USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 788 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 Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -170:sc= -0.0336 USER MOD Single : A 26 SER OG : rot -31:sc= 0.185 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.86 F(o=-1.4,f=-0.86) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0744) USER MOD Single : A 35 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.4) USER MOD Single : A 38 MET CE :methyl 156:sc= -0.349 (180deg=-1.44!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 37:sc= 0.591 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -135:sc= 0.39 (180deg=-0.136) USER MOD Single : A 55 ASN : amide:sc= -0.057 K(o=-0.057,f=-1.4!) USER MOD Single : A 64 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.84 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= 0.158 (180deg=-0.283) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.332 USER MOD Single : A 88 GLN : amide:sc= -3.17 K(o=-3.2,f=-5.1!) USER MOD Single : A 90 ASN : amide:sc= 0.134 X(o=0.13,f=-0.024) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 1.657 -0.186 0.200 1.00 42.45 N ATOM 2 CA TYR A 1 2.446 -0.101 -1.024 1.00 4.45 C ATOM 3 C TYR A 1 3.575 -1.127 -1.016 1.00 4.22 C ATOM 4 O TYR A 1 4.219 -1.349 0.009 1.00 3.30 O ATOM 5 CB TYR A 1 3.023 1.307 -1.187 1.00 33.21 C ATOM 6 CG TYR A 1 3.279 1.693 -2.626 1.00 53.02 C ATOM 7 CD1 TYR A 1 4.416 1.253 -3.292 1.00 4.31 C ATOM 8 CD2 TYR A 1 2.384 2.498 -3.320 1.00 10.10 C ATOM 9 CE1 TYR A 1 4.655 1.604 -4.607 1.00 0.13 C ATOM 10 CE2 TYR A 1 2.614 2.853 -4.635 1.00 73.42 C ATOM 11 CZ TYR A 1 3.751 2.403 -5.274 1.00 54.41 C ATOM 12 OH TYR A 1 3.984 2.756 -6.584 1.00 33.52 O ATOM 0 H1 TYR A 1 0.895 0.521 0.172 1.00 42.45 H new ATOM 0 H2 TYR A 1 1.244 -1.137 0.281 1.00 42.45 H new ATOM 0 H3 TYR A 1 2.269 -0.003 1.021 1.00 42.45 H new ATOM 0 HA TYR A 1 1.788 -0.317 -1.866 1.00 4.45 H new ATOM 0 HB2 TYR A 1 2.335 2.026 -0.744 1.00 33.21 H new ATOM 0 HB3 TYR A 1 3.957 1.375 -0.630 1.00 33.21 H new ATOM 0 HD1 TYR A 1 5.126 0.626 -2.773 1.00 4.31 H new ATOM 0 HD2 TYR A 1 1.493 2.852 -2.823 1.00 10.10 H new ATOM 0 HE1 TYR A 1 5.545 1.254 -5.109 1.00 0.13 H new ATOM 0 HE2 TYR A 1 1.908 3.479 -5.160 1.00 73.42 H new ATOM 0 HH TYR A 1 3.250 3.320 -6.906 1.00 33.52 H new ATOM 22 N GLU A 2 3.809 -1.749 -2.167 1.00 51.23 N ATOM 23 CA GLU A 2 4.860 -2.752 -2.294 1.00 11.35 C ATOM 24 C GLU A 2 5.575 -2.624 -3.635 1.00 64.03 C ATOM 25 O GLU A 2 5.398 -3.454 -4.527 1.00 13.52 O ATOM 26 CB GLU A 2 4.274 -4.158 -2.147 1.00 41.42 C ATOM 27 CG GLU A 2 3.667 -4.425 -0.780 1.00 42.11 C ATOM 28 CD GLU A 2 3.922 -5.839 -0.295 1.00 50.11 C ATOM 29 OE1 GLU A 2 4.957 -6.422 -0.681 1.00 14.31 O ATOM 30 OE2 GLU A 2 3.086 -6.362 0.471 1.00 32.20 O ATOM 0 H GLU A 2 3.285 -1.576 -3.025 1.00 51.23 H new ATOM 0 HA GLU A 2 5.586 -2.584 -1.498 1.00 11.35 H new ATOM 0 HB2 GLU A 2 3.509 -4.305 -2.910 1.00 41.42 H new ATOM 0 HB3 GLU A 2 5.058 -4.891 -2.336 1.00 41.42 H new ATOM 0 HG2 GLU A 2 4.078 -3.718 -0.060 1.00 42.11 H new ATOM 0 HG3 GLU A 2 2.592 -4.248 -0.823 1.00 42.11 H new ATOM 37 N ALA A 3 6.384 -1.578 -3.771 1.00 24.44 N ATOM 38 CA ALA A 3 7.128 -1.342 -5.002 1.00 31.11 C ATOM 39 C ALA A 3 6.201 -0.885 -6.124 1.00 24.24 C ATOM 40 O ALA A 3 5.053 -1.316 -6.227 1.00 13.13 O ATOM 41 CB ALA A 3 7.879 -2.599 -5.414 1.00 61.33 C ATOM 0 H ALA A 3 6.541 -0.881 -3.043 1.00 24.44 H new ATOM 0 HA ALA A 3 7.849 -0.546 -4.815 1.00 31.11 H new ATOM 0 HB1 ALA A 3 8.430 -2.408 -6.335 1.00 61.33 H new ATOM 0 HB2 ALA A 3 8.577 -2.881 -4.625 1.00 61.33 H new ATOM 0 HB3 ALA A 3 7.169 -3.410 -5.577 1.00 61.33 H new ATOM 47 N PRO A 4 6.710 0.009 -6.985 1.00 33.32 N ATOM 48 CA PRO A 4 5.944 0.544 -8.114 1.00 72.45 C ATOM 49 C PRO A 4 5.697 -0.504 -9.195 1.00 52.51 C ATOM 50 O PRO A 4 6.295 -1.580 -9.199 1.00 1.41 O ATOM 51 CB PRO A 4 6.838 1.664 -8.650 1.00 40.44 C ATOM 52 CG PRO A 4 8.217 1.279 -8.238 1.00 73.22 C ATOM 53 CD PRO A 4 8.071 0.566 -6.922 1.00 64.34 C ATOM 0 HA PRO A 4 4.952 0.880 -7.811 1.00 72.45 H new ATOM 0 HB2 PRO A 4 6.758 1.750 -9.734 1.00 40.44 H new ATOM 0 HB3 PRO A 4 6.555 2.630 -8.232 1.00 40.44 H new ATOM 0 HG2 PRO A 4 8.681 0.632 -8.983 1.00 73.22 H new ATOM 0 HG3 PRO A 4 8.854 2.158 -8.137 1.00 73.22 H new ATOM 0 HD2 PRO A 4 8.820 -0.217 -6.804 1.00 64.34 H new ATOM 0 HD3 PRO A 4 8.187 1.249 -6.080 1.00 64.34 H new ATOM 61 N PRO A 5 4.795 -0.184 -10.135 1.00 41.31 N ATOM 62 CA PRO A 5 4.449 -1.084 -11.239 1.00 44.23 C ATOM 63 C PRO A 5 5.588 -1.234 -12.243 1.00 14.11 C ATOM 64 O PRO A 5 6.227 -0.253 -12.622 1.00 20.04 O ATOM 65 CB PRO A 5 3.247 -0.398 -11.893 1.00 21.01 C ATOM 66 CG PRO A 5 3.402 1.044 -11.552 1.00 61.11 C ATOM 67 CD PRO A 5 4.044 1.082 -10.193 1.00 31.52 C ATOM 0 HA PRO A 5 4.242 -2.096 -10.890 1.00 44.23 H new ATOM 0 HB2 PRO A 5 3.243 -0.551 -12.972 1.00 21.01 H new ATOM 0 HB3 PRO A 5 2.307 -0.796 -11.511 1.00 21.01 H new ATOM 0 HG2 PRO A 5 4.020 1.555 -12.290 1.00 61.11 H new ATOM 0 HG3 PRO A 5 2.436 1.548 -11.541 1.00 61.11 H new ATOM 0 HD2 PRO A 5 4.701 1.945 -10.083 1.00 31.52 H new ATOM 0 HD3 PRO A 5 3.300 1.145 -9.399 1.00 31.52 H new ATOM 75 N ALA A 6 5.835 -2.468 -12.670 1.00 53.22 N ATOM 76 CA ALA A 6 6.894 -2.745 -13.632 1.00 63.20 C ATOM 77 C ALA A 6 6.374 -2.656 -15.063 1.00 21.53 C ATOM 78 O ALA A 6 5.284 -3.141 -15.370 1.00 24.20 O ATOM 79 CB ALA A 6 7.497 -4.118 -13.372 1.00 2.33 C ATOM 0 H ALA A 6 5.316 -3.291 -12.365 1.00 53.22 H new ATOM 0 HA ALA A 6 7.670 -1.990 -13.508 1.00 63.20 H new ATOM 0 HB1 ALA A 6 8.287 -4.312 -14.098 1.00 2.33 H new ATOM 0 HB2 ALA A 6 7.914 -4.148 -12.365 1.00 2.33 H new ATOM 0 HB3 ALA A 6 6.723 -4.879 -13.466 1.00 2.33 H new ATOM 85 N THR A 7 7.160 -2.033 -15.936 1.00 33.33 N ATOM 86 CA THR A 7 6.778 -1.879 -17.334 1.00 35.34 C ATOM 87 C THR A 7 7.391 -2.977 -18.196 1.00 3.35 C ATOM 88 O THR A 7 8.371 -2.748 -18.906 1.00 4.54 O ATOM 89 CB THR A 7 7.208 -0.507 -17.886 1.00 21.41 C ATOM 90 OG1 THR A 7 6.743 0.536 -17.023 1.00 1.14 O ATOM 91 CG2 THR A 7 6.661 -0.293 -19.289 1.00 42.01 C ATOM 0 H THR A 7 8.065 -1.627 -15.699 1.00 33.33 H new ATOM 0 HA THR A 7 5.691 -1.954 -17.375 1.00 35.34 H new ATOM 0 HB THR A 7 8.297 -0.483 -17.930 1.00 21.41 H new ATOM 0 HG1 THR A 7 7.022 1.405 -17.380 1.00 1.14 H new ATOM 0 HG21 THR A 7 6.978 0.683 -19.658 1.00 42.01 H new ATOM 0 HG22 THR A 7 7.041 -1.072 -19.950 1.00 42.01 H new ATOM 0 HG23 THR A 7 5.572 -0.336 -19.265 1.00 42.01 H new ATOM 99 N LEU A 8 6.809 -4.169 -18.130 1.00 3.02 N ATOM 100 CA LEU A 8 7.299 -5.303 -18.906 1.00 30.23 C ATOM 101 C LEU A 8 6.899 -5.173 -20.372 1.00 22.21 C ATOM 102 O LEU A 8 5.730 -5.330 -20.722 1.00 61.21 O ATOM 103 CB LEU A 8 6.755 -6.612 -18.331 1.00 60.30 C ATOM 104 CG LEU A 8 6.777 -6.737 -16.807 1.00 52.22 C ATOM 105 CD1 LEU A 8 5.420 -6.377 -16.223 1.00 13.02 C ATOM 106 CD2 LEU A 8 7.182 -8.144 -16.393 1.00 10.23 C ATOM 0 H LEU A 8 5.998 -4.376 -17.547 1.00 3.02 H new ATOM 0 HA LEU A 8 8.387 -5.311 -18.845 1.00 30.23 H new ATOM 0 HB2 LEU A 8 5.727 -6.735 -18.671 1.00 60.30 H new ATOM 0 HB3 LEU A 8 7.330 -7.437 -18.751 1.00 60.30 H new ATOM 0 HG LEU A 8 7.516 -6.038 -16.415 1.00 52.22 H new ATOM 0 HD11 LEU A 8 5.454 -6.472 -15.138 1.00 13.02 H new ATOM 0 HD12 LEU A 8 5.170 -5.350 -16.490 1.00 13.02 H new ATOM 0 HD13 LEU A 8 4.662 -7.051 -16.622 1.00 13.02 H new ATOM 0 HD21 LEU A 8 7.192 -8.214 -15.305 1.00 10.23 H new ATOM 0 HD22 LEU A 8 6.468 -8.862 -16.796 1.00 10.23 H new ATOM 0 HD23 LEU A 8 8.177 -8.365 -16.780 1.00 10.23 H new ATOM 118 N GLU A 9 7.879 -4.888 -21.224 1.00 53.41 N ATOM 119 CA GLU A 9 7.628 -4.738 -22.653 1.00 21.32 C ATOM 120 C GLU A 9 7.530 -6.101 -23.333 1.00 43.43 C ATOM 121 O GLU A 9 7.522 -7.138 -22.671 1.00 43.21 O ATOM 122 CB GLU A 9 8.737 -3.909 -23.304 1.00 21.12 C ATOM 123 CG GLU A 9 8.653 -2.425 -22.987 1.00 62.34 C ATOM 124 CD GLU A 9 7.802 -1.663 -23.985 1.00 24.32 C ATOM 125 OE1 GLU A 9 6.901 -2.282 -24.589 1.00 11.50 O ATOM 126 OE2 GLU A 9 8.038 -0.450 -24.161 1.00 53.13 O ATOM 0 H GLU A 9 8.853 -4.757 -20.950 1.00 53.41 H new ATOM 0 HA GLU A 9 6.677 -4.220 -22.777 1.00 21.32 H new ATOM 0 HB2 GLU A 9 9.704 -4.288 -22.974 1.00 21.12 H new ATOM 0 HB3 GLU A 9 8.694 -4.044 -24.385 1.00 21.12 H new ATOM 0 HG2 GLU A 9 8.239 -2.294 -21.987 1.00 62.34 H new ATOM 0 HG3 GLU A 9 9.658 -2.002 -22.974 1.00 62.34 H new ATOM 133 N ALA A 10 7.456 -6.089 -24.660 1.00 54.41 N ATOM 134 CA ALA A 10 7.360 -7.322 -25.431 1.00 72.00 C ATOM 135 C ALA A 10 8.394 -7.351 -26.551 1.00 41.02 C ATOM 136 O ALA A 10 8.080 -7.063 -27.706 1.00 53.53 O ATOM 137 CB ALA A 10 5.958 -7.481 -26.000 1.00 72.03 C ATOM 0 H ALA A 10 7.461 -5.239 -25.223 1.00 54.41 H new ATOM 0 HA ALA A 10 7.565 -8.157 -24.761 1.00 72.00 H new ATOM 0 HB1 ALA A 10 5.901 -8.406 -26.574 1.00 72.03 H new ATOM 0 HB2 ALA A 10 5.236 -7.515 -25.184 1.00 72.03 H new ATOM 0 HB3 ALA A 10 5.731 -6.636 -26.651 1.00 72.03 H new ATOM 143 N ILE A 11 9.628 -7.700 -26.202 1.00 53.12 N ATOM 144 CA ILE A 11 10.707 -7.766 -27.179 1.00 65.51 C ATOM 145 C ILE A 11 10.524 -8.951 -28.122 1.00 31.14 C ATOM 146 O ILE A 11 9.645 -9.790 -27.918 1.00 40.45 O ATOM 147 CB ILE A 11 12.082 -7.879 -26.493 1.00 35.13 C ATOM 148 CG1 ILE A 11 12.194 -6.859 -25.358 1.00 22.22 C ATOM 149 CG2 ILE A 11 13.198 -7.677 -27.506 1.00 61.42 C ATOM 150 CD1 ILE A 11 12.643 -5.490 -25.818 1.00 52.13 C ATOM 0 H ILE A 11 9.905 -7.941 -25.250 1.00 53.12 H new ATOM 0 HA ILE A 11 10.670 -6.839 -27.752 1.00 65.51 H new ATOM 0 HB ILE A 11 12.180 -8.879 -26.070 1.00 35.13 H new ATOM 0 HG12 ILE A 11 11.226 -6.768 -24.865 1.00 22.22 H new ATOM 0 HG13 ILE A 11 12.897 -7.232 -24.613 1.00 22.22 H new ATOM 0 HG21 ILE A 11 14.163 -7.760 -27.006 1.00 61.42 H new ATOM 0 HG22 ILE A 11 13.126 -8.438 -28.283 1.00 61.42 H new ATOM 0 HG23 ILE A 11 13.106 -6.688 -27.956 1.00 61.42 H new ATOM 0 HD11 ILE A 11 12.700 -4.819 -24.961 1.00 52.13 H new ATOM 0 HD12 ILE A 11 13.625 -5.567 -26.285 1.00 52.13 H new ATOM 0 HD13 ILE A 11 11.928 -5.096 -26.540 1.00 52.13 H new ATOM 162 N HIS A 12 11.360 -9.015 -29.153 1.00 23.23 N ATOM 163 CA HIS A 12 11.292 -10.099 -30.126 1.00 61.32 C ATOM 164 C HIS A 12 11.366 -11.457 -29.434 1.00 13.24 C ATOM 165 O HIS A 12 11.606 -11.555 -28.230 1.00 44.42 O ATOM 166 CB HIS A 12 12.426 -9.971 -31.144 1.00 53.02 C ATOM 167 CG HIS A 12 11.960 -9.584 -32.514 1.00 14.21 C ATOM 168 ND1 HIS A 12 12.524 -10.081 -33.669 1.00 61.25 N ATOM 169 CD2 HIS A 12 10.975 -8.743 -32.909 1.00 62.24 C ATOM 170 CE1 HIS A 12 11.908 -9.562 -34.717 1.00 4.15 C ATOM 171 NE2 HIS A 12 10.964 -8.747 -34.283 1.00 12.14 N ATOM 0 H HIS A 12 12.092 -8.329 -29.336 1.00 23.23 H new ATOM 0 HA HIS A 12 10.337 -10.027 -30.646 1.00 61.32 H new ATOM 0 HB2 HIS A 12 13.140 -9.228 -30.789 1.00 53.02 H new ATOM 0 HB3 HIS A 12 12.958 -10.921 -31.205 1.00 53.02 H new ATOM 0 HD2 HIS A 12 10.320 -8.175 -32.264 1.00 62.24 H new ATOM 0 HE1 HIS A 12 12.138 -9.769 -35.752 1.00 4.15 H new ATOM 0 HE2 HIS A 12 10.330 -8.208 -34.872 1.00 12.14 H new ATOM 179 N PRO A 13 11.153 -12.530 -30.210 1.00 10.04 N ATOM 180 CA PRO A 13 11.190 -13.901 -29.692 1.00 12.11 C ATOM 181 C PRO A 13 12.599 -14.337 -29.306 1.00 61.22 C ATOM 182 O PRO A 13 12.887 -15.531 -29.212 1.00 40.41 O ATOM 183 CB PRO A 13 10.674 -14.737 -30.865 1.00 75.25 C ATOM 184 CG PRO A 13 10.985 -13.925 -32.075 1.00 71.31 C ATOM 185 CD PRO A 13 10.861 -12.488 -31.652 1.00 54.32 C ATOM 0 HA PRO A 13 10.600 -14.009 -28.782 1.00 12.11 H new ATOM 0 HB2 PRO A 13 11.165 -15.710 -30.904 1.00 75.25 H new ATOM 0 HB3 PRO A 13 9.604 -14.923 -30.778 1.00 75.25 H new ATOM 0 HG2 PRO A 13 11.989 -14.139 -32.441 1.00 71.31 H new ATOM 0 HG3 PRO