USER MOD reduce.3.24.130724 H: found=0, std=0, add=1108, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 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 NoAdj-H: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 170 SEP H : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 173 SEP H : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 57 HIS : no HD1:sc= -0.571 X(o=-0.79,f=-0.65) USER MOD Set 1.2: B 183 MET CE :methyl -176:sc= -0.224 (180deg=-0.0899) USER MOD Set 2.1: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 111 MET CE :methyl -173:sc= -0.867 (180deg=-0.972) USER MOD Set 3.1: A 74 ASN :FLIP amide:sc= -2.05! C(o=-4.3!,f=-1.3!) USER MOD Set 3.2: A 76 ASN : amide:sc= 0.745 K(o=-1.3,f=-6.3!) USER MOD Set 4.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 9 GLN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : A 1 GLY N :NH3+ -153:sc= 0.0111 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 15 GLN : amide:sc= -0.0073 K(o=-0.0073,f=-0.53) USER MOD Single : A 26 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.021) USER MOD Single : A 27 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00271 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.3!) USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0.309) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= 2.58 (180deg=2.09) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.0978 F(o=-1.7,f=0.098) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.0061) USER MOD Single : A 77 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.53) USER MOD Single : A 84 ASN : amide:sc= 1.69 K(o=1.7,f=-0.3) USER MOD Single : A 86 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.12) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -166:sc= 0 (180deg=-0.372) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0611 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0534 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot -167:sc= 1.24 USER MOD Single : A 115 SER OG : rot 50:sc= 1.25 USER MOD Single : A 116 GLN : amide:sc= -0.628 K(o=-0.63,f=-1.9!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 169 ASN : amide:sc= -0.355 K(o=-0.35,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.785 -26.911 -0.767 1.00 34.43 N ATOM 2 CA GLY A 1 -8.522 -26.941 -1.511 1.00 30.40 C ATOM 3 C GLY A 1 -7.620 -25.813 -1.057 1.00 41.32 C ATOM 4 O GLY A 1 -7.499 -25.564 0.143 1.00 1.12 O ATOM 0 H1 GLY A 1 -10.185 -27.870 -0.723 1.00 34.43 H new ATOM 0 H2 GLY A 1 -9.611 -26.564 0.198 1.00 34.43 H new ATOM 0 H3 GLY A 1 -10.456 -26.278 -1.247 1.00 34.43 H new ATOM 0 HA2 GLY A 1 -8.024 -27.898 -1.358 1.00 30.40 H new ATOM 0 HA3 GLY A 1 -8.719 -26.851 -2.579 1.00 30.40 H new ATOM 8 N ALA A 2 -6.943 -25.147 -1.995 1.00 24.24 N ATOM 9 CA ALA A 2 -6.046 -24.032 -1.727 1.00 14.44 C ATOM 10 C ALA A 2 -6.059 -23.113 -2.945 1.00 4.40 C ATOM 11 O ALA A 2 -6.077 -23.599 -4.079 1.00 71.12 O ATOM 12 CB ALA A 2 -4.629 -24.546 -1.467 1.00 44.42 C ATOM 0 H ALA A 2 -7.009 -25.378 -2.986 1.00 24.24 H new ATOM 0 HA ALA A 2 -6.375 -23.488 -0.842 1.00 14.44 H new ATOM 0 HB1 ALA A 2 -3.967 -23.703 -1.268 1.00 44.42 H new ATOM 0 HB2 ALA A 2 -4.636 -25.213 -0.605 1.00 44.42 H new ATOM 0 HB3 ALA A 2 -4.272 -25.088 -2.343 1.00 44.42 H new ATOM 18 N MET A 3 -6.070 -21.798 -2.716 1.00 31.30 N ATOM 19 CA MET A 3 -6.079 -20.762 -3.746 1.00 33.42 C ATOM 20 C MET A 3 -5.971 -19.407 -3.045 1.00 25.53 C ATOM 21 O MET A 3 -6.966 -18.879 -2.554 1.00 10.42 O ATOM 22 CB MET A 3 -7.343 -20.846 -4.638 1.00 44.41 C ATOM 23 CG MET A 3 -8.657 -21.132 -3.891 1.00 23.40 C ATOM 24 SD MET A 3 -10.096 -21.336 -4.966 1.00 23.53 S ATOM 25 CE MET A 3 -11.408 -21.280 -3.720 1.00 53.14 C ATOM 0 H MET A 3 -6.073 -21.413 -1.771 1.00 31.30 H new ATOM 0 HA MET A 3 -5.233 -20.902 -4.419 1.00 33.42 H new ATOM 0 HB2 MET A 3 -7.449 -19.906 -5.179 1.00 44.41 H new ATOM 0 HB3 MET A 3 -7.191 -21.627 -5.383 1.00 44.41 H new ATOM 0 HG2 MET A 3 -8.533 -22.036 -3.295 1.00 23.40 H new ATOM 0 HG3 MET A 3 -8.851 -20.315 -3.195 1.00 23.40 H new ATOM 0 HE1 MET A 3 -12.377 -21.392 -4.207 1.00 53.14 H new ATOM 0 HE2 MET A 3 -11.266 -22.090 -3.005 1.00 53.14 H new ATOM 0 HE3 MET A 3 -11.373 -20.324 -3.197 1.00 53.14 H new ATOM 35 N GLY A 4 -4.766 -18.850 -2.934 1.00 5.21 N ATOM 36 CA GLY A 4 -4.557 -17.558 -2.295 1.00 31.13 C ATOM 37 C GLY A 4 -4.467 -16.501 -3.382 1.00 70.54 C ATOM 38 O GLY A 4 -3.394 -16.321 -3.954 1.00 14.02 O ATOM 0 H GLY A 4 -3.911 -19.283 -3.284 1.00 5.21 H new ATOM 0 HA2 GLY A 4 -5.378 -17.334 -1.613 1.00 31.13 H new ATOM 0 HA3 GLY A 4 -3.643 -17.571 -1.701 1.00 31.13 H new ATOM 42 N LYS A 5 -5.556 -15.781 -3.663 1.00 11.14 N ATOM 43 CA LYS A 5 -5.573 -14.743 -4.693 1.00 41.04 C ATOM 44 C LYS A 5 -5.404 -13.364 -4.072 1.00 73.52 C ATOM 45 O LYS A 5 -5.820 -13.127 -2.934 1.00 50.45 O ATOM 46 CB LYS A 5 -6.880 -14.826 -5.494 1.00 74.31 C ATOM 47 CG LYS A 5 -7.033 -16.164 -6.233 1.00 73.12 C ATOM 48 CD LYS A 5 -8.335 -16.197 -7.039 1.00 44.05 C ATOM 49 CE LYS A 5 -8.297 -17.386 -8.001 1.00 71.11 C ATOM 50 NZ LYS A 5 -9.547 -17.503 -8.771 1.00 25.24 N ATOM 0 H LYS A 5 -6.448 -15.902 -3.183 1.00 11.14 H new ATOM 0 HA LYS A 5 -4.736 -14.907 -5.372 1.00 41.04 H new ATOM 0 HB2 LYS A 5 -7.725 -14.688 -4.819 1.00 74.31 H new ATOM 0 HB3 LYS A 5 -6.912 -14.010 -6.216 1.00 74.31 H new ATOM 0 HG2 LYS A 5 -6.184 -16.315 -6.900 1.00 73.12 H new ATOM 0 HG3 LYS A 5 -7.024 -16.984 -5.515 1.00 73.12 H new ATOM 0 HD2 LYS A 5 -9.190 -16.283 -6.369 1.00 44.05 H new ATOM 0 HD3 LYS A 5 -8.457 -15.267 -7.595 1.00 44.05 H new ATOM 0 HE2 LYS A 5 -7.457 -17.273 -8.686 1.00 71.11 H new ATOM 0 HE3 LYS A 5 -8.129 -18.304 -7.438 1.00 71.11 H new ATOM 0 HZ1 LYS A 5 -9.485 -18.320 -9.412 1.00 25.24 H new ATOM 0 HZ2 LYS A 5 -10.346 -17.635 -8.118 1.00 25.24 H new ATOM 0 HZ3 LYS A 5 -9.695 -16.637 -9.327 1.00 25.24 H new ATOM 64 N THR A 6 -4.831 -12.450 -4.841 1.00 50.25 N ATOM 65 CA THR A 6 -4.571 -11.064 -4.480 1.00 42.45 C ATOM 66 C THR A 6 -5.891 -10.265 -4.415 1.00 31.33 C ATOM 67 O THR A 6 -6.888 -10.656 -5.026 1.00 42.45 O ATOM 68 CB THR A 6 -3.624 -10.548 -5.584 1.00 43.41 C ATOM 69 OG1 THR A 6 -2.483 -11.385 -5.655 1.00 31.21 O ATOM 70 CG2 THR A 6 -3.147 -9.111 -5.421 1.00 62.23 C ATOM 0 H THR A 6 -4.517 -12.668 -5.787 1.00 50.25 H new ATOM 0 HA THR A 6 -4.121 -10.956 -3.493 1.00 42.45 H new ATOM 0 HB THR A 6 -4.220 -10.570 -6.496 1.00 43.41 H new ATOM 0 HG1 THR A 6 -1.882 -11.059 -6.357 1.00 31.21 H new ATOM 0 HG21 THR A 6 -2.488 -8.850 -6.249 1.00 62.23 H new ATOM 0 HG22 THR A 6 -4.006 -8.441 -5.416 1.00 62.23 H new ATOM 0 HG23 THR A 6 -2.605 -9.012 -4.481 1.00 62.23 H new ATOM 78 N PHE A 7 -5.889 -9.094 -3.771 1.00 22.12 N ATOM 79 CA PHE A 7 -7.040 -8.203 -3.626 1.00 73.51 C ATOM 80 C PHE A 7 -7.652 -7.889 -4.998 1.00 10.14 C ATOM 81 O PHE A 7 -8.837 -8.135 -5.215 1.00 43.43 O ATOM 82 CB PHE A 7 -6.638 -6.912 -2.881 1.00 73.23 C ATOM 83 CG PHE A 7 -5.782 -5.950 -3.692 1.00 33.31 C ATOM 84 CD1 PHE A 7 -4.432 -6.248 -3.959 1.00 73.13 C ATOM 85 CD2 PHE A 7 -6.357 -4.792 -4.252 1.00 32.54 C ATOM 86 CE1 PHE A 7 -3.681 -5.425 -4.815 1.00 53.12 C ATOM 87 CE2 PHE A 7 -5.602 -3.961 -5.095 1.00 63.23 C ATOM 88 CZ PHE A 7 -4.269 -4.287 -5.393 1.00 43.43 C ATOM 0 H PHE A 7 -5.051 -8.728 -3.319 1.00 22.12 H new ATOM 0 HA PHE A 7 -7.799 -8.708 -3.029 1.00 73.51 H new ATOM 0 HB2 PHE A 7 -7.544 -6.394 -2.566 1.00 73.23 H new ATOM 0 HB3 PHE A 7 -6.095 -7.185 -1.976 1.00 73.23 H new ATOM 0 HD1 PHE A 7 -3.972 -7.113 -3.504 1.00 73.13 H new ATOM 0 HD2 PHE A 7 -7.384 -4.542 -4.032 1.00 32.54 H new ATOM 0 HE1 PHE A 7 -2.651 -5.667 -5.029 1.00 53.12 H new ATOM 0 HE2 PHE A 7 -6.047 -3.071 -5.514 1.00 63.23 H new ATOM 0 HZ PHE A 7 -3.697 -3.664 -6.065 1.00 43.43 H new ATOM 98 N LYS A 8 -6.839 -7.470 -5.978 1.00 54.14 N ATOM 99 CA LYS A 8 -7.344 -7.148 -7.310 1.00 43.33 C ATOM 100 C LYS A 8 -7.884 -8.355 -8.058 1.00 64.33 C ATOM 101 O LYS A 8 -8.650 -8.198 -9.003 1.00 70.21 O ATOM 102 CB LYS A 8 -6.356 -6.296 -8.110 1.00 33.13 C ATOM 103 CG LYS A 8 -5.000 -6.891 -8.498 1.00 53.33 C ATOM 104 CD LYS A 8 -4.182 -5.741 -9.110 1.00 5.35 C ATOM 105 CE LYS A 8 -3.079 -6.176 -10.069 1.00 44.31 C ATOM 106 NZ LYS A 8 -2.064 -7.043 -9.445 1.00 65.32 N ATOM 0 H LYS A 8 -5.832 -7.348 -5.869 1.00 54.14 H new ATOM 0 HA LYS A 8 -8.221 -6.516 -7.168 1.00 43.33 H new ATOM 0 HB2 LYS A 8 -6.856 -5.991 -9.030 1.00 33.13 H new ATOM 0 HB3 LYS A 8 -6.164 -5.390 -7.536 1.00 33.13 H new ATOM 0 HG2 LYS A 8 -4.494 -7.307 -7.626 1.00 53.33 H new ATOM 0 HG3 LYS A 8 -5.123 -7.704 -9.213 1.00 53.33 H new ATOM 0 HD2 LYS A 8 -4.861 -5.073 -9.640 1.00 5.35 H new ATOM 0 HD3 LYS A 8 -3.733 -5.163 -8.302 1.00 5.35 H new ATOM 0 HE2 LYS A 8 -3.528 -6.704 -10.911 1.00 44.31 H new ATOM 0 HE3 LYS A 8 -2.589 -5.290 -10.473 1.00 44.31 H new ATOM 0 HZ1 LYS A 8 -1.346 -7.301 -10.152 1.00 65.32 H new ATOM 0 HZ2 LYS A 8 -1.610 -6.536 -8.659 1.00 65.32 H new ATOM 0 HZ3 LYS A 8 -2.519 -7.905 -9.083 1.00 65.32 H new ATOM 120 N GLN A 9 -7.481 -9.564 -7.675 1.00 32.50 N ATOM 121 CA GLN A 9 -8.001 -10.762 -8.307 1.00 4.30 C ATOM 122 C GLN A 9 -9.411 -10.962 -7.729 1.00 42.22 C ATOM 123 O GLN A 9 -10.360 -11.121 -8.488 1.00 14.03 O ATOM 124 CB GLN A 9 -7.071 -11.955 -8.054 1.00 13.21 C ATOM 125 CG GLN A 9 -5.825 -11.934 -8.945 1.00 4.04 C ATOM 126 CD GLN A 9 -4.848 -13.038 -8.550 1.00 23.11 C ATOM 127 OE1 GLN A 9 -5.218 -14.193 -8.336 1.00 42.01 O ATOM 128 NE2 GLN A 9 -3.588 -12.694 -8.377 1.00 53.31 N ATOM 0 H GLN A 9 -6.800 -9.734 -6.935 1.00 32.50 H new ATOM 0 HA GLN A 9 -8.054 -10.671 -9.392 1.00 4.30 H new ATOM 0 HB2 GLN A 9 -6.764 -11.956 -7.008 1.00 13.21 H new ATOM 0 HB3 GLN A 9 -7.620 -12.881 -8.226 1.00 13.21 H new ATOM 0 HG2 GLN A 9 -6.118 -12.059 -9.988 1.00 4.04 H new ATOM 0 HG3 GLN A 9 -5.334 -10.964 -8.866 1.00 4.04 H new ATOM 0 HE21 GLN A 9 -3.292 -11.735 -8.557 1.00 53.31 H new ATOM 0 HE22 GLN A 9 -2.909 -13.387 -8.063 1.00 53.31 H new ATOM 137 N ARG A 10 -9.601 -10.856 -6.403 1.00 63.23 N ATOM 138 CA ARG A 10 -10.925 -11.044 -5.794 1.00 22.14 C ATOM 139 C ARG A 10 -11.900 -9.865 -5.966 1.00 50.21 C ATOM 140 O ARG A 10 -13.065 -10.002 -5.611 1.00 71.22 O ATOM 141 CB ARG A 10 -10.812 -11.426 -4.302 1.00 74.24 C ATOM 142 CG ARG A 10 -10.280 -10.315 -3.379 1.00 4.14 C ATOM 143 CD ARG A 10 -10.931 -10.312 -1.991 1.00 1.11 C ATOM 144 NE ARG A 10 -10.682 -11.555 -1.249 1.00 61.11 N ATOM 145 CZ ARG A 10 -11.116 -11.820 -0.012 1.00 5.42 C ATOM 146 NH1 ARG A 10 -11.796 -10.908 0.679 1.00 24.51 N ATOM 147 NH2 ARG A 10 -10.856 -12.998 0.535 1.00 23.13 N ATOM 0 H ARG A 10 -8.858 -10.642 -5.737 1.00 63.23 H new ATOM 0 HA ARG A 10 -11.361 -11.870 -6.356 1.00 22.14 H new ATOM 0 HB2 ARG A 10 -11.796 -11.732 -3.946 1.00 74.24 H new ATOM 0 HB3 ARG A 10 -10.158 -12.293 -4.214 1.00 74.24 H new ATOM 0 HG2 ARG A 10 -9.202 -10.432 -3.266 1.00 4.14 H new ATOM 0 HG3 ARG A 10 -10.448 -9.348 -3.853 1.00 4.14 H new ATOM 0 HD2 ARG A 10 -10.550 -9.468 -1.417 1.00 1.11 H new ATOM 0 HD3 ARG A 10 -12.006 -10.166 -2.098 1.00 1.11 H new ATOM 0 HE ARG A 10 -10.132 -12.276 -1.716 1.00 61.11 H new ATOM 0 HH11 ARG A 10 -11.991 -9.996 0.266 1.00 24.51 H new ATOM 0 HH12 ARG A 10 -12.122 -11.121 1.622 1.00 24.51 H new ATOM 0 HH21 ARG A 10 -10.327 -13.697 0.013 1.00 23.13 H new ATOM 0 HH22 ARG A 10 -11.184 -13.206 1.478 1.00 23.13 H new ATOM 161 N ARG A 11 -11.472 -8.704 -6.471 1.00 25.51 N ATOM 162 CA ARG A 11 -12.327 -7.532 -6.676 1.00 43.34 C ATOM 163 C ARG A 11 -12.145 -7.085 -8.114 1.00 10.22 C ATOM 164 O ARG A 11 -11.022 -6.726 -8.494 1.00 53.01 O ATOM 165 CB ARG A 11 -11.972 -6.388 -5.706 1.00 42.24 C ATOM 166 CG ARG A 11 -12.334 -6.635 -4.242 1.00 63.43 C ATOM 167 CD ARG A 11 -13.835 -6.519 -4.000 1.00 73.22 C ATOM 168 NE ARG A 11 -14.099 -6.342 -2.570 1.00 24.13 N ATOM 169 CZ ARG A 11 -14.241 -7.290 -1.637 1.00 43.03 C ATOM 170 NH1 ARG A 11 -14.300 -8.573 -1.989 1.00 70.41 N ATOM 171 NH2 ARG A 11 -14.295 -6.959 -0.355 1.00 44.10 N ATOM 0 H ARG A 11 -10.504 -8.550 -6.754 1.00 25.51 H new ATOM 0 HA ARG A 11 -13.366 -7.796 -6.477 1.00 43.34 H new ATOM 0 HB2 ARG A 11 -10.901 -6.199 -5.771 1.00 42.24 H new ATOM 0 HB3 ARG A 11 -12.477 -5.481 -6.040 1.00 42.24 H new ATOM 0 HG2 ARG A 11 -11.994 -7.628 -3.947 1.00 63.43 H new ATOM 0 HG3 ARG A 11 -11.808 -5.918 -3.612 1.00 63.43 H new ATOM 0 HD2 ARG A 11 -14.238 -5.675 -4.560 1.00 73.22 H new ATOM 0 HD3 ARG A 11 -14.341 -7.413 -4.364 1.00 73.22 H new ATOM 0 HE ARG A 11 -14.185 -5.379 -2.246 1.00 24.13 H new ATOM 0 HH11 ARG A 11 -14.237 -8.835 -2.973 1.00 70.41 H new ATOM 0 HH12 ARG A 11 -14.408 -9.293 -1.275 1.00 70.41 H new ATOM 0 HH21 ARG A 11 -14.228 -5.980 -0.078 1.00 44.10 H new ATOM 0 HH22 ARG A 11 -14.403 -7.684 0.355 1.00 44.10 H new ATOM 185 N THR A 12 -13.204 -7.146 -8.922 1.00 14.22 N ATOM 186 CA THR A 12 -13.123 -6.733 -10.317 1.00 30.54 C ATOM 187 C THR A 12 -12.724 -5.254 -10.436 1.00 62.43 C ATOM 188 O THR A 12 -12.716 -4.519 -9.444 1.00 65.32 O ATOM 189 CB THR A 12 -14.426 -7.084 -11.053 1.00 64.54 C ATOM 190 OG1 THR A 12 -14.156 -7.055 -12.433 1.00 13.43 O ATOM 191 CG2 THR A 12 -15.590 -6.135 -10.753 1.00 41.03 C ATOM 0 H THR A 12 -14.124 -7.477 -8.632 1.00 14.22 H new ATOM 0 HA THR A 12 -12.328 -7.290 -10.813 