.419 7.779 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.260 -7.749 9.460 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.436 -6.691 10.215 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.786 -8.653 10.867 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.617 -9.713 10.105 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.224 -9.532 12.470 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.085 -8.875 11.611 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.047 -7.847 12.350 1.00 20.55 H new ATOM 114 N THR A 7 -4.630 -6.048 6.325 1.00 7.41 N ATOM 115 CA THR A 7 -5.952 -5.470 6.568 1.00 7.48 C ATOM 116 C THR A 7 -6.476 -5.699 7.954 1.00 8.75 C ATOM 117 O THR A 7 -5.769 -6.391 8.690 1.00 8.58 O ATOM 118 CB THR A 7 -7.065 -6.011 5.668 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.097 -7.429 5.636 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.823 -5.412 4.237 1.00 9.17 C ATOM 0 H THR A 7 -4.688 -7.029 6.052 1.00 7.41 H new ATOM 0 HA THR A 7 -5.750 -4.418 6.369 1.00 7.48 H new ATOM 0 HB THR A 7 -8.037 -5.712 6.059 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.824 -7.727 5.050 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.595 -5.771 3.557 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.861 -4.324 4.287 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.845 -5.725 3.872 1.00 9.17 H new ATOM 128 N LEU A 8 -7.661 -5.235 8.403 1.00 9.84 N ATOM 129 CA LEU A 8 -8.170 -5.291 9.789 1.00 14.15 C ATOM 130 C LEU A 8 -8.260 -6.695 10.322 1.00 17.37 C ATOM 131 O LEU A 8 -8.053 -6.913 11.528 1.00 17.01 O ATOM 132 CB LEU A 8 -9.538 -4.586 9.946 1.00 16.63 C ATOM 133 CG LEU A 8 -9.594 -3.089 9.539 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.988 -2.524 9.842 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.485 -2.341 10.286 1.00 18.59 C ATOM 0 H LEU A 8 -8.325 -4.786 7.773 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.432 -4.750 10.382 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.272 -5.129 9.352 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.847 -4.669 10.988 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.426 -2.967 8.469 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.025 -1.473 9.555 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.737 -3.080 9.278 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.194 -2.617 10.908 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.509 -1.286 10.012 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.639 -2.440 11.360 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.517 -2.763 10.018 1.00 18.59 H new ATOM 147 N THR A 9 -8.612 -7.679 9.445 1.00 18.33 N ATOM 148 CA THR A 9 -9.060 -8.963 9.862 1.00 19.24 C ATOM 149 C THR A 9 -7.909 -9.874 10.050 1.00 19.48 C ATOM 150 O THR A 9 -8.046 -11.062 10.407 1.00 23.14 O ATOM 151 CB THR A 9 -9.958 -9.597 8.801 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.279 -9.436 7.559 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.319 -8.893 8.748 1.00 19.70 C ATOM 0 H THR A 9 -8.579 -7.564 8.432 1.00 18.33 H new ATOM 0 HA THR A 9 -9.607 -8.824 10.795 1.00 19.24 H new ATOM 0 HB THR A 9 -10.146 -10.647 9.026 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.815 -9.830 6.840 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.941 -9.361 7.986 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.809 -8.976 9.718 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.175 -7.841 8.503 1.00 19.70 H new ATOM 161 N GLY A 10 -6.730 -9.340 9.897 1.00 19.43 N ATOM 162 CA GLY A 10 -5.514 -10.031 9.936 1.00 18.74 C ATOM 163 C GLY A 10 -5.094 -10.703 8.641 1.00 17.62 C ATOM 164 O GLY A 10 -4.020 -11.287 8.620 1.00 19.74 O ATOM 0 H GLY A 10 -6.607 -8.341 9.732 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.731 -9.333 10.232 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.575 -10.791 10.715 1.00 18.74 H new ATOM 168 N LYS A 11 -5.818 -10.515 7.555 1.00 13.56 N ATOM 169 CA LYS A 11 -5.393 -11.019 6.319 1.00 11.91 C ATOM 170 C LYS A 11 -4.174 -10.248 5.834 1.00 10.18 C ATOM 171 O LYS A 11 -4.240 -9.036 5.562 1.00 9.10 O ATOM 172 CB LYS A 11 -6.596 -10.850 5.317 1.00 13.43 C ATOM 173 CG LYS A 11 -6.423 -11.423 3.897 1.00 16.69 C ATOM 174 CD LYS A 11 -7.667 -11.296 2.953 1.00 17.92 C ATOM 175 CE LYS A 11 -7.375 -12.026 1.666 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.428 -11.679 0.713 1.00 21.93 N ATOM 0 H LYS A 11 -6.704 -10.010 7.532 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.106 -12.068 6.397 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.474 -11.316 5.764 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.812 -9.785 5.226 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.579 -10.921 3.424 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.161 -12.478 3.981 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.550 -11.716 3.434 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.883 -10.247 2.752 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.397 -11.741 1.277 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.350 -13.103 1.834 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.284 -12.207 -0.171 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.355 -11.924 1.116 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.395 -10.658 0.516 1.00 21.93 H new ATOM 190 N THR A 12 -3.008 -10.906 5.577 1.00 9.63 N ATOM 191 CA THR A 12 -1.881 -10.276 4.932 1.00 9.85 C ATOM 192 C THR A 12 -1.724 -10.789 3.511 1.00 11.66 C ATOM 193 O THR A 12 -1.561 -12.014 3.326 1.00 12.33 O ATOM 194 CB THR A 12 -0.610 -10.651 5.611 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.778 -10.524 7.027 1.00 10.91 O ATOM 196 CG2 THR A 12 0.513 -9.716 5.210 1.00 9.63 C ATOM 0 H THR A 12 -2.850 -11.884 5.821 1.00 9.63 H new ATOM 0 HA THR A 12 -2.065 -9.202 4.966 1.00 9.85 H new ATOM 0 HB THR A 12 -0.365 -11.674 5.324 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.056 -10.771 7.479 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.431 -10.010 5.719 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.663 -9.769 4.132 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.254 -8.695 5.490 1.00 9.63 H new ATOM 204 N ILE A 13 -1.778 -9.920 2.431 1.00 10.42 N ATOM 205 CA ILE A 13 -1.508 -10.298 1.086 1.00 11.84 C ATOM 206 C ILE A 13 -0.070 -9.942 0.852 1.00 10.55 C ATOM 207 O ILE A 13 0.461 -8.944 1.348 1.00 11.92 O ATOM 208 CB ILE A 13 -2.504 -9.665 0.098 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.368 -8.126 0.105 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.988 -10.095 0.350 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.148 -7.430 -0.983 1.00 16.46 C ATOM 0 H ILE A 13 -2.019 -8.934 2.530 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.650 -11.365 0.914 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.244 -10.045 -0.890 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.699 -7.748 1.072 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.314 -7.865 0.004 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.636 -9.612 -0.382 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.075 -11.177 0.253 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.288 -9.795 1.354 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.998 -6.353 -0.906 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.802 -7.776 -1.957 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.208 -7.657 -0.873 1.00 16.46 H new ATOM 223 N THR A 14 0.593 -10.783 0.027 1.00 9.39 N ATOM 224 CA THR A 14 2.045 -10.741 -0.145 1.00 9.63 C ATOM 225 C THR A 14 2.361 -10.332 -1.535 1.00 11.20 C ATOM 226 O THR A 14 1.866 -10.934 -2.463 1.00 11.63 O ATOM 227 CB THR A 14 2.714 -12.069 0.091 1.00 10.38 C ATOM 228 OG1 THR A 14 2.536 -12.347 1.458 1.00 16.30 O ATOM 229 CG2 THR A 14 4.190 -11.978 -0.161 1.00 11.66 C ATOM 0 H THR A 14 0.132 -11.502 -0.531 1.00 9.39 H new ATOM 0 HA THR A 14 2.419 -10.033 0.594 1.00 9.63 H new ATOM 0 HB THR A 14 2.293 -12.828 -0.568 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.952 -13.208 1.674 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.650 -12.950 0.016 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.365 -11.677 -1.194 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.629 -11.241 0.511 1.00 11.66 H new ATOM 237 N LEU A 15 3.172 -9.279 -1.818 1.00 8.29 N ATOM 238 CA LEU A 15 3.255 -8.735 -3.134 1.00 9.03 C ATOM 239 C LEU A 15 4.755 -8.608 -3.474 1.00 8.59 C ATOM 240 O LEU A 15 5.634 -8.734 -2.628 1.00 7.79 O ATOM 241 CB LEU A 15 2.653 -7.275 -3.197 1.00 11.08 C ATOM 242 CG LEU A 15 1.184 -7.156 -2.743 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.952 -5.614 -2.467 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.168 -7.631 -3.848 1.00 15.27 C ATOM 0 H LEU A 15 3.764 -8.814 -1.130 1.00 8.29 H new ATOM 0 HA LEU A 15 2.704 -9.380 -3.818 