USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 636 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 45 HIS : no HE2:sc= -1.44 K(o=-1.1,f=-4.6) USER MOD Set 1.2: A 47 SER OG : rot 89:sc= 0.353 USER MOD Set 2.1: A 25 CYS SG : rot -15:sc= 0.309 USER MOD Set 2.2: A 32 GLN : amide:sc= 1 K(o=2.5,f=0.51) USER MOD Set 2.3: A 53 TYR OH : rot -7:sc= 1.18 USER MOD Set 3.1: A 10 TYR OH : rot -163:sc= 1.31 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 0.284 K(o=1.6,f=-7.8!) USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.32) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.35 (180deg=1.28) USER MOD Single : A 4 LYS NZ :NH3+ -132:sc= 0.926 (180deg=-2.54!) USER MOD Single : A 5 ASN : amide:sc= 1.11 K(o=1.1,f=-0.013) USER MOD Single : A 6 SER OG : rot 180:sc= -0.177 USER MOD Single : A 8 SER OG : rot 180:sc= 0.169 USER MOD Single : A 11 THR OG1 : rot -97:sc= 0.00825 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= 2.28 (180deg=0.501) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= 1.68 (180deg=0.591) USER MOD Single : A 24 ASN : amide:sc= 1.11 K(o=1.1,f=-0.051) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0447 (180deg=-1.86!) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 1.41 (180deg=0.0043!) USER MOD Single : A 35 ASN : amide:sc= -5.03 K(o=-5,f=-5.8!) USER MOD Single : A 41 SER OG : rot 158:sc= 1.2 USER MOD Single : A 43 THR OG1 : rot 154:sc= 1.4 USER MOD Single : A 49 SER OG : rot -99:sc= 0.877 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.147 X(o=0.15,f=-0.024) USER MOD Single : A 59 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.7!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0602 USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 0.635 (180deg=0.321) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 0.792 (180deg=-2.06!) USER MOD Single : A 77 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.22) USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= -1.6! (180deg=-1.83!) USER MOD Single : A 80 SER OG : rot 73:sc= 1.05 USER MOD Single : A 83 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.886) USER MOD Single : A 84 GLN : amide:sc= 0.941 K(o=0.94,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.574 2.814 -0.447 1.00 0.00 N ATOM 2 CA MET A 1 16.682 2.544 -1.579 1.00 0.00 C ATOM 3 C MET A 1 15.777 3.751 -1.709 1.00 0.00 C ATOM 4 O MET A 1 15.104 4.122 -0.752 1.00 0.00 O ATOM 5 CB MET A 1 15.900 1.236 -1.413 1.00 0.00 C ATOM 6 CG MET A 1 15.022 0.962 -2.640 1.00 0.00 C ATOM 7 SD MET A 1 14.360 -0.721 -2.687 1.00 0.00 S ATOM 8 CE MET A 1 13.305 -0.622 -4.158 1.00 0.00 C ATOM 0 H1 MET A 1 18.162 1.977 -0.261 1.00 0.00 H new ATOM 0 H2 MET A 1 18.186 3.624 -0.673 1.00 0.00 H new ATOM 0 H3 MET A 1 17.007 3.033 0.397 1.00 0.00 H new ATOM 0 HA MET A 1 17.257 2.397 -2.493 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.595 0.409 -1.266 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.277 1.291 -0.520 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.194 1.671 -2.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.606 1.140 -3.543 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.535 -1.392 -4.106 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.834 0.360 -4.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.911 -0.775 -5.051 1.00 0.00 H new ATOM 18 N GLU A 2 15.834 4.414 -2.857 1.00 0.00 N ATOM 19 CA GLU A 2 15.572 5.842 -2.960 1.00 0.00 C ATOM 20 C GLU A 2 14.119 6.010 -3.408 1.00 0.00 C ATOM 21 O GLU A 2 13.812 6.440 -4.521 1.00 0.00 O ATOM 22 CB GLU A 2 16.641 6.466 -3.878 1.00 0.00 C ATOM 23 CG GLU A 2 18.060 6.508 -3.252 1.00 0.00 C ATOM 24 CD GLU A 2 18.552 5.166 -2.678 1.00 0.00 C ATOM 25 OE1 GLU A 2 18.554 4.145 -3.404 1.00 0.00 O ATOM 26 OE2 GLU A 2 18.742 5.068 -1.444 1.00 0.00 O ATOM 0 H GLU A 2 16.065 3.973 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 2 15.660 6.380 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.682 5.900 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.338 7.481 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.767 6.844 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.069 7.253 -2.456 1.00 0.00 H new ATOM 33 N LEU A 3 13.230 5.536 -2.534 1.00 0.00 N ATOM 34 CA LEU A 3 11.815 5.415 -2.737 1.00 0.00 C ATOM 35 C LEU A 3 11.152 6.779 -2.929 1.00 0.00 C ATOM 36 O LEU A 3 11.692 7.843 -2.632 1.00 0.00 O ATOM 37 CB LEU A 3 11.155 4.640 -1.573 1.00 0.00 C ATOM 38 CG LEU A 3 11.571 3.160 -1.444 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.922 2.531 -0.209 1.00 0.00 C ATOM 40 CD2 LEU A 3 11.192 2.333 -2.681 1.00 0.00 C ATOM 0 H LEU A 3 13.514 5.209 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 3 11.665 4.847 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.392 5.149 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.073 4.686 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 3 12.657 3.149 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.225 1.487 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.241 3.069 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.837 2.589 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.507 1.299 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.112 2.367 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.687 2.745 -3.560 1.00 0.00 H new ATOM 52 N LYS A 4 9.918 6.731 -3.419 1.00 0.00 N ATOM 53 CA LYS A 4 8.928 7.772 -3.300 1.00 0.00 C ATOM 54 C LYS A 4 8.781 8.047 -1.805 1.00 0.00 C ATOM 55 O LYS A 4 8.655 7.117 -1.019 1.00 0.00 O ATOM 56 CB LYS A 4 7.625 7.359 -4.017 1.00 0.00 C ATOM 57 CG LYS A 4 7.565 6.034 -4.812 1.00 0.00 C ATOM 58 CD LYS A 4 7.878 6.097 -6.313 1.00 0.00 C ATOM 59 CE LYS A 4 9.319 6.346 -6.765 1.00 0.00 C ATOM 60 NZ LYS A 4 9.832 7.672 -6.362 1.00 0.00 N ATOM 0 H LYS A 4 9.573 5.921 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 4 9.218 8.699 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.839 7.320 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.366 8.162 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.261 5.333 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.566 5.615 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.553 5.155 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.258 6.883 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.963 5.572 -6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.374 6.256 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.282 8.133 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.045 8.260 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.531 7.557 -5.601 1.00 0.00 H new ATOM 74 N ASN A 5 8.883 9.312 -1.397 1.00 0.00 N ATOM 75 CA ASN A 5 8.894 9.639 0.029 1.00 0.00 C ATOM 76 C ASN A 5 7.509 9.430 0.649 1.00 0.00 C ATOM 77 O ASN A 5 7.396 9.297 1.866 1.00 0.00 O ATOM 78 CB ASN A 5 9.358 11.094 0.241 1.00 0.00 C ATOM 79 CG ASN A 5 10.036 11.351 1.591 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.024 12.073 1.643 1.00 0.00 O ATOM 81 ND2 ASN A 5 9.559 10.805 2.696 1.00 0.00 N ATOM 0 H ASN A 5 8.958 10.115 -2.021 1.00 0.00 H new ATOM 0 HA ASN A 5 9.595 8.969 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.051 11.362 -0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.496 11.755 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.014 10.985 3.591 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.736 10.204 2.654 1.00 0.00 H new ATOM 88 N SER A 6 6.445 9.473 -0.157 1.00 0.00 N ATOM 89 CA SER A 6 5.068 9.544 0.305 1.00 0.00 C ATOM 90 C SER A 6 4.135 9.119 -0.814 1.00 0.00 C ATOM 91 O SER A 6 4.541 9.137 -1.982 1.00 0.00 O ATOM 92 CB SER A 6 4.762 10.996 0.658 1.00 0.00 C ATOM 93 OG SER A 6 5.672 11.558 1.585 1.00 0.00 O ATOM 0 H SER A 6 6.526 9.459 -1.174 1.00 0.00 H new ATOM 0 HA SER A 6 4.930 8.892 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.771 11.592 -0.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.754 11.057 1.069 1.00 0.00 H new ATOM 0 HG SER A 6 5.421 12.488 1.767 1.00 0.00 H new ATOM 99 N ILE A 7 2.881 8.817 -0.450 1.00 0.00 N ATOM 100 CA ILE A 7 1.784 8.466 -1.339 1.00 0.00 C ATOM 101 C ILE A 7 1.809 9.317 -2.598 1.00 0.00 C ATOM 102 O ILE A 7 1.617 8.817 -3.698 1.00 0.00 O ATOM 103 CB ILE A 7 0.442 8.522 -0.574 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.060 7.043 -0.372 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.674 9.356 -1.241 1.00 0.00 C ATOM 106 CD1 ILE A 7 -1.387 6.821 -0.041 1.00 0.00 C ATOM 0 H ILE A 7 2.597 8.813 0.530 1.00 0.00 H new ATOM 0 HA ILE A 7 1.904 7.438 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 7 0.563 9.061 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.303 6.490 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.672 6.627 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.570 9.327 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.341 10.388 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.900 8.942 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.572 5.754 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.633 7.344 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.008 7.204 -0.851 1.00 0.00 H new ATOM 118 N SER A 8 2.081 10.605 -2.451 1.00 0.00 N ATOM 119 CA SER A 8 1.874 11.582 -3.497 1.00 0.00 C ATOM 120 C SER A 8 2.890 11.459 -4.634 1.00 0.00 C ATOM 121 O SER A 8 2.679 12.029 -5.705 1.00 0.00 O ATOM 122 CB SER A 8 1.891 12.970 -2.834 1.00 0.00 C ATOM 123 OG SER A 8 2.241 12.951 -1.449 1.00 0.00 O ATOM 0 H SER A 8 2.456 11.001 -1.589 1.00 0.00 H new ATOM 0 HA SER A 8 0.912 11.410 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.597 13.607 -3.367 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.906 13.425 -2.943 1.00 0.00 H new ATOM 0 HG SER A 8 2.233 13.866 -1.097 1.00 0.00 H new ATOM 129 N ASP A 9 3.955 10.682 -4.436 1.00 0.00 N ATOM 130 CA ASP A 9 4.903 10.323 -5.480 1.00 0.00 C ATOM 131 C ASP A 9 4.726 8.855 -5.906 1.00 0.00 C ATOM 132 O ASP A 9 5.305 8.437 -6.902 1.00 0.00 O ATOM 133 CB ASP A 9 6.324 10.652 -4.996 1.00 0.00 C ATOM 134 CG ASP A 9 7.343 10.575 -6.140 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.074 11.189 -7.197 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.386 9.898 -5.989 1.00 0.00 O ATOM 