1.00 30.54 H new ATOM 0 HB THR A 12 -14.743 -8.068 -10.706 1.00 64.54 H new ATOM 0 HG1 THR A 12 -14.971 -7.277 -12.930 1.00 13.43 H new ATOM 0 HG21 THR A 12 -16.471 -6.452 -11.311 1.00 41.03 H new ATOM 0 HG22 THR A 12 -15.810 -6.155 -9.686 1.00 41.03 H new ATOM 0 HG23 THR A 12 -15.319 -5.122 -11.049 1.00 41.03 H new ATOM 199 N PHE A 13 -12.387 -4.832 -11.657 1.00 2.02 N ATOM 200 CA PHE A 13 -11.973 -3.474 -11.978 1.00 65.32 C ATOM 201 C PHE A 13 -13.028 -2.466 -11.516 1.00 61.24 C ATOM 202 O PHE A 13 -12.702 -1.537 -10.784 1.00 65.21 O ATOM 203 CB PHE A 13 -11.685 -3.373 -13.485 1.00 43.23 C ATOM 204 CG PHE A 13 -10.835 -2.179 -13.880 1.00 53.13 C ATOM 205 CD1 PHE A 13 -11.323 -0.869 -13.717 1.00 70.22 C ATOM 206 CD2 PHE A 13 -9.542 -2.371 -14.406 1.00 41.31 C ATOM 207 CE1 PHE A 13 -10.506 0.230 -14.019 1.00 11.42 C ATOM 208 CE2 PHE A 13 -8.756 -1.266 -14.777 1.00 13.25 C ATOM 209 CZ PHE A 13 -9.225 0.040 -14.554 1.00 4.05 C ATOM 0 H PHE A 13 -12.397 -5.448 -12.470 1.00 2.02 H new ATOM 0 HA PHE A 13 -11.055 -3.230 -11.444 1.00 65.32 H new ATOM 0 HB2 PHE A 13 -11.183 -4.285 -13.809 1.00 43.23 H new ATOM 0 HB3 PHE A 13 -12.632 -3.323 -14.022 1.00 43.23 H new ATOM 0 HD1 PHE A 13 -12.329 -0.710 -13.358 1.00 70.22 H new ATOM 0 HD2 PHE A 13 -9.153 -3.372 -14.525 1.00 41.31 H new ATOM 0 HE1 PHE A 13 -10.867 1.231 -13.838 1.00 11.42 H new ATOM 0 HE2 PHE A 13 -7.790 -1.421 -15.234 1.00 13.25 H new ATOM 0 HZ PHE A 13 -8.603 0.890 -14.793 1.00 4.05 H new ATOM 219 N GLU A 14 -14.295 -2.686 -11.883 1.00 5.45 N ATOM 220 CA GLU A 14 -15.420 -1.818 -11.533 1.00 44.11 C ATOM 221 C GLU A 14 -15.487 -1.605 -10.021 1.00 71.14 C ATOM 222 O GLU A 14 -15.403 -0.472 -9.546 1.00 62.52 O ATOM 223 CB GLU A 14 -16.724 -2.431 -12.057 1.00 61.13 C ATOM 224 CG GLU A 14 -16.829 -2.413 -13.586 1.00 43.41 C ATOM 225 CD GLU A 14 -17.644 -1.213 -14.069 1.00 73.51 C ATOM 226 OE1 GLU A 14 -17.171 -0.066 -13.888 1.00 72.40 O ATOM 227 OE2 GLU A 14 -18.755 -1.434 -14.609 1.00 31.04 O ATOM 0 H GLU A 14 -14.571 -3.492 -12.445 1.00 5.45 H new ATOM 0 HA GLU A 14 -15.277 -0.843 -11.999 1.00 44.11 H new ATOM 0 HB2 GLU A 14 -16.801 -3.460 -11.706 1.00 61.13 H new ATOM 0 HB3 GLU A 14 -17.569 -1.887 -11.635 1.00 61.13 H new ATOM 0 HG2 GLU A 14 -15.830 -2.377 -14.022 1.00 43.41 H new ATOM 0 HG3 GLU A 14 -17.295 -3.336 -13.932 1.00 43.41 H new ATOM 234 N GLN A 15 -15.593 -2.693 -9.247 1.00 25.14 N ATOM 235 CA GLN A 15 -15.656 -2.571 -7.796 1.00 21.45 C ATOM 236 C GLN A 15 -14.374 -1.922 -7.259 1.00 5.44 C ATOM 237 O GLN A 15 -14.430 -1.252 -6.237 1.00 61.12 O ATOM 238 CB GLN A 15 -15.993 -3.908 -7.108 1.00 42.44 C ATOM 239 CG GLN A 15 -16.518 -3.649 -5.679 1.00 71.54 C ATOM 240 CD GLN A 15 -16.951 -4.905 -4.923 1.00 44.22 C ATOM 241 OE1 GLN A 15 -16.728 -6.039 -5.350 1.00 73.42 O ATOM 242 NE2 GLN A 15 -17.537 -4.742 -3.752 1.00 73.52 N ATOM 0 H GLN A 15 -15.636 -3.649 -9.599 1.00 25.14 H new ATOM 0 HA GLN A 15 -16.484 -1.908 -7.546 1.00 21.45 H new ATOM 0 HB2 GLN A 15 -16.743 -4.446 -7.688 1.00 42.44 H new ATOM 0 HB3 GLN A 15 -15.106 -4.540 -7.069 1.00 42.44 H new ATOM 0 HG2 GLN A 15 -15.739 -3.146 -5.106 1.00 71.54 H new ATOM 0 HG3 GLN A 15 -17.365 -2.965 -5.735 1.00 71.54 H new ATOM 0 HE21 GLN A 15 -17.721 -3.802 -3.400 1.00 73.52 H new ATOM 0 HE22 GLN A 15 -17.806 -5.556 -3.199 1.00 73.52 H new ATOM 251 N ARG A 16 -13.206 -2.100 -7.893 1.00 22.55 N ATOM 252 CA ARG A 16 -11.985 -1.460 -7.402 1.00 32.34 C ATOM 253 C ARG A 16 -12.050 0.044 -7.616 1.00 22.55 C ATOM 254 O ARG A 16 -11.568 0.770 -6.755 1.00 3.14 O ATOM 255 CB ARG A 16 -10.721 -2.057 -8.013 1.00 31.53 C ATOM 256 CG ARG A 16 -10.348 -3.300 -7.202 1.00 45.24 C ATOM 257 CD ARG A 16 -8.980 -3.815 -7.614 1.00 22.24 C ATOM 258 NE ARG A 16 -9.019 -4.426 -8.952 1.00 73.21 N ATOM 259 CZ ARG A 16 -8.221 -4.105 -9.979 1.00 4.03 C ATOM 260 NH1 ARG A 16 -7.353 -3.097 -9.889 1.00 73.14 N ATOM 261 NH2 ARG A 16 -8.234 -4.850 -11.080 1.00 21.14 N ATOM 0 H ARG A 16 -13.085 -2.670 -8.730 1.00 22.55 H new ATOM 0 HA ARG A 16 -11.926 -1.656 -6.331 1.00 32.34 H new ATOM 0 HB2 ARG A 16 -10.889 -2.319 -9.057 1.00 31.53 H new ATOM 0 HB3 ARG A 16 -9.908 -1.331 -7.994 1.00 31.53 H new ATOM 0 HG2 ARG A 16 -10.348 -3.061 -6.139 1.00 45.24 H new ATOM 0 HG3 ARG A 16 -11.096 -4.078 -7.353 1.00 45.24 H new ATOM 0 HD2 ARG A 16 -8.263 -2.994 -7.608 1.00 22.24 H new ATOM 0 HD3 ARG A 16 -8.631 -4.548 -6.887 1.00 22.24 H new ATOM 0 HE ARG A 16 -9.713 -5.156 -9.111 1.00 73.21 H new ATOM 0 HH11 ARG A 16 -7.288 -2.555 -9.027 1.00 73.14 H new ATOM 0 HH12 ARG A 16 -6.754 -2.868 -10.682 1.00 73.14 H new ATOM 0 HH21 ARG A 16 -8.849 -5.661 -11.140 1.00 21.14 H new ATOM 0 HH22 ARG A 16 -7.629 -4.610 -11.865 1.00 21.14 H new ATOM 275 N VAL A 17 -12.616 0.526 -8.719 1.00 51.04 N ATOM 276 CA VAL A 17 -12.733 1.964 -8.929 1.00 30.42 C ATOM 277 C VAL A 17 -13.663 2.474 -7.813 1.00 70.10 C ATOM 278 O VAL A 17 -13.381 3.504 -7.203 1.00 24.15 O ATOM 279 CB VAL A 17 -13.237 2.248 -10.359 1.00 2.24 C ATOM 280 CG1 VAL A 17 -13.565 3.729 -10.576 1.00 13.45 C ATOM 281 CG2 VAL A 17 -12.178 1.861 -11.401 1.00 4.33 C ATOM 0 H VAL A 17 -12.996 -0.049 -9.471 1.00 51.04 H new ATOM 0 HA VAL A 17 -11.781 2.491 -8.864 1.00 30.42 H new ATOM 0 HB VAL A 17 -14.141 1.651 -10.479 1.00 2.24 H new ATOM 0 HG11 VAL A 17 -13.916 3.878 -11.597 1.00 13.45 H new ATOM 0 HG12 VAL A 17 -14.343 4.036 -9.877 1.00 13.45 H new ATOM 0 HG13 VAL A 17 -12.670 4.328 -10.408 1.00 13.45 H new ATOM 0 HG21 VAL A 17 -12.558 2.071 -12.401 1.00 4.33 H new ATOM 0 HG22 VAL A 17 -11.270 2.439 -11.229 1.00 4.33 H new ATOM 0 HG23 VAL A 17 -11.953 0.798 -11.314 1.00 4.33 H new ATOM 291 N GLU A 18 -14.725 1.722 -7.492 1.00 70.43 N ATOM 292 CA GLU A 18 -15.692 2.048 -6.452 1.00 30.42 C ATOM 293 C GLU A 18 -15.026 2.035 -5.063 1.00 51.32 C ATOM 294 O GLU A 18 -15.312 2.896 -4.239 1.00 34.15 O ATOM 295 CB GLU A 18 -16.895 1.100 -6.546 1.00 10.23 C ATOM 296 CG GLU A 18 -18.018 1.544 -5.601 1.00 50.30 C ATOM 297 CD GLU A 18 -19.343 0.860 -5.927 1.00 12.22 C ATOM 298 OE1 GLU A 18 -19.394 -0.383 -6.038 1.00 65.32 O ATOM 299 OE2 GLU A 18 -20.357 1.583 -6.088 1.00 23.11 O ATOM 0 H GLU A 18 -14.935 0.844 -7.968 1.00 70.43 H new ATOM 0 HA GLU A 18 -16.064 3.061 -6.603 1.00 30.42 H new ATOM 0 HB2 GLU A 18 -17.265 1.076 -7.571 1.00 10.23 H new ATOM 0 HB3 GLU A 18 -16.584 0.086 -6.296 1.00 10.23 H new ATOM 0 HG2 GLU A 18 -17.737 1.318 -4.572 1.00 50.30 H new ATOM 0 HG3 GLU A 18 -18.142 2.625 -5.668 1.00 50.30 H new ATOM 306 N ASP A 19 -14.093 1.118 -4.821 1.00 73.51 N ATOM 307 CA ASP A 19 -13.326 0.937 -3.585 1.00 61.53 C ATOM 308 C ASP A 19 -12.403 