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.264 -6.619 -2.576 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.732 -6.909 -4.221 1.00 11.08 H new ATOM 0 HG LEU A 15 1.013 -7.787 -1.871 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.075 -5.454 -2.139 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.638 -5.276 -1.690 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.133 -5.049 -3.382 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.851 -7.526 -3.475 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.292 -7.021 -4.743 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.359 -8.676 -4.092 1.00 15.27 H new ATOM 256 N GLU A 16 5.127 -8.349 -4.743 1.00 11.04 N ATOM 257 CA GLU A 16 6.477 -8.149 -5.218 1.00 11.50 C ATOM 258 C GLU A 16 6.482 -6.767 -5.729 1.00 10.13 C ATOM 259 O GLU A 16 5.586 -6.415 -6.483 1.00 9.83 O ATOM 260 CB GLU A 16 7.033 -9.195 -6.243 1.00 17.22 C ATOM 261 CG GLU A 16 8.506 -8.972 -6.697 1.00 23.33 C ATOM 262 CD GLU A 16 8.975 -10.161 -7.512 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.414 -10.261 -8.668 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.722 -11.051 -7.059 1.00 28.90 O ATOM 0 H GLU A 16 4.441 -8.273 -5.494 1.00 11.04 H new ATOM 0 HA GLU A 16 7.178 -8.309 -4.399 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.954 -10.188 -5.801 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.394 -9.187 -7.126 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.580 -8.060 -7.290 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.149 -8.839 -5.827 1.00 23.33 H new ATOM 271 N VAL A 17 7.495 -5.964 -5.362 1.00 8.99 N ATOM 272 CA VAL A 17 7.649 -4.607 -5.796 1.00 8.85 C ATOM 273 C VAL A 17 9.055 -4.268 -6.057 1.00 8.04 C ATOM 274 O VAL A 17 9.891 -5.065 -5.699 1.00 8.99 O ATOM 275 CB VAL A 17 7.120 -3.563 -4.770 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.580 -3.712 -4.679 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.758 -3.759 -3.348 1.00 10.54 C ATOM 0 H VAL A 17 8.240 -6.271 -4.736 1.00 8.99 H new ATOM 0 HA VAL A 17 7.056 -4.554 -6.709 1.00 8.85 H new ATOM 0 HB VAL A 17 7.397 -2.565 -5.111 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.186 -2.989 -3.965 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.138 -3.531 -5.659 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.331 -4.721 -4.349 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.360 -3.009 -2.664 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.517 -4.754 -2.975 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.840 -3.650 -3.417 1.00 10.54 H new ATOM 287 N GLU A 18 9.366 -3.111 -6.679 1.00 7.29 N ATOM 288 CA GLU A 18 10.645 -2.390 -6.553 1.00 7.08 C ATOM 289 C GLU A 18 10.607 -1.309 -5.440 1.00 6.45 C ATOM 290 O GLU A 18 9.543 -0.836 -5.073 1.00 5.28 O ATOM 291 CB GLU A 18 11.012 -1.706 -7.837 1.00 10.28 C ATOM 292 CG GLU A 18 11.348 -2.668 -8.937 1.00 12.65 C ATOM 293 CD GLU A 18 12.626 -3.272 -8.683 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.634 -2.654 -9.134 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.761 -4.396 -8.067 1.00 14.33 O ATOM 0 H GLU A 18 8.710 -2.640 -7.302 1.00 7.29 H new ATOM 0 HA GLU A 18 11.385 -3.148 -6.297 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.183 -1.074 -8.155 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.865 -1.050 -7.662 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.579 -3.438 -9.006 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.366 -2.148 -9.895 1.00 12.65 H new ATOM 302 N PRO A 19 11.656 -0.770 -4.920 1.00 7.24 N ATOM 303 CA PRO A 19 11.550 0.234 -3.871 1.00 7.07 C ATOM 304 C PRO A 19 11.346 1.629 -4.508 1.00 6.65 C ATOM 305 O PRO A 19 10.945 2.571 -3.852 1.00 6.37 O ATOM 306 CB PRO A 19 12.878 0.136 -3.125 1.00 7.61 C ATOM 307 CG PRO A 19 13.844 -0.279 -4.264 1.00 8.16 C ATOM 308 CD PRO A 19 12.984 -1.300 -5.011 1.00 7.49 C ATOM 0 HA PRO A 19 10.705 0.080 -3.200 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.164 1.085 -2.670 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.845 -0.604 -2.325 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.126 0.564 -4.895 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.768 -0.716 -3.884 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.301 -1.405 -6.049 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.051 -2.288 -4.555 1.00 7.49 H new ATOM 316 N SER A 20 11.455 1.702 -5.806 1.00 6.80 N ATOM 317 CA SER A 20 11.294 2.841 -6.661 1.00 6.28 C ATOM 318 C SER A 20 9.884 3.003 -7.212 1.00 8.45 C ATOM 319 O SER A 20 9.591 4.050 -7.814 1.00 7.26 O ATOM 320 CB SER A 20 12.316 2.693 -7.767 1.00 8.57 C ATOM 321 OG SER A 20 12.229 1.357 -8.290 1.00 11.13 O ATOM 0 H SER A 20 11.685 0.869 -6.348 1.00 6.80 H new ATOM 0 HA SER A 20 11.454 3.753 -6.085 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.129 3.422 -8.556 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.319 2.886 -7.385 1.00 8.57 H new ATOM 0 HG SER A 20 12.884 1.244 -9.010 1.00 11.13 H new ATOM 327 N ASP A 21 9.040 2.037 -6.992 1.00 7.50 N ATOM 328 CA ASP A 21 7.661 2.006 -7.278 1.00 7.70 C ATOM 329 C ASP A 21 6.938 3.059 -6.498 1.00 7.08 C ATOM 330 O ASP A 21 7.364 3.313 -5.370 1.00 8.11 O ATOM 331 CB ASP A 21 7.072 0.517 -6.993 1.00 11.00 C ATOM 332 CG ASP A 21 7.349 -0.447 -8.179 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.947 -0.046 -9.200 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.052 -1.626 -8.018 1.00 14.36 O ATOM 0 H ASP A 21 9.349 1.166 -6.561 1.00 7.50 H new ATOM 0 HA ASP A 21 7.504 2.229 -8.333 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.522 0.115 -6.085 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.998 0.578 -6.817 1.00 11.00 H new ATOM 339 N THR A 22 5.938 3.720 -7.063 1.00 5.37 N ATOM 340 CA THR A 22 5.142 4.678 -6.279 1.00 6.01 C ATOM 341 C THR A 22 4.115 3.906 -5.440 1.00 8.01 C ATOM 342 O THR A 22 3.851 2.701 -5.635 1.00 8.11 O ATOM 343 CB THR A 22 4.362 5.701 -7.098 1.00 8.92 C ATOM 344 OG1 THR A 22 3.634 5.241 -8.221 1.00 10.22 O ATOM 345 CG2 THR A 22 5.455 6.649 -7.636 1.00 9.65 C ATOM 0 H THR A 22 5.656 3.621 -8.038 1.00 5.37 H new ATOM 0 HA THR A 22 5.871 5.228 -5.684 1.00 6.01 H new ATOM 0 HB THR A 22 3.597 6.115 -6.441 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.186 4.614 -8.734 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.994 7.428 -8.243 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.984 7.106 -6.800 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.160 6.083 -8.245 1.00 9.65 H new ATOM 353 N ILE A 23 3.456 4.499 -4.478 1.00 8.32 N ATOM 354 CA ILE A 23 2.339 3.952 -3.781 1.00 9.92 C ATOM 355 C ILE A 23 1.136 3.682 -4.714 1.00 10.01 C ATOM 356 O ILE A 23 0.415 2.718 -4.542 1.00 8.71 O ATOM 357 CB ILE A 23 1.933 4.711 -2.561 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.159 5.107 -1.633 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.879 3.927 -1.754 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.141 4.038 -1.209 1.00 12.30 C ATOM 0 H ILE A 23 3.706 5.431 -4.147 1.00 8.32 H new ATOM 0 HA ILE A 23 2.696 2.991 -3.412 1.00 9.92 H new ATOM 0 HB ILE A 23 1.495 5.644 -2.915 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.723 5.884 -2.149 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.752 5.557 -0.727 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.598 4.499 -0.870 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.003 3.760 -2.373 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.295 2.967 -1.448 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.913 4.482 -0.580 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.617 3.264 -0.648 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.602 3.597 -2.092 1.00 12.30 H new ATOM 372 N GLU A 24 0.896 4.508 -5.753 1.00 9.54 N ATOM 373 CA GLU A 24 -0.188 4.235 -6.711 1.00 11.81 C ATOM 374 C GLU A 24 0.088 2.908 -7.497 1.00 11.14 C ATOM 375 O GLU A 24 -0.710 2.036 -7.896 1.00 10.62 O ATOM 376 CB GLU A 24 -0.335 5.460 -7.581 1.00 19.24 C ATOM 377 CG GLU A 24 -1.657 5.414 -8.387 1.00 27.76 C ATOM 378 CD GLU A 24 -1.716 6.491 -9.528 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.958 7.696 -9.257 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.545 6.041 -10.698 1.00 36.51 O ATOM 0 H GLU A 24 1.430 5.355 -5.946 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.141 4.060 -6.212 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.315 6.356 -6.960 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.510 5.527 -8.266 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.776 4.423 -8.824 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.496 5.565 -7.708 1.00 27.76 H new ATOM 387 N ASN A 25 1.391 2.708 -7.833 1.00 9.43 N ATOM 388 CA ASN A 25 1.826 1.508 -8.469 1.00 10.96 C ATOM 389 C ASN A 25 1.573 0.251 -7.522 1.00 9.68 C ATOM 390 O ASN A 25 1.268 -0.834 -8.036 1.00 9.33 O ATOM 391 CB ASN A 25 3.321 