A 13 10.294 -14.154 -32.887 1.00 71.31 H new ATOM 0 HD2 PRO A 13 11.565 -11.850 -32.186 1.00 54.32 H new ATOM 0 HD3 PRO A 13 9.863 -12.096 -31.849 1.00 54.32 H new ATOM 193 N LYS A 14 13.475 -13.363 -29.083 1.00 72.13 N ATOM 194 CA LYS A 14 14.855 -13.646 -28.706 1.00 15.43 C ATOM 195 C LYS A 14 15.225 -12.922 -27.415 1.00 55.31 C ATOM 196 O LYS A 14 16.400 -12.687 -27.139 1.00 21.24 O ATOM 197 CB LYS A 14 15.808 -13.229 -29.828 1.00 53.30 C ATOM 198 CG LYS A 14 16.069 -11.733 -29.880 1.00 72.42 C ATOM 199 CD LYS A 14 16.575 -11.303 -31.247 1.00 21.03 C ATOM 200 CE LYS A 14 16.113 -9.896 -31.595 1.00 31.33 C ATOM 201 NZ LYS A 14 17.161 -9.133 -32.327 1.00 25.23 N ATOM 0 H LYS A 14 13.254 -12.370 -29.157 1.00 72.13 H new ATOM 0 HA LYS A 14 14.947 -14.719 -28.540 1.00 15.43 H new ATOM 0 HB2 LYS A 14 16.757 -13.751 -29.700 1.00 53.30 H new ATOM 0 HB3 LYS A 14 15.394 -13.550 -30.784 1.00 53.30 H new ATOM 0 HG2 LYS A 14 15.151 -11.194 -29.645 1.00 72.42 H new ATOM 0 HG3 LYS A 14 16.801 -11.464 -29.119 1.00 72.42 H new ATOM 0 HD2 LYS A 14 17.664 -11.344 -31.262 1.00 21.03 H new ATOM 0 HD3 LYS A 14 16.219 -12.002 -32.004 1.00 21.03 H new ATOM 0 HE2 LYS A 14 15.211 -9.950 -32.205 1.00 31.33 H new ATOM 0 HE3 LYS A 14 15.848 -9.364 -30.681 1.00 31.33 H new ATOM 0 HZ1 LYS A 14 16.807 -8.180 -32.546 1.00 25.23 H new ATOM 0 HZ2 LYS A 14 18.013 -9.059 -31.736 1.00 25.23 H new ATOM 0 HZ3 LYS A 14 17.396 -9.627 -33.212 1.00 25.23 H new ATOM 215 N GLY A 15 14.212 -12.571 -26.627 1.00 44.02 N ATOM 216 CA GLY A 15 14.453 -11.879 -25.375 1.00 13.34 C ATOM 217 C GLY A 15 13.276 -11.024 -24.950 1.00 15.53 C ATOM 218 O GLY A 15 12.239 -11.007 -25.615 1.00 13.54 O ATOM 0 H GLY A 15 13.230 -12.754 -26.834 1.00 44.02 H new ATOM 0 HA2 GLY A 15 14.668 -12.610 -24.595 1.00 13.34 H new ATOM 0 HA3 GLY A 15 15.338 -11.250 -25.475 1.00 13.34 H new ATOM 222 N LEU A 16 13.433 -10.313 -23.839 1.00 3.24 N ATOM 223 CA LEU A 16 12.374 -9.452 -23.324 1.00 51.10 C ATOM 224 C LEU A 16 12.958 -8.254 -22.583 1.00 12.44 C ATOM 225 O LEU A 16 14.123 -8.265 -22.184 1.00 73.13 O ATOM 226 CB LEU A 16 11.454 -10.243 -22.393 1.00 32.31 C ATOM 227 CG LEU A 16 10.165 -9.540 -21.966 1.00 2.24 C ATOM 228 CD1 LEU A 16 9.397 -9.048 -23.182 1.00 74.44 C ATOM 229 CD2 LEU A 16 9.302 -10.471 -21.127 1.00 73.24 C ATOM 0 H LEU A 16 14.284 -10.316 -23.277 1.00 3.24 H new ATOM 0 HA LEU A 16 11.795 -9.084 -24.171 1.00 51.10 H new ATOM 0 HB2 LEU A 16 11.188 -11.178 -22.886 1.00 32.31 H new ATOM 0 HB3 LEU A 16 12.016 -10.504 -21.496 1.00 32.31 H new ATOM 0 HG LEU A 16 10.430 -8.676 -21.356 1.00 2.24 H new ATOM 0 HD11 LEU A 16 8.483 -8.550 -22.858 1.00 74.44 H new ATOM 0 HD12 LEU A 16 10.014 -8.345 -23.742 1.00 74.44 H new ATOM 0 HD13 LEU A 16 9.143 -9.895 -23.819 1.00 74.44 H new ATOM 0 HD21 LEU A 16 8.389 -9.954 -20.832 1.00 73.24 H new ATOM 0 HD22 LEU A 16 9.046 -11.355 -21.711 1.00 73.24 H new ATOM 0 HD23 LEU A 16 9.852 -10.772 -20.236 1.00 73.24 H new ATOM 241 N ARG A 17 12.140 -7.222 -22.399 1.00 63.03 N ATOM 242 CA ARG A 17 12.575 -6.016 -21.705 1.00 25.44 C ATOM 243 C ARG A 17 11.639 -5.689 -20.545 1.00 62.10 C ATOM 244 O ARG A 17 10.419 -5.789 -20.671 1.00 73.43 O ATOM 245 CB ARG A 17 12.634 -4.836 -22.676 1.00 10.34 C ATOM 246 CG ARG A 17 13.172 -3.559 -22.050 1.00 53.13 C ATOM 247 CD ARG A 17 13.086 -2.387 -23.015 1.00 52.15 C ATOM 248 NE ARG A 17 14.330 -2.195 -23.756 1.00 20.32 N ATOM 249 CZ ARG A 17 14.589 -1.120 -24.491 1.00 44.21 C ATOM 250 NH1 ARG A 17 13.696 -0.144 -24.583 1.00 61.53 N ATOM 251 NH2 ARG A 17 15.745 -1.018 -25.136 1.00 32.24 N ATOM 0 H ARG A 17 11.172 -7.197 -22.721 1.00 63.03 H new ATOM 0 HA ARG A 17 13.572 -6.197 -21.304 1.00 25.44 H new ATOM 0 HB2 ARG A 17 13.261 -5.106 -23.526 1.00 10.34 H new ATOM 0 HB3 ARG A 17 11.634 -4.646 -23.066 1.00 10.34 H new ATOM 0 HG2 ARG A 17 12.608 -3.330 -21.146 1.00 53.13 H new ATOM 0 HG3 ARG A 17 14.209 -3.709 -21.749 1.00 53.13 H new ATOM 0 HD2 ARG A 17 12.269 -2.554 -23.716 1.00 52.15 H new ATOM 0 HD3 ARG A 17 12.850 -1.478 -22.461 1.00 52.15 H new ATOM 0 HE ARG A 17 15.039 -2.927 -23.706 1.00 20.32 H new ATOM 0 HH11 ARG A 17 12.807 -0.218 -24.088 1.00 61.53 H new ATOM 0 HH12 ARG A 17 13.898 0.681 -25.148 1.00 61.53 H new ATOM 0 HH21 ARG A 17 16.435 -1.766 -25.067 1.00 32.24 H new ATOM 0 HH22 ARG A 17 15.943 -0.192 -25.700 1.00 32.24 H new ATOM 265 N VAL A 18 12.220 -5.298 -19.415 1.00 14.11 N ATOM 266 CA VAL A 18 11.438 -4.955 -18.233 1.00 32.42 C ATOM 267 C VAL A 18 12.122 -3.862 -17.420 1.00 34.04 C ATOM 268 O VAL A 18 13.168 -4.088 -16.812 1.00 61.34 O ATOM 269 CB VAL A 18 11.213 -6.185 -17.333 1.00 3.03 C ATOM 270 CG1 VAL A 18 10.564 -5.775 -16.020 1.00 12.51 C ATOM 271 CG2 VAL A 18 10.368 -7.225 -18.053 1.00 2.30 C ATOM 0 H VAL A 18 13.229 -5.211 -19.293 1.00 14.11 H new ATOM 0 HA VAL A 18 10.473 -4.591 -18.586 1.00 32.42 H new ATOM 0 HB VAL A 18 12.182 -6.630 -17.108 1.00 3.03 H new ATOM 0 HG11 VAL A 18 10.413 -6.657 -15.398 1.00 12.51 H new ATOM 0 HG12 VAL A 18 11.211 -5.070 -15.499 1.00 12.51 H new ATOM 0 HG13 VAL A 18 9.602 -5.304 -16.221 1.00 12.51 H new ATOM 0 HG21 VAL A 18 10.219 -8.087 -17.402 1.00 2.30 H new ATOM 0 HG22 VAL A 18 9.401 -6.793 -18.310 1.00 2.30 H new ATOM 0 HG23 VAL A 18 10.878 -7.541 -18.963 1.00 2.30 H new ATOM 281 N SER A 19 11.522 -2.676 -17.412 1.00 5.50 N ATOM 282 CA SER A 19 12.075 -1.545 -16.676 1.00 3.23 C ATOM 283 C SER A 19 11.088 -1.045 -15.625 1.00 71.43 C ATOM 284 O SER A 19 9.877 -1.221 -15.761 1.00 61.43 O ATOM 285 CB SER A 19 12.433 -0.409 -17.637 1.00 21.25 C ATOM 286 OG SER A 19 12.641 0.805 -16.936 1.00 55.12 O ATOM 0 H SER A 19 10.653 -2.473 -17.907 1.00 5.50 H new ATOM 0 HA SER A 19 12.979 -1.881 -16.169 1.00 3.23 H new ATOM 0 HB2 SER A 19 13.333 -0.670 -18.194 1.00 21.25 H new ATOM 0 HB3 SER A 19 11.633 -0.279 -18.366 1.00 21.25 H new ATOM 0 HG SER A 19 12.712 1.544 -17.576 1.00 55.12 H new ATOM 292 N VAL A 20 11.615 -0.421 -14.577 1.00 34.04 N ATOM 293 CA VAL A 20 10.781 0.106 -13.502 1.00 61.45 C ATOM 294 C VAL A 20 11.315 1.441 -12.997 1.00 51.10 C ATOM 295 O VAL A 20 12.509 1.730 -13.075 1.00 2.12 O ATOM 296 CB VAL A 20 10.697 -0.881 -12.323 1.00 12.25 C ATOM 297 CG1 VAL A 20 10.078 -2.196 -12.769 1.00 74.32 C ATOM 298 CG2 VAL A 20 12.075 -1.108 -11.719 1.00 73.23 C ATOM 0 H VAL A 20 12.615 -0.268 -14.449 1.00 34.04 H new ATOM 0 HA VAL A 20 9.783 0.251 -13.916 1.00 61.45 H new ATOM 0 HB VAL A 20 10.056 -0.448 -11.555 1.00 12.25 H new ATOM 0 HG11 VAL A 20 10.027 -2.880 -11.922 1.00 74.32 H new ATOM 0 HG12 VAL A 20 9.073 -2.014 -13.149 1.00 74.32 H new ATOM 0 HG13 VAL A 20 10.689 -2.638 -13.556 1.00 74.32 H new ATOM 0 HG21 VAL A 20 11.997 -1.808 -10.887 1.00 73.23 H new ATOM 0 HG22 VAL A 20 12.742 -1.519 -12.477 1.00 73.23 H new ATOM 0 HG23 VAL A 20 12.475 -0.160 -11.359 1.00 73.23 H new ATOM 308 N PRO A 21 10.410 2.277 -12.465 1.00 65.24 N ATOM 309 CA PRO A 21 10.767 3.596 -11.935 1.00 42.12 C ATOM 310 C PRO A 21 11.582 3.503 -10.650 1.00 11.34 C ATOM 311 O PRO A 21 11.137 2.917 -9.663 1.00 23.43 O ATOM 312 CB PRO A 21 9.409 4.248 -11.662 1.00 22.52 C ATOM 313 CG PRO A 21 8.477 3.105 -11.450 1.00 53.15 C ATOM 314 CD PRO A 21 8.970 1.998 -12.340 1.00 60.13 C ATOM 0 HA PRO A 21 11.393 4.158 -12.628 1.00 42.12 H new ATOM 0 HB2 PRO A 21 9.449 4.894 -10.785 1.00 22.52 H new ATOM 0 HB3 PRO A 21 9.091 4.868 -12.501 1.00 22.52 H new ATOM 0 HG2 PRO A 21 8.473 2.793 -10.405 1.00 53.15 H new ATOM 0 HG3 PRO A 21 7.454 3.383 -11.704 1.00 53.15 H new ATOM 0 HD2 PRO A 21 8.787 1.017 -11.900 1.00 60.13 H new ATOM 0 HD3 PRO A 21 8.473 2.010 -13.310 1.00 60.13 H new ATOM 322 N ASP A 22 12.776 4.086 -10.668 1.00 34.11 N ATOM 323 CA ASP A 22 13.652 4.070 -9.502 1.00 40.25 C ATOM 324 C ASP A 22 13.187 5.081 -8.459 1.00 51.21 C ATOM 325 O ASP A 22 13.332 6.289 -8.644 1.00 71.02 O ATOM 326 CB ASP A 22 15.093 4.373 -9.917 1.00 72.31 C ATOM 327 CG ASP A 22 15.988 4.664 -8.729 1.00 2.01 C ATOM 328 OD1 ASP A 22 15.714 5.644 -8.005 1.00 35.14 O ATOM 329 OD2 ASP A 22 16.963 3.912 -8.523 1.00 21.33 O ATOM 0 H ASP A 22 13.159 4.575 -11.477 1.00 34.11 H new ATOM 0 HA ASP A 22 13.610 3.074 -9.060 1.00 40.25 H new ATOM 0 HB2 ASP A 22 15.494 3.525 -10.472 1.00 72.31 H new ATOM 0 HB3 ASP A 22 15.101 5.228 -10.593 1.00 72.31 H new ATOM 334 N GLU A 23 12.627 4.578 -7.363 1.00 52.24 N ATOM 335 CA GLU A 23 12.139 5.438 -6.292 1.00 12.41 C ATOM 336 C GLU A 23 13.193 5.599 -5.200 1.00 72.31 C ATOM 337 O GLU A 23 12.866 5.782 -4.028 1.00 54.14 O ATOM 338 CB GLU A 23 10.852 4.866 -5.694 1.00 21.31 C ATOM 339 CG GLU A 23 9.587 5.478 -6.272 1.00 22.50 C ATOM 340 CD GLU A 23 8.894 6.412 -5.299 1.00 73.53 C ATOM 341 OE1 GLU A 23 9.548 7.362 -4.821 1.00 62.23 O ATOM 342 OE2 GLU A 23 7.698 6.192 -5.016 1.00 15.50 O ATOM 0 H GLU A 23 12.500 3.580 -7.194 1.00 52.24 H new ATOM 0 HA GLU A 23 11.928 6.419 -6.717 1.00 12.41 H new ATOM 0 HB2 GLU A 23 10.832 3.789 -5.859 1.00 21.31 H new ATOM 0 HB3 GLU A 23 10.861 5.023 -4.615 1.00 21.31 H new ATOM 0 HG2 GLU A 23 9.835 6.026 -7.181 1.00 22.50 H new ATOM 0 HG3 GLU A 23 8.900 4.681 -6.557 1.00 22.50 H new ATOM 349 N GLY A 24 14.461 5.527 -5.594 1.00 53.23 N ATOM 350 CA GLY A 24 15.544 5.665 -4.638 1.00 53.43 C ATOM 351 C GLY A 24 16.039 4.328 -4.126 1.00 30.40 C ATOM 352 O GLY A 24 16.658 4.252 -3.064 1.00 75.41 O ATOM 0 H GLY A 24 14.757 5.376 -6.558 1.00 53.23 H new ATOM 0 HA2 GLY A 24 16.371 6.200 -5.105 1.00 53.43 H new ATOM 0 HA3 GLY A 24 15.207 6.271 -3.797 1.00 53.43 H new ATOM 356 N PHE A 25 15.766 3.269 -4.881 1.00 33.41 N ATOM 357 CA PHE A 25 16.186 1.926 -4.496 1.00 15.32 C ATOM 358 C PHE A 25 17.704 1.791 -4.562 1.00 40.32 C ATOM 359 O PHE A 25 18.391 2.651 -5.115 1.00 32.34 O ATOM 360 CB PHE A 25 15.529 0.884 -5.403 1.00 64.33 C ATOM 361 CG PHE A 25 14.029 0.899 -5.346 1.00 74.14 C ATOM 362 CD1 PHE A 25 13.353 0.213 -4.350 1.00 71.53 C ATOM 363 CD2 PHE A 25 13.293 1.600 -6.289 1.00 4.15 C ATOM 364 CE1 PHE A 25 11.972 0.224 -4.296 1.00 50.32 C ATOM 365 CE2 PHE A 25 11.912 1.616 -6.239 1.00 62.13 C ATOM 366 CZ PHE A 25 11.251 0.928 -5.241 1.00 73.11 C ATOM 0 H PHE A 25 15.256 3.315 -5.763 1.00 33.41 H new ATOM 0 HA PHE A 25 15.869 1.754 -3.468 1.00 15.32 H new ATOM 0 HB2 PHE A 25 15.847 1.057 -6.431 1.00 64.33 H new ATOM 0 HB3 PHE A 25 15.885 -0.107 -5.122 1.00 64.33 H new ATOM 0 HD1 PHE A 25 13.912 -0.337 -3.607 1.00 71.53 H new ATOM 0 HD2 PHE A 25 13.805 2.140 -7.072 1.00 4.15 H new ATOM 0 HE1 PHE A 25 11.457 -0.317 -3.516 1.00 50.32 H new ATOM 0 HE2 PHE A 25 11.351 2.166 -6.980 1.00 62.13 H new ATOM 0 HZ PHE A 25 10.172 0.940 -5.199 1.00 73.11 H new ATOM 376 N SER A 26 18.221 0.706 -3.994 1.00 41.44 N ATOM 377 CA SER A 26 19.658 0.460 -3.985 1.00 23.04 C ATOM 378 C SER A 26 19.972 -0.942 -4.497 1.00 25.43 C ATOM 379 O SER A 26 21.134 -1.291 -4.713 1.00 73.35 O ATOM 380 CB SER A 26 20.218 0.637 -2.572 1.00 32.43 C ATOM 381 OG SER A 26 21.634 0.669 -2.585 1.00 4.54 O ATOM 0 H SER A 26 17.666 -0.016 -3.534 1.00 41.44 H new ATOM 0 HA SER A 26 20.130 1.184 -4.649 1.00 23.04 H new ATOM 0 HB2 SER A 26 19.834 1.561 -2.138 1.00 32.43 H new ATOM 0 HB3 SER A 26 19.875 -0.180 -1.937 1.00 32.43 H new ATOM 0 HG SER A 26 21.967 0.114 -3.321 1.00 4.54 H new ATOM 387 N LEU A 27 18.930 -1.743 -4.688 1.00 14.21 N ATOM 388 CA LEU A 27 19.092 -3.108 -5.175 1.00 24.44 C ATOM 389 C LEU A 27 17.818 -3.600 -5.854 1.00 42.31 C ATOM 390 O LEU A 27 16.710 -3.285 -5.421 1.00 12.45 O ATOM 391 CB LEU A 27 19.461 -4.042 -4.020 1.00 52.21 C ATOM 392 CG LEU A 27 19.063 -5.508 -4.190 1.00 34.45 C ATOM 393 CD1 LEU A 27 17.552 -5.665 -4.102 1.00 65.11 C ATOM 394 CD2 LEU A 27 19.581 -6.052 -5.513 1.00 24.43 C ATOM 0 H LEU A 27 17.963 -1.470 -4.513 1.00 