2.145 -3.401 1.00 45.40 C ATOM 309 O ASP A 19 -12.346 2.754 -2.329 1.00 63.50 O ATOM 310 CB ASP A 19 -12.569 -0.400 -3.739 1.00 13.05 C ATOM 311 CG ASP A 19 -11.557 -0.845 -2.688 1.00 1.11 C ATOM 312 OD1 ASP A 19 -11.316 -0.187 -1.657 1.00 64.42 O ATOM 313 OD2 ASP A 19 -10.922 -1.906 -2.934 1.00 71.12 O ATOM 0 H ASP A 19 -13.833 0.433 -5.530 1.00 73.51 H new ATOM 0 HA ASP A 19 -13.946 0.886 -2.690 1.00 61.53 H new ATOM 0 HB2 ASP A 19 -13.319 -1.187 -3.816 1.00 13.05 H new ATOM 0 HB3 ASP A 19 -12.045 -0.364 -4.694 1.00 13.05 H new ATOM 318 N VAL A 20 -11.717 2.562 -4.474 1.00 32.14 N ATOM 319 CA VAL A 20 -10.818 3.711 -4.437 1.00 11.44 C ATOM 320 C VAL A 20 -11.632 4.966 -4.119 1.00 5.05 C ATOM 321 O VAL A 20 -11.320 5.664 -3.150 1.00 22.14 O ATOM 322 CB VAL A 20 -10.035 3.845 -5.762 1.00 4.11 C ATOM 323 CG1 VAL A 20 -9.238 5.157 -5.844 1.00 63.12 C ATOM 324 CG2 VAL A 20 -9.015 2.713 -5.898 1.00 34.51 C ATOM 0 H VAL A 20 -11.773 2.110 -5.387 1.00 32.14 H new ATOM 0 HA VAL A 20 -10.073 3.572 -3.653 1.00 11.44 H new ATOM 0 HB VAL A 20 -10.785 3.815 -6.553 1.00 4.11 H new ATOM 0 HG11 VAL A 20 -8.706 5.201 -6.794 1.00 63.12 H new ATOM 0 HG12 VAL A 20 -9.921 6.003 -5.771 1.00 63.12 H new ATOM 0 HG13 VAL A 20 -8.520 5.199 -5.025 1.00 63.12 H new ATOM 0 HG21 VAL A 20 -8.472 2.823 -6.837 1.00 34.51 H new ATOM 0 HG22 VAL A 20 -8.312 2.755 -5.066 1.00 34.51 H new ATOM 0 HG23 VAL A 20 -9.533 1.754 -5.888 1.00 34.51 H new ATOM 334 N ARG A 21 -12.656 5.283 -4.919 1.00 70.22 N ATOM 335 CA ARG A 21 -13.475 6.474 -4.688 1.00 11.42 C ATOM 336 C ARG A 21 -14.156 6.435 -3.321 1.00 5.12 C ATOM 337 O ARG A 21 -14.263 7.492 -2.700 1.00 3.35 O ATOM 338 CB ARG A 21 -14.456 6.717 -5.849 1.00 54.43 C ATOM 339 CG ARG A 21 -15.490 5.605 -6.063 1.00 54.21 C ATOM 340 CD ARG A 21 -16.816 5.779 -5.310 1.00 42.23 C ATOM 341 NE ARG A 21 -17.720 6.662 -6.059 1.00 70.21 N ATOM 342 CZ ARG A 21 -18.796 6.289 -6.760 1.00 3.02 C ATOM 343 NH1 ARG A 21 -19.360 5.105 -6.560 1.00 34.45 N ATOM 344 NH2 ARG A 21 -19.263 7.091 -7.707 1.00 12.15 N ATOM 0 H ARG A 21 -12.936 4.731 -5.730 1.00 70.22 H new ATOM 0 HA ARG A 21 -12.811 7.338 -4.666 1.00 11.42 H new ATOM 0 HB2 ARG A 21 -14.983 7.654 -5.670 1.00 54.43 H new ATOM 0 HB3 ARG A 21 -13.884 6.844 -6.768 1.00 54.43 H new ATOM 0 HG2 ARG A 21 -15.705 5.534 -7.129 1.00 54.21 H new ATOM 0 HG3 ARG A 21 -15.044 4.656 -5.763 1.00 54.21 H new ATOM 0 HD2 ARG A 21 -17.287 4.807 -5.162 1.00 42.23 H new ATOM 0 HD3 ARG A 21 -16.627 6.196 -4.321 1.00 42.23 H new ATOM 0 HE ARG A 21 -17.506 7.659 -6.043 1.00 70.21 H new ATOM 0 HH11 ARG A 21 -18.973 4.467 -5.865 1.00 34.45 H new ATOM 0 HH12 ARG A 21 -20.180 4.833 -7.102 1.00 34.45 H new ATOM 0 HH21 ARG A 21 -18.802 7.982 -7.894 1.00 12.15 H new ATOM 0 HH22 ARG A 21 -20.083 6.817 -8.248 1.00 12.15 H new ATOM 358 N LEU A 22 -14.580 5.262 -2.835 1.00 1.34 N ATOM 359 CA LEU A 22 -15.224 5.099 -1.533 1.00 4.24 C ATOM 360 C LEU A 22 -14.231 5.485 -0.448 1.00 32.33 C ATOM 361 O LEU A 22 -14.541 6.311 0.411 1.00 41.11 O ATOM 362 CB LEU A 22 -15.681 3.643 -1.327 1.00 2.41 C ATOM 363 CG LEU A 22 -16.138 3.308 0.108 1.00 51.21 C ATOM 364 CD1 LEU A 22 -17.426 4.053 0.473 1.00 65.42 C ATOM 365 CD2 LEU A 22 -16.336 1.800 0.228 1.00 31.43 C ATOM 0 H LEU A 22 -14.482 4.386 -3.348 1.00 1.34 H new ATOM 0 HA LEU A 22 -16.104 5.740 -1.485 1.00 4.24 H new ATOM 0 HB2 LEU A 22 -16.501 3.433 -2.013 1.00 2.41 H new ATOM 0 HB3 LEU A 22 -14.861 2.977 -1.597 1.00 2.41 H new ATOM 0 HG LEU A 22 -15.368 3.633 0.808 1.00 51.21 H new ATOM 0 HD11 LEU A 22 -17.720 3.794 1.490 1.00 65.42 H new ATOM 0 HD12 LEU A 22 -17.256 5.128 0.407 1.00 65.42 H new ATOM 0 HD13 LEU A 22 -18.220 3.768 -0.218 1.00 65.42 H new ATOM 0 HD21 LEU A 22 -16.659 1.555 1.240 1.00 31.43 H new ATOM 0 HD22 LEU A 22 -17.095 1.475 -0.484 1.00 31.43 H new ATOM 0 HD23 LEU A 22 -15.396 1.291 0.014 1.00 31.43 H new ATOM 377 N ILE A 23 -13.022 4.919 -0.471 1.00 51.04 N ATOM 378 CA ILE A 23 -12.044 5.256 0.548 1.00 24.52 C ATOM 379 C ILE A 23 -11.656 6.732 0.431 1.00 64.31 C ATOM 380 O ILE A 23 -11.494 7.396 1.452 1.00 63.11 O ATOM 381 CB ILE A 23 -10.907 4.217 0.590 1.00 30.23 C ATOM 382 CG1 ILE A 23 -10.613 3.802 2.046 1.00 30.23 C ATOM 383 CG2 ILE A 23 -9.622 4.687 -0.094 1.00 30.41 C ATOM 384 CD1 ILE A 23 -11.739 2.954 2.659 1.00 51.03 C ATOM 0 H ILE A 23 -12.708 4.243 -1.168 1.00 51.04 H new ATOM 0 HA ILE A 23 -12.468 5.179 1.549 1.00 24.52 H new ATOM 0 HB ILE A 23 -11.261 3.356 0.023 1.00 30.23 H new ATOM 0 HG12 ILE A 23 -9.681 3.238 2.078 1.00 30.23 H new ATOM 0 HG13 ILE A 23 -10.466 4.696 2.652 1.00 30.23 H new ATOM 0 HG21 ILE A 23 -8.866 3.905 -0.025 1.00 30.41 H new ATOM 0 HG22 ILE A 23 -9.826 4.903 -1.143 1.00 30.41 H new ATOM 0 HG23 ILE A 23 -9.257 5.589 0.398 1.00 30.41 H new ATOM 0 HD11 ILE A 23 -11.479 2.690 3.684 1.00 51.03 H new ATOM 0 HD12 ILE A 23 -12.668 3.525 2.656 1.00 51.03 H new ATOM 0 HD13 ILE A 23 -11.870 2.045 2.073 1.00 51.03 H new ATOM 396 N ARG A 24 -11.556 7.285 -0.787 1.00 74.32 N ATOM 397 CA ARG A 24 -11.233 8.703 -0.970 1.00 31.32 C ATOM 398 C ARG A 24 -12.392 9.548 -0.431 1.00 10.12 C ATOM 399 O ARG A 24 -12.188 10.700 -0.069 1.00 24.42 O ATOM 400 CB ARG A 24 -11.039 9.063 -2.459 1.00 4.33 C ATOM 401 CG ARG A 24 -9.903 8.351 -3.218 1.00 31.24 C ATOM 402 CD ARG A 24 -8.776 9.290 -3.662 1.00 3.05 C ATOM 403 NE ARG A 24 -7.837 9.581 -2.569 1.00 5.05 N ATOM 404 CZ ARG A 24 -6.958 10.592 -2.548 1.00 65.23 C ATOM 405 NH1 ARG A 24 -6.776 11.403 -3.580 1.00 4.13 N ATOM 406 NH2 ARG A 24 -6.223 10.797 -1.469 1.00 24.52 N ATOM 0 H ARG A 24 -11.694 6.771 -1.657 1.00 74.32 H new ATOM 0 HA ARG A 24 -10.303 8.903 -0.437 1.00 31.32 H new ATOM 0 HB2 ARG A 24 -11.974 8.856 -2.980 1.00 4.33 H new ATOM 0 HB3 ARG A 24 -10.868 10.137 -2.526 1.00 4.33 H new ATOM 0 HG2 ARG A 24 -9.485 7.572 -2.581 1.00 31.24 H new ATOM 0 HG3 ARG A 24 -10.319 7.856 -4.096 1.00 31.24 H new ATOM 0 HD2 ARG A 24 -8.235 8.839 -4.494 1.00 3.05 H new ATOM 0 HD3 ARG A 24 -9.205 10.222 -4.029 1.00 3.05 H new ATOM 0 HE ARG A 24 -7.856 8.961 -1.759 1.00 5.05 H new ATOM 0 HH11 ARG A 24 -7.317 11.270 -4.435 1.00 4.13 H new ATOM 0 HH12 ARG A 24 -6.095 12.160 -3.520 1.00 4.13 H new ATOM 0 HH21 ARG A 24 -6.327 10.187 -0.658 1.00 24.52 H new ATOM 0 HH22 ARG A 24 -5.552 11.565 -1.447 1.00 24.52 H new ATOM 420 N GLU A 25 -13.614 9.020 -0.394 1.00 41.01 N ATOM 421 CA GLU A 25 -14.791 9.720 0.083 1.00 41.10 C ATOM 422 C GLU A 25 -14.795 9.806 1.608 1.00 72.10 C ATOM 423 O GLU A 25 -14.888 10.912 2.137 1.00 12.43 O ATOM 424 CB GLU A 25 -16.046 9.068 -0.511 1.00 71.44 C ATOM 425 CG GLU A 25 -17.356 9.605 