1.473 -8.866 1.00 16.78 C ATOM 392 CG ASN A 25 3.809 2.551 -9.878 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.842 3.161 -9.601 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.127 2.803 -10.982 1.00 24.70 N ATOM 0 H ASN A 25 2.134 3.385 -7.659 1.00 9.43 H new ATOM 0 HA ASN A 25 1.238 1.473 -9.386 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.915 1.568 -7.957 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.537 0.491 -9.287 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.453 3.519 -11.631 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.274 2.281 -11.185 1.00 24.70 H new ATOM 401 N VAL A 26 1.802 0.453 -6.227 1.00 6.52 N ATOM 402 CA VAL A 26 1.477 -0.631 -5.181 1.00 5.53 C ATOM 403 C VAL A 26 -0.082 -0.868 -5.138 1.00 4.42 C ATOM 404 O VAL A 26 -0.509 -2.025 -5.180 1.00 3.40 O ATOM 405 CB VAL A 26 2.055 -0.411 -3.761 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.708 -1.485 -2.702 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.541 -0.053 -3.909 1.00 8.12 C ATOM 0 H VAL A 26 2.196 1.311 -5.842 1.00 6.52 H new ATOM 0 HA VAL A 26 1.997 -1.526 -5.523 1.00 5.53 H new ATOM 0 HB VAL A 26 1.538 0.431 -3.301 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.169 -1.220 -1.751 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.626 -1.538 -2.579 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.084 -2.454 -3.030 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.976 0.108 -2.923 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.064 -0.869 -4.408 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.639 0.856 -4.502 1.00 8.12 H new ATOM 417 N LYS A 27 -0.920 0.168 -5.163 1.00 2.64 N ATOM 418 CA LYS A 27 -2.411 0.054 -5.042 1.00 4.14 C ATOM 419 C LYS A 27 -2.947 -0.629 -6.249 1.00 5.58 C ATOM 420 O LYS A 27 -3.976 -1.256 -6.227 1.00 4.11 O ATOM 421 CB LYS A 27 -3.042 1.491 -4.822 1.00 3.97 C ATOM 422 CG LYS A 27 -2.562 2.107 -3.449 1.00 7.45 C ATOM 423 CD LYS A 27 -3.116 3.550 -3.283 1.00 9.02 C ATOM 424 CE LYS A 27 -3.087 4.259 -1.954 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.934 5.424 -2.077 1.00 15.47 N ATOM 0 H LYS A 27 -0.599 1.131 -5.268 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.682 -0.548 -4.175 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.755 2.149 -5.642 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.130 1.422 -4.835 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.902 1.482 -2.623 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.473 2.121 -3.410 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.575 4.180 -3.989 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.156 3.529 -3.607 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.445 3.604 -1.160 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.069 4.548 -1.694 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.120 5.819 -1.133 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.458 6.139 -2.664 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.834 5.153 -2.522 1.00 15.47 H new ATOM 439 N ALA A 28 -2.340 -0.485 -7.427 1.00 6.61 N ATOM 440 CA ALA A 28 -2.664 -1.201 -8.681 1.00 7.74 C ATOM 441 C ALA A 28 -2.506 -2.662 -8.526 1.00 9.17 C ATOM 442 O ALA A 28 -3.320 -3.394 -8.994 1.00 11.45 O ATOM 443 CB ALA A 28 -1.714 -0.663 -9.791 1.00 7.68 C ATOM 0 H ALA A 28 -1.566 0.168 -7.549 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.706 -1.024 -8.947 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.928 -1.172 -10.731 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.870 0.409 -9.915 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.679 -0.848 -9.505 1.00 7.68 H new ATOM 449 N LYS A 29 -1.476 -3.185 -7.770 1.00 8.96 N ATOM 450 CA LYS A 29 -1.366 -4.554 -7.344 1.00 7.90 C ATOM 451 C LYS A 29 -2.424 -4.988 -6.327 1.00 6.92 C ATOM 452 O LYS A 29 -2.964 -6.079 -6.419 1.00 6.87 O ATOM 453 CB LYS A 29 0.072 -4.793 -6.761 1.00 10.28 C ATOM 454 CG LYS A 29 1.166 -4.355 -7.745 1.00 14.94 C ATOM 455 CD LYS A 29 2.573 -4.818 -7.407 1.00 19.69 C ATOM 456 CE LYS A 29 3.612 -4.218 -8.404 1.00 22.63 C ATOM 457 NZ LYS A 29 3.377 -4.594 -9.831 1.00 24.98 N ATOM 0 H LYS A 29 -0.695 -2.612 -7.452 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.543 -5.170 -8.226 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.182 -4.242 -5.827 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.197 -5.850 -6.525 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.908 -4.727 -8.737 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.164 -3.267 -7.802 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.824 -4.518 -6.390 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.619 -5.907 -7.439 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.596 -3.131 -8.319 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.610 -4.546 -8.113 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.145 -4.214 -10.421 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.354 -5.630 -9.918 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.469 -4.200 -10.149 1.00 24.98 H new ATOM 471 N ILE A 30 -2.778 -4.114 -5.365 1.00 4.57 N ATOM 472 CA ILE A 30 -3.884 -4.289 -4.459 1.00 5.58 C ATOM 473 C ILE A 30 -5.223 -4.415 -5.171 1.00 7.26 C ATOM 474 O ILE A 30 -6.086 -5.269 -5.039 1.00 9.46 O ATOM 475 CB ILE A 30 -3.891 -3.335 -3.357 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.492 -3.374 -2.625 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.025 -3.718 -2.389 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.218 -2.427 -1.468 1.00 2.00 C ATOM 0 H ILE A 30 -2.272 -3.243 -5.208 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.721 -5.256 -3.983 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.059 -2.322 -3.724 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.347 -4.389 -2.256 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.725 -3.196 -3.379 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.046 -3.015 -1.557 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.979 -3.686 -2.915 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.854 -4.725 -2.009 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.210 -2.596 -1.090 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.308 -1.397 -1.812 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.939 -2.608 -0.671 1.00 2.00 H new ATOM 490 N GLN A 31 -5.429 -3.671 -6.242 1.00 7.06 N ATOM 491 CA GLN A 31 -6.593 -3.689 -7.109 1.00 8.67 C ATOM 492 C GLN A 31 -6.675 -4.923 -7.939 1.00 10.90 C ATOM 493 O GLN A 31 -7.738 -5.542 -8.035 1.00 9.63 O ATOM 494 CB GLN A 31 -6.650 -2.500 -8.045 1.00 9.12 C ATOM 495 CG GLN A 31 -8.064 -2.514 -8.696 1.00 10.76 C ATOM 496 CD GLN A 31 -8.486 -1.298 -9.533 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.571 -0.716 -9.463 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.526 -0.929 -10.412 1.00 14.76 N ATOM 0 H GLN A 31 -4.737 -2.989 -6.551 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.437 -3.652 -6.421 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.483 -1.570 -7.501 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.872 -2.568 -8.806 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.129 -3.396 -9.333 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.797 -2.641 -7.899 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.640 -1.434 -10.442 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.688 -0.146 -11.045 1.00 14.76 H new ATOM 507 N ASP A 32 -5.575 -5.348 -8.566 1.00 10.93 N ATOM 508 CA ASP A 32 -5.543 -6.550 -9.452 1.00 14.01 C ATOM 509 C ASP A 32 -5.873 -7.814 -8.560 1.00 14.04 C ATOM 510 O ASP A 32 -6.706 -8.680 -8.939 1.00 13.39 O ATOM 511 CB ASP A 32 -4.202 -6.698 -10.284 1.00 18.01 C ATOM 512 CG ASP A 32 -4.348 -7.695 -11.428 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.926 -7.342 -12.493 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.938 -8.882 -11.270 1.00 26.29 O ATOM 0 H ASP A 32 -4.673 -4.879 -8.484 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.300 -6.442 -10.229 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.914 -5.726 -10.685 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.398 -7.020 -9.622 1.00 18.01 H new ATOM 519 N LYS A 33 -5.320 -7.900 -7.299 1.00 14.22 N ATOM 520 CA LYS A 33 -5.503 -9.071 -6.433 1.00 14.00 C ATOM 521 C LYS A 33 -6.829 -8.994 -5.748 1.00 12.37 C ATOM 522 O LYS A 33 -7.647 -9.879 -5.947 1.00 12.17 O ATOM 523 CB LYS A 33 -4.365 -9.241 -5.344 1.00 18.62 C ATOM 524 CG LYS A 33 -4.502 -10.571 -4.670 1.00 24.00 C ATOM 525 CD LYS A 33 -3.538 -10.865 -3.559 1.00 27.61 C ATOM 526 CE LYS A 33 -2.082 -11.048 -3.976 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.844 -12.179 -4.888 1.00 30.06 N ATOM 0 H LYS A 33 -4.750 -7.163 -6.884 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.451 -9.942 -7.086 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.385 -9.160 -5.814 