14.21 H new ATOM 0 HA LEU A 27 19.897 -3.112 -5.910 1.00 24.44 H new ATOM 0 HB2 LEU A 27 20.540 -3.994 -3.871 1.00 52.21 H new ATOM 0 HB3 LEU A 27 18.996 -3.663 -3.110 1.00 52.21 H new ATOM 0 HG LEU A 27 19.515 -6.083 -3.382 1.00 34.45 H new ATOM 0 HD11 LEU A 27 17.288 -6.715 -4.225 1.00 65.11 H new ATOM 0 HD12 LEU A 27 17.206 -5.315 -3.129 1.00 65.11 H new ATOM 0 HD13 LEU A 27 17.079 -5.077 -4.888 1.00 65.11 H new ATOM 0 HD21 LEU A 27 19.288 -7.097 -5.616 1.00 24.43 H new ATOM 0 HD22 LEU A 27 19.159 -5.474 -6.335 1.00 24.43 H new ATOM 0 HD23 LEU A 27 20.668 -5.976 -5.537 1.00 24.43 H new ATOM 406 N PHE A 28 17.984 -4.375 -6.921 1.00 33.25 N ATOM 407 CA PHE A 28 16.847 -4.912 -7.660 1.00 12.34 C ATOM 408 C PHE A 28 17.104 -6.356 -8.079 1.00 35.20 C ATOM 409 O PHE A 28 18.243 -6.747 -8.332 1.00 55.05 O ATOM 410 CB PHE A 28 16.563 -4.053 -8.894 1.00 32.12 C ATOM 411 CG PHE A 28 15.121 -3.654 -9.027 1.00 41.52 C ATOM 412 CD1 PHE A 28 14.140 -4.609 -9.237 1.00 21.22 C ATOM 413 CD2 PHE A 28 14.747 -2.322 -8.943 1.00 40.05 C ATOM 414 CE1 PHE A 28 12.812 -4.245 -9.360 1.00 4.14 C ATOM 415 CE2 PHE A 28 13.421 -1.952 -9.065 1.00 40.20 C ATOM 416 CZ PHE A 28 12.453 -2.914 -9.275 1.00 33.24 C ATOM 0 H PHE A 28 18.894 -4.645 -7.293 1.00 33.25 H new ATOM 0 HA PHE A 28 15.977 -4.892 -7.004 1.00 12.34 H new ATOM 0 HB2 PHE A 28 17.178 -3.154 -8.851 1.00 32.12 H new ATOM 0 HB3 PHE A 28 16.864 -4.602 -9.786 1.00 32.12 H new ATOM 0 HD1 PHE A 28 14.416 -5.651 -9.306 1.00 21.22 H new ATOM 0 HD2 PHE A 28 15.500 -1.565 -8.780 1.00 40.05 H new ATOM 0 HE1 PHE A 28 12.057 -5.000 -9.522 1.00 4.14 H new ATOM 0 HE2 PHE A 28 13.142 -0.911 -8.996 1.00 40.20 H new ATOM 0 HZ PHE A 28 11.417 -2.626 -9.373 1.00 33.24 H new ATOM 426 N ALA A 29 16.036 -7.144 -8.149 1.00 73.31 N ATOM 427 CA ALA A 29 16.144 -8.545 -8.539 1.00 1.42 C ATOM 428 C ALA A 29 15.005 -8.945 -9.469 1.00 75.34 C ATOM 429 O ALA A 29 13.849 -8.587 -9.242 1.00 33.43 O ATOM 430 CB ALA A 29 16.159 -9.436 -7.306 1.00 4.13 C ATOM 0 H ALA A 29 15.086 -6.836 -7.941 1.00 73.31 H new ATOM 0 HA ALA A 29 17.082 -8.675 -9.079 1.00 1.42 H new ATOM 0 HB1 ALA A 29 16.240 -10.479 -7.612 1.00 4.13 H new ATOM 0 HB2 ALA A 29 17.011 -9.175 -6.679 1.00 4.13 H new ATOM 0 HB3 ALA A 29 15.237 -9.294 -6.743 1.00 4.13 H new ATOM 436 N PHE A 30 15.338 -9.689 -10.519 1.00 34.31 N ATOM 437 CA PHE A 30 14.342 -10.137 -11.485 1.00 73.34 C ATOM 438 C PHE A 30 14.268 -11.661 -11.524 1.00 11.12 C ATOM 439 O PHE A 30 15.257 -12.335 -11.813 1.00 3.32 O ATOM 440 CB PHE A 30 14.672 -9.596 -12.878 1.00 22.20 C ATOM 441 CG PHE A 30 14.416 -8.124 -13.025 1.00 51.43 C ATOM 442 CD1 PHE A 30 14.951 -7.220 -12.121 1.00 73.04 C ATOM 443 CD2 PHE A 30 13.640 -7.643 -14.068 1.00 34.04 C ATOM 444 CE1 PHE A 30 14.717 -5.864 -12.254 1.00 61.13 C ATOM 445 CE2 PHE A 30 13.403 -6.288 -14.206 1.00 30.42 C ATOM 446 CZ PHE A 30 13.941 -5.398 -13.297 1.00 63.04 C ATOM 0 H PHE A 30 16.290 -9.994 -10.722 1.00 34.31 H new ATOM 0 HA PHE A 30 13.371 -9.751 -11.173 1.00 73.34 H new ATOM 0 HB2 PHE A 30 15.720 -9.798 -13.099 1.00 22.20 H new ATOM 0 HB3 PHE A 30 14.081 -10.135 -13.618 1.00 22.20 H new ATOM 0 HD1 PHE A 30 15.558 -7.579 -11.303 1.00 73.04 H new ATOM 0 HD2 PHE A 30 13.216 -8.335 -14.781 1.00 34.04 H new ATOM 0 HE1 PHE A 30 15.141 -5.170 -11.543 1.00 61.13 H new ATOM 0 HE2 PHE A 30 12.798 -5.926 -15.024 1.00 30.42 H new ATOM 0 HZ PHE A 30 13.755 -4.339 -13.402 1.00 63.04 H new ATOM 456 N HIS A 31 13.088 -12.198 -11.229 1.00 50.25 N ATOM 457 CA HIS A 31 12.884 -13.642 -11.230 1.00 73.00 C ATOM 458 C HIS A 31 11.451 -13.988 -11.624 1.00 12.14 C ATOM 459 O HIS A 31 10.562 -14.053 -10.775 1.00 61.15 O ATOM 460 CB HIS A 31 13.201 -14.224 -9.852 1.00 50.31 C ATOM 461 CG HIS A 31 14.668 -14.355 -9.581 1.00 21.02 C ATOM 462 ND1 HIS A 31 15.591 -13.427 -9.236 1.00 45.50 N flip ATOM 463 CD2 HIS A 31 15.342 -15.556 -9.654 1.00 42.03 C flip ATOM 464 CE1 HIS A 31 16.794 -14.077 -9.108 1.00 14.43 C flip ATOM 465 NE2 HIS A 31 16.617 -15.361 -9.365 1.00 31.12 N flip ATOM 0 H HIS A 31 12.259 -11.655 -10.986 1.00 50.25 H new ATOM 0 HA HIS A 31 13.560 -14.079 -11.965 1.00 73.00 H new ATOM 0 HB2 HIS A 31 12.754 -13.589 -9.087 1.00 50.31 H new ATOM 0 HB3 HIS A 31 12.735 -15.205 -9.765 1.00 50.31 H new ATOM 0 HD2 HIS A 31 14.898 -16.507 -9.908 1.00 42.03 H new ATOM 0 HE1 HIS A 31 17.732 -13.614 -8.841 1.00 14.43 H new ATOM 0 HE2 HIS A 31 17.341 -16.079 -9.344 1.00 31.12 H new ATOM 473 N GLY A 32 11.234 -14.208 -12.917 1.00 31.01 N ATOM 474 CA GLY A 32 9.907 -14.543 -13.400 1.00 62.40 C ATOM 475 C GLY A 32 9.942 -15.519 -14.560 1.00 11.31 C ATOM 476 O GLY A 32 11.010 -15.829 -15.088 1.00 73.34 O ATOM 0 H GLY A 32 11.953 -14.160 -13.639 1.00 31.01 H new ATOM 0 HA2 GLY A 32 9.325 -14.973 -12.585 1.00 62.40 H new ATOM 0 HA3 GLY A 32 9.396 -13.632 -13.711 1.00 62.40 H new ATOM 480 N LYS A 33 8.771 -16.005 -14.957 1.00 70.11 N ATOM 481 CA LYS A 33 8.670 -16.952 -16.062 1.00 0.44 C ATOM 482 C LYS A 33 7.628 -16.494 -17.077 1.00 42.52 C ATOM 483 O LYS A 33 7.205 -15.337 -17.069 1.00 12.22 O ATOM 484 CB LYS A 33 8.309 -18.343 -15.537 1.00 13.14 C ATOM 485 CG LYS A 33 9.032 -18.716 -14.254 1.00 40.21 C ATOM 486 CD LYS A 33 8.086 -19.341 -13.242 1.00 45.11 C ATOM 487 CE LYS A 33 7.904 -20.829 -13.496 1.00 35.44 C ATOM 488 NZ LYS A 33 8.527 -21.655 -12.425 1.00 24.22 N ATOM 0 H LYS A 33 7.878 -15.759 -14.530 1.00 70.11 H new ATOM 0 HA LYS A 33 9.639 -16.998 -16.558 1.00 0.44 H new ATOM 0 HB2 LYS A 33 7.234 -18.389 -15.365 1.00 13.14 H new ATOM 0 HB3 LYS A 33 8.541 -19.083 -16.303 1.00 13.14 H new ATOM 0 HG2 LYS A 33 9.838 -19.414 -14.479 1.00 40.21 H new ATOM 0 HG3 LYS A 33 9.492 -17.827 -13.823 1.00 40.21 H new ATOM 0 HD2 LYS A 33 8.475 -19.187 -12.235 1.00 45.11 H new ATOM 0 HD3 LYS A 33 7.118 -18.841 -13.290 1.00 45.11 H new ATOM 0 HE2 LYS A 33 6.840 -21.059 -13.560 1.00 35.44 H new ATOM 0 HE3 LYS A 33 8.345 -21.090 -14.458 1.00 35.44 H new ATOM 0 HZ1 LYS A 33 8.281 -22.655 -12.570 1.00 24.22 H new ATOM 0 HZ2 LYS A 33 9.561 -21.545 -12.458 1.00 24.22 H new ATOM 0 HZ3 LYS A 33 8.175 -21.343 -11.497 1.00 24.22 H new ATOM 502 N LEU A 34 7.218 -17.407 -17.950 1.00 33.23 N ATOM 503 CA LEU A 34 6.223 -17.097 -18.971 1.00 64.33 C ATOM 504 C LEU A 34 5.192 -18.215 -19.084 1.00 33.22 C ATOM 505 O LEU A 34 5.525 -19.394 -18.971 1.00 73.01 O ATOM 506 CB LEU A 34 6.904 -16.878 -20.324 1.00 0.15 C ATOM 507 CG LEU A 34 6.036 -16.258 -21.419 1.00 1.40 C ATOM 508 CD1 LEU A 34 6.059 -14.740 -21.323 1.00 30.02 C ATOM 509 CD2 LEU A 34 6.505 -16.714 -22.793 1.00 14.10 C ATOM 0 H LEU A 34 7.559 -18.368 -17.972 1.00 33.23 H new ATOM 0 HA LEU A 34 5.709 -16.182 -18.676 1.00 64.33 H new ATOM 0 HB2 LEU A 34 7.773 -16.238 -20.171 1.00 0.15 H new ATOM 0 HB3 LEU A 34 7.274 -17.839 -20.682 1.00 0.15 H new ATOM 0 HG LEU A 34 5.009 -16.595 -21.277 1.00 1.40 H new ATOM 0 HD11 LEU A 34 5.436 -14.316 -22.110 1.00 30.02 H new ATOM 0 HD12 LEU A 34 5.675 -14.431 -20.351 1.00 30.02 H new ATOM 0 HD13 LEU A 34 7.082 -14.384 -21.439 1.00 30.02 H new ATOM 0 HD21 LEU A 34 5.876 -16.263 -23.560 1.00 14.10 H new ATOM 0 HD22 LEU A 34 7.540 -16.406 -22.945 1.00 14.10 H new ATOM 0 HD23 LEU A 34 6.436 -17.800 -22.859 1.00 14.10 H new ATOM 521 N ASN A 35 3.938 -17.836 -19.309 1.00 11.22 N ATOM 522 CA ASN A 35 2.857 -18.807 -19.439 1.00 3.44 C ATOM 523 C ASN A 35 2.810 -19.733 -18.228 1.00 22.34 C ATOM 524 O ASN A 35 2.327 -20.861 -18.316 1.00 33.30 O ATOM 525 CB ASN A 35 3.033 -19.628 -20.717 1.00 73.32 C ATOM 526 CG ASN A 35 2.505 -18.909 -21.944 1.00 23.03 C ATOM 527 OD1 ASN A 35 1.320 -18.996 -22.266 1.00 65.15 O ATOM 528 ND2 ASN A 35 3.386 -18.193 -22.634 1.00 33.50 N ATOM 0 H ASN A 35 3.645 -16.864 -19.405 1.00 11.22 H new ATOM 0 HA ASN A 35 1.915 -18.261 -19.493 1.00 3.44 H new ATOM 0 HB2 ASN A 35 4.090 -19.853 -20.858 1.00 73.32 H new ATOM 0 HB3 ASN A 35 2.516 -20.581 -20.607 1.00 73.32 H new ATOM 0 HD21 ASN A 35 3.090 -17.686 -23.468 1.00 33.50 H new ATOM 0 HD22 ASN A 35 4.359 -18.150 -22.329 1.00 33.50 H new ATOM 535 N GLU A 36 3.315 -19.248 -17.098 1.00 25.02 N ATOM 536 CA GLU A 36 3.331 -20.033 -15.869 1.00 71.43 C ATOM 537 C GLU A 36 3.672 -19.157 -14.667 1.00 62.15 C ATOM 538 O GLU A 36 4.517 -18.267 -14.756 1.00 51.22 O ATOM 539 CB GLU A 36 4.340 -21.178 -15.982 1.00 73.33 C ATOM 540 CG GLU A 36 4.224 -22.204 -14.867 1.00 74.25 C ATOM 541 CD GLU A 36 5.159 -23.382 -15.059 1.00 5.14 C ATOM 542 OE1 GLU A 36 6.361 -23.150 -15.310 1.00 13.53 O ATOM 543 OE2 GLU A 36 4.691 -24.535 -14.957 1.00 44.03 O ATOM 0 H GLU A 36 3.718 -18.315 -17.008 1.00 25.02 H new ATOM 0 HA GLU A 36 2.334 -20.449 -15.722 1.00 71.43 H new ATOM 0 HB2 GLU A 36 4.203 -21.679 -16.941 1.00 73.33 H new ATOM 0 HB3 GLU A 36 5.348 -20.764 -15.980 1.00 73.33 H new ATOM 0 HG2 GLU A 36 4.441 -21.724 -13.913 1.00 74.25 H new ATOM 0 HG3 GLU A 36 3.197 -22.565 -14.816 1.00 74.25 H new ATOM 550 N GLU A 37 3.008 -19.417 -13.545 1.00 41.25 N ATOM 551 CA GLU A 37 3.240 -18.651 -12.327 1.00 1.24 C ATOM 552 C GLU A 37 3.866 -19.526 -11.245 1.00 32.34 C ATOM 553 O GLU A 37 3.789 -20.753 -11.303 1.00 63.12 O ATOM 554 CB GLU A 37 1.928 -18.051 -11.817 1.00 51.02 C ATOM 555 CG GLU A 37 0.919 -19.092 -11.363 1.00 12.04 C ATOM 556 CD GLU A 37 -0.218 -18.491 -10.559 1.00 3.33 C ATOM 557 OE1 GLU A 37 0.066 -17.747 -9.596 1.00 52.13 O ATOM 558 OE2 GLU A 37 -1.390 -18.764 -10.891 1.00 42.14 O ATOM 0 H GLU A 37 2.306 -20.151 -13.455 1.00 41.25 H new ATOM 0 HA GLU A 37 3.933 -17.843 -12.563 1.00 1.24 H new ATOM 0 HB2 GLU A 37 2.144 -17.380 -10.986 1.00 51.02 H new ATOM 0 HB3 GLU A 37 1.483 -17.446 -12.607 1.00 51.02 H new ATOM 0 HG2 GLU A 37 0.512 -19.603 -12.236 1.00 12.04 H new ATOM 0 HG3 GLU A 37 1.426 -19.846 -10.761 1.00 12.04 H new ATOM 565 N MET A 38 4.485 -18.886 -10.258 1.00 51.02 N ATOM 566 CA MET A 38 5.123 -19.606 -9.162 1.00 44.15 C ATOM 567 C MET A 38 4.327 -19.448 -7.871 1.00 41.11 C ATOM 568 O MET A 38 3.237 -18.878 -7.870 1.00 53.33 O ATOM 569 CB MET A 38 6.554 -19.103 -8.958 1.00 53.13 C ATOM 570 CG MET A 38 6.663 -17.588 -8.904 1.00 11.35 C ATOM 571 SD MET A 38 7.135 -16.868 -10.488 1.00 4.34 S ATOM 572 CE MET A 38 8.906 -16.708 -10.272 1.00 64.23 C ATOM 0 H MET A 38 4.558 -17.871 -10.195 1.00 51.02 H new ATOM 0 HA MET A 38 5.151 -20.664 -9.423 1.00 44.15 H new ATOM 0 HB2 MET A 38 6.949 -19.521 -8.032 1.00 53.13 H new ATOM 0 HB3 MET A 38 7.181 -19.476 -9.768 1.00 53.13 H new ATOM 0 HG2 MET A 38 5.707 -17.170 -8.590 1.00 11.35 H new ATOM 0 HG3 MET A 38 7.397 -17.307 -8.149 1.00 11.35 H new ATOM 0 HE1 MET A 38 9.392 -16.693 -11.248 1.00 64.23 H new ATOM 0 HE2 MET A 38 9.126 -15.781 -9.743 1.00 64.23 H new ATOM 0 HE3 MET A 38 9.280 -17.553 -9.694 1.00 64.23 H new ATOM 582 N GLU A 39 4.880 -19.957 -6.774 1.00 55.32 N ATOM 583 CA GLU A 39 4.219 -19.872 -5.477 1.00 73.11 C ATOM 584 C GLU A 39 5.045 -19.041 -4.499 1.00 35.40 C ATOM 585 O GLU A 39 6.274 -19.055 -4.540 1.00 30.32 O ATOM 586 CB GLU A 39 3.987 -21.272 -4.905 1.00 63.34 C ATOM 587 CG GLU A 39 2.531 -21.568 -4.589 1.00 52.24 C ATOM 588 CD GLU A 39 2.053 -22.869 -5.204 1.00 52.12 C ATOM 589 OE1 GLU A 39 2.558 -23.937 -4.799 1.00 44.31 O ATOM 590 OE2 GLU A 39 1.174 -22.820 -6.090 1.00 10.21 O ATOM 0 H GLU A 39 5.783 -20.432 -6.758 1.00 55.32 H new ATOM 0 HA GLU A 39 3.256 -19.382 -5.620 1.00 73.11 H new ATOM 0 HB2 GLU A 39 4.353 -22.011 -5.618 1.00 63.34 H new ATOM 0 HB3 GLU A 39 4.578 -21.386 -3.996 1.00 63.34 H new ATOM 0 HG2 GLU A 39 2.399 -21.612 -3.508 1.00 52.24 H new ATOM 0 HG3 GLU A 39 1.910 -20.749 -4.953 1.00 52.24 H new ATOM 597 N GLY A 40 4.358 -18.318 -3.620 1.00 1.52 N ATOM 598 CA GLY A 40 5.043 -17.490 -2.644 1.00 64.21 C ATOM 599 C GLY A 40 