0.058 1.00 11.03 C ATOM 426 CD GLU A 25 -18.477 9.367 -0.940 1.00 65.10 C ATOM 427 OE1 GLU A 25 -18.531 10.087 -1.969 1.00 42.01 O ATOM 428 OE2 GLU A 25 -19.248 8.401 -0.760 1.00 52.32 O ATOM 0 H GLU A 25 -13.811 8.069 -0.704 1.00 41.01 H new ATOM 0 HA GLU A 25 -14.780 10.755 -0.260 1.00 41.10 H new ATOM 0 HB2 GLU A 25 -16.043 9.217 -1.591 1.00 71.44 H new ATOM 0 HB3 GLU A 25 -16.001 7.993 -0.337 1.00 71.44 H new ATOM 0 HG2 GLU A 25 -17.584 9.111 1.002 1.00 11.03 H new ATOM 0 HG3 GLU A 25 -17.263 10.670 0.270 1.00 11.03 H new ATOM 435 N GLN A 26 -14.673 8.675 2.312 1.00 21.23 N ATOM 436 CA GLN A 26 -14.661 8.647 3.781 1.00 51.34 C ATOM 437 C GLN A 26 -13.340 9.157 4.363 1.00 62.50 C ATOM 438 O GLN A 26 -13.303 9.655 5.490 1.00 4.21 O ATOM 439 CB GLN A 26 -14.985 7.252 4.319 1.00 43.23 C ATOM 440 CG GLN A 26 -13.977 6.174 3.931 1.00 53.42 C ATOM 441 CD GLN A 26 -14.406 4.818 4.466 1.00 64.14 C ATOM 442 OE1 GLN A 26 -13.976 4.418 5.538 1.00 53.03 O ATOM 443 NE2 GLN A 26 -15.260 4.108 3.745 1.00 30.31 N ATOM 0 H GLN A 26 -14.580 7.755 1.882 1.00 21.23 H new ATOM 0 HA GLN A 26 -15.445 9.330 4.108 1.00 51.34 H new ATOM 0 HB2 GLN A 26 -15.045 7.301 5.406 1.00 43.23 H new ATOM 0 HB3 GLN A 26 -15.970 6.957 3.958 1.00 43.23 H new ATOM 0 HG2 GLN A 26 -13.885 6.129 2.846 1.00 53.42 H new ATOM 0 HG3 GLN A 26 -12.993 6.431 4.324 1.00 53.42 H new ATOM 0 HE21 GLN A 26 -15.600 4.470 2.854 1.00 30.31 H new ATOM 0 HE22 GLN A 26 -15.578 3.199 4.080 1.00 30.31 H new ATOM 452 N HIS A 27 -12.238 9.017 3.626 1.00 53.23 N ATOM 453 CA HIS A 27 -10.915 9.455 4.027 1.00 61.31 C ATOM 454 C HIS A 27 -10.292 10.276 2.886 1.00 5.13 C ATOM 455 O HIS A 27 -9.346 9.820 2.238 1.00 50.34 O ATOM 456 CB HIS A 27 -10.042 8.259 4.438 1.00 74.21 C ATOM 457 CG HIS A 27 -10.441 7.557 5.710 1.00 42.34 C ATOM 458 ND1 HIS A 27 -10.443 8.119 6.968 1.00 45.42 N ATOM 459 CD2 HIS A 27 -10.725 6.224 5.845 1.00 3.23 C ATOM 460 CE1 HIS A 27 -10.733 7.145 7.844 1.00 65.30 C ATOM 461 NE2 HIS A 27 -10.888 5.974 7.210 1.00 64.54 N ATOM 0 H HIS A 27 -12.250 8.580 2.704 1.00 53.23 H new ATOM 0 HA HIS A 27 -10.986 10.095 4.907 1.00 61.31 H new ATOM 0 HB2 HIS A 27 -10.052 7.531 3.626 1.00 74.21 H new ATOM 0 HB3 HIS A 27 -9.014 8.604 4.544 1.00 74.21 H new ATOM 0 HD2 HIS A 27 -10.807 5.502 5.046 1.00 3.23 H new ATOM 0 HE1 HIS A 27 -10.828 7.285 8.911 1.00 65.30 H new ATOM 0 HE2 HIS A 27 -11.087 5.072 7.642 1.00 64.54 H new ATOM 469 N PRO A 28 -10.764 11.513 2.637 1.00 32.13 N ATOM 470 CA PRO A 28 -10.217 12.362 1.580 1.00 21.14 C ATOM 471 C PRO A 28 -8.799 12.828 1.915 1.00 52.12 C ATOM 472 O PRO A 28 -8.105 13.353 1.046 1.00 70.11 O ATOM 473 CB PRO A 28 -11.195 13.530 1.441 1.00 74.13 C ATOM 474 CG PRO A 28 -11.829 13.636 2.827 1.00 45.34 C ATOM 475 CD PRO A 28 -11.856 12.190 3.317 1.00 13.23 C ATOM 0 HA PRO A 28 -10.121 11.822 0.638 1.00 21.14 H new ATOM 0 HB2 PRO A 28 -10.682 14.451 1.163 1.00 74.13 H new ATOM 0 HB3 PRO A 28 -11.943 13.337 0.672 1.00 74.13 H new ATOM 0 HG2 PRO A 28 -11.243 14.273 3.489 1.00 45.34 H new ATOM 0 HG3 PRO A 28 -12.831 14.062 2.779 1.00 45.34 H new ATOM 0 HD2 PRO A 28 -11.730 12.143 4.399 1.00 13.23 H new ATOM 0 HD3 PRO A 28 -12.811 11.718 3.086 1.00 13.23 H new ATOM 483 N THR A 29 -8.369 12.617 3.159 1.00 53.04 N ATOM 484 CA THR A 29 -7.070 12.961 3.690 1.00 30.25 C ATOM 485 C THR A 29 -6.134 11.740 3.703 1.00 71.41 C ATOM 486 O THR A 29 -5.078 11.788 4.336 1.00 71.12 O ATOM 487 CB THR A 29 -7.273 13.579 5.077 1.00 30.33 C ATOM 488 OG1 THR A 29 -7.971 12.703 5.948 1.00 61.42 O ATOM 489 CG2 THR A 29 -8.060 14.889 5.008 1.00 33.24 C ATOM 0 H THR A 29 -8.964 12.173 3.859 1.00 53.04 H new ATOM 0 HA THR A 29 -6.576 13.694 3.052 1.00 30.25 H new ATOM 0 HB THR A 29 -6.271 13.768 5.463 1.00 30.33 H new ATOM 0 HG1 THR A 29 -8.080 13.130 6.823 1.00 61.42 H new ATOM 0 HG21 THR A 29 -8.182 15.294 6.013 1.00 33.24 H new ATOM 0 HG22 THR A 29 -7.519 15.606 4.391 1.00 33.24 H new ATOM 0 HG23 THR A 29 -9.041 14.702 4.571 1.00 33.24 H new ATOM 497 N LYS A 30 -6.519 10.615 3.074 1.00 54.43 N ATOM 498 CA LYS A 30 -5.698 9.412 2.999 1.00 21.33 C ATOM 499 C LYS A 30 -5.527 9.018 1.543 1.00 72.11 C ATOM 500 O LYS A 30 -6.449 9.117 0.727 1.00 33.12 O ATOM 501 CB LYS A 30 -6.293 8.239 3.790 1.00 21.55 C ATOM 502 CG LYS A 30 -6.211 8.345 5.327 1.00 24.42 C ATOM 503 CD LYS A 30 -4.755 8.526 5.786 1.00 51.02 C ATOM 504 CE LYS A 30 -4.372 7.976 7.162 1.00 13.25 C ATOM 505 NZ LYS A 30 -5.194 8.525 8.258 1.00 33.25 N ATOM 0 H LYS A 30 -7.419 10.523 2.602 1.00 54.43 H new ATOM 0 HA LYS A 30 -4.733 9.641 3.451 1.00 21.33 H new ATOM 0 HB2 LYS A 30 -7.341 8.132 3.509 1.00 21.55 H new ATOM 0 HB3 LYS A 30 -5.786 7.325 3.482 1.00 21.55 H new ATOM 0 HG2 LYS A 30 -6.812 9.187 5.670 1.00 24.42 H new ATOM 0 HG3 LYS A 30 -6.631 7.447 5.781 1.00 24.42 H new ATOM 0 HD2 LYS A 30 -4.108 8.057 5.045 1.00 51.02 H new ATOM 0 HD3 LYS A 30 -4.530 9.592 5.776 1.00 51.02 H new ATOM 0 HE2 LYS A 30 -4.470 6.890 7.152 1.00 13.25 H new ATOM 0 HE3 LYS A 30 -3.323 8.200 7.356 1.00 13.25 H new ATOM 0 HZ1 LYS A 30 -4.886 8.114 9.162 1.00 33.25 H new ATOM 0 HZ2 LYS A 30 -5.083 9.558 8.291 1.00 33.25 H new ATOM 0 HZ3 LYS A 30 -6.194 8.290 8.094 1.00 33.25 H new ATOM 519 N ILE A 31 -4.351 8.492 1.234 1.00 41.40 N ATOM 520 CA ILE A 31 -3.927 8.041 -0.071 1.00 23.45 C ATOM 521 C ILE A 31 -3.930 6.508 -0.034 1.00 24.23 C ATOM 522 O ILE A 31 -3.160 5.925 0.739 1.00 43.43 O ATOM 523 CB ILE A 31 -2.543 8.636 -0.412 1.00 70.30 C ATOM 524 CG1 ILE A 31 -2.634 10.184 -0.432 1.00 33.11 C ATOM 525 CG2 ILE A 31 -2.038 8.058 -1.743 1.00 34.54 C ATOM 526 CD1 ILE A 31 -1.539 10.912 -1.207 1.00 73.44 C ATOM 0 H ILE A 31 -3.625 8.363 1.939 1.00 41.40 H new ATOM 0 HA ILE A 31 -4.598 8.379 -0.861 1.00 23.45 H new ATOM 0 HB ILE A 31 -1.816 8.361 0.352 1.00 70.30 H new ATOM 0 HG12 ILE A 31 -3.598 10.465 -0.855 1.00 33.11 H new ATOM 0 HG13 ILE A 31 -2.621 10.542 0.598 1.00 33.11 H new ATOM 0 HG21 ILE A 31 -1.062 8.482 -1.977 1.00 34.54 H new ATOM 0 HG22 ILE A 31 -1.952 6.975 -1.660 1.00 34.54 H new ATOM 0 HG23 ILE A 31 -2.741 8.307 -2.538 1.00 34.54 H new ATOM 0 HD11 ILE A 31 -1.707 11.988 -1.150 1.00 73.44 H new ATOM 0 HD12 ILE A 31 -0.567 10.673 -0.775 1.00 73.44 H new ATOM 0 HD13 ILE A 31 -1.560 10.596 -2.250 1.00 73.44 H new ATOM 538 N PRO A 32 -4.796 5.852 -0.826 1.00 65.21 N ATOM 539 CA PRO A 32 -4.879 4.403 -0.901 1.00 2.14 C ATOM 540 C PRO A 32 -3.672 3.841 -1.666 1.00 2.15 C ATOM 541 O PRO A 32 -3.557 3.994 -2.887 1.00 33.22 O ATOM 542 CB PRO A 32 -6.211 4.118 -1.586 1.00 54.22 C ATOM 543 CG PRO A 32 -6.478 5.339 -2.461 1.00 54.11 C ATOM 544 CD PRO A 