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.432 -8.441 -4.607 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.514 -10.648 -4.272 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.397 -11.349 -5.427 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.589 -10.053 -2.834 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.867 -11.770 -3.048 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.737 -10.132 -4.456 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.476 -11.186 -3.081 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.829 -12.241 -5.107 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.155 -13.062 -4.435 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.379 -12.034 -5.768 1.00 30.06 H new ATOM 541 N GLU A 34 -7.154 -7.892 -5.028 1.00 10.11 N ATOM 542 CA GLU A 34 -8.253 -7.898 -4.104 1.00 10.07 C ATOM 543 C GLU A 34 -9.445 -7.045 -4.621 1.00 9.32 C ATOM 544 O GLU A 34 -10.496 -7.058 -3.970 1.00 11.61 O ATOM 545 CB GLU A 34 -7.785 -7.300 -2.764 1.00 14.77 C ATOM 546 CG GLU A 34 -6.757 -8.264 -2.065 1.00 18.75 C ATOM 547 CD GLU A 34 -7.357 -9.520 -1.438 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.013 -9.353 -0.412 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.190 -10.686 -1.908 1.00 21.95 O ATOM 0 H GLU A 34 -6.656 -7.004 -5.088 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.584 -8.930 -3.988 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.324 -6.327 -2.934 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.643 -7.137 -2.111 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.011 -8.566 -2.800 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.232 -7.707 -1.289 1.00 18.75 H new ATOM 556 N GLY A 35 -9.410 -6.304 -5.740 1.00 7.22 N ATOM 557 CA GLY A 35 -10.594 -5.600 -6.294 1.00 6.29 C ATOM 558 C GLY A 35 -10.961 -4.273 -5.703 1.00 6.93 C ATOM 559 O GLY A 35 -12.087 -3.737 -5.791 1.00 7.41 O ATOM 0 H GLY A 35 -8.563 -6.171 -6.292 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.428 -5.456 -7.362 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.454 -6.261 -6.191 1.00 6.29 H new ATOM 563 N ILE A 36 -10.061 -3.674 -4.913 1.00 5.86 N ATOM 564 CA ILE A 36 -10.336 -2.380 -4.273 1.00 6.07 C ATOM 565 C ILE A 36 -9.646 -1.354 -5.148 1.00 6.36 C ATOM 566 O ILE A 36 -8.445 -1.415 -5.338 1.00 6.18 O ATOM 567 CB ILE A 36 -9.695 -2.422 -2.875 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.143 -3.661 -2.008 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.069 -1.108 -2.102 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.273 -3.963 -0.780 1.00 9.49 C ATOM 0 H ILE A 36 -9.141 -4.061 -4.702 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.396 -2.149 -4.168 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.620 -2.512 -3.028 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.167 -3.496 -1.673 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.155 -4.543 -2.648 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.619 -1.129 -1.110 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.696 -0.244 -2.652 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.153 -1.037 -2.007 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.671 -4.833 -0.257 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.251 -4.167 -1.099 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.279 -3.103 -0.110 1.00 9.49 H new ATOM 582 N PRO A 37 -10.398 -0.338 -5.592 1.00 8.65 N ATOM 583 CA PRO A 37 -9.886 0.804 -6.346 1.00 9.18 C ATOM 584 C PRO A 37 -8.746 1.574 -5.719 1.00 9.85 C ATOM 585 O PRO A 37 -8.796 1.608 -4.531 1.00 8.51 O ATOM 586 CB PRO A 37 -11.084 1.799 -6.522 1.00 11.42 C ATOM 587 CG PRO A 37 -12.237 0.849 -6.689 1.00 9.27 C ATOM 588 CD PRO A 37 -11.834 -0.360 -5.802 1.00 8.33 C ATOM 0 HA PRO A 37 -9.479 0.395 -7.270 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.209 2.448 -5.656 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.956 2.446 -7.390 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.176 1.294 -6.360 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.370 0.557 -7.731 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.355 -0.314 -4.845 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.130 -1.293 -6.282 1.00 8.33 H new ATOM 596 N PRO A 38 -7.723 2.171 -6.378 1.00 8.71 N ATOM 597 CA PRO A 38 -6.705 2.994 -5.715 1.00 9.08 C ATOM 598 C PRO A 38 -7.152 4.107 -4.817 1.00 9.28 C ATOM 599 O PRO A 38 -6.412 4.503 -3.940 1.00 6.50 O ATOM 600 CB PRO A 38 -5.753 3.324 -6.852 1.00 10.31 C ATOM 601 CG PRO A 38 -5.755 2.065 -7.713 1.00 10.81 C ATOM 602 CD PRO A 38 -7.204 1.655 -7.667 1.00 12.00 C ATOM 0 HA PRO A 38 -6.212 2.456 -4.905 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.091 4.193 -7.416 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.754 3.553 -6.482 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.420 2.266 -8.731 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.100 1.293 -7.309 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.757 2.074 -8.508 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.307 0.571 -7.726 1.00 12.00 H new ATOM 610 N ASP A 39 -8.323 4.725 -5.084 1.00 11.20 N ATOM 611 CA ASP A 39 -8.797 5.864 -4.327 1.00 14.96 C ATOM 612 C ASP A 39 -9.916 5.402 -3.331 1.00 13.99 C ATOM 613 O ASP A 39 -10.608 6.179 -2.670 1.00 13.75 O ATOM 614 CB ASP A 39 -9.474 6.921 -5.198 1.00 24.16 C ATOM 615 CG ASP A 39 -8.372 7.715 -5.932 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.179 7.846 -5.496 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.695 8.255 -7.023 1.00 35.55 O ATOM 0 H ASP A 39 -8.953 4.436 -5.833 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.914 6.279 -3.840 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.146 6.450 -5.916 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.080 7.588 -4.585 1.00 24.16 H new ATOM 622 N GLN A 40 -10.046 4.076 -3.229 1.00 11.60 N ATOM 623 CA GLN A 40 -10.837 3.428 -2.165 1.00 10.76 C ATOM 624 C GLN A 40 -9.808 2.799 -1.235 1.00 8.01 C ATOM 625 O GLN A 40 -10.107 1.843 -0.485 1.00 8.96 O ATOM 626 CB GLN A 40 -11.786 2.496 -2.876 1.00 11.14 C ATOM 627 CG GLN A 40 -12.931 1.905 -2.020 1.00 14.85 C ATOM 628 CD GLN A 40 -13.667 0.783 -2.770 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.646 -0.391 -2.423 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.419 1.169 -3.802 1.00 18.16 N ATOM 0 H GLN A 40 -9.610 3.419 -3.876 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.463 4.064 -1.540 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.228 3.032 -3.716 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.208 1.671 -3.292 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.526 1.516 -1.086 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.636 2.694 -1.758 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.432 2.149 -4.086 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.981 0.484 -4.307 1.00 18.16 H new ATOM 639 N GLN A 41 -8.553 3.262 -1.306 1.00 6.52 N ATOM 640 CA GLN A 41 -7.480 2.659 -0.513 1.00 3.87 C ATOM 641 C GLN A 41 -6.769 3.743 0.228 1.00 4.79 C ATOM 642 O GLN A 41 -6.481 4.848 -0.286 1.00 6.34 O ATOM 643 CB GLN A 41 -6.379 1.890 -1.342 1.00 4.20 C ATOM 644 CG GLN A 41 -6.849 0.509 -1.936 1.00 3.20 C ATOM 645 CD GLN A 41 -5.658 -0.067 -2.683 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.575 -0.093 -2.123 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.931 -0.480 -3.943 1.00 7.13 N ATOM 0 H GLN A 41 -8.261 4.041 -1.896 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.975 1.929 0.127 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.048 2.529 -2.161 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.514 1.719 -0.701 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.172 -0.165 -1.142 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.699 0.644 -2.605 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.881 -0.410 -4.308 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.187 -0.861 -4.527 1.00 7.13 H new ATOM 656 N ARG A 42 -6.442 3.428 1.504 1.00 5.73 N ATOM 657 CA ARG A 42 -5.370 4.128 2.254 1.00 6.97 C ATOM 658 C ARG A 42 -4.367 3.084 2.704 1.00 7.15 C ATOM 659 O ARG A 42 -4.725 1.946 3.011 1.00 7.33 O ATOM 660 CB ARG A 42 -5.814 4.996 3.475 1.00 13.23 C ATOM 661 CG ARG A 42 -6.956 6.022 3.230 1.00 21.27 C ATOM 662 CD ARG A 42 -7.620 6.540 4.527 1.00 26.14 C ATOM 663 NE ARG A 42 -8.576 7.587 4.048 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.870 7.806 4.470 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.386 7.027 5.383 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.595 8.769 3.889 1.00 36.39 N ATOM 0 H ARG A 42 -6.906 2.692 2.037 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.953 4.859 1.562 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.128 4.323 4.273 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.942 5.539 3.840 