0 H ASP A 9 4.183 10.279 -3.527 1.00 0.00 H new ATOM 0 HA ASP A 9 4.715 10.910 -6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.339 11.652 -4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.610 9.957 -4.206 1.00 0.00 H new ATOM 141 N TYR A 10 3.882 8.085 -5.214 1.00 0.00 N ATOM 142 CA TYR A 10 3.665 6.641 -5.347 1.00 0.00 C ATOM 143 C TYR A 10 2.506 6.327 -6.285 1.00 0.00 C ATOM 144 O TYR A 10 1.485 5.803 -5.863 1.00 0.00 O ATOM 145 CB TYR A 10 3.378 6.051 -3.957 1.00 0.00 C ATOM 146 CG TYR A 10 4.490 5.258 -3.368 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.780 4.002 -3.908 1.00 0.00 C ATOM 148 CD2 TYR A 10 5.235 5.772 -2.309 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.826 3.235 -3.375 1.00 0.00 C ATOM 150 CE2 TYR A 10 6.350 5.059 -1.851 1.00 0.00 C ATOM 151 CZ TYR A 10 6.633 3.773 -2.353 1.00 0.00 C ATOM 152 OH TYR A 10 7.680 3.067 -1.862 1.00 0.00 O ATOM 0 H TYR A 10 3.286 8.486 -4.490 1.00 0.00 H new ATOM 0 HA TYR A 10 4.564 6.197 -5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.133 6.866 -3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.495 5.416 -4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.199 3.622 -4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.956 6.708 -1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.012 2.238 -3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.998 5.498 -1.107 1.00 0.00 H new ATOM 0 HH TYR A 10 7.958 3.449 -1.003 1.00 0.00 H new ATOM 162 N THR A 11 2.661 6.681 -7.552 1.00 0.00 N ATOM 163 CA THR A 11 1.728 6.409 -8.645 1.00 0.00 C ATOM 164 C THR A 11 1.010 5.100 -8.388 1.00 0.00 C ATOM 165 O THR A 11 1.593 4.130 -7.903 1.00 0.00 O ATOM 166 CB THR A 11 2.335 6.272 -10.057 1.00 0.00 C ATOM 167 OG1 THR A 11 3.214 5.183 -10.147 1.00 0.00 O ATOM 168 CG2 THR A 11 3.105 7.399 -10.693 1.00 0.00 C ATOM 0 H THR A 11 3.485 7.194 -7.866 1.00 0.00 H new ATOM 0 HA THR A 11 1.087 7.291 -8.647 1.00 0.00 H new ATOM 0 HB THR A 11 1.393 6.195 -10.599 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.135 5.495 -10.024 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.444 7.095 -11.683 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.462 8.274 -10.783 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.968 7.645 -10.074 1.00 0.00 H new ATOM 176 N GLU A 12 -0.244 5.070 -8.772 1.00 0.00 N ATOM 177 CA GLU A 12 -1.120 3.928 -8.548 1.00 0.00 C ATOM 178 C GLU A 12 -0.486 2.544 -8.819 1.00 0.00 C ATOM 179 O GLU A 12 -0.801 1.576 -8.123 1.00 0.00 O ATOM 180 CB GLU A 12 -2.413 4.123 -9.353 1.00 0.00 C ATOM 181 CG GLU A 12 -3.592 3.735 -8.475 1.00 0.00 C ATOM 182 CD GLU A 12 -4.955 3.789 -9.164 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.444 4.906 -9.451 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.681 2.768 -9.173 1.00 0.00 O ATOM 0 H GLU A 12 -0.698 5.845 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.332 3.908 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.506 5.160 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.394 3.510 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.430 2.724 -8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.613 4.396 -7.608 1.00 0.00 H new ATOM 191 N THR A 13 0.436 2.434 -9.783 1.00 0.00 N ATOM 192 CA THR A 13 1.152 1.191 -10.061 1.00 0.00 C ATOM 193 C THR A 13 2.528 1.128 -9.352 1.00 0.00 C ATOM 194 O THR A 13 2.979 0.020 -9.072 1.00 0.00 O ATOM 195 CB THR A 13 1.269 1.033 -11.587 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.006 1.215 -12.174 1.00 0.00 O ATOM 197 CG2 THR A 13 1.773 -0.345 -12.029 1.00 0.00 C ATOM 0 H THR A 13 0.704 3.208 -10.391 1.00 0.00 H new ATOM 0 HA THR A 13 0.589 0.352 -9.653 1.00 0.00 H new ATOM 0 HB THR A 13 1.994 1.780 -11.910 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.065 1.117 -13.147 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.829 -0.380 -13.117 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.763 -0.522 -11.609 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.086 -1.114 -11.676 1.00 0.00 H new ATOM 205 N GLU A 14 3.214 2.228 -9.000 1.00 0.00 N ATOM 206 CA GLU A 14 4.336 2.168 -8.072 1.00 0.00 C ATOM 207 C GLU A 14 3.876 1.719 -6.687 1.00 0.00 C ATOM 208 O GLU A 14 4.552 0.876 -6.092 1.00 0.00 O ATOM 209 CB GLU A 14 5.043 3.526 -7.997 1.00 0.00 C ATOM 210 CG GLU A 14 5.790 3.786 -9.309 1.00 0.00 C ATOM 211 CD GLU A 14 6.506 5.143 -9.312 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.781 6.164 -9.347 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.757 5.180 -9.263 1.00 0.00 O ATOM 0 H GLU A 14 3.005 3.164 -9.348 1.00 0.00 H new ATOM 0 HA GLU A 14 5.047 1.430 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.315 4.317 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.741 3.539 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.519 2.993 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.085 3.748 -10.140 1.00 0.00 H new ATOM 220 N PHE A 15 2.742 2.225 -6.169 1.00 0.00 N ATOM 221 CA PHE A 15 2.244 1.707 -4.902 1.00 0.00 C ATOM 222 C PHE A 15 1.862 0.253 -5.077 1.00 0.00 C ATOM 223 O PHE A 15 2.234 -0.546 -4.227 1.00 0.00 O ATOM 224 CB PHE A 15 1.082 2.534 -4.335 1.00 0.00 C ATOM 225 CG PHE A 15 0.916 2.350 -2.834 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.972 2.700 -1.972 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.261 1.804 -2.286 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.850 2.524 -0.587 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.386 1.653 -0.891 1.00 0.00 C ATOM 230 CZ PHE A 15 0.659 2.043 -0.032 1.00 0.00 C ATOM 0 H PHE A 15 2.179 2.962 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 15 3.043 1.786 -4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.251 3.589 -4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.158 2.249 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.884 3.108 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.068 1.501 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.683 2.762 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.291 1.234 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.543 1.972 1.039 1.00 0.00 H new ATOM 240 N LYS A 16 1.247 -0.149 -6.199 1.00 0.00 N ATOM 241 CA LYS A 16 1.122 -1.558 -6.467 1.00 0.00 C ATOM 242 C LYS A 16 2.442 -2.258 -6.380 1.00 0.00 C ATOM 243 O LYS A 16 2.424 -3.258 -5.710 1.00 0.00 O ATOM 244 CB LYS A 16 0.630 -1.782 -7.879 1.00 0.00 C ATOM 245 CG LYS A 16 -0.204 -3.046 -7.858 1.00 0.00 C ATOM 246 CD LYS A 16 -1.652 -2.584 -7.858 1.00 0.00 C ATOM 247 CE LYS A 16 -1.979 -2.361 -9.319 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.273 -3.667 -9.963 1.00 0.00 N ATOM 0 H LYS A 16 0.846 0.470 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 16 0.428 -1.949 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.037 -0.934 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.468 -1.884 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.008 -3.669 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.016 -3.645 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.308 -3.333 -7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.777 -1.669 -7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.837 -1.695 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.142 -1.876 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.852 -3.688 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.871 -4.435 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.303 -3.793 -10.038 1.00 0.00 H new ATOM 262 N LYS A 17 3.551 -1.829 -6.994 1.00 0.00 N ATOM 263 CA LYS A 17 4.756 -2.609 -6.890 1.00 0.00 C ATOM 264 C LYS A 17 5.042 -2.901 -5.427 1.00 0.00 C ATOM 265 O LYS A 17 5.352 -4.045 -5.158 1.00 0.00 O ATOM 266 CB LYS A 17 5.924 -1.898 -7.583 1.00 0.00 C ATOM 267 CG LYS A 17 6.940 -2.876 -8.185 1.00 0.00 C ATOM 268 CD LYS A 17 7.470 -3.942 -7.206 1.00 0.00 C ATOM 269 CE LYS A 17 8.750 -4.630 -7.671 1.00 0.00 C ATOM 270 NZ LYS A 17 9.133 -5.749 -6.775 1.00 0.00 N ATOM 0 H LYS A 17 3.625 -0.975 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 17 4.624 -3.561 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.535 -1.254 -8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.429 -1.253 -6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.479 -3.380 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.785 -2.307 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.652 -3.474 -6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.698 -4.697 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.612 -5.007 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.560 -3.902 -7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.145 -5.957 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.946 -5.482 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.576 -6.593 -7.017 1.00 0.00 H new ATOM 284 N ILE A 18 4.877 -1.962 -4.491 1.00 0.00 N ATOM 285 CA ILE A 18 5.123 -2.328 -3.093 1.00 0.00 C ATOM 286 C ILE A 18 4.143 -3.393 -2.609 1.00 0.00 C ATOM 287 O ILE A 18 4.537 -4.437 -2.099 1.00 0.00 O ATOM 288 CB ILE A 18 5.228 -1.082 -2.192 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.449 -1.385 -1.308 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.014 -0.610 -1.375 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.693 -0.415 -0.172 1.00 0.00 C ATOM 0 H ILE A 18 4.591 -0.997 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 18 6.102 -2.803 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 18 5.307 -0.211 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.332 -2.385 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.336 -1.406 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.283 0.280 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.191 -0.374 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.707 -1.400 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.577 -0.723 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.849 0.586 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.829 -0.408 0.493 1.00 0.00 H new ATOM 303 N ILE A 19 2.869 -3.118 -2.828 1.00 0.00 N ATOM 304 CA ILE A 19 1.731 -3.901 -2.360 1.00 0.00 C ATOM 305 C ILE A 19 1.670 -5.319 -3.002 1.00 0.00 C ATOM 306 O ILE A 19 1.302 -6.319 -2.380 1.00 0.00 O ATOM 307 CB ILE A 19 0.488 -3.009 -2.612 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.463 -1.703 -1.793 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.850 -3.679 -2.369 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.651 -1.862 -0.290 1.00 0.00 C ATOM 0 H ILE A 19 2.582 -2.300 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 19 1.803 -4.140 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 19 0.609 -2.797 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.245 -1.044 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.489 -1.203 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.654 -2.971 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.950 -4.542 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.910 -4.006 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.616 -0.882 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.145 -2.489 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.616 -2.328 -0.091 1.00 0.00 H new ATOM 322 N GLU A 20 2.047 -5.439 -4.265 1.00 0.00 N ATOM 323 CA GLU A 20 2.108 -6.663 -5.035 1.00 0.00 C ATOM 324 C GLU A 20 3.381 -7.417 -4.665 1.00 0.00 C ATOM 325 O GLU A 20 3.313 -8.625 -4.473 1.00 0.00 O ATOM 326 CB GLU A 20 1.932 -6.402 -6.532 1.00 0.00 C ATOM 327 CG GLU A 20 0.579 -6.847 -7.123 1.00 0.00 C ATOM 328 CD GLU A 20 0.236 -6.237 -8.502 1.00 0.00 C ATOM 329 OE1 GLU A 20 1.146 -6.096 -9.346 1.00 0.00 O ATOM 330 OE2 GLU A 20 -0.944 -5.849 -8.722 1.00 0.00 O ATOM 0 H GLU A 20 2.337 -4.628 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 20 1.268 -7.310 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.057 -5.335 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.731 -6.913 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.578 -7.933 -7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.211 -6.585 -6.420 1.00 0.00 H new ATOM 337 N ASP A 21 4.523 -6.731 -4.523 1.00 0.00 N ATOM 338 CA ASP A 21 5.816 -7.315 -4.143 1.00 0.00 C ATOM 339 C ASP A 21 5.660 -8.141 -2.874 1.00 0.00 C ATOM 340 O ASP A 21 6.033 -9.318 -2.865 1.00 0.00 O ATOM 341 CB ASP A 21 6.842 -6.185 -3.979 1.00 0.00 C ATOM 342 CG ASP A 21 8.205 -6.561 -3.433 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.302 -7.194 -2.363 1.00 0.00 O ATOM 344 OD2 ASP A 21 9.211 -6.133 -4.056 1.00 0.00 O ATOM 0 H ASP A 21 4.574 -5.724 -4.674 1.00 0.00 H new ATOM 0 HA ASP A 21 6.175 -7.989 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.986 -5.715 -4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.411 -5.430 -3.321 1.00 0.00 H new ATOM 349 N ILE A 22 5.025 -7.557 -1.854 1.00 0.00 N ATOM 350 CA ILE A 22 4.711 -8.254 -0.620 1.00 0.00 C ATOM 351 C ILE A 22 3.827 -9.469 -0.840 1.00 0.00 C ATOM 352 O ILE A 22 4.210 -10.557 -0.417 1.00 0.00 O ATOM 353 CB ILE A 22 4.096 -7.327 0.438 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.911 -6.445 0.027 1.00 0.00 C ATOM 355 CG2 ILE A 22 5.229 -6.475 1.022 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.510 -5.309 0.972 1.00 0.00 C ATOM 0 H ILE A 22 4.717 -6.585 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 22 5.668 -8.609 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 22 3.633 -7.993 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.139 -6.008 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.043 -7.091 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.826 -5.803 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.977 -7.126 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.691 -5.890 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.659 -4.771 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.236 -5.723 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.349 -4.624 1.093 1.00 0.00 H new ATOM 368 N ILE A 23 2.646 -9.282 -1.432 1.00 0.00 N ATOM 369 CA ILE A 23 1.714 -10.404 -1.620 1.00 0.00 C ATOM 370 C ILE A 23 2.339 -11.566 -2.424 1.00 0.00 C ATOM 371 O ILE A 23 2.105 -12.726 -2.086 1.00 0.00 O ATOM 372 CB ILE A 23 0.376 -9.915 -2.223 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.401 -8.971 -1.270 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.537 -11.089 -2.629 1.00 0.00 C ATOM 375 CD1 ILE A 23 -0.876 -9.578 0.059 1.00 0.00 C ATOM 0 H ILE A 23 2.313 -8.385 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 23 1.496 -10.816 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 23 0.651 -9.351 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.234 -8.114 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.273 -8.591 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.465 -10.700 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.031 -11.702 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.761 -11.696 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.406 -8.820 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.545 -10.415 -0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.015 -9.930 0.627 1.00 0.00 H new ATOM 387 N ASN A 24 3.125 -11.309 -3.476 1.00 0.00 N ATOM 388 CA ASN A 24 3.838 -12.298 -4.251 1.00 0.00 C ATOM 389 C ASN A 24 4.860 -12.997 -3.379 1.00 0.00 C ATOM 390 O ASN A 24 4.998 -14.217 -3.414 1.00 0.00 O ATOM 391 CB ASN A 24 4.606 -11.498 -5.289 1.00 0.00 C ATOM 392 CG ASN A 24 3.897 -11.356 -6.590 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.994 -12.159 -7.510 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.233 -10.242 -6.674 1.00 0.00 N ATOM 0 H ASN A 24 3.280 -10.360 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 24 3.160 -13.038 -4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.811 -10.505 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.569 -11.977 -5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.756 -9.997 -7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.189 -9.613 -5.872 1.00 0.00 H new ATOM 401 N CYS A 25 5.586 -12.143 -2.663 1.00 0.00 N ATOM 402 CA CYS A 25 6.569 -12.373 -1.604 1.00 0.00 C ATOM 403 C CYS A 25 7.974 -12.300 -2.204 1.00 0.00 C ATOM 404 O CYS A 25 8.736 -13.268 -2.165 1.00 0.00 O ATOM 405 CB CYS A 25 6.349 -13.689 -0.831 1.00 0.00 C ATOM 406 SG CYS A 25 4.715 -13.766 -0.036 1.00 0.00 S ATOM 0 H CYS A 25 5.486 -11.142 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 25 6.443 -11.587 -0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.456 -14.531 -1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.124 -13.794 -0.072 1.00 0.00 H new ATOM 0 HG CYS A 25 4.187 -12.578 -0.012 1.00 0.00 H new ATOM 411 N GLU A 26 8.334 -11.156 -2.790 1.00 0.00 N ATOM 412 CA GLU A 26 9.573 -10.910 -3.489 1.00 0.00 C ATOM 413 C GLU A 26 10.760 -10.724 -2.519 1.00 0.00 C ATOM 414 O GLU A 26 11.478 -9.719 -2.553 1.00 0.00 O ATOM 415 CB GLU A 26 9.348 -9.730 -4.451 1.00 0.00 C ATOM 416 CG GLU A 26 10.273 -9.786 -5.668 1.00 0.00 C ATOM 417 CD GLU A 26 10.066 -8.572 -6.585 1.00 0.00 C ATOM 418 OE1 GLU A 26 8.947 -8.389 -7.118 1.00 0.00 O ATOM 419 OE2 GLU A 26 10.994 -7.742 -6.746 1.00 0.00 O ATOM 0 H GLU A 26 7.726 -10.337 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 26 9.859 -11.780 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.311 -9.730 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.510 -8.794 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.311 -9.821 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.086 -10.703 -6.227 1.00 0.00 H new ATOM 426 N GLY A 27 10.975 -11.688 -1.624 1.00 0.00 N ATOM 427 CA GLY A 27 12.088 -11.694 -0.692 1.00 0.00 C ATOM 428 C GLY A 27 11.925 -12.741 0.399 1.00 0.00 C ATOM 429 O GLY A 27 12.459 -13.839 0.267 1.00 0.00 O ATOM 0 H GLY A 27 10.365 -12.500 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.013 -11.882 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.181 -10.709 -0.235 1.00 0.00 H new ATOM 433 N ASP A 28 11.264 -12.376 1.498 1.00 0.00 N ATOM 434 CA ASP A 28 11.235 -13.000 2.787 1.00 0.00 C ATOM 435 C ASP A 28 10.119 -12.268 3.541 1.00 0.00 C ATOM 436 O ASP A 28 9.684 -11.179 3.150 1.00 0.00 O ATOM 437 CB ASP A 28 12.578 -12.734 3.478 1.00 0.00 C ATOM 438 CG ASP A 28 12.604 -13.312 4.890 1.00 0.00 C ATOM 439 OD1 ASP A 28 12.207 -14.483 5.035 1.00 0.00 O ATOM 440 OD2 ASP A 28 12.927 -12.541 5.819 1.00 0.00 O ATOM 0 H ASP A 28 10.677 -11.542 1.487 1.00 0.00 H new ATOM 0 HA ASP A 28 11.069 -14.076 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.384 -13.172 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.761 -11.660 3.520 1.00 0.00 H new ATOM 445 N GLU A 29 9.726 -12.825 4.663 1.00 0.00 N ATOM 446 CA GLU A 29 8.899 -12.216 5.706 1.00 0.00 C ATOM 447 C GLU A 29 9.454 -10.843 6.081 1.00 0.00 C ATOM 448 O GLU A 29 8.690 -9.878 6.133 1.00 0.00 O ATOM 449 CB GLU A 29 8.846 -13.122 6.954 1.00 0.00 C ATOM 450 CG GLU A 29 8.119 -14.463 6.742 1.00 0.00 C ATOM 451 CD GLU A 29 8.129 -15.382 7.982 1.00 0.00 C ATOM 452 OE1 GLU A 29 8.332 -14.879 9.113 1.00 0.00 O ATOM 453 OE2 GLU A 29 7.911 -16.603 7.796 1.00 0.00 O ATOM 0 H GLU A 29 9.988 -13.782 4.897 1.00 0.00 H new ATOM 0 HA GLU A 29 7.887 -12.098 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.865 -13.324 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.352 -12.579 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.086 -14.264 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.584 -14.989 5.908 1.00 0.00 H new ATOM 460 N LYS A 30 10.771 -10.683 6.285 1.00 0.00 N ATOM 461 CA LYS A 30 11.300 -9.373 6.616 1.00 0.00 C ATOM 462 C LYS A 30 11.134 -8.324 5.550 1.00 0.00 C ATOM 463 O LYS A 30 11.078 -7.148 5.875 1.00 0.00 O ATOM 464 CB LYS A 30 12.767 -9.504 6.982 1.00 0.00 C ATOM 465 CG LYS A 30 12.858 -10.002 8.431 1.00 0.00 C ATOM 466 CD LYS A 30 13.140 -8.871 9.444 1.00 0.00 C ATOM 467 CE LYS A 30 12.116 -7.735 9.266 1.00 0.00 C ATOM 468 NZ LYS A 30 12.093 -6.720 10.338 1.00 0.00 N ATOM 0 H LYS A 30 11.464 -11.429 6.226 1.00 0.00 H new ATOM 0 HA LYS A 30 10.705 -9.019 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.266 -10.201 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.272 -8.544 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.924 -10.496 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.647 -10.751 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.089 -9.261 10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.150 -8.487 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.319 -7.233 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.122 -8.176 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.753 -5.816 9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.457 -7.033 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.053 -6.595 10.719 1.00 0.00 H new ATOM 482 N LYS A 31 11.083 -8.719 4.296 1.00 0.00 N ATOM 483 CA LYS A 31 10.759 -7.865 3.201 1.00 0.00 C ATOM 484 C LYS A 31 9.321 -7.356 3.341 1.00 0.00 C ATOM 485 O LYS A 31 9.076 -6.188 3.054 1.00 0.00 O ATOM 486 CB LYS A 31 11.001 -8.690 1.941 1.00 0.00 C ATOM 487 CG LYS A 31 11.587 -7.876 0.800 1.00 0.00 C ATOM 488 CD LYS A 31 10.713 -6.704 0.330 1.00 0.00 C ATOM 489 CE LYS A 31 11.205 -6.127 -1.002 1.00 0.00 C ATOM 490 NZ LYS A 31 10.939 -7.048 -2.124 1.00 0.00 N ATOM 0 H LYS A 31 11.275 -9.680 4.013 1.00 0.00 H new ATOM 0 HA LYS A 31 11.374 -6.966 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.676 -9.513 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.059 -9.133 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.556 -7.486 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.766 -8.539 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.682 -7.040 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.716 -5.921 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.713 -5.172 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.275 -5.928 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.012 -6.530 -3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.636 -7.820 -2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.982 -7.444 -2.029 1.00 0.00 H new ATOM 504 N GLN A 32 8.376 -8.196 3.782 1.00 0.00 N ATOM 505 CA GLN A 32 7.032 -7.733 4.092 1.00 0.00 C ATOM 506 C GLN A 32 7.063 -6.773 5.271 1.00 0.00 C ATOM 507 O GLN A 32 6.482 -5.711 5.146 1.00 0.00 O ATOM 508 CB GLN A 32 6.052 -8.877 4.389 1.00 0.00 C ATOM 509 CG GLN A 32 6.078 -10.011 3.360 1.00 0.00 C ATOM 510 CD GLN A 32 4.872 -10.941 3.515 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.279 -11.072 4.583 1.00 0.00 O ATOM 512 NE2 GLN A 32 4.464 -11.610 2.454 1.00 0.00 N ATOM 0 H GLN A 32 8.524 -9.194 3.929 1.00 0.00 H new ATOM 0 HA GLN A 32 6.671 -7.223 3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.279 -9.289 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.042 -8.471 4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.087 -9.590 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.998 -10.585 3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.953 -11.504 1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.659 -12.233 2.522 1.00 0.00 H new ATOM 521 N ASP A 33 7.723 -7.105 6.383 1.00 0.00 N ATOM 522 CA ASP A 33 7.887 -6.203 7.550 1.00 0.00 C ATOM 523 C ASP A 33 8.439 -4.835 7.157 1.00 0.00 C ATOM 524 O ASP A 33 7.937 -3.806 7.603 1.00 0.00 O ATOM 525 CB ASP A 33 8.875 -6.869 8.511 1.00 0.00 C ATOM 526 CG ASP A 33 9.307 -6.103 9.766 1.00 0.00 C ATOM 527 OD1 ASP A 33 10.059 -5.112 9.654 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.354 -6.768 10.828 1.00 0.00 O ATOM 0 H ASP A 33 8.167 -8.014 6.510 1.00 0.00 H new ATOM 0 HA ASP A 33 6.909 -6.043 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.437 -7.813 8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.775 -7.112 7.945 1.00 0.00 H new ATOM 533 N ASP A 34 9.444 -4.849 6.289 1.00 0.00 N ATOM 534 CA ASP A 34 10.175 -3.668 5.846 1.00 0.00 C ATOM 535 C ASP A 34 9.266 -2.783 4.987 1.00 0.00 C ATOM 536 O ASP A 34 9.129 -1.583 5.228 1.00 0.00 O ATOM 537 CB ASP A 34 11.435 -4.119 5.084 1.00 0.00 C ATOM 538 CG ASP A 34 12.274 -2.988 4.475 1.00 0.00 C ATOM 539 OD1 ASP A 34 13.135 -2.446 5.208 1.00 0.00 O ATOM 540 OD2 ASP A 34 12.166 -2.780 3.244 1.00 0.00 O ATOM 0 H ASP A 34 9.783 -5.710 5.861 1.00 0.00 H new ATOM 0 HA ASP A 34 10.490 -3.070 6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.066 -4.691 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.133 -4.796 4.285 1.00 0.00 H new ATOM 545 N ASN A 35 8.528 -3.409 4.060 1.00 0.00 N ATOM 546 CA ASN A 35 7.358 -2.804 3.432 1.00 0.00 C ATOM 547 C ASN A 35 6.371 -2.308 4.469 1.00 0.00 C ATOM 548 O ASN A 35 5.750 -1.292 4.225 1.00 0.00 O ATOM 549 CB ASN A 35 6.629 -3.801 2.509 1.00 0.00 C ATOM 550 CG ASN A 35 5.174 -3.386 2.273 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.864 -2.664 1.338 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.248 -3.828 3.119 1.00 0.00 N ATOM 0 H ASN A 35 8.731 -4.352 3.728 1.00 0.00 H new ATOM 0 HA ASN A 35 7.727 -1.965 2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.150 -3.862 1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.657 -4.796 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.271 -3.564 2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.515 -4.431 3.898 1.00 0.00 H new ATOM 559 N LEU A 36 6.090 -3.052 5.532 1.00 0.00 N ATOM 560 CA LEU A 36 4.897 -2.867 6.321 1.00 0.00 C ATOM 561 C LEU A 36 4.933 -1.579 7.117 1.00 0.00 C ATOM 562 O LEU A 36 3.931 -0.871 7.152 1.00 0.00 O ATOM 563 CB LEU A 36 4.634 -4.159 7.112 1.00 0.00 C ATOM 564 CG LEU A 36 3.666 -5.109 6.391 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.511 -6.395 7.204 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.296 -4.494 6.091 1.00 0.00 C ATOM 0 H LEU A 36 6.693 -3.804 5.866 1.00 0.00 H new ATOM 0 HA LEU A 36 4.023 -2.715 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.579 -4.673 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.226 -3.905 8.090 1.00 0.00 H new ATOM 0 HG LEU A 36 4.108 -5.325 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.824 -7.069 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.482 -6.878 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.116 -6.156 8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.672 -5.228 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.818 -4.197 7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.422 -3.619 5.453 1.00 0.00 H new ATOM 578 N GLU A 37 6.104 -1.215 7.620 1.00 0.00 N ATOM 579 CA GLU A 37 6.377 0.138 8.112 1.00 0.00 C ATOM 580 C GLU A 37 6.046 1.128 7.007 1.00 0.00 C ATOM 581 O GLU A 37 5.250 2.034 7.221 1.00 0.00 O ATOM 582 CB GLU A 37 7.847 0.262 8.561 1.00 0.00 C ATOM 583 CG GLU A 37 8.172 1.544 9.360 1.00 0.00 C ATOM 584 CD GLU A 37 8.117 2.883 8.595 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.495 2.936 7.403 1.00 0.00 O ATOM 586 OE2 GLU A 37 7.731 3.894 9.231 1.00 0.00 O ATOM 0 H GLU A 37 6.899 -1.849 7.701 1.00 0.00 H new ATOM 0 HA GLU A 37 5.757 0.354 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.100 -0.605 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.486 0.228 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.478 1.605 10.198 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.172 1.436 9.781 1.00 0.00 H new ATOM 593 N HIS A 38 6.588 0.926 5.811 1.00 0.00 N ATOM 594 CA HIS A 38 6.396 1.847 4.709 1.00 0.00 C ATOM 595 C HIS A 38 4.912 1.993 4.320 1.00 0.00 C ATOM 596 O HIS A 38 4.426 3.111 4.185 1.00 0.00 O ATOM 597 CB HIS A 38 7.285 1.407 3.546 1.00 0.00 C ATOM 598 CG HIS A 38 7.530 2.527 2.590 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.238 3.673 2.865 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.997 2.636 1.342 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.143 4.459 1.782 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.443 3.847 0.814 1.00 0.00 N ATOM 0 H HIS A 38 7.170 0.120 5.584 1.00 0.00 H new ATOM 0 HA HIS A 38 6.697 2.849 5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.237 1.042 3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.814 0.576 3.021 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.740 3.885 3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.352 1.921 0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.571 5.447 1.700 1.00 0.00 H new ATOM 610 N PHE A 39 4.171 0.891 4.187 1.00 0.00 N ATOM 611 CA PHE A 39 2.715 0.776 4.014 1.00 0.00 C ATOM 612 C PHE A 39 1.921 1.436 5.155 1.00 0.00 C ATOM 613 O PHE A 39 0.719 1.670 5.003 1.00 0.00 O ATOM 614 CB PHE A 39 2.379 -0.723 3.933 1.00 0.00 C ATOM 615 CG PHE A 39 0.908 -1.057 3.738 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.237 -0.522 2.631 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.211 -1.916 4.610 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.098 -0.858 2.353 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.126 -2.264 4.333 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.783 -1.728 3.216 1.00 0.00 C ATOM 0 H PHE A 39 4.612 -0.029 4.198 1.00 0.00 H new ATOM 0 HA PHE A 39 2.427 1.303 3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.945 -1.160 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.724 -1.204 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.757 0.163 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.701 -2.307 5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.593 -0.451 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.648 -2.948 4.985 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.814 -1.984 3.020 1.00 0.00 H new ATOM 630 N ILE A 40 2.540 1.773 6.283 1.00 0.00 N ATOM 631 CA ILE A 40 1.987 2.784 7.194 1.00 0.00 C ATOM 632 C ILE A 40 2.466 4.171 6.797 1.00 0.00 C ATOM 633 O ILE A 40 1.640 5.068 6.628 1.00 0.00 O ATOM 634 CB ILE A 40 2.332 2.531 8.699 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.348 1.529 9.326 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.244 3.787 9.597 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.743 0.133 8.907 1.00 0.00 C ATOM 0 H ILE A 40 3.422 1.365 6.592 1.00 0.00 H new ATOM 0 HA ILE A 40 0.904 2.710 7.098 1.00 0.00 H new ATOM 0 HB ILE A 40 3.360 2.170 8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.362 1.615 10.412 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.330 1.747 9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.499 3.520 10.623 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.941 4.543 9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.230 4.185 9.567 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.053 -0.588 9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.707 