6.068 -16.572 -3.280 1.00 40.11 C ATOM 600 O GLY A 40 5.728 -15.495 -3.771 1.00 55.22 O ATOM 0 H GLY A 40 3.340 -18.291 -3.566 1.00 1.52 H new ATOM 0 HA2 GLY A 40 4.311 -16.892 -2.102 1.00 64.21 H new ATOM 0 HA3 GLY A 40 5.537 -18.129 -1.912 1.00 64.21 H new ATOM 604 N LEU A 41 7.327 -16.996 -3.270 1.00 72.15 N ATOM 605 CA LEU A 41 8.406 -16.203 -3.850 1.00 32.34 C ATOM 606 C LEU A 41 9.635 -17.067 -4.113 1.00 61.04 C ATOM 607 O LEU A 41 10.515 -17.188 -3.261 1.00 55.43 O ATOM 608 CB LEU A 41 8.772 -15.046 -2.918 1.00 73.42 C ATOM 609 CG LEU A 41 9.066 -15.422 -1.465 1.00 44.35 C ATOM 610 CD1 LEU A 41 10.483 -15.019 -1.087 1.00 64.51 C ATOM 611 CD2 LEU A 41 8.058 -14.770 -0.531 1.00 55.21 C ATOM 0 H LEU A 41 7.626 -17.884 -2.867 1.00 72.15 H new ATOM 0 HA LEU A 41 8.058 -15.800 -4.801 1.00 32.34 H new ATOM 0 HB2 LEU A 41 9.647 -14.540 -3.326 1.00 73.42 H new ATOM 0 HB3 LEU A 41 7.954 -14.325 -2.928 1.00 73.42 H new ATOM 0 HG LEU A 41 8.978 -16.504 -1.364 1.00 44.35 H new ATOM 0 HD11 LEU A 41 10.675 -15.294 -0.050 1.00 64.51 H new ATOM 0 HD12 LEU A 41 11.193 -15.532 -1.736 1.00 64.51 H new ATOM 0 HD13 LEU A 41 10.598 -13.941 -1.204 1.00 64.51 H new ATOM 0 HD21 LEU A 41 8.283 -15.049 0.499 1.00 55.21 H new ATOM 0 HD22 LEU A 41 8.114 -13.686 -0.634 1.00 55.21 H new ATOM 0 HD23 LEU A 41 7.054 -15.107 -0.787 1.00 55.21 H new ATOM 623 N GLU A 42 9.689 -17.664 -5.300 1.00 41.21 N ATOM 624 CA GLU A 42 10.812 -18.515 -5.676 1.00 31.02 C ATOM 625 C GLU A 42 11.421 -18.060 -6.999 1.00 75.12 C ATOM 626 O GLU A 42 10.901 -17.159 -7.656 1.00 55.04 O ATOM 627 CB GLU A 42 10.361 -19.973 -5.784 1.00 23.33 C ATOM 628 CG GLU A 42 9.449 -20.242 -6.968 1.00 73.44 C ATOM 629 CD GLU A 42 9.344 -21.718 -7.301 1.00 34.25 C ATOM 630 OE1 GLU A 42 8.546 -22.418 -6.643 1.00 35.34 O ATOM 631 OE2 GLU A 42 10.059 -22.173 -8.217 1.00 51.03 O ATOM 0 H GLU A 42 8.969 -17.574 -6.017 1.00 41.21 H new ATOM 0 HA GLU A 42 11.573 -18.434 -4.899 1.00 31.02 H new ATOM 0 HB2 GLU A 42 11.241 -20.612 -5.861 1.00 23.33 H new ATOM 0 HB3 GLU A 42 9.843 -20.253 -4.867 1.00 23.33 H new ATOM 0 HG2 GLU A 42 8.455 -19.851 -6.752 1.00 73.44 H new ATOM 0 HG3 GLU A 42 9.822 -19.703 -7.839 1.00 73.44 H new ATOM 638 N ALA A 43 12.526 -18.690 -7.383 1.00 30.21 N ATOM 639 CA ALA A 43 13.205 -18.352 -8.627 1.00 61.05 C ATOM 640 C ALA A 43 12.621 -19.132 -9.801 1.00 3.32 C ATOM 641 O ALA A 43 12.898 -20.318 -9.969 1.00 63.44 O ATOM 642 CB ALA A 43 14.698 -18.620 -8.504 1.00 12.32 C ATOM 0 H ALA A 43 12.970 -19.438 -6.850 1.00 30.21 H new ATOM 0 HA ALA A 43 13.052 -17.290 -8.818 1.00 61.05 H new ATOM 0 HB1 ALA A 43 15.192 -18.363 -9.441 1.00 12.32 H new ATOM 0 HB2 ALA A 43 15.111 -18.014 -7.698 1.00 12.32 H new ATOM 0 HB3 ALA A 43 14.861 -19.675 -8.285 1.00 12.32 H new ATOM 648 N GLY A 44 11.811 -18.456 -10.610 1.00 34.12 N ATOM 649 CA GLY A 44 11.200 -19.102 -11.757 1.00 32.43 C ATOM 650 C GLY A 44 12.219 -19.518 -12.799 1.00 20.54 C ATOM 651 O GLY A 44 13.022 -20.423 -12.566 1.00 10.31 O ATOM 0 H GLY A 44 11.567 -17.473 -10.492 1.00 34.12 H new ATOM 0 HA2 GLY A 44 10.647 -19.980 -11.424 1.00 32.43 H new ATOM 0 HA3 GLY A 44 10.478 -18.423 -12.210 1.00 32.43 H new ATOM 655 N HIS A 45 12.187 -18.859 -13.952 1.00 40.32 N ATOM 656 CA HIS A 45 13.115 -19.166 -15.035 1.00 31.22 C ATOM 657 C HIS A 45 14.248 -18.145 -15.086 1.00 33.43 C ATOM 658 O HIS A 45 15.414 -18.488 -14.890 1.00 12.00 O ATOM 659 CB HIS A 45 12.378 -19.195 -16.374 1.00 12.40 C ATOM 660 CG HIS A 45 12.544 -20.482 -17.122 1.00 12.51 C ATOM 661 ND1 HIS A 45 13.734 -20.867 -17.701 1.00 63.21 N ATOM 662 CD2 HIS A 45 11.661 -21.474 -17.382 1.00 64.43 C ATOM 663 CE1 HIS A 45 13.577 -22.041 -18.287 1.00 15.31 C ATOM 664 NE2 HIS A 45 12.328 -22.431 -18.108 1.00 34.34 N ATOM 0 H HIS A 45 11.529 -18.109 -14.161 1.00 40.32 H new ATOM 0 HA HIS A 45 13.544 -20.149 -14.844 1.00 31.22 H new ATOM 0 HB2 HIS A 45 11.316 -19.021 -16.199 1.00 12.40 H new ATOM 0 HB3 HIS A 45 12.738 -18.375 -16.995 1.00 12.40 H new ATOM 0 HD2 HIS A 45 10.626 -21.507 -17.076 1.00 64.43 H new ATOM 0 HE1 HIS A 45 14.340 -22.588 -18.821 1.00 15.31 H new ATOM 0 HE2 HIS A 45 11.924 -23.302 -18.453 1.00 34.34 H new ATOM 672 N TRP A 46 13.897 -16.892 -15.350 1.00 74.32 N ATOM 673 CA TRP A 46 14.884 -15.822 -15.428 1.00 25.03 C ATOM 674 C TRP A 46 15.519 -15.567 -14.065 1.00 21.40 C ATOM 675 O TRP A 46 14.869 -15.715 -13.030 1.00 63.40 O ATOM 676 CB TRP A 46 14.236 -14.539 -15.950 1.00 45.22 C ATOM 677 CG TRP A 46 13.602 -14.700 -17.298 1.00 61.15 C ATOM 678 CD1 TRP A 46 14.201 -15.160 -18.436 1.00 61.52 C ATOM 679 CD2 TRP A 46 12.247 -14.400 -17.649 1.00 40.44 C ATOM 680 NE1 TRP A 46 13.300 -15.164 -19.473 1.00 72.34 N ATOM 681 CE2 TRP A 46 12.094 -14.703 -19.017 1.00 13.15 C ATOM 682 CE3 TRP A 46 11.148 -13.906 -16.942 1.00 12.02 C ATOM 683 CZ2 TRP A 46 10.886 -14.527 -19.687 1.00 2.22 C ATOM 684 CZ3 TRP A 46 9.950 -13.731 -17.609 1.00 21.54 C ATOM 685 CH2 TRP A 46 9.827 -14.042 -18.969 1.00 55.15 C ATOM 0 H TRP A 46 12.936 -16.592 -15.514 1.00 74.32 H new ATOM 0 HA TRP A 46 15.666 -16.133 -16.120 1.00 25.03 H new ATOM 0 HB2 TRP A 46 13.480 -14.207 -15.238 1.00 45.22 H new ATOM 0 HB3 TRP A 46 14.991 -13.755 -16.003 1.00 45.22 H new ATOM 0 HD1 TRP A 46 15.232 -15.474 -18.510 1.00 61.52 H new ATOM 0 HE1 TRP A 46 13.497 -15.462 -20.428 1.00 72.34 H new ATOM 0 HE3 TRP A 46 11.233 -13.665 -15.893 1.00 12.02 H new ATOM 0 HZ2 TRP A 46 10.788 -14.765 -20.736 1.00 2.22 H new ATOM 0 HZ3 TRP A 46 9.095 -13.348 -17.072 1.00 21.54 H new ATOM 0 HH2 TRP A 46 8.877 -13.896 -19.461 1.00 55.15 H new ATOM 696 N SER A 47 16.792 -15.184 -14.072 1.00 14.51 N ATOM 697 CA SER A 47 17.515 -14.912 -12.835 1.00 52.32 C ATOM 698 C SER A 47 18.532 -13.792 -13.035 1.00 73.13 C ATOM 699 O SER A 47 19.519 -13.956 -13.753 1.00 32.25 O ATOM 700 CB SER A 47 18.222 -16.177 -12.344 1.00 51.45 C ATOM 701 OG SER A 47 19.136 -16.659 -13.314 1.00 53.13 O ATOM 0 H SER A 47 17.344 -15.055 -14.920 1.00 14.51 H new ATOM 0 HA SER A 47 16.793 -14.593 -12.083 1.00 52.32 H new ATOM 0 HB2 SER A 47 18.751 -15.964 -11.415 1.00 51.45 H new ATOM 0 HB3 SER A 47 17.483 -16.947 -12.121 1.00 51.45 H new ATOM 0 HG SER A 47 19.567 -15.902 -13.762 1.00 53.13 H new ATOM 707 N ARG A 48 18.283 -12.654 -12.396 1.00 53.10 N ATOM 708 CA ARG A 48 19.175 -11.506 -12.504 1.00 52.11 C ATOM 709 C ARG A 48 19.047 -10.601 -11.282 1.00 23.42 C ATOM 710 O ARG A 48 18.070 -10.681 -10.538 1.00 13.42 O ATOM 711 CB ARG A 48 18.867 -10.711 -13.774 1.00 75.23 C ATOM 712 CG ARG A 48 20.101 -10.363 -14.589 1.00 42.44 C ATOM 713 CD ARG A 48 20.378 -8.867 -14.570 1.00 32.43 C ATOM 714 NE ARG A 48 21.348 -8.477 -15.589 1.00 54.24 N ATOM 715 CZ ARG A 48 22.655 -8.683 -15.477 1.00 41.04 C ATOM 716 NH1 ARG A 48 23.146 -9.273 -14.397 1.00 23.14 N ATOM 717 NH2 ARG A 48 23.474 -8.299 -16.448 1.00 60.03 N ATOM 0 H ARG A 48 17.471 -12.502 -11.798 1.00 53.10 H new ATOM 0 HA ARG A 48 20.199 -11.877 -12.555 1.00 52.11 H new ATOM 0 HB2 ARG A 48 18.182 -11.287 -14.396 1.00 75.23 H new ATOM 0 HB3 ARG A 48 18.351 -9.791 -13.500 1.00 75.23 H new ATOM 0 HG2 ARG A 48 20.963 -10.899 -14.192 1.00 42.44 H new ATOM 0 HG3 ARG A 48 19.965 -10.696 -15.618 1.00 42.44 H new ATOM 0 HD2 ARG A 48 19.447 -8.324 -14.730 1.00 32.43 H new ATOM 0 HD3 ARG A 48 20.750 -8.580 -13.587 1.00 32.43 H new ATOM 0 HE ARG A 48 21.003 -8.021 -16.434 1.00 54.24 H new ATOM 0 HH11 ARG A 48 22.520 -9.570 -13.649 1.00 23.14 H new ATOM 0 HH12 ARG A 48 24.150 -9.430 -14.314 1.00 23.14 H new ATOM 0 HH21 ARG A 48 23.100 -7.845 -17.281 1.00 60.03 H new ATOM 0 HH22 ARG A 48 24.478 -8.458 -16.361 1.00 60.03 H new ATOM 731 N ASP A 49 20.041 -9.743 -11.081 1.00 64.32 N ATOM 732 CA ASP A 49 20.041 -8.823 -9.950 1.00 34.22 C ATOM 733 C ASP A 49 20.666 -7.487 -10.336 1.00 2.41 C ATOM 734 O ASP A 49 21.845 -7.420 -10.686 1.00 72.24 O ATOM 735 CB ASP A 49 20.798 -9.433 -8.769 1.00 12.31 C ATOM 736 CG ASP A 49 21.748 -8.446 -8.119 1.00 32.00 C ATOM 737 OD1 ASP A 49 22.878 -8.288 -8.627 1.00 0.34 O ATOM 738 OD2 ASP A 49 21.361 -7.832 -7.103 1.00 51.53 O ATOM 0 H ASP A 49 20.858 -9.665 -11.687 1.00 64.32 H new ATOM 0 HA ASP A 49 19.006 -8.647 -9.656 1.00 34.22 H new ATOM 0 HB2 ASP A 49 20.083 -9.787 -8.027 1.00 12.31 H new ATOM 0 HB3 ASP A 49 21.360 -10.302 -9.111 1.00 12.31 H new ATOM 743 N ILE A 50 19.869 -6.425 -10.270 1.00 65.31 N ATOM 744 CA ILE A 50 20.346 -5.091 -10.613 1.00 15.11 C ATOM 745 C ILE A 50 20.710 -4.299 -9.362 1.00 14.03 C ATOM 746 O ILE A 50 19.835 -3.861 -8.614 1.00 11.34 O ATOM 747 CB ILE A 50 19.291 -4.306 -11.415 1.00 11.20 C ATOM 748 CG1 ILE A 50 18.634 -5.211 -12.459 1.00 65.21 C ATOM 749 CG2 ILE A 50 19.926 -3.094 -12.081 1.00 30.12 C ATOM 750 CD1 ILE A 50 19.606 -5.756 -13.483 1.00 32.23 C ATOM 0 H ILE A 50 18.891 -6.463 -9.982 1.00 65.31 H new ATOM 0 HA ILE A 50 21.236 -5.222 -11.229 1.00 15.11 H new ATOM 0 HB ILE A 50 18.520 -3.957 -10.728 1.00 11.20 H new ATOM 0 HG12 ILE A 50 18.148 -6.044 -11.952 1.00 65.21 H new ATOM 0 HG13 ILE A 50 17.853 -4.651 -12.973 1.00 65.21 H new ATOM 0 HG21 ILE A 50 19.168 -2.549 -12.644 1.00 30.12 H new ATOM 0 HG22 ILE A 50 20.351 -2.441 -11.319 1.00 30.12 H new ATOM 0 HG23 ILE A 50 20.715 -3.422 -12.758 1.00 30.12 H new ATOM 0 HD11 ILE A 50 19.071 -6.389 -14.191 1.00 32.23 H new ATOM 0 HD12 ILE A 50 20.074 -4.929 -14.017 1.00 32.23 H new ATOM 0 HD13 ILE A 50 20.374 -6.343 -12.979 1.00 32.23 H new ATOM 762 N THR A 51 22.008 -4.117 -9.140 1.00 52.20 N ATOM 763 CA THR A 51 22.489 -3.377 -7.980 1.00 53.11 C ATOM 764 C THR A 51 22.887 -1.956 -8.361 1.00 43.21 C ATOM 765 O THR A 51 23.805 -1.380 -7.777 1.00 44.53 O ATOM 766 CB THR A 51 23.694 -4.078 -7.327 1.00 23.44 C ATOM 767 OG1 THR A 51 24.790 -4.128 -8.247 1.00 22.10 O ATOM 768 CG2 THR A 51 23.328 -5.489 -6.890 1.00 2.24 C ATOM 0 H THR A 51 22.745 -4.472 -9.749 1.00 52.20 H new ATOM 0 HA THR A 51 21.667 -3.342 -7.265 1.00 53.11 H new ATOM 0 HB THR A 51 23.985 -3.506 -6.446 1.00 23.44 H new ATOM 0 HG1 THR A 51 25.553 -4.574 -7.823 1.00 22.10 H new ATOM 0 HG21 THR A 51 24.195 -5.964 -6.432 1.00 2.24 H new ATOM 0 HG22 THR A 51 22.513 -5.446 -6.167 1.00 2.24 H new ATOM 0 HG23 THR A 51 23.013 -6.069 -7.758 1.00 2.24 H new ATOM 776 N LYS A 52 22.191 -1.394 -9.344 1.00 20.34 N ATOM 777 CA LYS A 52 22.470 -0.039 -9.802 1.00 43.32 C ATOM 778 C LYS A 52 21.819 0.223 -11.156 1.00 73.23 C ATOM 779 O LYS A 52 21.871 -0.604 -12.067 1.00 52.02 O ATOM 780 CB LYS A 52 23.981 0.188 -9.899 1.00 13.01 C ATOM 781 CG LYS A 52 24.519 1.155 -8.858 1.00 34.40 C ATOM 782 CD LYS A 52 26.033 1.256 -8.921 1.00 64.11 C ATOM 783 CE LYS A 52 26.536 2.522 -8.244 1.00 70.12 C ATOM 784 NZ LYS A 52 28.004 2.473 -7.997 1.00 14.25 N ATOM 0 H LYS A 52 21.429 -1.857 -9.839 1.00 20.34 H new ATOM 0 HA LYS A 52 22.050 0.656 -9.076 1.00 43.32 H new ATOM 0 HB2 LYS A 52 24.491 -0.769 -9.792 1.00 13.01 H new ATOM 0 HB3 LYS A 52 24.220 0.567 -10.893 1.00 13.01 H new ATOM 0 HG2 LYS A 52 24.081 2.141 -9.015 1.00 34.40 H new ATOM 0 HG3 LYS A 52 24.216 0.826 -7.864 1.00 34.40 H new ATOM 0 HD2 LYS A 52 26.477 0.384 -8.441 1.00 64.11 H new ATOM 0 HD3 LYS A 52 26.356 1.246 -9.962 1.00 64.11 H new ATOM 0 HE2 LYS A 52 26.301 3.385 -8.867 1.00 70.12 H new ATOM 0 HE3 LYS A 52 26.013 2.660 -7.298 1.00 70.12 H new ATOM 0 HZ1 LYS A 52 28.308 3.354 -7.535 1.00 14.25 H new ATOM 0 HZ2 LYS A 52 28.226 1.664 -7.382 1.00 14.25 H new ATOM 0 HZ3 LYS A 52 28.505 2.367 -8.902 1.00 14.25 H new ATOM 798 N PRO A 53 21.191 1.400 -11.295 1.00 1.14 N ATOM 799 CA PRO A 53 20.519 1.798 -12.535 1.00 42.02 C ATOM 800 C PRO A 53 21.505 2.080 -13.664 1.00 22.03 C ATOM 801 O PRO A 53 22.712 1.891 -13.510 1.00 1.14 O ATOM 802 CB PRO A 53 19.777 3.077 -12.142 1.00 13.52 C ATOM 803 CG PRO A 53 20.549 3.625 -10.992 1.00 1.24 C ATOM 804 CD PRO A 53 21.089 2.434 -10.251 1.00 24.44 C ATOM 0 HA PRO A 53 19.868 1.011 -12.916 1.00 42.02 H new ATOM 0 HB2 PRO A 53 19.743 3.785 -12.970 1.00 13.52 H new ATOM 0 HB3 PRO A 53 18.745 2.866 -11.861 1.00 13.52 H new ATOM 0 HG2 PRO A 53 21.358 4.270 -11.337 1.00 1.24 H new ATOM 0 HG3 PRO A 53 19.912 4.230 -10.347 1.00 1.24 H new ATOM 0 HD2 PRO A 53 22.058 2.647 -9.800 1.00 24.44 H new ATOM 0 HD3 PRO A 53 20.423 2.127 -9.445 1.00 24.44 H new ATOM 812 N LYS A 54 20.984 2.534 -14.799 1.00 23.52 N ATOM 813 CA LYS A 54 21.818 2.844 -15.954 1.00 23.32 C ATOM 814 C LYS A 54 21.187 3.944 -16.801 1.00 70.21 C ATOM 815 O LYS A 54 21.590 4.171 -17.941 1.00 22.41 O ATOM 816 CB LYS A 54 22.034 1.590 -16.805 1.00 14.13 C ATOM 817 CG LYS A 54 20.817 1.195 -17.625 1.00 4.34 C ATOM 818 CD LYS A 54 19.874 0.308 -16.830 1.00 73.14 C ATOM 819 CE LYS A 54 20.137 -1.166 -17.098 1.00 23.12 C ATOM 820 NZ LYS A 54 20.356 -1.928 -15.837 1.00 71.11 N ATOM 0 H LYS A 54 19.987 2.695 -14.944 1.00 23.52 H new ATOM 0 HA LYS A 54 22.782 3.198 -15.590 1.00 23.32 H new ATOM 0 HB2 LYS A 54 22.876 1.757 -17.477 1.00 14.13 H new ATOM 0 HB3 LYS A 54 22.307 0.761 -16.152 1.00 14.13 H new ATOM 0 HG2 LYS A 54 20.288 2.092 -17.949 1.00 4.34 H new ATOM 0 HG3 LYS A 54 21.138 0.672 -18.526 1.00 4.34 H new ATOM 0 HD2 LYS A 54 19.991 0.512 -15.766 1.00 73.14 H new ATOM 0 HD3 LYS A 54 18.843 0.548 -17.089 1.00 73.14 H new ATOM 0 HE2 LYS A 54 19.292 -1.593 -17.639 1.00 23.12 H new ATOM 0 HE3 LYS A 54 21.011 -1.268 -17.741 1.00 23.12 H new ATOM 0 HZ1 LYS A 54 21.175 -2.558 -15.950 1.00 71.11 H new ATOM 0 HZ2 LYS A 54 20.535 -1.264 -15.057 1.00 71.11 H new ATOM 0 HZ3 LYS A 54 19.511 -2.494 -15.622 1.00 71.11 H new ATOM 834 N ASN A 55 20.196 4.625 -16.235 1.00 72.03 N ATOM 835 CA ASN A 55 19.510 5.702 -16.939 1.00 54.41 C ATOM 836 C ASN A 55 18.429 6.325 -16.060 1.00 61.10 C ATOM 837 O ASN A 55 17.387 6.756 -16.551 1.00 35.41 O ATOM 838 CB ASN A 55 18.889 5.178 -18.236 1.00 12.43 C ATOM 839 CG ASN A 55 18.729 6.266 -19.281 1.00 30.42 C ATOM 840 OD1 ASN A 55 19.006 7.437 -19.021 1.00 75.14 O ATOM 841 ND2 ASN A 55 18.280 5.881 -20.470 1.00 43.41 N ATOM 0 H ASN A 55 19.850 4.450 -15.291 1.00 72.03 H new ATOM 0 HA ASN A 55 20.245 6.470 -17.180 1.00 54.41 H new ATOM 0 HB2 ASN A 55 19.514 4.380 -18.638 1.00 12.43 H new ATOM 0 HB3 ASN A 55 17.915 4.741 -18.018 1.00 12.43 H new ATOM 0 HD21 ASN A 55 18.152 6.567 -21.213 1.00 43.41 H new ATOM 0 HD22 ASN A 55 18.063 4.899 -20.640 1.00 43.41 H new ATOM 848 N GLY A 56 18.687 6.369 -14.756 1.00 41.03 N ATOM 849 CA GLY A 56 17.728 6.941 -13.829 1.00 70.24 C ATOM 850 C GLY A 56 16.719 5.922 -13.337 1.00 41.22 C ATOM 851 O GLY A 56 16.043 6.144 -12.332 1.00 62.53 O ATOM 0 H GLY A 56 19.543 6.019 -14.325 1.00 41.03 H new ATOM 0 HA2 GLY A 56 18.259 7.363 -12.976 1.00 70.24 H new ATOM 0 HA3 GLY A 56 17.202 7.763 -14.316 1.00 70.24 H new ATOM 855 N ARG A 57 16.615 4.804 -14.047 1.00 64.53 N ATOM 856 CA ARG A 57 15.679 3.748 -13.678 1.00 44.54 C ATOM 857 C ARG A 57 16.334 2.375 -13.795 1.00 43.24 C ATOM 858 O ARG A 57 17.415 2.239 -14.369 1.00 51.11 O ATOM 859 CB ARG A 57 14.434 3.809 -14.565 1.00 65.25 C ATOM 860 CG ARG A 57 14.055 5.219 -14.987 1.00 70.13 C ATOM 861 CD ARG A 57 14.325 5.450 -16.466 1.00 34.40 C ATOM 862 NE ARG A 57 13.393 6.411 -17.049 1.00 15.02 N ATOM 863 CZ ARG A 57 13.303 6.650 -18.352 1.00 74.14 C ATOM 864 NH1 ARG A 57 14.084 6.000 -19.204 1.00 50.52 N ATOM 865 NH2 ARG A 57 12.429 7.540 -18.806 1.00 63.14 N ATOM 0 H ARG A 57 17.167 4.605 -14.881 1.00 64.53 H new ATOM 0 HA ARG A 57 15.385 3.903 -12.640 1.00 44.54 H new ATOM 0 HB2 ARG A 57 14.604 3.205 -15.457 1.00 65.25 H new ATOM 0 HB3 ARG A 57 13.596 3.361 -14.031 1.00 65.25 H new ATOM 0 HG2 ARG A 57 12.999 5.391 -14.778 1.00 70.13 H new ATOM 0 HG3 ARG A 57 14.619 5.941 -14.396 1.00 70.13 H new ATOM 0 HD2 ARG A 57 15.346 5.810 -16.596 1.00 34.40 H new ATOM 0 HD3 ARG A 57 14.251 4.503 -17.000 1.00 34.40 H new ATOM 0 HE ARG A 57 12.777 6.927 -16.421 1.00 15.02 H new ATOM 0 HH11 ARG A 57 14.756 5.315 -18.859 1.00 50.52 H new ATOM 0 HH12 ARG A 57 14.013 6.185 -20.204 1.00 50.52 H new ATOM 0 HH21 ARG A 57 11.826 8.041 -18.154 1.00 63.14 H new ATOM 0 HH22 ARG A 57 12.361 7.723 -19.807 1.00 63.14 H new ATOM 879 N TRP A 58 15.673 1.362 -13.248 1.00 22.02 N ATOM 880 CA TRP A 58 16.192 -0.001 -13.290 1.00 54.33 C ATOM 881 C TRP A 58 15.653 -0.750 -14.504 1.00 32.43 C ATOM 882 O TRP A 58 14.579 -1.350 -14.447 1.00 71.22 O ATOM 883 CB TRP A 58 15.823 -0.749 -12.008 1.00 50.31 C ATOM 884 CG TRP A 58 16.069 0.049 -10.763 1.00 41.03 C ATOM 885 CD1 TRP A 58 15.320 1.091 -10.296 1.00 42.23 C ATOM 886 CD2 TRP A 58 17.139 -0.130 -9.828 1.00 54.34 C ATOM 887 NE1 TRP A 58 15.860 1.571 -9.127 1.00 52.13 N ATOM 888 CE2 TRP A 58 16.975 0.839 -8.818 1.00 62.44 C ATOM 889 CE3 TRP A 58 18.217 -1.015 -9.745 1.00 11.41 C ATOM 890 CZ2 TRP A 58 17.851 0.945 -7.741 1.00 40.34 C ATOM 891 CZ3 TRP A 58 19.085 -0.907 -8.675 1.00 64.14 C ATOM 892 CH2 TRP A 58 18.898 0.066 -7.685 1.00 2.21 C ATOM 0 H TRP A 58 14.777 1.458 -12.770 1.00 22.02 H new ATOM 0 HA TRP A 58 17.278 0.052 -13.371 1.00 54.33 H new ATOM 0 HB2 TRP A 58 14.770 -1.029 -12.049 1.00 50.31 H new ATOM 0 HB3 TRP A 58 16.397 -1.674 -11.957 1.00 50.31 H new ATOM 0 HD1 TRP A 58 14.434 1.480 -10.775 1.00 42.23 H new ATOM 0 HE1 TRP A 58 15.490 2.347 -8.578 1.00 52.13 H new ATOM 0 HE3 TRP A 58 18.369 -1.769 -10.503 1.00 11.41 H new ATOM 0 HZ2 TRP A 58 17.709 1.695 -6.977 1.00 40.34 H new ATOM 0 HZ3 TRP A 58 19.922 -1.585 -8.601 1.00 64.14 H new ATOM 0 HH2 TRP A 58 19.594 0.124 -6.861 1.00 2.21 H new ATOM 903 N ILE A 59 16.404 -0.713 -15.599 1.00 4.42 N ATOM 904 CA ILE A 59 16.002 -1.390 -16.825 1.00 35.22 C ATOM 905 C ILE A 59 16.645 -2.769 -16.928 1.00 1.20 C ATOM 906 O ILE A 59 17.823 -2.941 -16.614 1.00 31.15 O ATOM 907 CB ILE A 59 16.375 -0.567 -18.072 1.00 21.12 C ATOM 908 CG1 ILE A 59 15.945 0.891 -17.895 1.00 75.54 C ATOM 909 CG2 ILE A 59 15.735 -1.168 -19.314 1.00 53.43 C ATOM 910 CD1 ILE A 59 16.713 1.858 -18.768 1.00 64.41 C ATOM 0 H ILE A 59 17.295 -0.221 -15.662 1.00 4.42 H new ATOM 0 HA ILE A 59 14.918 -1.499 -16.784 1.00 35.22 H new ATOM 0 HB ILE A 59 17.458 -0.594 -18.197 1.00 21.12 H new ATOM 0 HG12 ILE A 59 14.882 0.977 -18.119 1.00 75.54 H new ATOM 0 HG13 ILE A 59 16.075 1.175 -16.851 1.00 75.54 H new ATOM 0 HG21 ILE A 59 16.008 -0.575 -20.187 1.00 53.43 H new ATOM 0 HG22 ILE A 59 16.087 -2.191 -19.446 1.00 53.43 H new ATOM 0 HG23 ILE A 59 14.651 -1.169 -19.201 1.00 53.43 H new ATOM 0 HD11 ILE A 59 16.355 2.872 -18.590 1.00 64.41 H new ATOM 0 HD12 ILE A 59 17.775 1.800 -18.528 1.00 64.41 H new ATOM 0 HD13 ILE A 59 16.563 1.600 -19.816 1.00 64.41 H new ATOM 922 N PHE A 60 15.865 -3.748 -17.372 1.00 74.33 N ATOM 923 CA PHE A 60 16.358 -5.113 -17.518 1.00 43.42 C ATOM 924 C PHE A 60 16.096 -5.638 -18.926 1.00 72.34 C ATOM 925 O PHE A 60 15.114 -5.263 -19.567 1.00 72.34 O ATOM 926 CB PHE A 60 15.697 -6.030 -16.488 1.00 13.03 C ATOM 927 CG PHE A 60 15.791 -7.488 -16.835 1.00 71.22 C ATOM 928 CD1 PHE A 60 14.862 -8.074 -17.680 1.00 50.11 C ATOM 929 CD2 PHE A 60 16.809 -8.273 -16.317 1.00 54.04 C ATOM 930 CE1 PHE A 60 14.946 -9.416 -18.001 1.00 1.33 C ATOM 931 CE2 PHE A 60 16.898 -9.615 -16.635 1.00 20.31 C ATOM 932 CZ PHE A 60 15.966 -10.187 -17.479 1.00 30.05 C ATOM 0 H PHE A 60 14.888 -3.622 -17.637 1.00 74.33 H new ATOM 0 HA PHE A 60 17.434 -5.104 -17.347 1.00 43.42 H new ATOM 0 HB2 PHE A 60 16.162 -5.866 -15.516 1.00 13.03 H new ATOM 0 HB3 PHE A 60 14.647 -5.755 -16.390 1.00 13.03 H new ATOM 0 HD1 PHE A 60 14.063 -7.475 -18.092 1.00 50.11 H new ATOM 0 HD2 PHE A 60 17.541 -7.831 -15.657 1.00 54.04 H new ATOM 0 HE1 PHE A 60 14.215 -9.861 -18.659 1.00 1.33 H new ATOM 0 HE2 PHE A 60 17.696 -10.216 -16.224 1.00 20.31 H new ATOM 0 HZ PHE A 60 16.035 -11.235 -17.730 1.00 30.05 H new ATOM 942 N ARG A 61 16.981 -6.508 -19.401 1.00 60.34 N ATOM 943 CA ARG A 61 16.847 -7.084 -20.734 1.00 31.51 C ATOM 944 C ARG A 61 17.280 -8.548 -20.740 1.00 0.43 C ATOM 945 O ARG A 61 18.312 -8.902 -20.170 1.00 63.00 O ATOM 946 CB ARG A 61 17.680 -6.291 -21.742 1.00 51.11 C ATOM 947 CG ARG A 61 17.327 -4.814 -21.795 1.00 54.52 C ATOM 948 CD ARG A 61 18.185 -4.001 -20.839 1.00 45.30 C ATOM 949 NE ARG A 61 18.599 -2.727 -21.422 1.00 72.24 N ATOM 950 CZ ARG A 61 19.641 -2.595 -22.236 1.00 34.31 C ATOM 951 NH1 ARG A 61 20.370 -3.653 -22.561 1.00 23.40 N ATOM 952 NH2 ARG A 61 19.954 -1.403 -22.727 1.00 12.14 N ATOM 0 H ARG A 61 17.799 -6.830 -18.883 1.00 60.34 H new ATOM 0 HA ARG A 61 15.797 -7.032 -21.021 1.00 31.51 H new ATOM 0 HB2 ARG A 61 18.735 -6.395 -21.490 1.00 51.11 H new ATOM 0 HB3 ARG A 61 17.545 -6.724 -22.733 1.00 51.11 H new ATOM 0 HG2 ARG A 61 17.461 -4.443 -22.811 1.00 54.52 H new ATOM 0 HG3 ARG A 61 16.275 -4.681 -21.544 1.00 54.52 H new ATOM 0 HD2 ARG A 61 17.628 -3.815 -19.921 1.00 45.30 H new ATOM 0 HD3 ARG A 61 19.068 -4.578 -20.565 1.00 45.30 H new ATOM 0 HE ARG A 61 18.059 -1.893 -21.192 1.00 72.24 H new ATOM 0 HH11 ARG A 61 20.132 -4.571 -22.186 1.00 23.40 H new ATOM 0 HH12 ARG A 61 21.169 -3.549 -23.186 1.00 23.40 H new ATOM 0 HH21 ARG A 61 19.395 -0.587 -22.480 1.00 12.14 H new ATOM 0 HH22 ARG A 61 20.754 -1.303 -23.352 1.00 12.14 H new ATOM 966 N ASP A 62 16.484 -9.392 -21.386 1.00 63.14 N ATOM 967 CA ASP A 62 16.785 -10.817 -21.467 1.00 43.30 C ATOM 968 C ASP A 62 17.094 -11.226 -22.904 1.00 22.44 C ATOM 969 O ASP A 62 17.022 -10.409 -23.822 1.00 31.43 O ATOM 970 CB ASP A 62 15.613 -11.639 -20.930 1.00 55.31 C ATOM 971 CG ASP A 62 16.054 -12.969 -20.353 1.00 62.32 C ATOM 972 OD1 ASP A 62 16.681 -12.969 -19.273 1.00 21.31 O ATOM 973 OD2 ASP A 62 15.772 -14.011 -20.982 1.00 2.24 O ATOM 0 H ASP A 62 15.625 -9.115 -21.861 1.00 63.14 H new ATOM 0 HA ASP A 62 17.666 -11.013 -20.855 1.00 43.30 H new ATOM 0 HB2 ASP A 62 15.094 -11.067 -20.161 1.00 55.31 H new ATOM 0 HB3 ASP A 62 14.898 -11.814 -21.734 1.00 55.31 H new ATOM 978 N ARG A 63 17.440 -12.496 -23.090 1.00 73.12 N ATOM 979 CA ARG A 63 17.762 -13.013 -24.415 1.00 21.55 C ATOM 980 C ARG A 63 17.269 -14.449 -24.572 1.00 40.13 C ATOM 981 O ARG A 63 17.630 -15.138 -25.525 1.00 23.42 O ATOM 982 CB ARG A 63 19.271 -12.952 -24.656 1.00 4.00 C ATOM 983 CG ARG A 63 20.051 -14.023 -23.911 1.00 65.14 C ATOM 984 CD ARG A 63 21.389 -13.496 -23.417 1.00 2.43 C ATOM 985 NE ARG A 63 22.514 -14.221 -24.001 1.00 73.14 N ATOM 986 CZ ARG A 63 23.775 -13.812 -23.919 1.00 52.01 C ATOM 987 NH1 ARG A 63 24.071 -12.689 -23.279 1.00 54.14 N ATOM 988 NH2 ARG A 63 24.743 -14.527 -24.477 1.00 64.11 N ATOM 0 H ARG A 63 17.504 -13.185 -22.341 1.00 73.12 H new ATOM 0 HA ARG A 63 17.257 -12.390 -25.154 1.00 21.55 H new ATOM 0 HB2 ARG A 63 19.464 -13.051 -25.724 1.00 4.00 H new ATOM 0 HB3 ARG A 63 19.639 -11.971 -24.355 1.00 4.00 H new ATOM 0 HG2 ARG A 63 19.464 -14.379 -23.064 1.00 65.14 H new ATOM 0 HG3 ARG A 63 20.215 -14.878 -24.567 1.00 65.14 H new ATOM 0 HD2 ARG A 63 21.474 -12.437 -23.662 1.00 2.43 H new ATOM 0 HD3 ARG A 63 21.431 -13.576 -22.331 1.00 2.43 H new ATOM 0 HE ARG A 63 22.321 -15.090 -24.500 1.00 73.14 H new ATOM 0 HH11 ARG A 63 23.329 -12.137 -22.848 1.00 54.14 H new ATOM 0 HH12 ARG A 63 25.040 -12.377 -23.218 1.00 54.14 H new ATOM 0 HH21 ARG A 63 24.519 -15.392 -24.970 1.00 64.11 H new ATOM 0 HH22 ARG A 63 25.711 -14.212 -24.414 1.00 64.11 H new ATOM 1002 N ASN A 64 16.442 -14.892 -23.631 1.00 1.12 N ATOM 1003 CA ASN A 64 15.900 -16.245 -23.665 1.00 22.53 C ATOM 1004 C ASN A 64 14.378 -16.225 -23.568 1.00 53.44 C ATOM 1005 O ASN A 64 13.737 -17.271 -23.477 1.00 21.25 O ATOM 