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.556 6.870 2.674 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.718 5.560 2.602 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.136 5.741 5.058 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.883 6.956 5.214 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.228 8.214 3.322 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.832 6.266 5.776 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.342 7.180 5.703 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.189 9.332 3.142 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.553 8.940 4.193 1.00 36.39 H new ATOM 680 N LEU A 43 -3.022 3.443 2.682 1.00 4.65 N ATOM 681 CA LEU A 43 -1.829 2.674 3.090 1.00 3.51 C ATOM 682 C LEU A 43 -0.993 3.447 4.156 1.00 5.56 C ATOM 683 O LEU A 43 -0.950 4.691 4.058 1.00 4.19 O ATOM 684 CB LEU A 43 -1.018 2.120 1.906 1.00 3.74 C ATOM 685 CG LEU A 43 -1.665 1.048 1.008 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.845 0.832 -0.291 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.854 -0.289 1.682 1.00 6.41 C ATOM 0 H LEU A 43 -2.752 4.366 2.343 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.180 1.771 3.589 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.742 2.962 1.271 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.092 1.704 2.304 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.654 1.444 0.777 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.327 0.070 -0.903 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.794 1.767 -0.849 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.163 0.507 -0.035 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.315 -0.987 0.983 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.886 -0.677 1.998 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.498 -0.170 2.553 1.00 6.41 H new ATOM 699 N ILE A 44 -0.571 2.708 5.276 1.00 4.58 N ATOM 700 CA ILE A 44 -0.094 3.241 6.541 1.00 5.55 C ATOM 701 C ILE A 44 1.113 2.395 7.021 1.00 5.46 C ATOM 702 O ILE A 44 1.085 1.217 7.183 1.00 6.04 O ATOM 703 CB ILE A 44 -1.174 3.487 7.635 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.482 4.053 7.028 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.612 4.545 8.713 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.625 4.469 7.972 1.00 13.90 C ATOM 0 H ILE A 44 -0.574 1.688 5.269 1.00 4.58 H new ATOM 0 HA ILE A 44 0.235 4.262 6.349 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.394 2.529 8.107 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.217 4.924 6.429 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.878 3.304 6.343 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.367 4.719 9.480 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.291 4.148 9.176 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.380 5.485 8.213 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.464 4.843 7.385 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.946 3.607 8.556 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.275 5.253 8.644 1.00 13.90 H new ATOM 718 N PHE A 45 2.311 3.064 7.215 1.00 6.75 N ATOM 719 CA PHE A 45 3.472 2.376 7.743 1.00 4.70 C ATOM 720 C PHE A 45 4.226 3.305 8.734 1.00 6.34 C ATOM 721 O PHE A 45 4.668 4.417 8.444 1.00 5.45 O ATOM 722 CB PHE A 45 4.290 1.743 6.563 1.00 5.51 C ATOM 723 CG PHE A 45 5.525 1.179 7.077 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.458 0.029 7.898 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.781 1.748 6.711 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.708 -0.564 8.305 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.973 1.176 7.145 1.00 6.64 C ATOM 728 CZ PHE A 45 7.896 0.024 7.923 1.00 6.84 C ATOM 0 H PHE A 45 2.458 4.052 7.008 1.00 6.75 H new ATOM 0 HA PHE A 45 3.208 1.516 8.358 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.701 0.968 6.072 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.509 2.501 5.811 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.511 -0.387 8.207 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.807 2.632 6.091 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.714 -1.462 8.905 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.927 1.612 6.887 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.819 -0.435 8.246 1.00 6.84 H new ATOM 738 N ALA A 46 4.459 2.707 9.931 1.00 6.53 N ATOM 739 CA ALA A 46 5.109 3.368 11.089 1.00 7.15 C ATOM 740 C ALA A 46 4.413 4.627 11.651 1.00 9.00 C ATOM 741 O ALA A 46 5.020 5.517 12.249 1.00 11.15 O ATOM 742 CB ALA A 46 6.602 3.660 10.864 1.00 8.99 C ATOM 0 H ALA A 46 4.197 1.740 10.120 1.00 6.53 H new ATOM 0 HA ALA A 46 4.997 2.604 11.858 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.016 4.144 11.749 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.132 2.725 10.680 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.718 4.318 10.003 1.00 8.99 H new ATOM 748 N GLY A 47 3.099 4.702 11.516 1.00 9.35 N ATOM 749 CA GLY A 47 2.290 5.869 11.854 1.00 11.68 C ATOM 750 C GLY A 47 2.157 6.913 10.761 1.00 11.14 C ATOM 751 O GLY A 47 1.602 7.961 11.025 1.00 13.93 O ATOM 0 H GLY A 47 2.544 3.926 11.156 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.292 5.529 12.131 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.720 6.344 12.735 1.00 11.68 H new ATOM 755 N LYS A 48 2.741 6.698 9.557 1.00 10.47 N ATOM 756 CA LYS A 48 2.756 7.570 8.385 1.00 8.82 C ATOM 757 C LYS A 48 1.828 6.931 7.412 1.00 7.68 C ATOM 758 O LYS A 48 1.906 5.731 7.122 1.00 6.47 O ATOM 759 CB LYS A 48 4.146 7.678 7.663 1.00 9.74 C ATOM 760 CG LYS A 48 5.168 8.489 8.404 1.00 14.14 C ATOM 761 CD LYS A 48 6.511 8.482 7.664 1.00 16.32 C ATOM 762 CE LYS A 48 7.698 9.105 8.520 1.00 20.04 C ATOM 763 NZ LYS A 48 8.982 8.985 7.749 1.00 23.92 N ATOM 0 H LYS A 48 3.253 5.834 9.379 1.00 10.47 H new ATOM 0 HA LYS A 48 2.492 8.576 8.712 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.540 6.674 7.508 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.996 8.118 6.677 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.814 9.514 8.515 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.299 8.087 9.408 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.765 7.457 7.394 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.409 9.041 6.734 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.491 10.152 8.743 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.784 8.587 9.475 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.761 9.392 8.306 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.180 7.982 7.558 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.896 9.498 6.849 1.00 23.92 H new ATOM 777 N GLN A 49 0.930 7.789 6.836 1.00 8.89 N ATOM 778 CA GLN A 49 0.188 7.336 5.703 1.00 7.18 C ATOM 779 C GLN A 49 0.894 7.559 4.360 1.00 8.23 C ATOM 780 O GLN A 49 1.589 8.520 4.126 1.00 9.70 O ATOM 781 CB GLN A 49 -1.188 8.088 5.720 1.00 11.67 C ATOM 782 CG GLN A 49 -2.252 7.674 4.657 1.00 15.82 C ATOM 783 CD GLN A 49 -3.648 8.068 5.093 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.231 7.556 6.070 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.323 9.047 4.416 1.00 20.67 N ATOM 0 H GLN A 49 0.736 8.741 7.145 1.00 8.89 H new ATOM 0 HA GLN A 49 0.070 6.255 5.785 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.631 7.956 6.707 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.990 9.153 5.600 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.019 8.147 3.703 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.209 6.597 4.497 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.892 9.499 3.609 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.257 9.325 4.718 1.00 20.67 H new ATOM 794 N LEU A 50 0.869 6.559 3.459 1.00 6.51 N ATOM 795 CA LEU A 50 1.774 6.454 2.398 1.00 7.41 C ATOM 796 C LEU A 50 1.067 7.072 1.173 1.00 8.27 C ATOM 797 O LEU A 50 0.036 6.548 0.667 1.00 8.34 O ATOM 798 CB LEU A 50 2.159 5.002 2.081 1.00 7.13 C ATOM 799 CG LEU A 50 2.631 4.265 3.334 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.023 2.800 3.031 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.781 4.995 4.124 1.00 9.11 C ATOM 0 H LEU A 50 0.185 5.803 3.487 1.00 6.51 H new ATOM 0 HA LEU A 50 2.701 6.964 2.660 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.302 4.482 1.652 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.949 4.989 1.330 1.00 7.13 H new ATOM 0 HG LEU A 50 1.764 4.267 3.994 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.352 2.314 3.949 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.161 2.269 2.628 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.833 2.783 2.301 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.055 4.403 4.998 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.651 5.110 3.477 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.435 5.977 4.445 1.00 9.11 H new ATOM 813 N GLU A 51 