0.055 7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.755 -0.078 9.252 1.00 0.00 H new ATOM 649 N SER A 41 3.780 4.344 6.679 1.00 0.00 N ATOM 650 CA SER A 41 4.418 5.628 6.770 1.00 0.00 C ATOM 651 C SER A 41 4.238 6.525 5.537 1.00 0.00 C ATOM 652 O SER A 41 4.445 7.739 5.587 1.00 0.00 O ATOM 653 CB SER A 41 5.891 5.396 7.101 1.00 0.00 C ATOM 654 OG SER A 41 6.238 5.842 8.395 1.00 0.00 O ATOM 0 H SER A 41 4.430 3.575 6.515 1.00 0.00 H new ATOM 0 HA SER A 41 3.926 6.191 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.115 4.333 7.016 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.509 5.911 6.366 1.00 0.00 H new ATOM 0 HG SER A 41 7.048 5.379 8.694 1.00 0.00 H new ATOM 660 N VAL A 42 3.924 5.912 4.399 1.00 0.00 N ATOM 661 CA VAL A 42 3.829 6.542 3.090 1.00 0.00 C ATOM 662 C VAL A 42 2.372 6.795 2.747 1.00 0.00 C ATOM 663 O VAL A 42 2.046 7.818 2.137 1.00 0.00 O ATOM 664 CB VAL A 42 4.577 5.652 2.125 1.00 0.00 C ATOM 665 CG1 VAL A 42 3.832 4.466 1.513 1.00 0.00 C ATOM 666 CG2 VAL A 42 5.173 6.411 0.995 1.00 0.00 C ATOM 0 H VAL A 42 3.719 4.913 4.366 1.00 0.00 H new ATOM 0 HA VAL A 42 4.290 7.529 3.050 1.00 0.00 H new ATOM 0 HB VAL A 42 5.326 5.235 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.499 3.924 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.494 3.800 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.970 4.828 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.699 5.724 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.383 6.918 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.875 7.149 1.383 1.00 0.00 H new ATOM 676 N THR A 43 1.518 5.850 3.135 1.00 0.00 N ATOM 677 CA THR A 43 0.095 5.980 3.338 1.00 0.00 C ATOM 678 C THR A 43 -0.117 6.950 4.510 1.00 0.00 C ATOM 679 O THR A 43 0.806 7.552 5.049 1.00 0.00 O ATOM 680 CB THR A 43 -0.524 4.562 3.511 1.00 0.00 C ATOM 681 OG1 THR A 43 0.444 3.550 3.320 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.521 4.265 2.409 1.00 0.00 C ATOM 0 H THR A 43 1.839 4.901 3.328 1.00 0.00 H new ATOM 0 HA THR A 43 -0.429 6.410 2.484 1.00 0.00 H new ATOM 0 HB THR A 43 -0.960 4.563 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.176 2.745 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.938 3.268 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.324 5.002 2.436 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.019 4.311 1.442 1.00 0.00 H new ATOM 690 N GLU A 44 -1.372 7.143 4.883 1.00 0.00 N ATOM 691 CA GLU A 44 -1.764 7.634 6.172 1.00 0.00 C ATOM 692 C GLU A 44 -2.842 6.671 6.698 1.00 0.00 C ATOM 693 O GLU A 44 -3.634 7.045 7.555 1.00 0.00 O ATOM 694 CB GLU A 44 -2.211 9.112 6.094 1.00 0.00 C ATOM 695 CG GLU A 44 -1.103 10.138 5.767 1.00 0.00 C ATOM 696 CD GLU A 44 -1.672 11.519 5.399 1.00 0.00 C ATOM 697 OE1 GLU A 44 -2.740 11.911 5.922 1.00 0.00 O ATOM 698 OE2 GLU A 44 -1.188 12.135 4.421 1.00 0.00 O ATOM 0 H GLU A 44 -2.163 6.953 4.268 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.933 7.648 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.991 9.196 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.662 9.385 7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.440 10.239 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.499 9.765 4.940 1.00 0.00 H new ATOM 705 N HIS A 45 -2.930 5.456 6.120 1.00 0.00 N ATOM 706 CA HIS A 45 -4.009 4.513 6.353 1.00 0.00 C ATOM 707 C HIS A 45 -3.860 3.995 7.796 1.00 0.00 C ATOM 708 O HIS A 45 -2.902 3.278 8.081 1.00 0.00 O ATOM 709 CB HIS A 45 -4.034 3.371 5.315 1.00 0.00 C ATOM 710 CG HIS A 45 -5.372 2.641 5.402 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.676 1.844 6.474 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.530 2.720 4.637 1.00 0.00 C ATOM 713 CE1 HIS A 45 -6.964 1.501 6.425 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.533 2.030 5.334 1.00 0.00 N ATOM 0 H HIS A 45 -2.229 5.108 5.465 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.971 5.011 6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.890 3.772 4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.215 2.677 5.501 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.018 1.557 7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.637 3.219 3.685 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.472 0.889 7.155 1.00 0.00 H new ATOM 722 N PRO A 46 -4.766 4.357 8.715 1.00 0.00 N ATOM 723 CA PRO A 46 -4.544 4.314 10.154 1.00 0.00 C ATOM 724 C PRO A 46 -4.579 2.905 10.739 1.00 0.00 C ATOM 725 O PRO A 46 -4.291 2.746 11.922 1.00 0.00 O ATOM 726 CB PRO A 46 -5.654 5.188 10.757 1.00 0.00 C ATOM 727 CG PRO A 46 -6.769 5.158 9.710 1.00 0.00 C ATOM 728 CD PRO A 46 -5.999 5.032 8.413 1.00 0.00 C ATOM 0 HA PRO A 46 -3.543 4.676 10.390 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.996 4.793 11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.306 6.205 10.938 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.446 4.318 9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.374 6.064 9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.575 4.471 7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.805 6.015 7.984 1.00 0.00 H new ATOM 736 N SER A 47 -4.994 1.909 9.956 1.00 0.00 N ATOM 737 CA SER A 47 -5.108 0.545 10.410 1.00 0.00 C ATOM 738 C SER A 47 -3.731 -0.143 10.462 1.00 0.00 C ATOM 739 O SER A 47 -3.354 -0.651 11.515 1.00 0.00 O ATOM 740 CB SER A 47 -6.100 -0.120 9.463 1.00 0.00 C ATOM 741 OG SER A 47 -5.522 -0.268 8.194 1.00 0.00 O ATOM 0 H SER A 47 -5.261 2.040 8.980 1.00 0.00 H new ATOM 0 HA SER A 47 -5.474 0.474 11.434 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.393 -1.094 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.007 0.481 9.392 1.00 0.00 H new ATOM 0 HG SER A 47 -5.055 -1.128 8.145 1.00 0.00 H new ATOM 747 N GLY A 48 -2.975 -0.122 9.349 1.00 0.00 N ATOM 748 CA GLY A 48 -1.774 -0.922 9.162 1.00 0.00 C ATOM 749 C GLY A 48 -1.993 -2.442 9.156 1.00 0.00 C ATOM 750 O GLY A 48 -2.294 -3.082 10.158 1.00 0.00 O ATOM 0 H GLY A 48 -3.195 0.466 8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.309 -0.635 8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.067 -0.676 9.954 1.00 0.00 H new ATOM 754 N SER A 49 -1.697 -3.017 7.996 1.00 0.00 N ATOM 755 CA SER A 49 -1.468 -4.433 7.671 1.00 0.00 C ATOM 756 C SER A 49 -2.659 -5.375 7.825 1.00 0.00 C ATOM 757 O SER A 49 -2.645 -6.466 7.256 1.00 0.00 O ATOM 758 CB SER A 49 -0.305 -4.980 8.510 1.00 0.00 C ATOM 759 OG SER A 49 0.256 -6.129 7.917 1.00 0.00 O ATOM 0 H SER A 49 -1.599 -2.441 7.160 1.00 0.00 H new ATOM 0 HA SER A 49 -1.249 -4.420 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.461 -4.212 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.658 -5.221 9.513 1.00 0.00 H new ATOM 0 HG SER A 49 -0.100 -6.930 8.355 1.00 0.00 H new ATOM 765 N ASP A 50 -3.694 -4.987 8.542 1.00 0.00 N ATOM 766 CA ASP A 50 -4.982 -5.617 8.611 1.00 0.00 C ATOM 767 C ASP A 50 -5.621 -5.720 7.225 1.00 0.00 C ATOM 768 O ASP A 50 -6.189 -6.761 6.907 1.00 0.00 O ATOM 769 CB ASP A 50 -5.803 -4.737 9.550 1.00 0.00 C ATOM 770 CG ASP A 50 -6.189 -3.413 8.906 1.00 0.00 C ATOM 771 OD1 ASP A 50 -5.267 -2.755 8.358 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.373 -3.035 8.970 1.00 0.00 O ATOM 0 H ASP A 50 -3.645 -4.158 9.135 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.919 -6.642 8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.705 -5.270 9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.231 -4.545 10.458 1.00 0.00 H new ATOM 777 N LEU A 51 -5.414 -4.724 6.351 1.00 0.00 N ATOM 778 CA LEU A 51 -5.905 -4.715 4.973 1.00 0.00 C ATOM 779 C LEU A 51 -5.301 -5.852 4.136 1.00 0.00 C ATOM 780 O LEU A 51 -5.754 -6.083 3.017 1.00 0.00 O ATOM 781 CB LEU A 51 -5.544 -3.357 4.343 1.00 0.00 C ATOM 782 CG LEU A 51 -6.599 -2.231 4.437 1.00 0.00 C ATOM 783 CD1 LEU A 51 -7.363 -2.105 5.753 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.861 -0.924 4.158 1.00 0.00 C ATOM 0 H LEU A 51 -4.888 -3.884 6.593 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.984 -4.867 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.627 -3.000 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.320 -3.523 3.289 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.377 -2.477 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.070 -1.278 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.904 -3.030 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.661 -1.916 6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.562 -0.091 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.075 -0.785 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.418 -0.961 3.163 1.00 0.00 H new ATOM 796 N ILE A 52 -4.275 -6.525 4.660 1.00 0.00 N ATOM 797 CA ILE A 52 -3.399 -7.465 3.979 1.00 0.00 C ATOM 798 C ILE A 52 -3.506 -8.836 4.655 1.00 0.00 C ATOM 799 O ILE A 52 -3.668 -9.841 3.969 1.00 0.00 O ATOM 800 CB ILE A 52 -1.989 -6.836 3.920 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.926 -5.939 2.666 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.786 -7.793 4.030 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.612 -5.174 2.524 1.00 0.00 C ATOM 0 H ILE A 52 -4.021 -6.416 5.642 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.685 -7.654 2.944 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.870 -6.255 4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.074 -6.557 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.750 -5.226 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.140 -7.221 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.828 -8.323 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.818 -8.513 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.641 -4.565 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.471 -4.529 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.215 -5.881 2.459 1.00 0.00 H new ATOM 815 N TYR A 53 -3.448 -8.897 5.990 1.00 0.00 N ATOM 816 CA TYR A 53 -3.447 -10.138 6.742 1.00 0.00 C ATOM 817 C TYR A 53 -4.830 -10.517 7.284 1.00 0.00 C ATOM 818 O TYR A 53 -5.043 -11.694 7.580 1.00 0.00 O ATOM 819 CB TYR A 53 -2.438 -9.990 7.888 1.00 0.00 C ATOM 820 CG TYR A 53 -0.955 -9.919 7.525 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.426 -10.610 6.411 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.078 -9.194 8.356 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.954 -10.581 6.132 1.00 0.00 C ATOM 824 CE2 TYR A 53 1.302 -9.166 8.084 1.00 0.00 C ATOM 825 CZ TYR A 53 1.830 -9.862 6.974 1.00 0.00 C ATOM 826 OH TYR A 53 3.171 -9.829 6.736 1.00 0.00 O ATOM 0 H TYR A 53 -3.400 -8.066 6.580 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.165 -10.949 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.691 -9.086 8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.577 -10.831 8.568 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.089 -11.167 5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.468 -8.656 9.208 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.342 -11.109 5.274 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.964 -8.607 8.730 1.00 0.00 H new ATOM 0 HH TYR A 53 3.389 -10.447 6.007 1.00 0.00 H new ATOM 836 N TYR A 54 -5.772 -9.575 7.405 1.00 0.00 N ATOM 837 CA TYR A 54 -7.115 -9.812 7.938 1.00 0.00 C ATOM 838 C TYR A 54 -8.215 -9.215 7.027 1.00 0.00 C ATOM 839 O TYR A 54 -9.158 -8.621 7.551 1.00 0.00 O ATOM 840 CB TYR A 54 -7.193 -9.250 9.376 1.00 0.00 C ATOM 841 CG TYR A 54 -6.048 -9.612 10.315 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.675 -10.955 10.512 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.344 -8.593 10.987 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.584 -11.278 11.338 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.246 -8.903 11.808 1.00 0.00 C ATOM 846 CZ TYR A 54 -3.857 -10.251 11.980 1.00 0.00 C ATOM 847 OH TYR A 54 -2.787 -10.565 12.760 1.00 0.00 O ATOM 0 H TYR A 54 -5.617 -8.606 7.128 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.299 -10.886 7.964 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.252 -8.163 9.314 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.124 -9.594 9.826 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.231 -11.743 10.025 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.651 -7.564 10.870 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.302 -12.311 11.482 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.702 -8.114 12.306 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.398 -9.744 13.127 1.00 0.00 H new ATOM 857 N PRO A 55 -8.127 -9.308 5.685 1.00 0.00 N ATOM 858 CA PRO A 55 -9.002 -8.546 4.804 1.00 0.00 C ATOM 859 C PRO A 55 -10.419 -9.122 4.738 1.00 0.00 C ATOM 860 O PRO A 55 -10.612 -10.338 4.807 1.00 0.00 O ATOM 861 CB PRO A 55 -8.334 -8.656 3.438 1.00 0.00 C ATOM 862 CG PRO A 55 -7.728 -10.034 3.451 1.00 0.00 C ATOM 863 CD PRO A 55 -7.225 -10.136 4.888 1.00 0.00 C ATOM 0 HA PRO A 55 -9.121 -7.522 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.055 -8.543 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.575 -7.886 3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.461 -10.806 3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.920 -10.133 2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.235 -11.170 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.197 -9.783 4.968 1.00 0.00 H new ATOM 871 N GLU A 56 -11.408 -8.256 4.507 1.00 0.00 N ATOM 872 CA GLU A 56 -12.774 -8.604 4.262 1.00 0.00 C ATOM 873 C GLU A 56 -13.587 -7.485 3.602 1.00 0.00 C ATOM 874 O GLU A 56 -13.175 -6.336 3.455 1.00 0.00 O ATOM 875 CB GLU A 56 -13.418 -8.909 5.602 1.00 0.00 C ATOM 876 CG GLU A 56 -13.518 -7.751 6.616 1.00 0.00 C ATOM 877 CD GLU A 56 -14.942 -7.664 7.197 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.860 -7.308 6.419 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.127 -7.992 8.391 1.00 0.00 O ATOM 0 H GLU A 56 -11.251 -7.248 4.489 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.774 -9.452 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.425 -9.283 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.859 -9.720 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.799 -7.902 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.259 -6.810 6.130 1.00 0.00 H new ATOM 886 N GLY A 57 -14.837 -7.824 3.334 1.00 0.00 N ATOM 887 CA GLY A 57 -15.898 -6.859 3.124 1.00 0.00 C ATOM 888 C GLY A 57 -15.960 -6.342 1.705 1.00 0.00 C ATOM 889 O GLY A 57 -16.467 -7.024 0.815 1.00 0.00 O ATOM 0 H GLY A 57 -15.146 -8.793 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.853 -7.318 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.756 -6.019 3.804 1.00 0.00 H new ATOM 893 N ASN A 58 -15.464 -5.125 1.502 1.00 0.00 N ATOM 894 CA ASN A 58 -15.161 -4.627 0.161 1.00 0.00 C ATOM 895 C ASN A 58 -13.915 -5.324 -0.392 1.00 0.00 C ATOM 896 O ASN A 58 -13.664 -5.293 -1.596 1.00 0.00 O ATOM 897 CB ASN A 58 -14.882 -3.121 0.227 1.00 0.00 C ATOM 898 CG ASN A 58 -14.744 -2.505 -1.144 1.00 0.00 C ATOM 899 OD1 ASN A 58 -15.700 -2.447 -1.916 1.00 0.00 O ATOM 900 ND2 ASN A 58 -13.612 -1.906 -1.414 1.00 0.00 N ATOM 0 H ASN A 58 -15.262 -4.462 2.251 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.014 -4.829 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.691 -2.627 0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.968 -2.947 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.509 -1.377 -2.280 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.833 -1.968 -0.758 1.00 0.00 H new ATOM 907 N ASN A 59 -13.131 -5.935 0.499 1.00 0.00 N ATOM 908 CA ASN A 59 -11.740 -6.255 0.247 1.00 0.00 C ATOM 909 C ASN A 59 -11.635 -7.741 -0.039 1.00 0.00 C ATOM 910 O ASN A 59 -11.802 -8.560 0.865 1.00 0.00 O ATOM 911 CB ASN A 59 -10.910 -5.832 1.460 1.00 0.00 C ATOM 912 CG ASN A 59 -9.418 -6.009 1.316 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.878 -6.249 0.246 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.743 -5.949 2.449 1.00 0.00 N ATOM 0 H ASN A 59 -13.455 -6.221 1.423 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.353 -5.718 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.116 -4.783 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.245 -6.404 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.735 -6.106 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.229 -5.746 3.322 1.00 0.00 H new ATOM 921 N ASP A 60 -11.407 -8.093 -1.304 1.00 0.00 N ATOM 922 CA ASP A 60 -11.171 -9.472 -1.736 1.00 0.00 C ATOM 923 C ASP A 60 -9.785 -9.982 -1.314 1.00 0.00 C ATOM 924 O ASP A 60 -9.462 -11.143 -1.564 1.00 0.00 O ATOM 925 CB ASP A 60 -11.395 -9.626 -3.257 1.00 0.00 C ATOM 926 CG ASP A 60 -10.254 -9.116 -4.148 1.00 0.00 C ATOM 927 OD1 ASP A 60 -9.491 -8.234 -3.697 1.00 0.00 O ATOM 928 OD2 ASP A 60 -10.174 -9.556 -5.318 1.00 0.00 O ATOM 0 H ASP A 60 -11.380 -7.419 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.903 -10.099 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.561 -10.681 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.308 -9.096 -3.528 1.00 0.00 H new ATOM 933 N GLY A 61 -8.973 -9.144 -0.656 1.00 0.00 N ATOM 934 CA GLY A 61 -7.643 -9.459 -0.188 1.00 0.00 C ATOM 935 C GLY A 61 -6.616 -9.506 -1.315 1.00 0.00 C ATOM 936 O GLY A 61 -5.453 -9.832 -1.070 1.00 0.00 O ATOM 0 H GLY A 61 -9.250 -8.188 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.336 -8.715 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.661 -10.422 0.322 1.00 0.00 H new ATOM 940 N SER A 62 -7.007 -9.179 -2.548 1.00 0.00 N ATOM 941 CA SER A 62 -6.065 -8.977 -3.623 1.00 0.00 C ATOM 942 C SER A 62 -5.313 -7.672 -3.325 1.00 0.00 C ATOM 943 O SER A 62 -5.910 -6.716 -2.820 1.00 0.00 O ATOM 944 CB SER A 62 -6.857 -8.917 -4.933 1.00 0.00 C ATOM 945 OG SER A 62 -6.044 -9.031 -6.085 1.00 0.00 O ATOM 0 H SER A 62 -7.982 -9.050 -2.817 1.00 0.00 H new ATOM 0 HA SER A 62 -5.335 -9.781 -3.713 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.597 -9.717 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.405 -7.976 -4.975 1.00 0.00 H new ATOM 0 HG SER A 62 -6.605 -8.988 -6.887 1.00 0.00 H new ATOM 951 N PRO A 63 -4.037 -7.544 -3.727 1.00 0.00 N ATOM 952 CA PRO A 63 -3.290 -6.295 -3.587 1.00 0.00 C ATOM 953 C PRO A 63 -3.993 -5.125 -4.287 1.00 0.00 C ATOM 954 O PRO A 63 -3.913 -3.969 -3.881 1.00 0.00 O ATOM 955 CB PRO A 63 -1.902 -6.594 -4.165 1.00 0.00 C ATOM 956 CG PRO A 63 -2.076 -7.853 -5.011 1.00 0.00 C ATOM 957 CD PRO A 63 -3.218 -8.582 -4.323 1.00 0.00 C ATOM 0 HA PRO A 63 -3.219 -5.974 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.541 -5.762 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.172 -6.752 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.318 -7.612 -6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.167 -8.455 -5.028 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.792 -9.174 -5.036 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.844 -9.271 -3.565 1.00 0.00 H new ATOM 965 N GLU A 64 -4.764 -5.446 -5.312 1.00 0.00 N ATOM 966 CA GLU A 64 -5.673 -4.593 -6.028 1.00 0.00 C ATOM 967 C GLU A 64 -6.711 -3.957 -5.132 1.00 0.00 C ATOM 968 O GLU A 64 -6.960 -2.763 -5.283 1.00 0.00 O ATOM 969 CB GLU A 64 -6.338 -5.495 -7.072 1.00 0.00 C ATOM 970 CG GLU A 64 -5.561 -5.468 -8.383 1.00 0.00 C ATOM 971 CD GLU A 64 -5.903 -4.239 -9.238 1.00 0.00 C ATOM 972 OE1 GLU A 64 -7.069 -3.772 -9.191 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.971 -3.729 -9.898 1.00 0.00 O ATOM 0 H GLU A 64 -4.763 -6.393 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.137 -3.757 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.391 -6.517 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.363 -5.166 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.492 -5.473 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.777 -6.374 -8.950 1.00 0.00 H new ATOM 980 N ALA A 65 -7.368 -4.725 -4.270 1.00 0.00 N ATOM 981 CA ALA A 65 -8.331 -4.174 -3.335 1.00 0.00 C ATOM 982 C ALA A 65 -7.632 -3.311 -2.290 1.00 0.00 C ATOM 983 O ALA A 65 -8.224 -2.326 -1.867 1.00 0.00 O ATOM 984 CB ALA A 65 -9.156 -5.281 -2.693 1.00 0.00 C ATOM 0 H ALA A 65 -7.247 -5.736 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.020 -3.532 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.871 -4.844 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.693 -5.830 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.496 -5.962 -2.156 1.00 0.00 H new ATOM 990 N VAL A 66 -6.358 -3.557 -1.963 1.00 0.00 N ATOM 991 CA VAL A 66 -5.658 -2.625 -1.075 1.00 0.00 C ATOM 992 C VAL A 66 -5.509 -1.270 -1.770 1.00 0.00 C ATOM 993 O VAL A 66 -5.727 -0.247 -1.132 1.00 0.00 O ATOM 994 CB VAL A 66 -4.292 -3.164 -0.625 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.622 -2.203 0.354 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.377 -4.569 -0.005 1.00 0.00 C ATOM 0 H VAL A 66 -5.811 -4.356 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.257 -2.506 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.685 -3.244 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.656 -2.607 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.475 -1.236 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.255 -2.078 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.381 -4.896 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.027 -4.542 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.783 -5.266 -0.738 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.161 -1.207 -3.063 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.980 0.096 -3.726 1.00 0.00 C ATOM 1008 C ILE A 67 -6.272 0.874 -3.670 1.00 0.00 C ATOM 1009 O ILE A 67 -6.288 2.074 -3.391 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.472 -0.067 -5.187 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.950 0.107 -5.175 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -5.008 0.935 -6.225 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.372 -0.991 -4.305 1.00 0.00 C ATOM 0 H ILE A 67 -5.002 -2.019 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.211 0.655 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.832 -1.049 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.549 0.045 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.679 1.088 -4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.577 0.713 -7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.094 0.856 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.733 1.947 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.286 -0.897 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.773 -0.904 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.640 -1.963 -4.719 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.342 0.149 -3.955 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.704 0.636 -3.827 1.00 0.00 C ATOM 1027 C LYS A 68 -8.929 1.199 -2.451 1.00 0.00 C ATOM 1028 O LYS A 68 -9.288 2.359 -2.384 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.716 -0.455 -4.166 1.00 0.00 C ATOM 1030 CG LYS A 68 -9.552 -0.791 -5.645 1.00 0.00 C ATOM 1031 CD LYS A 68 -10.598 -1.781 -6.174 1.00 0.00 C ATOM 1032 CE LYS A 68 -10.128 -2.369 -7.512 1.00 0.00 C ATOM 1033 NZ LYS A 68 -8.941 -3.234 -7.341 1.00 0.00 N ATOM 0 H LYS A 68 -7.286 -0.813 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.853 1.441 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.547 -1.339 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.731 -0.114 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.610 0.130 -6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.557 -1.207 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.754 -2.581 -5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.556 -1.277 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.937 -2.945 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.892 -1.559 -8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.501 -3.407 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.256 -2.764 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.230 -4.140 -6.921 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.656 0.472 -1.387 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.864 0.915 -0.042 1.00 0.00 C ATOM 1049 C GLU A 69 -7.937 2.048 0.363 1.00 0.00 C ATOM 1050 O GLU A 69 -8.279 2.814 1.252 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.612 -0.317 0.815 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.885 -0.877 1.468 1.00 0.00 C ATOM 1053 CD GLU A 69 -11.033 -1.204 0.488 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.586 -0.273 -0.141 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -11.444 -2.380 0.388 1.00 0.00 O ATOM 0 H GLU A 69 -8.272 -0.471 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.868 1.322 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.158 -1.093 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.892 -0.067 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.626 -1.783 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.247 -0.155 2.200 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.780 2.220 -0.266 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.852 3.244 0.085 1.00 0.00 C ATOM 1064 C ILE A 70 -6.440 4.495 -0.523 1.00 0.00 C ATOM 1065 O ILE A 70 -6.739 5.445 0.198 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.462 2.943 -0.418 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.802 1.813 0.388 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.654 4.230 -0.292 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.453 1.105 1.584 1.00 0.00 C ATOM 0 H ILE A 70 -6.473 1.634 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.722 3.342 1.163 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.504 2.604 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.560 1.030 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.856 2.214 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.638 4.058 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.120 5.012 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.626 4.542 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.773 0.346 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.667 1.834 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.382 0.631 1.265 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.606 4.480 -1.857 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.285 5.539 -2.576 1.00 0.00 C ATOM 1083 C LYS A 71 -8.531 5.890 -1.824 1.00 0.00 C ATOM 1084 O LYS A 71 -8.677 7.063 -1.500 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.658 5.102 -3.992 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.430 4.985 -4.889 1.00 0.00 C ATOM 1087 CD LYS A 71 -6.726 4.114 -6.107 1.00 0.00 C ATOM 1088 CE LYS A 71 -7.876 4.658 -6.967 1.00 0.00 C ATOM 1089 NZ LYS A 71 -7.796 4.172 -8.360 1.00 0.00 N ATOM 0 H LYS A 71 -6.268 3.726 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.618 6.398 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.173 4.142 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.356 5.820 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.116 5.977 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.601 4.558 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.827 4.036 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.973 3.106 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.829 4.358 -6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.851 5.748 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.752 4.121 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.216 4.826 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.363 3.226 -8.373 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.397 4.929 -1.526 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.720 5.249 -1.170 1.00 0.00 C ATOM 1105 C GLU A 72 -10.889 5.468 0.337 1.00 0.00 C ATOM 1106 O GLU A 72 -11.838 6.127 0.737 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.573 4.237 -1.890 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.935 4.776 -2.224 1.00 0.00 C ATOM 1109 CD GLU A 72 -13.019 6.063 -3.094 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.133 6.290 -3.947 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.922 6.918 -2.869 1.00 0.00 O ATOM 0 H GLU A 72 -9.181 3.932 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.063 6.230 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.071 3.929 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.679 3.347 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.488 3.990 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.455 4.972 -1.287 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.917 5.091 1.173 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.738 5.618 2.518 1.00 0.00 C ATOM 1120 C TRP A 73 -9.325 7.061 2.454 1.00 0.00 C ATOM 1121 O TRP A 73 -9.998 7.891 3.070 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.743 4.807 3.319 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.579 5.343 4.693 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.343 5.015 5.751 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.655 6.362 5.145 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.945 5.752 6.847 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.944 6.643 6.510 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.613 7.081 4.526 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -7.251 7.627 7.225 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.878 8.026 5.254 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -6.210 8.322 6.579 1.00 0.00 C ATOM 0 H TRP A 73 -9.218 4.392 0.921 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.695 5.544 3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.075 3.770 3.370 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.779 4.808 2.810 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.142 4.289 5.743 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.338 5.652 7.783 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.380 6.903 3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.509 7.849 8.