1006 CB ASN A 64 16.483 -17.079 -22.522 1.00 22.31 C ATOM 1007 CG ASN A 64 17.877 -16.628 -22.130 1.00 21.31 C ATOM 1008 OD1 ASN A 64 18.802 -16.656 -22.942 1.00 71.20 O ATOM 1009 ND2 ASN A 64 18.034 -16.210 -20.879 1.00 54.03 N ATOM 0 H ASN A 64 16.133 -14.334 -22.835 1.00 1.12 H new ATOM 0 HA ASN A 64 16.180 -16.697 -24.617 1.00 22.53 H new ATOM 0 HB2 ASN A 64 15.825 -17.013 -21.655 1.00 22.31 H new ATOM 0 HB3 ASN A 64 16.513 -18.127 -22.819 1.00 22.31 H new ATOM 0 HD21 ASN A 64 18.949 -15.895 -20.558 1.00 54.03 H new ATOM 0 HD22 ASN A 64 17.239 -16.204 -20.240 1.00 54.03 H new ATOM 1016 N ALA A 65 13.805 -15.025 -23.591 1.00 23.41 N ATOM 1017 CA ALA A 65 12.359 -14.868 -23.509 1.00 54.20 C ATOM 1018 C ALA A 65 11.736 -14.784 -24.899 1.00 31.35 C ATOM 1019 O ALA A 65 11.790 -13.743 -25.552 1.00 0.34 O ATOM 1020 CB ALA A 65 12.008 -13.631 -22.696 1.00 54.40 C ATOM 0 H ALA A 65 14.321 -14.148 -23.666 1.00 23.41 H new ATOM 0 HA ALA A 65 11.951 -15.746 -23.009 1.00 54.20 H new ATOM 0 HB1 ALA A 65 10.924 -13.526 -22.643 1.00 54.40 H new ATOM 0 HB2 ALA A 65 12.413 -13.731 -21.689 1.00 54.40 H new ATOM 0 HB3 ALA A 65 12.435 -12.749 -23.173 1.00 54.40 H new ATOM 1026 N ALA A 66 11.146 -15.888 -25.345 1.00 33.33 N ATOM 1027 CA ALA A 66 10.512 -15.939 -26.656 1.00 53.13 C ATOM 1028 C ALA A 66 9.000 -15.776 -26.542 1.00 31.11 C ATOM 1029 O ALA A 66 8.263 -16.760 -26.463 1.00 63.21 O ATOM 1030 CB ALA A 66 10.852 -17.246 -27.357 1.00 43.30 C ATOM 0 H ALA A 66 11.094 -16.759 -24.817 1.00 33.33 H new ATOM 0 HA ALA A 66 10.897 -15.110 -27.250 1.00 53.13 H new ATOM 0 HB1 ALA A 66 10.372 -17.270 -28.335 1.00 43.30 H new ATOM 0 HB2 ALA A 66 11.932 -17.322 -27.481 1.00 43.30 H new ATOM 0 HB3 ALA A 66 10.496 -18.084 -26.757 1.00 43.30 H new ATOM 1036 N LEU A 67 8.543 -14.529 -26.533 1.00 10.24 N ATOM 1037 CA LEU A 67 7.118 -14.237 -26.427 1.00 55.21 C ATOM 1038 C LEU A 67 6.718 -13.121 -27.387 1.00 12.54 C ATOM 1039 O LEU A 67 7.571 -12.473 -27.994 1.00 23.42 O ATOM 1040 CB LEU A 67 6.762 -13.843 -24.992 1.00 64.12 C ATOM 1041 CG LEU A 67 7.007 -12.381 -24.617 1.00 63.12 C ATOM 1042 CD1 LEU A 67 8.405 -11.950 -25.034 1.00 20.23 C ATOM 1043 CD2 LEU A 67 5.958 -11.484 -25.256 1.00 52.53 C ATOM 0 H LEU A 67 9.139 -13.704 -26.598 1.00 10.24 H new ATOM 0 HA LEU A 67 6.567 -15.138 -26.696 1.00 55.21 H new ATOM 0 HB2 LEU A 67 5.709 -14.068 -24.825 1.00 64.12 H new ATOM 0 HB3 LEU A 67 7.334 -14.473 -24.311 1.00 64.12 H new ATOM 0 HG LEU A 67 6.927 -12.285 -23.534 1.00 63.12 H new ATOM 0 HD11 LEU A 67 8.561 -10.907 -24.759 1.00 20.23 H new ATOM 0 HD12 LEU A 67 9.143 -12.573 -24.529 1.00 20.23 H new ATOM 0 HD13 LEU A 67 8.513 -12.061 -26.113 1.00 20.23 H new ATOM 0 HD21 LEU A 67 6.148 -10.447 -24.978 1.00 52.53 H new ATOM 0 HD22 LEU A 67 6.006 -11.584 -26.340 1.00 52.53 H new ATOM 0 HD23 LEU A 67 4.968 -11.777 -24.908 1.00 52.53 H new ATOM 1055 N LYS A 68 5.414 -12.898 -27.517 1.00 64.22 N ATOM 1056 CA LYS A 68 4.900 -11.858 -28.400 1.00 12.23 C ATOM 1057 C LYS A 68 3.525 -11.385 -27.939 1.00 53.22 C ATOM 1058 O LYS A 68 2.821 -12.098 -27.223 1.00 52.50 O ATOM 1059 CB LYS A 68 4.818 -12.375 -29.838 1.00 11.42 C ATOM 1060 CG LYS A 68 4.107 -13.711 -29.964 1.00 40.13 C ATOM 1061 CD LYS A 68 5.059 -14.873 -29.734 1.00 53.12 C ATOM 1062 CE LYS A 68 4.373 -16.210 -29.970 1.00 43.03 C ATOM 1063 NZ LYS A 68 4.831 -17.246 -29.004 1.00 65.41 N ATOM 0 H LYS A 68 4.694 -13.424 -27.022 1.00 64.22 H new ATOM 0 HA LYS A 68 5.587 -11.013 -28.364 1.00 12.23 H new ATOM 0 HB2 LYS A 68 4.300 -11.638 -30.451 1.00 11.42 H new ATOM 0 HB3 LYS A 68 5.827 -12.471 -30.239 1.00 11.42 H new ATOM 0 HG2 LYS A 68 3.291 -13.760 -29.243 1.00 40.13 H new ATOM 0 HG3 LYS A 68 3.661 -13.795 -30.955 1.00 40.13 H new ATOM 0 HD2 LYS A 68 5.916 -14.780 -30.401 1.00 53.12 H new ATOM 0 HD3 LYS A 68 5.442 -14.834 -28.714 1.00 53.12 H new ATOM 0 HE2 LYS A 68 3.294 -16.085 -29.884 1.00 43.03 H new ATOM 0 HE3 LYS A 68 4.574 -16.547 -30.987 1.00 43.03 H new ATOM 0 HZ1 LYS A 68 4.340 -18.142 -29.198 1.00 65.41 H new ATOM 0 HZ2 LYS A 68 5.857 -17.384 -29.104 1.00 65.41 H new ATOM 0 HZ3 LYS A 68 4.616 -16.936 -28.035 1.00 65.41 H new ATOM 1077 N ILE A 69 3.148 -10.181 -28.356 1.00 2.43 N ATOM 1078 CA ILE A 69 1.856 -9.615 -27.988 1.00 3.14 C ATOM 1079 C ILE A 69 0.809 -10.708 -27.805 1.00 62.33 C ATOM 1080 O ILE A 69 0.572 -11.511 -28.707 1.00 34.34 O ATOM 1081 CB ILE A 69 1.358 -8.614 -29.046 1.00 52.35 C ATOM 1082 CG1 ILE A 69 2.295 -7.407 -29.120 1.00 3.30 C ATOM 1083 CG2 ILE A 69 -0.062 -8.170 -28.729 1.00 12.24 C ATOM 1084 CD1 ILE A 69 2.076 -6.403 -28.009 1.00 64.25 C ATOM 0 H ILE A 69 3.719 -9.579 -28.949 1.00 2.43 H new ATOM 0 HA ILE A 69 1.999 -9.091 -27.043 1.00 3.14 H new ATOM 0 HB ILE A 69 1.355 -9.108 -30.018 1.00 52.35 H new ATOM 0 HG12 ILE A 69 3.327 -7.756 -29.085 1.00 3.30 H new ATOM 0 HG13 ILE A 69 2.159 -6.910 -30.080 1.00 3.30 H new ATOM 0 HG21 ILE A 69 -0.400 -7.462 -29.486 1.00 12.24 H new ATOM 0 HG22 ILE A 69 -0.722 -9.038 -28.723 1.00 12.24 H new ATOM 0 HG23 ILE A 69 -0.084 -7.691 -27.750 1.00 12.24 H new ATOM 0 HD11 ILE A 69 2.775 -5.574 -28.125 1.00 64.25 H new ATOM 0 HD12 ILE A 69 1.054 -6.026 -28.056 1.00 64.25 H new ATOM 0 HD13 ILE A 69 2.241 -6.885 -27.045 1.00 64.25 H new ATOM 1096 N GLY A 70 0.184 -10.732 -26.632 1.00 52.11 N ATOM 1097 CA GLY A 70 -0.832 -11.730 -26.353 1.00 53.20 C ATOM 1098 C GLY A 70 -0.447 -12.646 -25.208 1.00 44.35 C ATOM 1099 O GLY A 70 -1.310 -13.148 -24.489 1.00 2.04 O ATOM 0 H GLY A 70 0.363 -10.078 -25.870 1.00 52.11 H new ATOM 0 HA2 GLY A 70 -1.771 -11.231 -26.115 1.00 53.20 H new ATOM 0 HA3 GLY A 70 -1.006 -12.327 -27.248 1.00 53.20 H new ATOM 1103 N ASP A 71 0.853 -12.865 -25.041 1.00 12.04 N ATOM 1104 CA ASP A 71 1.351 -13.728 -23.976 1.00 3.54 C ATOM 1105 C ASP A 71 1.004 -13.155 -22.605 1.00 51.20 C ATOM 1106 O ASP A 71 0.255 -12.184 -22.497 1.00 52.45 O ATOM 1107 CB ASP A 71 2.865 -13.904 -24.100 1.00 5.34 C ATOM 1108 CG ASP A 71 3.249 -15.287 -24.586 1.00 24.42 C ATOM 1109 OD1 ASP A 71 2.802 -15.675 -25.685 1.00 51.22 O ATOM 1110 OD2 ASP A 71 3.997 -15.983 -23.867 1.00 32.35 O ATOM 0 H ASP A 71 1.580 -12.457 -25.629 1.00 12.04 H new ATOM 0 HA ASP A 71 0.870 -14.701 -24.076 1.00 3.54 H new ATOM 0 HB2 ASP A 71 3.259 -13.157 -24.789 1.00 5.34 H new ATOM 0 HB3 ASP A 71 3.330 -13.720 -23.131 1.00 5.34 H new ATOM 1115 N LYS A 72 1.552 -13.763 -21.559 1.00 23.31 N ATOM 1116 CA LYS A 72 1.302 -13.315 -20.194 1.00 74.03 C ATOM 1117 C LYS A 72 2.499 -13.610 -19.296 1.00 53.01 C ATOM 1118 O LYS A 72 3.326 -14.467 -19.610 1.00 53.52 O ATOM 1119 CB LYS A 72 0.050 -13.995 -19.634 1.00 3.00 C ATOM 1120 CG LYS A 72 -1.243 -13.288 -20.002 1.00 44.10 C ATOM 1121 CD LYS A 72 -2.139 -14.172 -20.852 1.00 35.42 C ATOM 1122 CE LYS A 72 -3.377 -13.423 -21.322 1.00 63.23 C ATOM 1123 NZ LYS A 72 -4.464 -14.353 -21.737 1.00 1.34 N ATOM 0 H LYS A 72 2.173 -14.569 -21.630 1.00 23.31 H new ATOM 0 HA LYS A 72 1.144 -12.237 -20.215 1.00 74.03 H new ATOM 0 HB2 LYS A 72 0.010 -15.021 -20.000 1.00 3.00 H new ATOM 0 HB3 LYS A 72 0.130 -14.046 -18.548 1.00 3.00 H new ATOM 0 HG2 LYS A 72 -1.772 -12.999 -19.094 1.00 44.10 H new ATOM 0 HG3 LYS A 72 -1.015 -12.370 -20.544 1.00 44.10 H new ATOM 0 HD2 LYS A 72 -1.581 -14.533 -21.716 1.00 35.42 H new ATOM 0 HD3 LYS A 72 -2.439 -15.048 -20.277 1.00 35.42 H new ATOM 0 HE2 LYS A 72 -3.737 -12.778 -20.521 1.00 63.23 H new ATOM 0 HE3 LYS A 72 -3.114 -12.776 -22.158 1.00 63.23 H new ATOM 0 HZ1 LYS A 72 -5.290 -13.804 -22.050 1.00 1.34 H new ATOM 0 HZ2 LYS A 72 -4.129 -14.952 -22.519 1.00 1.34 H new ATOM 0 HZ3 LYS A 72 -4.733 -14.954 -20.932 1.00 1.34 H new ATOM 1137 N ILE A 73 2.584 -12.897 -18.178 1.00 53.12 N ATOM 1138 CA ILE A 73 3.678 -13.085 -17.234 1.00 42.12 C ATOM 1139 C ILE A 73 3.159 -13.185 -15.804 1.00 4.23 C ATOM 1140 O ILE A 73 2.160 -12.559 -15.450 1.00 1.44 O ATOM 1141 CB ILE A 73 4.699 -11.935 -17.319 1.00 52.50 C ATOM 1142 CG1 ILE A 73 5.383 -11.930 -18.688 1.00 32.43 C ATOM 1143 CG2 ILE A 73 5.729 -12.057 -16.206 1.00 70.33 C ATOM 1144 CD1 ILE A 73 6.265 -10.723 -18.919 1.00 32.43 C ATOM 0 H ILE A 73 1.908 -12.184 -17.904 1.00 53.12 H new ATOM 0 HA ILE A 73 4.171 -14.018 -17.505 1.00 42.12 H new ATOM 0 HB ILE A 73 4.170 -10.990 -17.195 1.00 52.50 H new ATOM 0 HG12 ILE A 73 5.984 -12.834 -18.788 1.00 32.43 H new ATOM 0 HG13 ILE A 73 4.621 -11.967 -19.466 1.00 32.43 H new ATOM 0 HG21 ILE A 73 6.443 -11.237 -16.280 1.00 70.33 H new ATOM 0 HG22 ILE A 73 5.227 -12.015 -15.239 1.00 70.33 H new ATOM 0 HG23 ILE A 73 6.256 -13.007 -16.300 1.00 70.33 H new ATOM 0 HD11 ILE A 73 6.717 -10.787 -19.909 1.00 32.43 H new ATOM 0 HD12 ILE A 73 5.665 -9.816 -18.852 1.00 32.43 H new ATOM 0 HD13 ILE A 73 7.050 -10.696 -18.163 1.00 32.43 H new ATOM 1156 N TYR A 74 3.846 -13.974 -14.985 1.00 73.43 N ATOM 1157 CA TYR A 74 3.454 -14.157 -13.593 1.00 21.03 C ATOM 1158 C TYR A 74 4.674 -14.414 -12.713 1.00 72.41 C ATOM 1159 O TYR A 74 5.224 -15.516 -12.701 1.00 15.04 O ATOM 1160 CB TYR A 74 2.466 -15.318 -13.467 1.00 25.32 C ATOM 1161 CG TYR A 74 1.598 -15.510 -14.690 1.00 24.22 C ATOM 1162 CD1 TYR A 74 2.017 -16.311 -15.745 1.00 23.21 C ATOM 1163 CD2 TYR A 74 0.358 -14.891 -14.790 1.00 4.03 C ATOM 1164 CE1 TYR A 74 1.228 -16.489 -16.864 1.00 53.43 C ATOM 1165 CE2 TYR A 74 -0.439 -15.064 -15.905 1.00 5.22 C ATOM 1166 CZ TYR A 74 0.001 -15.863 -16.940 1.00 33.14 C ATOM 1167 OH TYR A 74 -0.789 -16.038 -18.052 1.00 75.45 O ATOM 0 H TYR A 74 4.677 -14.497 -15.261 1.00 73.43 H new ATOM 0 HA TYR A 74 2.971 -13.240 -13.255 1.00 21.03 H new ATOM 0 HB2 TYR A 74 3.021 -16.237 -13.278 1.00 25.32 H new ATOM 0 HB3 TYR A 74 1.826 -15.147 -12.601 1.00 25.32 H new ATOM 0 HD1 TYR A 74 2.977 -16.803 -15.689 1.00 23.21 H new ATOM 0 HD2 TYR A 74 0.011 -14.264 -13.982 1.00 4.03 H new ATOM 0 HE1 TYR A 74 1.570 -17.115 -17.675 1.00 53.43 H new ATOM 0 HE2 TYR A 74 -1.401 -14.577 -15.966 1.00 5.22 H new ATOM 0 HH TYR A 74 -1.620 -15.530 -17.946 1.00 75.45 H new ATOM 1177 N PHE A 75 5.091 -13.389 -11.978 1.00 24.54 N ATOM 1178 CA PHE A 75 6.246 -13.503 -11.094 1.00 42.33 C ATOM 1179 C PHE A 75 6.257 -12.376 -10.066 1.00 13.34 C ATOM 1180 O PHE A 75 5.235 -11.735 -9.821 1.00 54.44 O ATOM 1181 CB PHE A 75 7.542 -13.478 -11.908 1.00 12.20 C ATOM 1182 CG PHE A 75 7.903 -12.112 -12.418 1.00 71.14 C ATOM 1183 CD1 PHE A 75 7.005 -11.383 -13.181 1.00 74.32 C ATOM 1184 CD2 PHE A 75 9.140 -11.557 -12.135 1.00 43.00 C ATOM 1185 CE1 PHE A 75 7.335 -10.127 -13.653 1.00 11.12 C ATOM 1186 CE2 PHE A 75 9.476 -10.301 -12.604 1.00 10.45 C ATOM 1187 CZ PHE A 75 8.572 -9.584 -13.363 1.00 35.34 C ATOM 0 H PHE A 75 4.647 -12.471 -11.976 1.00 24.54 H new ATOM 0 HA PHE A 75 6.175 -14.453 -10.565 1.00 42.33 H new ATOM 0 HB2 PHE A 75 8.357 -13.853 -11.290 1.00 12.20 H new ATOM 0 HB3 PHE A 75 7.444 -14.159 -12.754 1.00 12.20 H new ATOM 0 HD1 PHE A 75 6.036 -11.801 -13.409 1.00 74.32 H new ATOM 0 HD2 PHE A 75 9.851 -12.112 -11.541 1.00 43.00 H new ATOM 0 HE1 PHE A 75 6.627 -9.570 -14.248 1.00 11.12 H new ATOM 0 HE2 PHE A 75 10.445 -9.881 -12.377 1.00 10.45 H new ATOM 0 HZ PHE A 75 8.831 -8.601 -13.729 1.00 35.34 H new ATOM 1197 N TRP A 76 7.418 -12.141 -9.466 1.00 64.13 N ATOM 1198 CA TRP A 76 7.563 -11.092 -8.463 1.00 75.13 C ATOM 1199 C TRP A 76 8.983 -10.538 -8.456 1.00 11.25 C ATOM 1200 O TRP A 76 9.948 -11.271 -8.674 1.00 30.01 O ATOM 1201 CB TRP A 76 7.204 -11.631 -7.077 1.00 45.42 C ATOM 1202 CG TRP A 76 7.251 -13.126 -6.991 1.00 20.22 C ATOM 1203 CD1 TRP A 76 8.327 -13.929 -7.241 1.00 44.53 C ATOM 1204 CD2 TRP A 76 6.174 -13.998 -6.631 1.00 14.32 C ATOM 1205 NE1 TRP A 76 7.984 -15.246 -7.059 1.00 21.43 N ATOM 1206 CE2 TRP A 76 6.669 -15.316 -6.683 