32 -5.749 6.468 -1.741 1.00 62.53 C ATOM 0 HA PRO A 32 -4.846 3.919 0.075 1.00 2.14 H new ATOM 0 HB2 PRO A 32 -6.160 3.208 -2.184 1.00 54.22 H new ATOM 0 HB3 PRO A 32 -7.007 3.975 -0.855 1.00 54.22 H new ATOM 0 HG2 PRO A 32 -6.097 5.198 -3.472 1.00 54.11 H new ATOM 0 HG3 PRO A 32 -7.545 5.543 -2.548 1.00 54.11 H new ATOM 0 HD2 PRO A 32 -5.235 7.111 -2.455 1.00 62.53 H new ATOM 0 HD3 PRO A 32 -6.454 7.096 -1.196 1.00 62.53 H new ATOM 552 N VAL A 33 -2.763 3.199 -0.936 1.00 10.13 N ATOM 553 CA VAL A 33 -1.548 2.599 -1.472 1.00 53.03 C ATOM 554 C VAL A 33 -1.671 1.079 -1.298 1.00 11.41 C ATOM 555 O VAL A 33 -2.332 0.582 -0.376 1.00 1.41 O ATOM 556 CB VAL A 33 -0.307 3.216 -0.782 1.00 3.12 C ATOM 557 CG1 VAL A 33 -0.185 2.832 0.698 1.00 72.13 C ATOM 558 CG2 VAL A 33 1.023 2.843 -1.452 1.00 45.30 C ATOM 0 H VAL A 33 -2.856 3.080 0.073 1.00 10.13 H new ATOM 0 HA VAL A 33 -1.419 2.805 -2.535 1.00 53.03 H new ATOM 0 HB VAL A 33 -0.480 4.288 -0.881 1.00 3.12 H new ATOM 0 HG11 VAL A 33 0.705 3.297 1.122 1.00 72.13 H new ATOM 0 HG12 VAL A 33 -1.067 3.177 1.237 1.00 72.13 H new ATOM 0 HG13 VAL A 33 -0.106 1.749 0.787 1.00 72.13 H new ATOM 0 HG21 VAL A 33 1.846 3.312 -0.913 1.00 45.30 H new ATOM 0 HG22 VAL A 33 1.148 1.760 -1.435 1.00 45.30 H new ATOM 0 HG23 VAL A 33 1.020 3.191 -2.485 1.00 45.30 H new ATOM 568 N ILE A 34 -1.043 0.345 -2.201 1.00 71.14 N ATOM 569 CA ILE A 34 -0.975 -1.097 -2.281 1.00 12.12 C ATOM 570 C ILE A 34 0.486 -1.404 -1.981 1.00 63.11 C ATOM 571 O ILE A 34 1.367 -0.870 -2.655 1.00 31.45 O ATOM 572 CB ILE A 34 -1.402 -1.554 -3.694 1.00 51.41 C ATOM 573 CG1 ILE A 34 -2.813 -1.060 -4.086 1.00 44.31 C ATOM 574 CG2 ILE A 34 -1.273 -3.076 -3.870 1.00 2.22 C ATOM 575 CD1 ILE A 34 -3.950 -1.488 -3.157 1.00 53.10 C ATOM 0 H ILE A 34 -0.524 0.785 -2.961 1.00 71.14 H new ATOM 0 HA ILE A 34 -1.638 -1.618 -1.591 1.00 12.12 H new ATOM 0 HB ILE A 34 -0.704 -1.081 -4.384 1.00 51.41 H new ATOM 0 HG12 ILE A 34 -2.797 0.029 -4.131 1.00 44.31 H new ATOM 0 HG13 ILE A 34 -3.036 -1.418 -5.091 1.00 44.31 H new ATOM 0 HG21 ILE A 34 -1.583 -3.353 -4.877 1.00 2.22 H new ATOM 0 HG22 ILE A 34 -0.236 -3.374 -3.715 1.00 2.22 H new ATOM 0 HG23 ILE A 34 -1.908 -3.582 -3.143 1.00 2.22 H new ATOM 0 HD11 ILE A 34 -4.893 -1.086 -3.527 1.00 53.10 H new ATOM 0 HD12 ILE A 34 -4.006 -2.576 -3.128 1.00 53.10 H new ATOM 0 HD13 ILE A 34 -3.762 -1.107 -2.153 1.00 53.10 H new ATOM 587 N ILE A 35 0.754 -2.203 -0.950 1.00 32.25 N ATOM 588 CA ILE A 35 2.111 -2.568 -0.561 1.00 11.32 C ATOM 589 C ILE A 35 2.168 -4.078 -0.703 1.00 23.53 C ATOM 590 O ILE A 35 1.522 -4.789 0.071 1.00 3.35 O ATOM 591 CB ILE A 35 2.480 -2.065 0.859 1.00 54.10 C ATOM 592 CG1 ILE A 35 2.004 -0.609 1.094 1.00 45.41 C ATOM 593 CG2 ILE A 35 4.004 -2.170 1.024 1.00 14.21 C ATOM 594 CD1 ILE A 35 2.334 -0.056 2.483 1.00 70.32 C ATOM 0 H ILE A 35 0.032 -2.616 -0.360 1.00 32.25 H new ATOM 0 HA ILE A 35 2.858 -2.089 -1.194 1.00 11.32 H new ATOM 0 HB ILE A 35 1.975 -2.683 1.601 1.00 54.10 H new ATOM 0 HG12 ILE A 35 2.458 0.036 0.342 1.00 45.41 H new ATOM 0 HG13 ILE A 35 0.925 -0.563 0.944 1.00 45.41 H new ATOM 0 HG21 ILE A 35 4.287 -1.821 2.017 1.00 14.21 H new ATOM 0 HG22 ILE A 35 4.312 -3.208 0.903 1.00 14.21 H new ATOM 0 HG23 ILE A 35 4.495 -1.555 0.270 1.00 14.21 H new ATOM 0 HD11 ILE A 35 1.967 0.967 2.564 1.00 70.32 H new ATOM 0 HD12 ILE A 35 1.857 -0.674 3.244 1.00 70.32 H new ATOM 0 HD13 ILE A 35 3.414 -0.067 2.632 1.00 70.32 H new ATOM 606 N GLU A 36 2.924 -4.561 -1.686 1.00 52.03 N ATOM 607 CA GLU A 36 3.074 -5.980 -1.967 1.00 51.33 C ATOM 608 C GLU A 36 4.552 -6.380 -1.899 1.00 31.54 C ATOM 609 O GLU A 36 5.457 -5.586 -2.176 1.00 62.43 O ATOM 610 CB GLU A 36 2.422 -6.260 -3.337 1.00 4.41 C ATOM 611 CG GLU A 36 2.148 -7.748 -3.582 1.00 24.24 C ATOM 612 CD GLU A 36 1.276 -7.996 -4.819 1.00 33.41 C ATOM 613 OE1 GLU A 36 0.032 -7.857 -4.747 1.00 45.44 O ATOM 614 OE2 GLU A 36 1.797 -8.471 -5.855 1.00 74.22 O ATOM 0 H GLU A 36 3.457 -3.964 -2.318 1.00 52.03 H new ATOM 0 HA GLU A 36 2.570 -6.593 -1.220 1.00 51.33 H new ATOM 0 HB2 GLU A 36 1.484 -5.708 -3.406 1.00 4.41 H new ATOM 0 HB3 GLU A 36 3.072 -5.882 -4.126 1.00 4.41 H new ATOM 0 HG2 GLU A 36 3.096 -8.273 -3.700 1.00 24.24 H new ATOM 0 HG3 GLU A 36 1.657 -8.171 -2.706 1.00 24.24 H new ATOM 621 N ARG A 37 4.803 -7.616 -1.477 1.00 62.43 N ATOM 622 CA ARG A 37 6.142 -8.165 -1.377 1.00 62.52 C ATOM 623 C ARG A 37 6.574 -8.544 -2.789 1.00 50.31 C ATOM 624 O ARG A 37 5.774 -9.128 -3.534 1.00 30.30 O ATOM 625 CB ARG A 37 6.107 -9.393 -0.459 1.00 33.23 C ATOM 626 CG ARG A 37 7.525 -9.930 -0.207 1.00 54.04 C ATOM 627 CD ARG A 37 7.571 -11.427 0.096 1.00 52.03 C ATOM 628 NE ARG A 37 6.918 -12.215 -0.960 1.00 31.41 N ATOM 629 CZ ARG A 37 6.826 -13.555 -1.011 1.00 1.41 C ATOM 630 NH1 ARG A 37 7.464 -14.323 -0.135 1.00 74.34 N ATOM 631 NH2 ARG A 37 6.076 -14.145 -1.932 1.00 53.12 N ATOM 0 H ARG A 37 4.071 -8.267 -1.193 1.00 62.43 H new ATOM 0 HA ARG A 37 6.848 -7.450 -0.954 1.00 62.52 H new ATOM 0 HB2 ARG A 37 5.640 -9.130 0.490 1.00 33.23 H new ATOM 0 HB3 ARG A 37 5.494 -10.172 -0.911 1.00 33.23 H new ATOM 0 HG2 ARG A 37 8.142 -9.727 -1.082 1.00 54.04 H new ATOM 0 HG3 ARG A 37 7.967 -9.386 0.628 1.00 54.04 H new ATOM 0 HD2 ARG A 37 8.608 -11.746 0.200 1.00 52.03 H new ATOM 0 HD3 ARG A 37 7.081 -11.621 1.050 1.00 52.03 H new ATOM 0 HE ARG A 37 6.494 -11.694 -1.728 1.00 31.41 H new ATOM 0 HH11 ARG A 37 8.037 -13.898 0.594 1.00 74.34 H new ATOM 0 HH12 ARG A 37 7.381 -15.338 -0.191 1.00 74.34 H new ATOM 0 HH21 ARG A 37 5.563 -13.581 -2.610 1.00 53.12 H new ATOM 0 HH22 ARG A 37 6.012 -15.163 -1.963 1.00 53.12 H new ATOM 645 N TYR A 38 7.808 -8.208 -3.174 1.00 74.25 N ATOM 646 CA TYR A 38 8.310 -8.567 -4.485 1.00 64.45 C ATOM 647 C TYR A 38 8.280 -10.093 -4.616 1.00 11.21 C ATOM 648 O TYR A 38 8.643 -10.799 -3.673 1.00 34.24 O ATOM 649 CB TYR A 38 9.724 -8.018 -4.667 1.00 51.21 C ATOM 650 CG TYR A 38 10.415 -8.455 -5.941 1.00 14.00 C ATOM 651 CD1 TYR A 38 9.773 -8.313 -7.187 1.00 30.10 C ATOM 652 CD2 TYR A 38 11.711 -9.000 -5.875 1.00 51.11 C ATOM 653 CE1 TYR A 38 10.432 -8.695 -8.366 1.00 33.31 C ATOM 654 CE2 TYR A 38 12.382 -9.369 -7.052 1.00 10.30 C ATOM 655 CZ TYR A 38 11.747 -9.203 -8.302 1.00 43.03 C ATOM 656 OH TYR A 38 12.405 -9.494 -9.455 1.00 1.32 O ATOM 0 H TYR A 38 8.468 -7.691 -2.594 1.00 74.25 H new ATOM 0 HA TYR A 38 7.686 -8.133 -5.266 1.00 64.45 H new ATOM 0 HB2 TYR A 38 9.681 -6.929 -4.649 1.00 51.21 H new ATOM 0 HB3 TYR A 38 10.331 -8.327 -3.816 1.00 51.21 H new ATOM 0 HD1 TYR A 38 8.772 -7.910 -7.235 1.00 30.10 H new ATOM 0 HD2 TYR A 38 12.191 -9.135 -4.917 1.00 51.11 H new ATOM 0 HE1 TYR A 38 9.934 -8.600 -9.320 1.00 33.31 H new ATOM 0 HE2 TYR A 38 13.380 -9.778 -7.001 1.00 10.30 H new ATOM 0 HH TYR A 38 13.300 -9.833 -9.244 1.00 1.32 H new ATOM 666 N LYS A 39 7.897 -10.616 -5.787 1.00 30.23 N ATOM 667 CA LYS A 39 7.845 -12.062 -6.016 1.00 5.11 C ATOM 668 C LYS A 39 9.212 -12.720 -5.790 1.00 30.20 C ATOM 669 O LYS A 39 9.262 -13.908 -5.468 1.00 23.24 O ATOM 670 CB LYS A 39 7.245 -12.403 -7.398 1.00 74.55 C ATOM 671 CG LYS A 39 8.239 -12.270 -8.567 1.00 54.22 C ATOM 672 CD LYS A 39 7.682 -12.718 -9.928 1.00 21.43 C ATOM 673 CE LYS A 39 6.826 -11.636 -10.594 1.00 42.04 C ATOM 674 NZ LYS A 39 6.524 -11.950 -12.008 1.00 21.33 N ATOM 0 H LYS A 39 7.618 -10.056 -6.592 1.00 30.23 H new ATOM 0 HA LYS A 39 7.169 -12.486 -5.274 1.00 5.11 H new ATOM 0 HB2 LYS A 39 6.863 -13.424 -7.374 1.00 74.55 H new ATOM 0 HB3 LYS A 39 6.393 -11.749 -7.584 1.00 74.55 H new ATOM 0 HG2 LYS A 39 8.556 -11.230 -8.642 1.00 54.22 H new ATOM 0 HG3 LYS A 39 9.128 -12.858 -8.341 1.00 54.22 H new ATOM 0 HD2 LYS A 39 8.509 -12.980 -10.588 1.00 21.43 H new ATOM 0 HD3 LYS A 39 7.084 -13.619 -9.794 1.00 21.43 H new ATOM 0 HE2 LYS A 39 5.893 -11.523 -10.042 1.00 42.04 H new ATOM 0 HE3 LYS A 39 7.346 -10.680 -10.540 1.00 42.04 H new ATOM 0 HZ1 LYS A 39 5.943 -11.190 -12.416 1.00 21.33 H new ATOM 0 HZ2 LYS A 39 7.412 -12.032 -12.543 1.00 21.33 H new ATOM 0 HZ3 LYS A 39 6.004 -12.849 -12.061 1.00 21.33 H new ATOM 688 N GLY A 40 10.303 -11.966 -5.950 1.00 12.32 N ATOM 689 CA GLY A 40 11.667 -12.429 -5.771 1.00 34.52 C ATOM 690 C GLY A 40 12.243 -12.072 -4.405 1.00 11.33 C ATOM 691 O GLY A 40 13.464 -12.010 -4.253 1.00 50.25 O ATOM 0 H GLY A 40 10.251 -10.983 -6.217 1.00 12.32 H new ATOM 0 HA2 GLY A 40 11.698 -13.511 -5.901 1.00 34.52 H new ATOM 0 HA3 GLY A 40 12.297 -11.997 -6.549 1.00 34.52 H new ATOM 695 N GLU A 41 11.406 -11.767 -3.412 1.00 2.00 N ATOM 696 CA GLU A 41 11.861 -11.432 -2.071 1.00 51.14 C ATOM 697 C GLU A 41 11.852 -12.698 -1.212 1.00 33.42 C ATOM 698 O GLU A 41 10.789 -13.251 -0.936 1.00 12.00 O ATOM 699 CB GLU A 41 11.006 -10.301 -1.502 1.00 51.41 C ATOM 700 CG GLU A 41 11.578 -9.737 -0.199 1.00 62.23 C ATOM 701 CD GLU A 41 13.110 -9.722 -0.201 1.00 14.10 C ATOM 702 OE1 GLU A 41 13.728 -9.000 -1.013 1.00 64.43 O ATOM 703 OE2 GLU A 41 13.674 -10.603 0.477 1.00 30.32 O ATOM 0 H GLU A 41 10.392 -11.747 -3.520 1.00 2.00 H new ATOM 0 HA GLU A 41 12.886 -11.062 -2.085 1.00 51.14 H new ATOM 0 HB2 GLU A 41 10.929 -9.501 -2.238 1.00 51.41 H new ATOM 0 HB3 GLU A 41 9.995 -10.668 -1.323 1.00 51.41 H new ATOM 0 HG2 GLU A 41 11.206 -8.723 -0.049 1.00 62.23 H new ATOM 0 HG3 GLU A 41 11.223 -10.334 0.641 1.00 62.23 H new ATOM 710 N LYS A 42 13.031 -13.178 -0.802 1.00 61.24 N ATOM 711 CA LYS A 42 13.191 -14.400 -0.008 1.00 42.04 C ATOM 712 C LYS A 42 13.658 -14.165 1.422 1.00 24.54 C ATOM 713 O LYS A 42 13.617 -15.104 2.216 1.00 50.15 O ATOM 714 CB LYS A 42 14.179 -15.359 -0.714 1.00 24.24 C ATOM 715 CG LYS A 42 13.597 -16.037 -1.961 1.00 53.15 C ATOM 716 CD LYS A 42 13.713 -15.237 -3.268 1.00 31.42 C ATOM 717 CE LYS A 42 14.861 -15.681 -4.183 1.00 63.25 C ATOM 718 NZ LYS A 42 16.202 -15.344 -3.664 1.00 25.11 N ATOM 0 H LYS A 42 13.916 -12.719 -1.017 1.00 61.24 H new ATOM 0 HA LYS A 42 12.195 -14.838 0.062 1.00 42.04 H new ATOM 0 HB2 LYS A 42 15.072 -14.802 -0.998 1.00 24.24 H new ATOM 0 HB3 LYS A 42 14.494 -16.127 -0.007 1.00 24.24 H new ATOM 0 HG2 LYS A 42 14.097 -16.996 -2.098 1.00 53.15 H new ATOM 0 HG3 LYS A 42 12.544 -16.250 -1.779 1.00 53.15 H new ATOM 0 HD2 LYS A 42 12.774 -15.321 -3.816 1.00 31.42 H new ATOM 0 HD3 LYS A 42 13.846 -14.183 -3.024 1.00 31.42 H new ATOM 0 HE2 LYS A 42 14.799 -16.759 -4.331 1.00 63.25 H new ATOM 0 HE3 LYS A 42 14.733 -15.218 -5.161 1.00 63.25 H new ATOM 0 HZ1 LYS A 42 16.926 -15.674 -4.333 1.00 25.11 H new ATOM 0 HZ2 LYS A 42 16.281 -14.313 -3.549 1.00 25.11 H new ATOM 0 HZ3 LYS A 42 16.345 -15.807 -2.744 1.00 25.11 H new ATOM 732 N GLN A 43 14.178 -12.990 1.764 1.00 25.30 N ATOM 733 CA GLN A 43 14.664 -12.693 3.106 1.00 2.41 C ATOM 734 C GLN A 43 13.711 -11.799 3.881 1.00 52.24 C ATOM 735 O GLN A 43 13.705 -11.883 5.104 1.00 24.32 O ATOM 736 CB GLN A 43 16.094 -12.134 3.080 1.00 30.43 C ATOM 737 CG GLN A 43 16.255 -10.884 2.199 1.00 61.43 C ATOM 738 CD GLN A 43 16.778 -11.146 0.775 1.00 24.32 C ATOM 739 OE1 GLN A 43 17.422 -10.284 0.195 1.00 4.44 O ATOM 740 NE2 GLN A 43 16.582 -12.315 0.163 1.00 34.22 N ATOM 0 H GLN A 43 14.274 -12.212 1.112 1.00 25.30 H new ATOM 0 HA GLN A 43 14.701 -13.639 3.646 1.00 2.41 H new ATOM 0 HB2 GLN A 43 16.398 -11.891 4.098 1.00 30.43 H new ATOM 0 HB3 GLN A 43 16.771 -12.909 2.722 1.00 30.43 H new ATOM 0 HG2 GLN A 43 15.289 -10.383 2.127 1.00 61.43 H new ATOM 0 HG3 GLN A 43 16.936 -10.194 2.697 1.00 61.43 H new ATOM 0 HE21 GLN A 43 16.048 -13.050 0.626 1.00 34.22 H new ATOM 0 HE22 GLN A 43 16.966 -12.474 -0.768 1.00 34.22 H new ATOM 749 N LEU A 44 12.955 -10.914 3.221 1.00 31.50 N ATOM 750 CA LEU A 44 12.030 -10.075 3.985 1.00 13.42 C ATOM 751 C LEU A 44 10.727 -10.867 4.156 1.00 30.23 C ATOM 752 O LEU A 44 10.377 -11.617 3.240 1.00 54.45 O ATOM 753 CB LEU A 44 11.764 -8.729 3.313 1.00 53.12 C ATOM 754 CG LEU A 44 13.001 -7.826 3.227 1.00 5.02 C ATOM 755 CD1 LEU A 44 12.715 -6.681 2.262 1.00 44.12 C ATOM 756 CD2 LEU A 44 13.393 -7.228 4.583 1.00 64.14 C ATOM 0 H LEU A 44 12.962 -10.764 2.212 1.00 31.50 H new ATOM 0 HA LEU A 44 12.475 -9.838 4.951 1.00 13.42 H new ATOM 0 HB2 LEU A 44 11.383 -8.905 2.307 1.00 53.12 H new ATOM 0 HB3 LEU A 44 10.982 -8.207 3.864 1.00 53.12 H new ATOM 0 HG LEU A 44 13.829 -8.445 2.882 1.00 5.02 H new ATOM 0 HD11 LEU A 44 13.590 -6.034 2.195 1.00 44.12 H new ATOM 0 HD12 LEU A 44 12.486 -7.085 1.276 1.00 44.12 H new ATOM 0 HD13 LEU A 44 11.864 -6.104 2.624 1.00 44.12 H new ATOM 0 HD21 LEU A 44 14.274 -6.598 4.462 1.00 64.14 H new ATOM 0 HD22 LEU A 44 12.568 -6.628 4.968 1.00 64.14 H new ATOM 0 HD23 LEU A 44 13.615 -8.032 5.285 1.00 64.14 H new ATOM 768 N PRO A 45 9.995 -10.718 5.273 1.00 53.35 N ATOM 769 CA PRO A 45 8.759 -11.445 5.504 1.00 33.44 C ATOM 770 C PRO A 45 7.611 -10.873 4.669 1.00 25.44 C ATOM 771 O PRO A 45 7.655 -9.719 4.224 1.00 1.21 O ATOM 772 CB PRO A 45 8.494 -11.312 7.011 1.00 51.22 C ATOM 773 CG PRO A 45 9.169 -10.000 7.415 1.00 12.24 C ATOM 774 CD PRO A 45 10.311 -9.861 6.399 1.00 72.12 C ATOM 0 HA PRO A 45 8.837 -12.490 5.203 1.00 33.44 H new ATOM 0 HB2 PRO A 45 7.425 -11.288 7.224 1.00 51.22 H new ATOM 0 HB3 PRO A 45 8.910 -12.156 7.561 1.00 51.22 H new ATOM 0 HG2 PRO A 45 8.478 -9.159 7.360 1.00 12.24 H new