1.599 8.190 0.633 1.00 9.43 N ATOM 814 CA GLU A 51 0.909 9.046 -0.277 1.00 11.90 C ATOM 815 C GLU A 51 1.229 8.583 -1.718 1.00 11.49 C ATOM 816 O GLU A 51 2.364 8.262 -2.109 1.00 9.88 O ATOM 817 CB GLU A 51 1.384 10.577 -0.127 1.00 16.56 C ATOM 818 CG GLU A 51 0.948 11.261 1.228 1.00 26.06 C ATOM 819 CD GLU A 51 1.515 12.655 1.329 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.300 13.487 0.434 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.219 12.907 2.348 1.00 32.13 O ATOM 0 H GLU A 51 2.546 8.505 0.842 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.158 8.990 -0.060 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.470 10.618 -0.209 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.980 11.154 -0.959 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.140 11.300 1.288 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.292 10.661 2.071 1.00 26.06 H new ATOM 828 N ASP A 52 0.157 8.472 -2.510 1.00 12.71 N ATOM 829 CA ASP A 52 0.003 8.059 -3.909 1.00 16.56 C ATOM 830 C ASP A 52 1.122 8.457 -4.874 1.00 15.83 C ATOM 831 O ASP A 52 1.597 7.600 -5.643 1.00 17.21 O ATOM 832 CB ASP A 52 -1.357 8.465 -4.386 1.00 21.05 C ATOM 833 CG ASP A 52 -2.484 8.187 -3.450 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.567 8.925 -2.413 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.300 7.270 -3.698 1.00 28.37 O ATOM 0 H ASP A 52 -0.758 8.705 -2.124 1.00 12.71 H new ATOM 0 HA ASP A 52 0.099 6.973 -3.915 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.342 9.534 -4.599 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.558 7.955 -5.328 1.00 21.05 H new ATOM 840 N GLY A 53 1.582 9.666 -4.951 1.00 15.00 N ATOM 841 CA GLY A 53 2.543 10.168 -5.920 1.00 11.77 C ATOM 842 C GLY A 53 4.033 9.991 -5.448 1.00 11.10 C ATOM 843 O GLY A 53 4.945 10.519 -6.107 1.00 11.25 O ATOM 0 H GLY A 53 1.283 10.390 -4.298 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.402 9.648 -6.867 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.348 11.224 -6.105 1.00 11.77 H new ATOM 847 N ARG A 54 4.296 9.340 -4.290 1.00 8.53 N ATOM 848 CA ARG A 54 5.633 9.203 -3.747 1.00 9.05 C ATOM 849 C ARG A 54 5.921 7.752 -3.770 1.00 8.96 C ATOM 850 O ARG A 54 5.047 6.947 -4.103 1.00 11.60 O ATOM 851 CB ARG A 54 5.759 9.686 -2.277 1.00 7.97 C ATOM 852 CG ARG A 54 4.956 10.968 -2.113 1.00 9.62 C ATOM 853 CD ARG A 54 5.122 11.695 -0.780 1.00 12.20 C ATOM 854 NE ARG A 54 6.515 12.366 -0.784 1.00 18.23 N ATOM 855 CZ ARG A 54 7.343 12.365 0.298 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.936 12.075 1.503 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.629 12.661 0.120 1.00 23.38 N ATOM 0 H ARG A 54 3.574 8.901 -3.719 1.00 8.53 H new ATOM 0 HA ARG A 54 6.318 9.812 -4.337 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.391 8.920 -1.595 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.805 9.861 -2.025 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.234 11.652 -2.915 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.900 10.732 -2.247 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.338 12.441 -0.650 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.036 10.995 0.051 1.00 12.20 H new ATOM 0 HE ARG A 54 6.829 12.831 -1.636 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.958 11.835 1.667 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.595 12.088 2.281 1.00 25.50 H new ATOM 0 HH21 ARG A 54 8.977 12.883 -0.813 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.266 12.666 0.916 1.00 23.38 H new ATOM 871 N THR A 55 7.127 7.381 -3.431 1.00 9.05 N ATOM 872 CA THR A 55 7.664 6.000 -3.543 1.00 9.03 C ATOM 873 C THR A 55 7.892 5.359 -2.193 1.00 8.15 C ATOM 874 O THR A 55 7.971 6.012 -1.176 1.00 5.91 O ATOM 875 CB THR A 55 9.001 5.933 -4.277 1.00 11.15 C ATOM 876 OG1 THR A 55 10.048 6.633 -3.577 1.00 11.95 O ATOM 877 CG2 THR A 55 8.933 6.631 -5.654 1.00 11.71 C ATOM 0 H THR A 55 7.809 8.038 -3.052 1.00 9.05 H new ATOM 0 HA THR A 55 6.897 5.468 -4.105 1.00 9.03 H new ATOM 0 HB THR A 55 9.211 4.867 -4.359 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.653 7.210 -2.890 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.904 6.562 -6.145 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.178 6.144 -6.272 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.669 7.680 -5.518 1.00 11.71 H new ATOM 885 N LEU A 56 8.058 4.009 -2.204 1.00 6.91 N ATOM 886 CA LEU A 56 8.488 3.233 -1.064 1.00 8.29 C ATOM 887 C LEU A 56 9.778 3.652 -0.474 1.00 8.05 C ATOM 888 O LEU A 56 9.922 3.642 0.748 1.00 10.17 O ATOM 889 CB LEU A 56 8.446 1.808 -1.444 1.00 6.60 C ATOM 890 CG LEU A 56 7.042 1.206 -1.782 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.270 -0.248 -2.364 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.219 0.949 -0.506 1.00 8.64 C ATOM 0 H LEU A 56 7.887 3.441 -3.034 1.00 6.91 H new ATOM 0 HA LEU A 56 7.796 3.417 -0.243 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.092 1.669 -2.311 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.877 1.227 -0.629 1.00 6.60 H new ATOM 0 HG LEU A 56 6.539 1.901 -2.454 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.308 -0.696 -2.610 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.883 -0.188 -3.263 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.777 -0.862 -1.620 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.249 0.531 -0.776 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.751 0.246 0.135 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.073 1.888 0.028 1.00 8.64 H new ATOM 904 N SER A 57 10.806 4.146 -1.240 1.00 8.92 N ATOM 905 CA SER A 57 12.128 4.709 -0.765 1.00 9.00 C ATOM 906 C SER A 57 11.999 6.062 0.001 1.00 9.44 C ATOM 907 O SER A 57 12.722 6.225 0.993 1.00 10.91 O ATOM 908 CB SER A 57 13.107 4.974 -1.875 1.00 10.32 C ATOM 909 OG SER A 57 14.335 5.472 -1.409 1.00 13.59 O ATOM 0 H SER A 57 10.736 4.165 -2.257 1.00 8.92 H new ATOM 0 HA SER A 57 12.487 3.919 -0.105 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.281 4.051 -2.428 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.672 5.688 -2.574 1.00 10.32 H new ATOM 0 HG SER A 57 14.935 5.626 -2.168 1.00 13.59 H new ATOM 915 N ASP A 58 11.010 6.961 -0.245 1.00 9.11 N ATOM 916 CA ASP A 58 10.729 8.098 0.612 1.00 7.91 C ATOM 917 C ASP A 58 10.401 7.744 2.038 1.00 9.12 C ATOM 918 O ASP A 58 10.690 8.431 3.022 1.00 8.61 O ATOM 919 CB ASP A 58 9.512 8.868 0.062 1.00 8.41 C ATOM 920 CG ASP A 58 9.821 9.379 -1.311 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.644 10.374 -1.365 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.352 8.775 -2.338 1.00 11.70 O ATOM 0 H ASP A 58 10.392 6.899 -1.054 1.00 9.11 H new ATOM 0 HA ASP A 58 11.648 8.684 0.612 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.640 8.215 0.030 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.265 9.699 0.723 1.00 8.41 H new ATOM 927 N TYR A 59 9.753 6.551 2.224 1.00 7.97 N ATOM 928 CA TYR A 59 9.311 6.030 3.485 1.00 8.45 C ATOM 929 C TYR A 59 10.374 5.107 4.025 1.00 10.98 C ATOM 930 O TYR A 59 10.248 4.526 5.097 1.00 12.95 O ATOM 931 CB TYR A 59 7.908 5.265 3.263 1.00 7.94 C ATOM 932 CG TYR A 59 6.934 6.308 2.831 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.623 7.391 3.627 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.396 6.199 1.538 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.628 8.264 3.187 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.402 7.106 1.065 1.00 6.52 C ATOM 937 CZ TYR A 59 5.060 8.095 1.942 1.00 6.76 C ATOM 938 OH TYR A 59 4.182 9.144 1.522 1.00 7.63 O ATOM 0 H TYR A 59 9.533 5.929 1.446 1.00 7.97 H new ATOM 0 HA TYR A 59 9.153 6.827 4.211 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.004 4.485 2.508 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.578 4.780 4.182 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.135 7.558 4.563 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.743 5.410 0.887 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.302 9.074 3.823 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.954 7.017 0.087 1.00 6.52 H new ATOM 0 HH TYR A 59 4.470 9.991 1.922 1.00 7.63 H new ATOM 948 N ASN A 60 11.479 4.924 3.283 1.00 12.38 N ATOM 949 CA ASN A 60 12.682 4.171 3.530 1.00 13.94 C ATOM 950 C ASN A 60 12.330 2.701 3.606 1.00 14.16 C ATOM 951 O ASN A 60 12.878 1.976 4.480 1.00 14.26 O ATOM 952 CB ASN A 60 13.546 4.682 4.664 1.00 19.23 C ATOM 953 CG ASN A 60 13.740 6.182 4.547 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.416 6.702 3.649 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.309 6.983 5.534 1.00 24.09 N ATOM 0 H ASN A 60 11.537 5.374 2.369 1.00 12.38 H new ATOM 0 HA ASN A 60 13.352 4.321 2.684 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.081 4.443 5.620 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.514 4.181 4.646 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.541 