1.00 54.51 C ATOM 1207 CE3 TRP A 76 4.840 -13.793 -6.267 1.00 71.34 C ATOM 1208 CZ2 TRP A 76 5.875 -16.421 -6.387 1.00 2.42 C ATOM 1209 CZ3 TRP A 76 4.054 -14.891 -5.974 1.00 33.11 C ATOM 1210 CH2 TRP A 76 4.573 -16.191 -6.034 1.00 61.21 C ATOM 0 H TRP A 76 8.273 -12.663 -9.657 1.00 64.13 H new ATOM 0 HA TRP A 76 6.880 -10.282 -8.718 1.00 75.13 H new ATOM 0 HB2 TRP A 76 7.891 -11.210 -6.342 1.00 45.42 H new ATOM 0 HB3 TRP A 76 6.204 -11.290 -6.810 1.00 45.42 H new ATOM 0 HD1 TRP A 76 9.305 -13.579 -7.538 1.00 44.53 H new ATOM 0 HE1 TRP A 76 8.608 -16.043 -7.184 1.00 21.43 H new ATOM 0 HE3 TRP A 76 4.431 -12.795 -6.216 1.00 71.34 H new ATOM 0 HZ2 TRP A 76 6.273 -17.424 -6.434 1.00 2.42 H new ATOM 0 HZ3 TRP A 76 3.021 -14.745 -5.694 1.00 33.11 H new ATOM 0 HH2 TRP A 76 3.933 -17.028 -5.797 1.00 61.21 H new ATOM 1221 N THR A 77 9.105 -9.238 -8.202 1.00 63.44 N ATOM 1222 CA THR A 77 10.408 -8.586 -8.167 1.00 61.03 C ATOM 1223 C THR A 77 10.751 -8.118 -6.757 1.00 71.45 C ATOM 1224 O THR A 77 9.863 -7.822 -5.958 1.00 10.41 O ATOM 1225 CB THR A 77 10.458 -7.379 -9.123 1.00 12.24 C ATOM 1226 OG1 THR A 77 9.226 -6.652 -9.058 1.00 11.31 O ATOM 1227 CG2 THR A 77 10.711 -7.831 -10.553 1.00 3.41 C ATOM 0 H THR A 77 8.317 -8.617 -8.018 1.00 63.44 H new ATOM 0 HA THR A 77 11.141 -9.326 -8.489 1.00 61.03 H new ATOM 0 HB THR A 77 11.279 -6.732 -8.813 1.00 12.24 H new ATOM 0 HG1 THR A 77 9.266 -5.885 -9.667 1.00 11.31 H new ATOM 0 HG21 THR A 77 10.742 -6.961 -11.209 1.00 3.41 H new ATOM 0 HG22 THR A 77 11.663 -8.359 -10.605 1.00 3.41 H new ATOM 0 HG23 THR A 77 9.909 -8.497 -10.871 1.00 3.41 H new ATOM 1235 N PHE A 78 12.044 -8.054 -6.459 1.00 22.15 N ATOM 1236 CA PHE A 78 12.504 -7.622 -5.144 1.00 24.31 C ATOM 1237 C PHE A 78 13.367 -6.369 -5.254 1.00 43.34 C ATOM 1238 O PHE A 78 14.114 -6.199 -6.218 1.00 5.51 O ATOM 1239 CB PHE A 78 13.296 -8.742 -4.464 1.00 51.42 C ATOM 1240 CG PHE A 78 12.778 -9.099 -3.100 1.00 41.03 C ATOM 1241 CD1 PHE A 78 11.756 -10.022 -2.953 1.00 35.20 C ATOM 1242 CD2 PHE A 78 13.314 -8.511 -1.966 1.00 34.24 C ATOM 1243 CE1 PHE A 78 11.277 -10.354 -1.699 1.00 51.33 C ATOM 1244 CE2 PHE A 78 12.839 -8.839 -0.709 1.00 44.15 C ATOM 1245 CZ PHE A 78 11.819 -9.760 -0.576 1.00 60.32 C ATOM 0 H PHE A 78 12.792 -8.295 -7.109 1.00 22.15 H new ATOM 0 HA PHE A 78 11.628 -7.387 -4.540 1.00 24.31 H new ATOM 0 HB2 PHE A 78 13.272 -9.629 -5.097 1.00 51.42 H new ATOM 0 HB3 PHE A 78 14.340 -8.439 -4.380 1.00 51.42 H new ATOM 0 HD1 PHE A 78 11.328 -10.488 -3.828 1.00 35.20 H new ATOM 0 HD2 PHE A 78 14.111 -7.789 -2.064 1.00 34.24 H new ATOM 0 HE1 PHE A 78 10.481 -11.076 -1.598 1.00 51.33 H new ATOM 0 HE2 PHE A 78 13.266 -8.375 0.168 1.00 44.15 H new ATOM 0 HZ PHE A 78 11.446 -10.016 0.405 1.00 60.32 H new ATOM 1255 N VAL A 79 13.258 -5.493 -4.261 1.00 11.34 N ATOM 1256 CA VAL A 79 14.028 -4.255 -4.245 1.00 14.53 C ATOM 1257 C VAL A 79 14.438 -3.881 -2.825 1.00 2.12 C ATOM 1258 O VAL A 79 14.009 -4.511 -1.858 1.00 24.32 O ATOM 1259 CB VAL A 79 13.230 -3.090 -4.860 1.00 14.41 C ATOM 1260 CG1 VAL A 79 13.878 -2.623 -6.155 1.00 33.15 C ATOM 1261 CG2 VAL A 79 11.784 -3.500 -5.096 1.00 20.55 C ATOM 0 H VAL A 79 12.644 -5.618 -3.456 1.00 11.34 H new ATOM 0 HA VAL A 79 14.922 -4.430 -4.844 1.00 14.53 H new ATOM 0 HB VAL A 79 13.237 -2.257 -4.157 1.00 14.41 H new ATOM 0 HG11 VAL A 79 13.300 -1.800 -6.575 1.00 33.15 H new ATOM 0 HG12 VAL A 79 14.895 -2.287 -5.952 1.00 33.15 H new ATOM 0 HG13 VAL A 79 13.904 -3.448 -6.867 1.00 33.15 H new ATOM 0 HG21 VAL A 79 11.235 -2.665 -5.531 1.00 20.55 H new ATOM 0 HG22 VAL A 79 11.753 -4.349 -5.779 1.00 20.55 H new ATOM 0 HG23 VAL A 79 11.326 -3.781 -4.148 1.00 20.55 H new ATOM 1271 N ILE A 80 15.271 -2.852 -2.707 1.00 34.00 N ATOM 1272 CA ILE A 80 15.738 -2.393 -1.405 1.00 31.33 C ATOM 1273 C ILE A 80 15.980 -0.888 -1.407 1.00 4.23 C ATOM 1274 O ILE A 80 17.043 -0.419 -1.815 1.00 23.23 O ATOM 1275 CB ILE A 80 17.035 -3.110 -0.988 1.00 25.44 C ATOM 1276 CG1 ILE A 80 16.811 -4.623 -0.927 1.00 45.25 C ATOM 1277 CG2 ILE A 80 17.521 -2.588 0.356 1.00 1.41 C ATOM 1278 CD1 ILE A 80 18.081 -5.413 -0.702 1.00 23.24 C ATOM 0 H ILE A 80 15.636 -2.321 -3.497 1.00 34.00 H new ATOM 0 HA ILE A 80 14.954 -2.631 -0.686 1.00 31.33 H new ATOM 0 HB ILE A 80 17.802 -2.904 -1.735 1.00 25.44 H new ATOM 0 HG12 ILE A 80 16.107 -4.846 -0.125 1.00 45.25 H new ATOM 0 HG13 ILE A 80 16.348 -4.952 -1.858 1.00 45.25 H new ATOM 0 HG21 ILE A 80 18.439 -3.105 0.637 1.00 1.41 H new ATOM 0 HG22 ILE A 80 17.715 -1.518 0.282 1.00 1.41 H new ATOM 0 HG23 ILE A 80 16.758 -2.767 1.113 1.00 1.41 H new ATOM 0 HD11 ILE A 80 17.847 -6.477 -0.670 1.00 23.24 H new ATOM 0 HD12 ILE A 80 18.779 -5.220 -1.517 1.00 23.24 H new ATOM 0 HD13 ILE A 80 18.534 -5.112 0.243 1.00 23.24 H new ATOM 1290 N LYS A 81 14.988 -0.134 -0.946 1.00 40.21 N ATOM 1291 CA LYS A 81 15.093 1.320 -0.891 1.00 31.50 C ATOM 1292 C LYS A 81 15.108 1.809 0.553 1.00 5.44 C ATOM 1293 O LYS A 81 14.355 1.318 1.394 1.00 61.42 O ATOM 1294 CB LYS A 81 13.929 1.964 -1.647 1.00 11.41 C ATOM 1295 CG LYS A 81 13.861 3.473 -1.486 1.00 14.21 C ATOM 1296 CD LYS A 81 12.480 3.924 -1.039 1.00 42.41 C ATOM 1297 CE LYS A 81 12.329 5.435 -1.136 1.00 21.24 C ATOM 1298 NZ LYS A 81 11.016 5.825 -1.719 1.00 72.33 N ATOM 0 H LYS A 81 14.102 -0.506 -0.605 1.00 40.21 H new ATOM 0 HA LYS A 81 16.031 1.611 -1.364 1.00 31.50 H new ATOM 0 HB2 LYS A 81 14.017 1.723 -2.706 1.00 11.41 H new ATOM 0 HB3 LYS A 81 12.994 1.527 -1.298 1.00 11.41 H new ATOM 0 HG2 LYS A 81 14.604 3.796 -0.757 1.00 14.21 H new ATOM 0 HG3 LYS A 81 14.113 3.953 -2.432 1.00 14.21 H new ATOM 0 HD2 LYS A 81 11.721 3.441 -1.655 1.00 42.41 H new ATOM 0 HD3 LYS A 81 12.307 3.605 -0.011 1.00 42.41 H new ATOM 0 HE2 LYS A 81 12.431 5.874 -0.144 1.00 21.24 H new ATOM 0 HE3 LYS A 81 13.134 5.842 -1.749 1.00 21.24 H new ATOM 0 HZ1 LYS A 81 10.659 6.673 -1.234 1.00 72.33 H new ATOM 0 HZ2 LYS A 81 11.133 6.029 -2.732 1.00 72.33 H new ATOM 0 HZ3 LYS A 81 10.338 5.046 -1.599 1.00 72.33 H new ATOM 1312 N ASP A 82 15.970 2.781 0.834 1.00 14.14 N ATOM 1313 CA ASP A 82 16.081 3.339 2.177 1.00 41.50 C ATOM 1314 C ASP A 82 16.054 2.235 3.229 1.00 72.12 C ATOM 1315 O ASP A 82 15.454 2.390 4.291 1.00 15.34 O ATOM 1316 CB ASP A 82 14.948 4.334 2.434 1.00 1.14 C ATOM 1317 CG ASP A 82 15.389 5.773 2.254 1.00 1.40 C ATOM 1318 OD1 ASP A 82 16.570 6.072 2.532 1.00 35.05 O ATOM 1319 OD2 ASP A 82 14.554 6.601 1.834 1.00 61.04 O ATOM 0 H ASP A 82 16.601 3.198 0.150 1.00 14.14 H new ATOM 0 HA ASP A 82 17.035 3.860 2.249 1.00 41.50 H new ATOM 0 HB2 ASP A 82 14.122 4.123 1.755 1.00 1.14 H new ATOM 0 HB3 ASP A 82 14.571 4.197 3.447 1.00 1.14 H new ATOM 1324 N GLY A 83 16.708 1.118 2.924 1.00 33.11 N ATOM 1325 CA GLY A 83 16.745 0.003 3.853 1.00 52.33 C ATOM 1326 C GLY A 83 15.363 -0.403 4.326 1.00 4.03 C ATOM 1327 O GLY A 83 15.177 -0.756 5.492 1.00 42.42 O ATOM 0 H GLY A 83 17.213 0.965 2.051 1.00 33.11 H new ATOM 0 HA2 GLY A 83 17.227 -0.849 3.374 1.00 52.33 H new ATOM 0 HA3 GLY A 83 17.356 0.272 4.715 1.00 52.33 H new ATOM 1331 N LEU A 84 14.391 -0.352 3.422 1.00 23.53 N ATOM 1332 CA LEU A 84 13.018 -0.717 3.754 1.00 2.22 C ATOM 1333 C LEU A 84 12.697 -2.127 3.271 1.00 61.51 C ATOM 1334 O LEU A 84 12.241 -2.970 4.042 1.00 35.03 O ATOM 1335 CB LEU A 84 12.040 0.282 3.133 1.00 4.32 C ATOM 1336 CG LEU A 84 11.781 1.556 3.938 1.00 14.13 C ATOM 1337 CD1 LEU A 84 11.790 2.774 3.028 1.00 43.21 C ATOM 1338 CD2 LEU A 84 10.458 1.455 4.684 1.00 53.55 C ATOM 0 H LEU A 84 14.528 -0.062 2.454 1.00 23.53 H new ATOM 0 HA LEU A 84 12.914 -0.692 4.839 1.00 2.22 H new ATOM 0 HB2 LEU A 84 12.417 0.567 2.151 1.00 4.32 H new ATOM 0 HB3 LEU A 84 11.087 -0.223 2.974 1.00 4.32 H new ATOM 0 HG LEU A 84 12.581 1.669 4.670 1.00 14.13 H new ATOM 0 HD11 LEU A 84 11.604 3.671 3.619 1.00 43.21 H new ATOM 0 HD12 LEU A 84 12.761 2.856 2.540 1.00 43.21 H new ATOM 0 HD13 LEU A 84 11.011 2.669 2.272 1.00 43.21 H new ATOM 0 HD21 LEU A 84 10.290 2.370 5.252 1.00 53.55 H new ATOM 0 HD22 LEU A 84 9.647 1.317 3.969 1.00 53.55 H new ATOM 0 HD23 LEU A 84 10.489 0.605 5.366 1.00 53.55 H new ATOM 1350 N GLY A 85 12.941 -2.378 1.988 1.00 24.11 N ATOM 1351 CA GLY A 85 12.674 -3.688 1.424 1.00 23.54 C ATOM 1352 C GLY A 85 11.296 -3.781 0.801 1.00 70.34 C ATOM 1353 O GLY A 85 10.292 -3.871 1.507 1.00 12.34 O ATOM 0 H GLY A 85 13.319 -1.697 1.329 1.00 24.11 H new ATOM 0 HA2 GLY A 85 13.427 -3.915 0.669 1.00 23.54 H new ATOM 0 HA3 GLY A 85 12.768 -4.442 2.205 1.00 23.54 H new ATOM 1357 N TYR A 86 11.246 -3.758 -0.527 1.00 24.44 N ATOM 1358 CA TYR A 86 9.980 -3.837 -1.246 1.00 4.54 C ATOM 1359 C TYR A 86 9.992 -4.989 -2.245 1.00 72.03 C ATOM 1360 O TYR A 86 11.045 -5.546 -2.555 1.00 71.22 O ATOM 1361 CB TYR A 86 9.700 -2.520 -1.972 1.00 1.33 C ATOM 1362 CG TYR A 86 9.487 -1.348 -1.040 1.00 61.01 C ATOM 1363 CD1 TYR A 86 8.273 -1.165 -0.389 1.00 42.20 C ATOM 1364 CD2 TYR A 86 10.499 -0.424 -0.812 1.00 11.34 C ATOM 1365 CE1 TYR A 86 8.074 -0.095 0.463 1.00 73.45 C ATOM 1366 CE2 TYR A 86 10.309 0.648 0.039 1.00 33.34 C ATOM 1367 CZ TYR A 86 9.095 0.808 0.674 1.00 75.32 C ATOM 1368 OH TYR A 86 8.901 1.874 1.521 1.00 13.52 O ATOM 0 H TYR A 86 12.068 -3.685 -1.127 1.00 24.44 H new ATOM 0 HA TYR A 86 9.189 -4.019 -0.519 1.00 4.54 H new ATOM 0 HB2 TYR A 86 10.534 -2.297 -2.638 1.00 1.33 H new ATOM 0 HB3 TYR A 86 8.816 -2.641 -2.598 1.00 1.33 H new ATOM 0 HD1 TYR A 86 7.472 -1.871 -0.551 1.00 42.20 H new ATOM 0 HD2 TYR A 86 11.450 -0.546 -1.308 1.00 11.34 H new ATOM 0 HE1 TYR A 86 7.124 0.033 0.961 1.00 73.45 H new ATOM 0 HE2 TYR A 86 11.107 1.357 0.206 1.00 33.34 H new ATOM 0 HH TYR A 86 8.258 1.625 2.218 1.00 13.52 H new ATOM 1378 N ARG A 87 8.812 -5.340 -2.747 1.00 22.34 N ATOM 1379 CA ARG A 87 8.685 -6.426 -3.711 1.00 33.41 C ATOM 1380 C ARG A 87 7.254 -6.526 -4.231 1.00 72.23 C ATOM 1381 O ARG A 87 6.297 -6.434 -3.463 1.00 53.23 O ATOM 1382 CB ARG A 87 9.101 -7.754 -3.074 1.00 51.41 C ATOM 1383 CG ARG A 87 8.747 -8.970 -3.915 1.00 4.34 C ATOM 1384 CD ARG A 87 8.041 -10.032 -3.087 1.00 62.44 C ATOM 1385 NE ARG A 87 6.690 -9.625 -2.711 1.00 42.10 N ATOM 1386 CZ ARG A 87 5.957 -10.259 -1.803 1.00 25.24 C ATOM 1387 NH1 ARG A 87 6.443 -11.325 -1.181 1.00 2.44 N ATOM 1388 NH2 ARG A 87 4.736 -9.828 -1.514 1.00 43.43 N ATOM 0 H ARG A 87 7.931 -4.888 -2.502 1.00 22.34 H new ATOM 0 HA ARG A 87 9.345 -6.211 -4.551 1.00 33.41 H new ATOM 0 HB2 ARG A 87 10.177 -7.743 -2.901 1.00 51.41 H new ATOM 0 HB3 ARG A 87 8.622 -7.845 -2.099 1.00 51.41 H new ATOM 0 HG2 ARG A 87 8.106 -8.667 -4.743 1.00 4.34 H new ATOM 0 HG3 ARG A 87 9.654 -9.390 -4.350 1.00 4.34 H new ATOM 0 HD2 ARG A 87 7.995 -10.962 -3.654 1.00 62.44 H new ATOM 0 HD3 ARG A 87 8.622 -10.236 -2.187 1.00 62.44 H new ATOM 0 HE ARG A 87 6.287 -8.809 -3.171 1.00 42.10 H new ATOM 0 HH11 ARG A 87 7.381 -11.659 -1.400 1.00 2.44 H new ATOM 0 HH12 ARG A 87 5.878 -11.810 -0.484 1.00 2.44 H new ATOM 0 HH21 ARG A 87 4.359 -9.008 -1.990 1.00 43.43 H new ATOM 0 HH22 ARG A 87 4.175 -10.316 -0.816 1.00 43.43 H new ATOM 1402 N GLN A 88 7.117 -6.715 -5.540 1.00 3.31 N ATOM 1403 CA GLN A 88 5.803 -6.826 -6.162 1.00 44.42 C ATOM 1404 C GLN A 88 5.183 -8.191 -5.884 1.00 53.30 C ATOM 1405 O GLN A 88 5.853 -9.100 -5.393 1.00 54.44 O ATOM 1406 CB GLN A 88 5.910 -6.598 -7.671 1.00 73.42 C ATOM 1407 CG GLN A 88 4.743 -5.816 -8.252 1.00 43.42 C ATOM 1408 CD GLN A 88 4.894 -4.319 -8.064 1.00 53.24 C ATOM 1409 OE1 GLN A 88 5.453 -3.860 -7.068 1.00 50.42 O ATOM 1410 NE2 GLN A 88 4.394 -3.548 -9.024 1.00 21.43 N ATOM 0 H GLN A 88 7.899 -6.794 -6.190 1.00 3.31 H new ATOM 0 HA GLN A 88 5.158 -6.060 -5.731 1.00 44.42 H new ATOM 0 HB2 GLN A 88 6.836 -6.065 -7.885 1.00 73.42 H new