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.046 8.531 4.786 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.665 9.088 7.111 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.277 7.406 1.695 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.942 8.806 1.508 1.00 0.00 C ATOM 1144 C ARG A 74 -9.173 9.516 0.952 1.00 0.00 C ATOM 1145 O ARG A 74 -9.439 10.655 1.308 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.736 8.924 0.571 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.491 8.136 1.004 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.701 8.813 2.109 1.00 0.00 C ATOM 1149 NE ARG A 74 -4.053 10.061 1.678 1.00 0.00 N ATOM 1150 CZ ARG A 74 -3.607 10.993 2.527 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -4.138 11.098 3.742 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -2.621 11.799 2.163 1.00 0.00 N ATOM 0 H ARG A 74 -7.665 6.746 1.215 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.664 9.276 2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.033 8.586 -0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.467 9.977 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.797 7.145 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.842 7.993 0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.368 9.027 2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.940 8.125 2.477 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.938 10.224 0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.887 10.467 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.796 11.810 4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.204 11.708 1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.279 12.511 2.809 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.961 8.845 0.113 1.00 0.00 N ATOM 1167 CA ALA A 75 -11.147 9.367 -0.510 1.00 0.00 C ATOM 1168 C ALA A 75 -12.392 9.460 0.360 1.00 0.00 C ATOM 1169 O ALA A 75 -13.237 10.310 0.075 1.00 0.00 O ATOM 1170 CB ALA A 75 -11.448 8.599 -1.774 1.00 0.00 C ATOM 0 H ALA A 75 -9.769 7.879 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.900 10.407 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.348 9.002 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.610 8.692 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.604 7.548 -1.533 1.00 0.00 H new ATOM 1176 N ALA A 76 -12.539 8.628 1.379 1.00 0.00 N ATOM 1177 CA ALA A 76 -13.537 8.819 2.409 1.00 0.00 C ATOM 1178 C ALA A 76 -13.089 9.967 3.297 1.00 0.00 C ATOM 1179 O ALA A 76 -13.920 10.747 3.754 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.710 7.528 3.217 1.00 0.00 C ATOM 0 H ALA A 76 -11.963 7.797 1.512 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.503 9.061 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.463 7.681 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.029 6.724 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.761 7.260 3.682 1.00 0.00 H new ATOM 1186 N ASN A 77 -11.775 10.093 3.503 1.00 0.00 N ATOM 1187 CA ASN A 77 -11.236 11.098 4.395 1.00 0.00 C ATOM 1188 C ASN A 77 -11.198 12.491 3.763 1.00 0.00 C ATOM 1189 O ASN A 77 -11.182 13.488 4.480 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.842 10.641 4.808 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.922 9.770 6.048 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -9.775 10.235 7.169 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -10.226 8.500 5.864 1.00 0.00 N ATOM 0 H ASN A 77 -11.071 9.505 3.058 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.886 11.194 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.377 10.085 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.210 11.508 5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.344 7.882 6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.344 8.136 4.919 1.00 0.00 H new ATOM 1200 N GLY A 78 -11.190 12.572 2.431 1.00 0.00 N ATOM 1201 CA GLY A 78 -10.965 13.810 1.695 1.00 0.00 C ATOM 1202 C GLY A 78 -9.996 13.589 0.539 1.00 0.00 C ATOM 1203 O GLY A 78 -8.890 14.129 0.545 1.00 0.00 O ATOM 0 H GLY A 78 -11.342 11.764 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.913 14.187 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.567 14.570 2.367 1.00 0.00 H new ATOM 1207 N LYS A 79 -10.419 12.785 -0.447 1.00 0.00 N ATOM 1208 CA LYS A 79 -9.677 12.311 -1.594 1.00 0.00 C ATOM 1209 C LYS A 79 -8.430 13.098 -1.984 1.00 0.00 C ATOM 1210 O LYS A 79 -8.489 14.158 -2.597 1.00 0.00 O ATOM 1211 CB LYS A 79 -10.599 11.972 -2.769 1.00 0.00 C ATOM 1212 CG LYS A 79 -12.144 12.041 -2.643 1.00 0.00 C ATOM 1213 CD LYS A 79 -12.893 11.308 -3.786 1.00 0.00 C ATOM 1214 CE LYS A 79 -14.312 10.784 -3.435 1.00 0.00 C ATOM 1215 NZ LYS A 79 -14.371 9.586 -2.546 1.00 0.00 N ATOM 0 H LYS A 79 -11.374 12.426 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.231 11.378 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.320 12.633 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.353 10.957 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.442 11.608 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.453 13.086 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.976 11.987 -4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.285 10.464 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.867 11.592 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.829 10.547 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.362 9.377 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.951 8.770 -3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.841 9.776 -1.672 1.00 0.00 H new ATOM 1229 N SER A 80 -7.317 12.471 -1.634 1.00 0.00 N ATOM 1230 CA SER A 80 -5.937 12.898 -1.764 1.00 0.00 C ATOM 1231 C SER A 80 -5.127 11.616 -1.987 1.00 0.00 C ATOM 1232 O SER A 80 -4.683 10.969 -1.037 1.00 0.00 O ATOM 1233 CB SER A 80 -5.509 13.651 -0.497 1.00 0.00 C ATOM 1234 OG SER A 80 -6.293 14.815 -0.301 1.00 0.00 O ATOM 0 H SER A 80 -7.368 11.547 -1.204 1.00 0.00 H new ATOM 0 HA SER A 80 -5.782 13.588 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.605 12.995 0.368 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.457 13.927 -0.573 1.00 0.00 H new ATOM 0 HG SER A 80 -7.192 14.558 -0.009 1.00 0.00 H new ATOM 1240 N GLY A 81 -5.071 11.179 -3.245 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.451 9.932 -3.666 1.00 0.00 C ATOM 1242 C GLY A 81 -2.966 10.129 -3.934 1.00 0.00 C ATOM 1243 O GLY A 81 -2.349 11.066 -3.424 1.00 0.00 O ATOM 0 H GLY A 81 -5.471 11.705 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.588 9.174 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.942 9.563 -4.567 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.407 9.203 -4.710 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.067 9.262 -5.244 1.00 0.00 C ATOM 1249 C PHE A 82 -0.913 10.404 -6.241 1.00 0.00 C ATOM 1250 O PHE A 82 -1.635 11.403 -6.254 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.650 7.879 -5.814 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.248 6.671 -5.103 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -0.700 6.218 -3.890 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.341 5.986 -5.664 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -1.235 5.092 -3.240 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.870 4.854 -5.015 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.326 4.410 -3.801 1.00 0.00 C ATOM 0 H PHE A 82 -2.905 8.358 -4.990 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.373 9.488 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.934 7.838 -6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.437 7.801 -5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.139 6.740 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.774 6.328 -6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.806 4.752 -2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.701 4.323 -5.456 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.744 3.549 -3.301 1.00 0.00 H new ATOM 1267 N LYS A 83 0.088 10.218 -7.084 1.00 0.00 N ATOM 1268 CA LYS A 83 0.247 10.849 -8.363 1.00 0.00 C ATOM 1269 C LYS A 83 -1.093 10.939 -9.122 1.00 0.00 C ATOM 1270 O LYS A 83 -2.051 10.222 -8.835 1.00 0.00 O ATOM 1271 CB LYS A 83 1.230 9.984 -9.139 1.00 0.00 C ATOM 1272 CG LYS A 83 2.123 10.864 -10.057 1.00 0.00 C ATOM 1273 CD LYS A 83 3.517 11.184 -9.467 1.00 0.00 C ATOM 1274 CE LYS A 83 4.350 9.901 -9.509 1.00 0.00 C ATOM 1275 NZ LYS A 83 5.785 9.998 -9.185 1.00 0.00 N ATOM 0 H LYS A 83 0.855 9.580 -6.871 1.00 0.00 H new ATOM 0 HA LYS A 83 0.606 11.871 -8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.855 9.421 -8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.686 9.256 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.253 10.357 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.604 11.800 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.002 11.973 -10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.424 11.546 -8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.899 9.187 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.261 9.477 -10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.091 9.130 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.332 10.116 -10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.946 10.817 -8.564 1.00 0.00 H new ATOM 1289 N GLN A 84 -1.148 11.775 -10.158 1.00 0.00 N ATOM 1290 CA GLN A 84 -2.213 11.910 -11.117 1.00 0.00 C ATOM 1291 C GLN A 84 -2.263 10.705 -12.075 1.00 0.00 C ATOM 1292 O GLN A 84 -2.198 10.874 -13.297 1.00 0.00 O ATOM 1293 CB GLN A 84 -1.900 13.235 -11.834 1.00 0.00 C ATOM 1294 CG GLN A 84 -3.126 13.770 -12.557 1.00 0.00 C ATOM 1295 CD GLN A 84 -2.842 14.173 -14.004 1.00 0.00 C ATOM 1296 OE1 GLN A 84 -2.952 15.334 -14.377 1.00 0.00 O ATOM 1297 NE2 GLN A 84 -2.473 13.223 -14.848 1.00 0.00 N ATOM 0 H GLN A 84 -0.383 12.421 -10.352 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.202 11.926 -10.659 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.552 13.971 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.091 13.083 -12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.908 13.010 -12.545 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.512 14.633 -12.015 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.385 12.260 -14.525 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.276 13.454 -15.822 1.00 0.00 H new ATOM 1306 N GLY A 85 -2.407 9.514 -11.510 1.00 0.00 N ATOM 1307 CA GLY A 85 -2.052 8.253 -12.129 1.00 0.00 C ATOM 1308 C GLY A 85 -0.715 7.916 -11.514 1.00 0.00 C ATOM 1309 O GLY A 85 0.299 8.414 -12.043 1.00 0.00 O ATOM 0 H GLY A 85 -2.790 9.400 -10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.794 7.482 -11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.982 8.345 -13.213 1.00 0.00 H new TER 1313 GLY A 85