7.976 5.523 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.749 6.599 6.295 1.00 24.09 H new ATOM 962 N ILE A 61 11.386 2.167 2.812 1.00 11.08 N ATOM 963 CA ILE A 61 10.962 0.838 2.908 1.00 11.78 C ATOM 964 C ILE A 61 11.837 -0.102 2.234 1.00 13.74 C ATOM 965 O ILE A 61 12.220 -0.013 1.058 1.00 14.60 O ATOM 966 CB ILE A 61 9.474 0.666 2.510 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.561 1.402 3.511 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.009 -0.833 2.402 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.173 1.665 2.894 1.00 11.42 C ATOM 0 H ILE A 61 10.910 2.695 2.081 1.00 11.08 H new ATOM 0 HA ILE A 61 11.034 0.582 3.965 1.00 11.78 H new ATOM 0 HB ILE A 61 9.388 1.100 1.514 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.454 0.807 4.418 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.020 2.347 3.802 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.957 -0.868 2.120 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.605 -1.345 1.646 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.143 -1.326 3.365 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.546 2.185 3.618 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.283 2.280 2.001 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.708 0.716 2.627 1.00 11.42 H new ATOM 981 N GLN A 62 12.238 -1.179 2.991 1.00 13.97 N ATOM 982 CA GLN A 62 13.031 -2.299 2.494 1.00 15.52 C ATOM 983 C GLN A 62 12.190 -3.581 2.605 1.00 13.94 C ATOM 984 O GLN A 62 11.134 -3.580 3.296 1.00 12.15 O ATOM 985 CB GLN A 62 14.351 -2.486 3.172 1.00 19.53 C ATOM 986 CG GLN A 62 15.342 -1.311 2.942 1.00 26.38 C ATOM 987 CD GLN A 62 16.575 -1.461 3.853 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.069 -2.600 4.043 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.137 -0.307 4.301 1.00 32.71 N ATOM 0 H GLN A 62 12.001 -1.269 3.979 1.00 13.97 H new ATOM 0 HA GLN A 62 13.280 -2.070 1.458 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.186 -2.606 4.243 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.806 -3.409 2.814 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.654 -1.289 1.898 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.845 -0.363 3.146 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.684 0.587 4.113 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.011 -0.336 4.825 1.00 32.71 H new ATOM 998 N LYS A 63 12.619 -4.637 1.805 1.00 11.73 N ATOM 999 CA LYS A 63 12.084 -6.002 1.786 1.00 11.97 C ATOM 1000 C LYS A 63 11.485 -6.563 3.028 1.00 10.41 C ATOM 1001 O LYS A 63 11.949 -6.415 4.155 1.00 9.59 O ATOM 1002 CB LYS A 63 13.142 -6.886 1.164 1.00 13.73 C ATOM 1003 CG LYS A 63 14.450 -7.127 2.015 1.00 16.98 C ATOM 1004 CD LYS A 63 15.468 -8.069 1.335 1.00 20.19 C ATOM 1005 CE LYS A 63 16.717 -8.423 2.145 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.178 -7.282 2.893 1.00 25.97 N ATOM 0 H LYS A 63 13.382 -4.519 1.139 1.00 11.73 H new ATOM 0 HA LYS A 63 11.174 -5.960 1.187 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.692 -7.855 0.948 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.433 -6.449 0.209 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.929 -6.167 2.208 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.172 -7.545 2.982 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.955 -8.995 1.076 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.787 -7.609 0.400 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.494 -9.245 2.826 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.505 -8.768 1.476 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.134 -7.469 3.257 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.200 -6.447 2.274 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.533 -7.106 3.690 1.00 25.97 H new ATOM 1020 N GLU A 64 10.293 -7.202 2.853 1.00 10.04 N ATOM 1021 CA GLU A 64 9.614 -7.856 3.938 1.00 10.94 C ATOM 1022 C GLU A 64 9.093 -6.972 5.055 1.00 9.74 C ATOM 1023 O GLU A 64 8.837 -7.368 6.231 1.00 9.42 O ATOM 1024 CB GLU A 64 10.470 -9.007 4.496 1.00 18.31 C ATOM 1025 CG GLU A 64 10.979 -9.968 3.466 1.00 24.16 C ATOM 1026 CD GLU A 64 11.615 -11.145 4.132 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.108 -11.088 5.272 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.610 -12.251 3.529 1.00 31.72 O ATOM 0 H GLU A 64 9.807 -7.261 1.958 1.00 10.04 H new ATOM 0 HA GLU A 64 8.703 -8.242 3.480 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.321 -8.583 5.029 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.879 -9.559 5.227 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.158 -10.300 2.830 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.703 -9.471 2.820 1.00 24.16 H new ATOM 1035 N SER A 65 8.825 -5.716 4.670 1.00 6.85 N ATOM 1036 CA SER A 65 7.994 -4.799 5.458 1.00 6.90 C ATOM 1037 C SER A 65 6.562 -5.220 5.555 1.00 4.72 C ATOM 1038 O SER A 65 6.019 -5.952 4.732 1.00 3.91 O ATOM 1039 CB SER A 65 8.135 -3.367 4.965 1.00 7.28 C ATOM 1040 OG SER A 65 7.432 -2.418 5.732 1.00 10.56 O ATOM 0 H SER A 65 9.179 -5.309 3.804 1.00 6.85 H new ATOM 0 HA SER A 65 8.376 -4.844 6.478 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.192 -3.100 4.958 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.786 -3.314 3.934 1.00 7.28 H new ATOM 0 HG SER A 65 8.065 -1.900 6.272 1.00 10.56 H new ATOM 1046 N THR A 66 5.800 -4.812 6.618 1.00 4.48 N ATOM 1047 CA THR A 66 4.376 -4.960 6.776 1.00 3.80 C ATOM 1048 C THR A 66 3.704 -3.656 6.904 1.00 4.60 C ATOM 1049 O THR A 66 3.815 -2.922 7.850 1.00 5.33 O ATOM 1050 CB THR A 66 4.007 -5.870 7.961 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.726 -7.179 7.981 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.508 -6.210 7.998 1.00 3.40 C ATOM 0 H THR A 66 6.223 -4.345 7.420 1.00 4.48 H new ATOM 0 HA THR A 66 4.020 -5.443 5.866 1.00 3.80 H new ATOM 0 HB THR A 66 4.306 -5.274 8.823 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.440 -7.698 8.762 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.302 -6.854 8.853 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.929 -5.291 8.088 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.229 -6.726 7.079 1.00 3.40 H new ATOM 1060 N LEU A 67 2.957 -3.386 5.920 1.00 4.17 N ATOM 1061 CA LEU A 67 2.307 -2.138 5.676 1.00 3.85 C ATOM 1062 C LEU A 67 0.789 -2.312 5.897 1.00 3.80 C ATOM 1063 O LEU A 67 0.153 -3.350 5.585 1.00 5.54 O ATOM 1064 CB LEU A 67 2.510 -1.692 4.162 1.00 7.18 C ATOM 1065 CG LEU A 67 3.958 -1.856 3.685 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.978 -1.509 2.206 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.972 -1.002 4.374 1.00 11.66 C ATOM 0 H LEU A 67 2.756 -4.075 5.195 1.00 4.17 H new ATOM 0 HA LEU A 67 2.730 -1.392 6.349 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.852 -2.281 3.523 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.211 -0.650 4.052 1.00 7.18 H new ATOM 0 HG LEU A 67 4.244 -2.883 3.913 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.993 -1.612 1.822 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.315 -2.184 1.665 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.641 -0.482 2.069 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.959 -1.201 3.957 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.722 0.049 4.229 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.976 -1.230 5.440 1.00 11.66 H new ATOM 1079 N HIS A 68 0.134 -1.347 6.526 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.319 -1.456 6.815 1.00 4.17 C ATOM 1081 C HIS A 68 -2.139 -0.977 5.646 1.00 5.32 C ATOM 1082 O HIS A 68 -1.875 0.118 5.149 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.725 -0.630 8.010 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.878 -1.071 9.262 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.242 -0.372 9.629 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.028 -2.052 10.115 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.779 -1.022 10.688 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.033 -2.006 11.047 1.00 16.30 N ATOM 0 H HIS A 68 0.566 -0.481 6.850 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.504 -2.511 7.016 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.567 0.429 7.805 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.788 -0.760 8.212 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.602 0.475 9.189 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.829 -2.776 10.108 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.708 -0.751 11.167 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.152 -1.774 5.222 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.186 -1.323 4.340 1.00 3.97 C ATOM 1098 C LEU A 69 -5.518 -0.998 5.082 1.00 5.07 C ATOM 1099 O LEU A 69 -6.072 -1.773 5.828 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.297 -2.395 3.252 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.483 -2.235 2.256 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.531 -0.985 1.362 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.498 -3.482 1.412 1.00 9.96 C ATOM 0 H LEU A 69 -3.248 -2.750 5.501 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.942 -0.363 3.886 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.368 -2.404 2.682 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.383 -3.368 3.736 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.369 -2.090 2.874 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.417 -1.025 0.728 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.572 -0.092 1.986 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.639 -0.950 0.737 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.314 -3.424 0.692 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.551 -3.573 0.880 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.640 -4.353 2.052 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.052 0.197 4.818 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.276 0.640 5.348 1.00 6.26 C ATOM 1117 C VAL A 70 -8.159 0.812 4.085 1.00 9.22 C ATOM 1118 O VAL A 70 -7.750 1.499 3.154 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.079 1.966 6.020 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.432 2.537 6.502 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.209 1.906 7.257 1.00 8.54 C ATOM 0 H VAL A 70 -5.605 0.880 4.207 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.706 -0.036 6.087 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.598 2.584 5.262 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.269 3.499 6.987 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.096 2.669 5.648 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.887 1.846 7.212 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.115 2.904 7.684 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.663 1.239 7.989 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.221 1.532 6.989 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.370 0.141 4.056 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.417 0.341 3.021 1.00 16.06 C ATOM 1133 C LEU A 71 -11.167 1.626 3.102 1.00 18.09 C ATOM 1134 O LEU A 71 -12.041 1.781 4.005 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.356 -0.911 3.181 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.497 -0.968 2.251 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.126 -0.953 0.802 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.393 -2.138 2.695 1.00 19.57 C ATOM 0 H LEU A 71 -9.630 -0.551 4.759 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.960 0.420 2.035 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.757 -1.812 3.050 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.739 -0.928 4.201 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.070 -0.043 2.315 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.030 -0.998 0.195 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.582 -0.036 0.575 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.496 -1.814 0.579 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.252 -2.212 2.028 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.824 -3.067 2.658 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.739 -1.965 3.714 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.967 2.541 2.109 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.535 3.857 2.209 1.00 25.83 C ATOM 1152 C ARG A 72 -12.875 3.874 1.557 1.00 27.74 C ATOM 1153 O ARG A 72 -13.020 3.810 0.320 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.700 4.995 1.474 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.377 6.357 1.322 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.413 7.362 0.723 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.096 8.662 0.714 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.553 9.698 0.019 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.390 9.604 -0.656 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.137 10.914 0.073 1.00 35.02 N ATOM 0 H ARG A 72 -10.425 2.368 1.262 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.558 4.066 3.279 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.767 5.138 2.020 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.436 4.634 0.480 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.257 6.264 0.686 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.722 6.709 2.294 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.496 7.413 1.309 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.129 7.069 -0.288 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.970 8.787 1.224 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.873 8.725 -0.661 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.027 10.412 -1.161 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.979 11.051 0.632 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.736 11.696 -0.445 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.000 4.052 2.320 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.348 4.254 1.787 1.00 30.76 C ATOM 1176 C LEU A 73 -15.748 5.747 1.964 1.00 32.18 C ATOM 1177 O LEU A 73 -15.079 6.627 2.524 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.274 3.311 2.615 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.046 1.803 2.528 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.067 1.042 3.311 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.124 1.353 1.041 1.00 29.11 C ATOM 0 H LEU A 73 -13.972 4.056 3.340 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.422 4.025 0.724 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.188 3.599 3.663 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.303 3.508 2.313 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.062 1.592 2.946 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.870 -0.027 3.224 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.015 1.336 4.359 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.061 1.261 2.922 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.961 0.277 0.977 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.107 1.596 0.638 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.358 1.870 0.464 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.955 6.142 1.444 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.238 7.570 1.147 1.00 35.33 C ATOM 1195 C ARG A 74 -17.599 8.457 2.406 1.00 36.22 C ATOM 1196 O ARG A 74 -17.427 9.669 2.461 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.319 7.755 0.091 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.200 7.029 -1.243 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.117 7.572 -2.326 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.824 6.685 -3.583 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.810 6.866 -4.417 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.901 7.818 -4.272 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.634 6.033 -5.486 1.00 41.93 N ATOM 0 H ARG A 74 -17.722 5.504 1.230 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.283 7.926 0.761 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.267 7.459 0.540 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.387 8.822 -0.123 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.168 7.093 -1.589 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.420 5.972 -1.091 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.163 7.503 -2.029 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.911 8.623 -2.527 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.460 5.911 -3.774 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.959 8.463 -3.484 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.143 7.906 -4.949 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.286 5.265 -5.647 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.851 6.179 -6.123 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.921 7.785 3.519 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.474 8.420 4.791 1.00 36.07 C ATOM 1219 C GLY A 75 -17.338 8.947 5.601 1.00 36.16 C ATOM 1220 O GLY A 75 -17.471 9.812 6.470 1.00 36.26 O ATOM 0 H GLY A 75 -17.815 6.773 3.594 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.164 9.226 4.541 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.037 7.685 5.365 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.108 8.525 5.324 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.968 8.941 6.125 1.00 36.19 C ATOM 1226 C GLY A 76 -13.603 8.595 5.505 1.00 36.20 C ATOM 1227 O GLY A 76 -13.143 9.264 4.535 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.909 7.773 6.140 1.00 0.00 O ATOM 0 H GLY A 76 -15.878 7.898 4.553 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.021 10.018 6.281 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.038 8.473 7.107 1.00 36.19 H new TER 1232 GLY A 76