ATOM 0 HB3 GLN A 88 5.975 -7.564 -8.172 1.00 73.42 H new ATOM 0 HG2 GLN A 88 4.655 -6.038 -9.316 1.00 43.42 H new ATOM 0 HG3 GLN A 88 3.818 -6.146 -7.780 1.00 43.42 H new ATOM 0 HE21 GLN A 88 3.939 -3.971 -9.833 1.00 21.43 H new ATOM 0 HE22 GLN A 88 4.466 -2.533 -8.952 1.00 21.43 H new ATOM 1419 N ASP A 89 3.900 -8.327 -6.200 1.00 73.01 N ATOM 1420 CA ASP A 89 3.188 -9.582 -5.985 1.00 4.21 C ATOM 1421 C ASP A 89 2.032 -9.727 -6.969 1.00 51.41 C ATOM 1422 O ASP A 89 1.842 -8.885 -7.846 1.00 73.43 O ATOM 1423 CB ASP A 89 2.665 -9.656 -4.550 1.00 23.44 C ATOM 1424 CG ASP A 89 2.695 -11.067 -3.995 1.00 60.11 C ATOM 1425 OD1 ASP A 89 3.601 -11.836 -4.379 1.00 72.01 O ATOM 1426 OD2 ASP A 89 1.812 -11.403 -3.178 1.00 10.41 O ATOM 0 H ASP A 89 3.331 -7.584 -6.606 1.00 73.01 H new ATOM 0 HA ASP A 89 3.887 -10.401 -6.152 1.00 4.21 H new ATOM 0 HB2 ASP A 89 3.265 -9.006 -3.914 1.00 23.44 H new ATOM 0 HB3 ASP A 89 1.643 -9.278 -4.519 1.00 23.44 H new ATOM 1431 N ASN A 90 1.263 -10.800 -6.817 1.00 61.11 N ATOM 1432 CA ASN A 90 0.126 -11.056 -7.694 1.00 21.22 C ATOM 1433 C ASN A 90 0.574 -11.750 -8.977 1.00 13.22 C ATOM 1434 O ASN A 90 -0.196 -12.476 -9.603 1.00 74.34 O ATOM 1435 CB ASN A 90 -0.589 -9.746 -8.032 1.00 31.53 C ATOM 1436 CG ASN A 90 -2.074 -9.943 -8.268 1.00 51.11 C ATOM 1437 OD1 ASN A 90 -2.883 -9.066 -7.966 1.00 54.35 O ATOM 1438 ND2 ASN A 90 -2.439 -11.099 -8.810 1.00 41.04 N ATOM 0 H ASN A 90 1.406 -11.506 -6.095 1.00 61.11 H new ATOM 0 HA ASN A 90 -0.566 -11.714 -7.168 1.00 21.22 H new ATOM 0 HB2 ASN A 90 -0.444 -9.036 -7.218 1.00 31.53 H new ATOM 0 HB3 ASN A 90 -0.137 -9.308 -8.922 1.00 31.53 H new ATOM 0 HD21 ASN A 90 -3.425 -11.288 -8.992 1.00 41.04 H new ATOM 0 HD22 ASN A 90 -1.734 -11.798 -9.044 1.00 41.04 H new ATOM 1445 N GLY A 91 1.826 -11.520 -9.362 1.00 33.35 N ATOM 1446 CA GLY A 91 2.355 -12.130 -10.567 1.00 71.43 C ATOM 1447 C GLY A 91 1.309 -12.265 -11.656 1.00 51.11 C ATOM 1448 O GLY A 91 0.650 -13.298 -11.768 1.00 11.15 O ATOM 0 H GLY A 91 2.483 -10.922 -8.860 1.00 33.35 H new ATOM 0 HA2 GLY A 91 3.187 -11.531 -10.939 1.00 71.43 H new ATOM 0 HA3 GLY A 91 2.754 -13.115 -10.327 1.00 71.43 H new ATOM 1452 N GLU A 92 1.155 -11.217 -12.460 1.00 25.21 N ATOM 1453 CA GLU A 92 0.180 -11.223 -13.544 1.00 33.05 C ATOM 1454 C GLU A 92 0.341 -9.990 -14.428 1.00 25.10 C ATOM 1455 O GLU A 92 0.042 -8.871 -14.011 1.00 60.05 O ATOM 1456 CB GLU A 92 -1.242 -11.277 -12.979 1.00 44.35 C ATOM 1457 CG GLU A 92 -2.323 -11.177 -14.043 1.00 25.43 C ATOM 1458 CD GLU A 92 -3.716 -11.084 -13.451 1.00 63.14 C ATOM 1459 OE1 GLU A 92 -3.890 -10.353 -12.454 1.00 62.30 O ATOM 1460 OE2 GLU A 92 -4.632 -11.742 -13.987 1.00 31.41 O ATOM 0 H GLU A 92 1.693 -10.354 -12.381 1.00 25.21 H new ATOM 0 HA GLU A 92 0.356 -12.110 -14.153 1.00 33.05 H new ATOM 0 HB2 GLU A 92 -1.370 -12.209 -12.429 1.00 44.35 H new ATOM 0 HB3 GLU A 92 -1.371 -10.464 -12.264 1.00 44.35 H new ATOM 0 HG2 GLU A 92 -2.137 -10.301 -14.664 1.00 25.43 H new ATOM 0 HG3 GLU A 92 -2.267 -12.048 -14.696 1.00 25.43 H new ATOM 1467 N TRP A 93 0.817 -10.204 -15.649 1.00 63.02 N ATOM 1468 CA TRP A 93 1.020 -9.110 -16.593 1.00 32.42 C ATOM 1469 C TRP A 93 0.861 -9.595 -18.030 1.00 12.23 C ATOM 1470 O TRP A 93 1.637 -10.424 -18.506 1.00 32.20 O ATOM 1471 CB TRP A 93 2.406 -8.493 -16.400 1.00 31.20 C ATOM 1472 CG TRP A 93 2.556 -7.766 -15.098 1.00 45.01 C ATOM 1473 CD1 TRP A 93 2.148 -6.493 -14.818 1.00 62.15 C ATOM 1474 CD2 TRP A 93 3.159 -8.268 -13.901 1.00 23.34 C ATOM 1475 NE1 TRP A 93 2.461 -6.174 -13.519 1.00 41.11 N ATOM 1476 CE2 TRP A 93 3.081 -7.246 -12.934 1.00 60.34 C ATOM 1477 CE3 TRP A 93 3.756 -9.482 -13.550 1.00 34.42 C ATOM 1478 CZ2 TRP A 93 3.578 -7.403 -11.643 1.00 60.33 C ATOM 1479 CZ3 TRP A 93 4.249 -9.637 -12.268 1.00 53.41 C ATOM 1480 CH2 TRP A 93 4.157 -8.602 -11.327 1.00 71.32 C ATOM 0 H TRP A 93 1.070 -11.124 -16.009 1.00 63.02 H new ATOM 0 HA TRP A 93 0.262 -8.351 -16.400 1.00 32.42 H new ATOM 0 HB2 TRP A 93 3.158 -9.280 -16.457 1.00 31.20 H new ATOM 0 HB3 TRP A 93 2.606 -7.802 -17.219 1.00 31.20 H new ATOM 0 HD1 TRP A 93 1.652 -5.834 -15.515 1.00 62.15 H new ATOM 0 HE1 TRP A 93 2.264 -5.283 -13.064 1.00 41.11 H new ATOM 0 HE3 TRP A 93 3.831 -10.285 -14.268 1.00 34.42 H new ATOM 0 HZ2 TRP A 93 3.509 -6.607 -10.917 1.00 60.33 H new ATOM 0 HZ3 TRP A 93 4.713 -10.571 -11.987 1.00 53.41 H new ATOM 0 HH2 TRP A 93 4.551 -8.754 -10.333 1.00 71.32 H new ATOM 1491 N THR A 94 -0.150 -9.072 -18.718 1.00 23.23 N ATOM 1492 CA THR A 94 -0.411 -9.452 -20.100 1.00 64.43 C ATOM 1493 C THR A 94 0.395 -8.593 -21.068 1.00 54.11 C ATOM 1494 O THR A 94 0.479 -7.375 -20.910 1.00 25.04 O ATOM 1495 CB THR A 94 -1.907 -9.328 -20.444 1.00 61.52 C ATOM 1496 OG1 THR A 94 -2.679 -10.176 -19.586 1.00 64.44 O ATOM 1497 CG2 THR A 94 -2.161 -9.702 -21.897 1.00 0.21 C ATOM 0 H THR A 94 -0.801 -8.384 -18.340 1.00 23.23 H new ATOM 0 HA THR A 94 -0.107 -10.494 -20.204 1.00 64.43 H new ATOM 0 HB THR A 94 -2.207 -8.291 -20.294 1.00 61.52 H new ATOM 0 HG1 THR A 94 -3.629 -10.090 -19.810 1.00 64.44 H new ATOM 0 HG21 THR A 94 -3.224 -9.607 -22.117 1.00 0.21 H new ATOM 0 HG22 THR A 94 -1.595 -9.036 -22.548 1.00 0.21 H new ATOM 0 HG23 THR A 94 -1.846 -10.731 -22.068 1.00 0.21 H new ATOM 1505 N VAL A 95 0.984 -9.234 -22.072 1.00 63.31 N ATOM 1506 CA VAL A 95 1.782 -8.528 -23.067 1.00 54.35 C ATOM 1507 C VAL A 95 0.909 -7.621 -23.928 1.00 73.20 C ATOM 1508 O VAL A 95 0.011 -8.090 -24.627 1.00 14.44 O ATOM 1509 CB VAL A 95 2.539 -9.510 -23.980 1.00 71.24 C ATOM 1510 CG1 VAL A 95 3.434 -8.755 -24.951 1.00 60.43 C ATOM 1511 CG2 VAL A 95 3.350 -10.493 -23.149 1.00 15.32 C ATOM 0 H VAL A 95 0.924 -10.242 -22.218 1.00 63.31 H new ATOM 0 HA VAL A 95 2.504 -7.922 -22.521 1.00 54.35 H new ATOM 0 HB VAL A 95 1.810 -10.075 -24.560 1.00 71.24 H new ATOM 0 HG11 VAL A 95 3.961 -9.466 -25.588 1.00 60.43 H new ATOM 0 HG12 VAL A 95 2.825 -8.095 -25.569 1.00 60.43 H new ATOM 0 HG13 VAL A 95 4.158 -8.162 -24.392 1.00 60.43 H new ATOM 0 HG21 VAL A 95 3.878 -11.179 -23.811 1.00 15.32 H new ATOM 0 HG22 VAL A 95 4.072 -9.947 -22.541 1.00 15.32 H new ATOM 0 HG23 VAL A 95 2.682 -11.058 -22.499 1.00 15.32 H new ATOM 1521 N GLU A 96 1.180 -6.321 -23.872 1.00 51.13 N ATOM 1522 CA GLU A 96 0.418 -5.349 -24.647 1.00 42.52 C ATOM 1523 C GLU A 96 1.348 -4.356 -25.340 1.00 31.40 C ATOM 1524 O GLU A 96 0.896 -3.444 -26.031 1.00 64.31 O ATOM 1525 CB GLU A 96 -0.563 -4.599 -23.743 1.00 71.14 C ATOM 1526 CG GLU A 96 -1.646 -5.486 -23.153 1.00 73.34 C ATOM 1527 CD GLU A 96 -3.043 -4.971 -23.440 1.00 52.34 C ATOM 1528 OE1 GLU A 96 -3.217 -4.264 -24.455 1.00 50.32 O ATOM 1529 OE2 GLU A 96 -3.962 -5.273 -22.651 1.00 21.52 O ATOM 0 H GLU A 96 1.921 -5.917 -23.299 1.00 51.13 H new ATOM 0 HA GLU A 96 -0.142 -5.890 -25.410 1.00 42.52 H new ATOM 0 HB2 GLU A 96 -0.009 -4.128 -22.931 1.00 71.14 H new ATOM 0 HB3 GLU A 96 -1.032 -3.799 -24.315 1.00 71.14 H new ATOM 0 HG2 GLU A 96 -1.544 -6.494 -23.556 1.00 73.34 H new ATOM 0 HG3 GLU A 96 -1.504 -5.558 -22.075 1.00 73.34 H new ATOM 1536 N GLY A 97 2.651 -4.542 -25.148 1.00 54.14 N ATOM 1537 CA GLY A 97 3.624 -3.656 -25.760 1.00 71.11 C ATOM 1538 C GLY A 97 4.538 -4.380 -26.729 1.00 4.35 C ATOM 1539 O GLY A 97 4.386 -5.580 -26.958 1.00 44.45 O ATOM 0 H GLY A 97 3.049 -5.290 -24.580 1.00 54.14 H new ATOM 0 HA2 GLY A 97 3.102 -2.856 -26.286 1.00 71.11 H new ATOM 0 HA3 GLY A 97 4.224 -3.187 -24.981 1.00 71.11 H new ATOM 1543 N PHE A 98 5.490 -3.649 -27.299 1.00 42.14 N ATOM 1544 CA PHE A 98 6.431 -4.228 -28.251 1.00 43.10 C ATOM 1545 C PHE A 98 7.733 -3.432 -28.282 1.00 12.05 C ATOM 1546 O PHE A 98 7.758 -2.249 -27.942 1.00 4.11 O ATOM 1547 CB PHE A 98 5.813 -4.270 -29.650 1.00 65.51 C ATOM 1548 CG PHE A 98 5.948 -5.606 -30.325 1.00 2.34 C ATOM 1549 CD1 PHE A 98 5.466 -6.755 -29.718 1.00 43.32 C ATOM 1550 CD2 PHE A 98 6.556 -5.712 -31.565 1.00 42.00 C ATOM 1551 CE1 PHE A 98 5.590 -7.985 -30.336 1.00 52.44 C ATOM 1552 CE2 PHE A 98 6.682 -6.939 -32.188 1.00 62.33 C ATOM 1553 CZ PHE A 98 6.197 -8.077 -31.573 1.00 43.14 C ATOM 0 H PHE A 98 5.630 -2.655 -27.118 1.00 42.14 H new ATOM 0 HA PHE A 98 6.655 -5.245 -27.929 1.00 43.10 H new ATOM 0 HB2 PHE A 98 4.756 -4.012 -29.580 1.00 65.51 H new ATOM 0 HB3 PHE A 98 6.286 -3.509 -30.271 1.00 65.51 H new ATOM 0 HD1 PHE A 98 4.988 -6.688 -28.752 1.00 43.32 H new ATOM 0 HD2 PHE A 98 6.936 -4.825 -32.051 1.00 42.00 H new ATOM 0 HE1 PHE A 98 5.212 -8.874 -29.852 1.00 52.44 H new ATOM 0 HE2 PHE A 98 7.159 -7.008 -33.154 1.00 62.33 H new ATOM 0 HZ PHE A 98 6.292 -9.037 -32.059 1.00 43.14 H new ATOM 1563 N VAL A 99 8.813 -4.090 -28.690 1.00 72.45 N ATOM 1564 CA VAL A 99 10.118 -3.446 -28.766 1.00 42.43 C ATOM 1565 C VAL A 99 11.113 -4.308 -29.535 1.00 2.21 C ATOM 1566 O VAL A 99 10.839 -5.469 -29.838 1.00 64.13 O ATOM 1567 CB VAL A 99 10.683 -3.156 -27.363 1.00 44.21 C ATOM 1568 CG1 VAL A 99 10.469 -1.696 -26.992 1.00 31.52 C ATOM 1569 CG2 VAL A 99 10.047 -4.076 -26.332 1.00 50.14 C ATOM 0 H VAL A 99 8.810 -5.070 -28.973 1.00 72.45 H new ATOM 0 HA VAL A 99 9.975 -2.503 -29.294 1.00 42.43 H new ATOM 0 HB VAL A 99 11.756 -3.349 -27.375 1.00 44.21 H new ATOM 0 HG11 VAL A 99 10.875 -1.510 -25.998 1.00 31.52 H new ATOM 0 HG12 VAL A 99 10.977 -1.058 -27.716 1.00 31.52 H new ATOM 0 HG13 VAL A 99 9.402 -1.472 -26.996 1.00 31.52 H new ATOM 0 HG21 VAL A 99 10.458 -3.857 -25.346 1.00 50.14 H new ATOM 0 HG22 VAL A 99 8.969 -3.917 -26.319 1.00 50.14 H new ATOM 0 HG23 VAL A 99 10.258 -5.114 -26.591 1.00 50.14 H new ATOM 1579 N ASP A 100 12.269 -3.732 -29.847 1.00 21.13 N ATOM 1580 CA ASP A 100 13.307 -4.448 -30.579 1.00 60.31 C ATOM 1581 C ASP A 100 14.666 -4.268 -29.911 1.00 25.02 C ATOM 1582 O ASP A 100 15.000 -3.178 -29.447 1.00 24.42 O ATOM 1583 CB ASP A 100 13.368 -3.961 -32.027 1.00 41.44 C ATOM 1584 CG ASP A 100 14.312 -2.788 -32.204 1.00 3.30 C ATOM 1585 OD1 ASP A 100 15.538 -3.018 -32.267 1.00 11.41 O ATOM 1586 OD2 ASP A 100 13.826 -1.640 -32.278 1.00 53.34 O ATOM 0 H ASP A 100 12.511 -2.771 -29.604 1.00 21.13 H new ATOM 0 HA ASP A 100 13.056 -5.509 -30.571 1.00 60.31 H new ATOM 0 HB2 ASP A 100 13.688 -4.781 -32.670 1.00 41.44 H new ATOM 0 HB3 ASP A 100 12.369 -3.672 -32.352 1.00 41.44 H new ATOM 1591 N GLU A 101 15.445 -5.344 -29.865 1.00 63.42 N ATOM 1592 CA GLU A 101 16.768 -5.304 -29.252 1.00 35.24 C ATOM 1593 C GLU A 101 17.812 -4.800 -30.243 1.00 43.00 C ATOM 1594 O GLU A 101 18.896 -5.371 -30.363 1.00 11.41 O ATOM 1595 CB GLU A 101 17.160 -6.693 -28.742 1.00 42.43 C ATOM 1596 CG GLU A 101 18.112 -6.660 -27.559 1.00 2.15 C ATOM 1597 CD GLU A 101 19.232 -7.675 -27.682 1.00 34.42 C ATOM 1598 OE1 GLU A 101 18.959 -8.808 -28.133 1.00 4.53 O ATOM 1599 OE2 GLU A 101 20.380 -7.337 -27.327 1.00 44.03 O ATOM 0 H GLU A 101 15.183 -6.254 -30.245 1.00 63.42 H new ATOM 0 HA GLU A 101 16.730 -4.613 -28.410 1.00 35.24 H new ATOM 0 HB2 GLU A 101 16.258 -7.234 -28.457 1.00 42.43 H new ATOM 0 HB3 GLU A 101 17.623 -7.252 -29.555 1.00 42.43 H new ATOM 0 HG2 GLU A 101 18.540 -5.662 -27.470 1.00 2.15 H new ATOM 0 HG3 GLU A 101 17.553 -6.850 -26.643 1.00 2.15 H new ATOM 1606 N ALA A 102 17.477 -3.727 -30.952 1.00 4.22 N ATOM 1607 CA ALA A 102 18.386 -3.144 -31.932 1.00 31.35 C ATOM 1608 C ALA A 102 18.023 -1.692 -32.222 1.00 13.03 C ATOM 1609 O ALA A 102 18.886 -0.814 -32.221 1.00 25.02 O ATOM 1610 CB ALA A 102 18.371 -3.961 -33.215 1.00 44.44 C ATOM 0 H ALA A 102 16.583 -3.244 -30.866 1.00 4.22 H new ATOM 0 HA ALA A 102 19.393 -3.162 -31.514 1.00 31.35 H new ATOM 0 HB1 ALA A 102 19.054 -3.515 -33.938 1.00 44.44 H new ATOM 0 HB2 ALA A 102 18.686 -4.982 -33.000 1.00 44.44 H new ATOM 0 HB3 ALA A 102 17.362 -3.972 -33.627 1.00 44.44 H new TER 1616 ALA A 102