ATOM 0 HG3 PRO A 45 9.544 -10.039 8.438 1.00 12.24 H new ATOM 0 HD2 PRO A 45 10.414 -8.825 6.076 1.00 72.12 H new ATOM 0 HD3 PRO A 45 11.261 -10.151 6.847 1.00 72.12 H new ATOM 782 N VAL A 46 6.585 -11.695 4.448 1.00 64.51 N ATOM 783 CA VAL A 46 5.384 -11.335 3.707 1.00 34.52 C ATOM 784 C VAL A 46 4.619 -10.345 4.591 1.00 13.20 C ATOM 785 O VAL A 46 4.557 -10.514 5.813 1.00 54.43 O ATOM 786 CB VAL A 46 4.555 -12.608 3.411 1.00 5.40 C ATOM 787 CG1 VAL A 46 3.227 -12.300 2.703 1.00 44.01 C ATOM 788 CG2 VAL A 46 5.333 -13.584 2.516 1.00 72.31 C ATOM 0 H VAL A 46 6.570 -12.656 4.791 1.00 64.51 H new ATOM 0 HA VAL A 46 5.611 -10.879 2.743 1.00 34.52 H new ATOM 0 HB VAL A 46 4.352 -13.051 4.386 1.00 5.40 H new ATOM 0 HG11 VAL A 46 2.688 -13.230 2.521 1.00 44.01 H new ATOM 0 HG12 VAL A 46 2.622 -11.647 3.332 1.00 44.01 H new ATOM 0 HG13 VAL A 46 3.427 -11.804 1.753 1.00 44.01 H new ATOM 0 HG21 VAL A 46 4.724 -14.468 2.326 1.00 72.31 H new ATOM 0 HG22 VAL A 46 5.572 -13.098 1.570 1.00 72.31 H new ATOM 0 HG23 VAL A 46 6.256 -13.879 3.016 1.00 72.31 H new ATOM 798 N LEU A 47 4.079 -9.280 3.999 1.00 70.14 N ATOM 799 CA LEU A 47 3.319 -8.274 4.727 1.00 3.00 C ATOM 800 C LEU A 47 1.986 -8.920 5.124 1.00 5.10 C ATOM 801 O LEU A 47 1.391 -9.627 4.313 1.00 41.12 O ATOM 802 CB LEU A 47 3.109 -7.035 3.836 1.00 64.11 C ATOM 803 CG LEU A 47 3.346 -5.689 4.537 1.00 44.23 C ATOM 804 CD1 LEU A 47 3.038 -4.537 3.593 1.00 25.15 C ATOM 805 CD2 LEU A 47 2.540 -5.558 5.835 1.00 24.54 C ATOM 0 H LEU A 47 4.158 -9.094 2.999 1.00 70.14 H new ATOM 0 HA LEU A 47 3.846 -7.938 5.620 1.00 3.00 H new ATOM 0 HB2 LEU A 47 3.778 -7.104 2.978 1.00 64.11 H new ATOM 0 HB3 LEU A 47 2.090 -7.052 3.448 1.00 64.11 H new ATOM 0 HG LEU A 47 4.400 -5.649 4.812 1.00 44.23 H new ATOM 0 HD11 LEU A 47 3.211 -3.591 4.105 1.00 25.15 H new ATOM 0 HD12 LEU A 47 3.686 -4.600 2.719 1.00 25.15 H new ATOM 0 HD13 LEU A 47 1.996 -4.594 3.278 1.00 25.15 H new ATOM 0 HD21 LEU A 47 2.742 -4.590 6.293 1.00 24.54 H new ATOM 0 HD22 LEU A 47 1.476 -5.639 5.612 1.00 24.54 H new ATOM 0 HD23 LEU A 47 2.828 -6.352 6.524 1.00 24.54 H new ATOM 817 N ASP A 48 1.488 -8.649 6.331 1.00 50.03 N ATOM 818 CA ASP A 48 0.235 -9.222 6.840 1.00 2.33 C ATOM 819 C ASP A 48 -1.044 -8.809 6.090 1.00 63.33 C ATOM 820 O ASP A 48 -2.098 -9.415 6.289 1.00 43.31 O ATOM 821 CB ASP A 48 0.125 -8.823 8.308 1.00 24.20 C ATOM 822 CG ASP A 48 -1.113 -9.385 8.989 1.00 44.03 C ATOM 823 OD1 ASP A 48 -1.113 -10.595 9.306 1.00 43.05 O ATOM 824 OD2 ASP A 48 -2.003 -8.584 9.357 1.00 41.33 O ATOM 0 H ASP A 48 1.945 -8.020 6.991 1.00 50.03 H new ATOM 0 HA ASP A 48 0.294 -10.300 6.689 1.00 2.33 H new ATOM 0 HB2 ASP A 48 1.012 -9.168 8.839 1.00 24.20 H new ATOM 0 HB3 ASP A 48 0.111 -7.736 8.382 1.00 24.20 H new ATOM 829 N LYS A 49 -0.994 -7.737 5.298 1.00 21.35 N ATOM 830 CA LYS A 49 -2.103 -7.216 4.500 1.00 51.00 C ATOM 831 C LYS A 49 -1.531 -6.545 3.259 1.00 50.43 C ATOM 832 O LYS A 49 -0.307 -6.437 3.144 1.00 4.33 O ATOM 833 CB LYS A 49 -3.063 -6.324 5.306 1.00 23.11 C ATOM 834 CG LYS A 49 -2.445 -5.222 6.183 1.00 53.11 C ATOM 835 CD LYS A 49 -2.468 -5.587 7.675 1.00 25.52 C ATOM 836 CE LYS A 49 -3.909 -5.679 8.207 1.00 72.14 C ATOM 837 NZ LYS A 49 -4.041 -6.663 9.299 1.00 25.13 N ATOM 0 H LYS A 49 -0.143 -7.185 5.191 1.00 21.35 H new ATOM 0 HA LYS A 49 -2.738 -8.043 4.183 1.00 51.00 H new ATOM 0 HB2 LYS A 49 -3.749 -5.850 4.605 1.00 23.11 H new ATOM 0 HB3 LYS A 49 -3.661 -6.970 5.949 1.00 23.11 H new ATOM 0 HG2 LYS A 49 -1.416 -5.045 5.870 1.00 53.11 H new ATOM 0 HG3 LYS A 49 -2.990 -4.290 6.030 1.00 53.11 H new ATOM 0 HD2 LYS A 49 -1.961 -6.540 7.826 1.00 25.52 H new ATOM 0 HD3 LYS A 49 -1.916 -4.838 8.243 1.00 25.52 H new ATOM 0 HE2 LYS A 49 -4.225 -4.699 8.564 1.00 72.14 H new ATOM 0 HE3 LYS A 49 -4.578 -5.953 7.391 1.00 72.14 H new ATOM 0 HZ1 LYS A 49 -4.999 -7.068 9.287 1.00 25.13 H new ATOM 0 HZ2 LYS A 49 -3.342 -7.422 9.168 1.00 25.13 H new ATOM 0 HZ3 LYS A 49 -3.875 -6.193 10.212 1.00 25.13 H new ATOM 851 N THR A 50 -2.382 -6.054 2.361 1.00 61.33 N ATOM 852 CA THR A 50 -1.942 -5.434 1.114 1.00 34.15 C ATOM 853 C THR A 50 -2.512 -4.017 0.897 1.00 61.51 C ATOM 854 O THR A 50 -1.860 -3.230 0.205 1.00 62.10 O ATOM 855 CB THR A 50 -2.187 -6.438 -0.041 1.00 31.13 C ATOM 856 OG1 THR A 50 -1.944 -7.777 0.371 1.00 34.23 O ATOM 857 CG2 THR A 50 -1.289 -6.203 -1.260 1.00 42.04 C ATOM 0 H THR A 50 -3.395 -6.075 2.477 1.00 61.33 H new ATOM 0 HA THR A 50 -0.871 -5.235 1.155 1.00 34.15 H new ATOM 0 HB THR A 50 -3.230 -6.278 -0.314 1.00 31.13 H new ATOM 0 HG1 THR A 50 -2.109 -8.385 -0.379 1.00 34.23 H new ATOM 0 HG21 THR A 50 -1.517 -6.943 -2.028 1.00 42.04 H new ATOM 0 HG22 THR A 50 -1.467 -5.203 -1.656 1.00 42.04 H new ATOM 0 HG23 THR A 50 -0.244 -6.296 -0.965 1.00 42.04 H new ATOM 865 N LYS A 51 -3.697 -3.662 1.422 1.00 13.24 N ATOM 866 CA LYS A 51 -4.290 -2.321 1.252 1.00 33.41 C ATOM 867 C LYS A 51 -3.913 -1.437 2.446 1.00 3.22 C ATOM 868 O LYS A 51 -4.080 -1.851 3.593 1.00 14.23 O ATOM 869 CB LYS A 51 -5.825 -2.414 1.150 1.00 12.43 C ATOM 870 CG LYS A 51 -6.359 -3.222 -0.042 1.00 73.30 C ATOM 871 CD LYS A 51 -7.885 -3.394 -0.046 1.00 12.33 C ATOM 872 CE LYS A 51 -8.644 -2.064 -0.116 1.00 24.52 C ATOM 873 NZ LYS A 51 -10.082 -2.258 -0.384 1.00 25.34 N ATOM 0 H LYS A 51 -4.272 -4.296 1.977 1.00 13.24 H new ATOM 0 HA LYS A 51 -3.903 -1.885 0.331 1.00 33.41 H new ATOM 0 HB2 LYS A 51 -6.207 -2.859 2.069 1.00 12.43 H new ATOM 0 HB3 LYS A 51 -6.230 -1.404 1.093 1.00 12.43 H new ATOM 0 HG2 LYS A 51 -6.057 -2.730 -0.966 1.00 73.30 H new ATOM 0 HG3 LYS A 51 -5.893 -4.207 -0.038 1.00 73.30 H new ATOM 0 HD2 LYS A 51 -8.172 -4.013 -0.896 1.00 12.33 H new ATOM 0 HD3 LYS A 51 -8.186 -3.929 0.855 1.00 12.33 H new ATOM 0 HE2 LYS A 51 -8.520 -1.527 0.824 1.00 24.52 H new ATOM 0 HE3 LYS A 51 -8.211 -1.441 -0.898 1.00 24.52 H new ATOM 0 HZ1 LYS A 51 -10.584 -1.356 -0.256 1.00 25.34 H new ATOM 0 HZ2 LYS A 51 -10.211 -2.591 -1.361 1.00 25.34 H new ATOM 0 HZ3 LYS A 51 -10.466 -2.964 0.276 1.00 25.34 H new ATOM 887 N PHE A 52 -3.442 -0.209 2.215 1.00 11.34 N ATOM 888 CA PHE A 52 -3.049 0.707 3.286 1.00 61.31 C ATOM 889 C PHE A 52 -3.510 2.139 2.985 1.00 44.03 C ATOM 890 O PHE A 52 -3.816 2.474 1.839 1.00 21.12 O ATOM 891 CB PHE A 52 -1.526 0.701 3.482 1.00 70.42 C ATOM 892 CG PHE A 52 -0.827 -0.576 3.887 1.00 11.22 C ATOM 893 CD1 PHE A 52 -0.798 -1.691 3.034 1.00 61.33 C ATOM 894 CD2 PHE A 52 -0.149 -0.624 5.121 1.00 12.14 C ATOM 895 CE1 PHE A 52 -0.238 -2.896 3.477 1.00 5.03 C ATOM 896 CE2 PHE A 52 0.428 -1.824 5.561 1.00 65.51 C ATOM 897 CZ PHE A 52 0.333 -2.968 4.756 1.00 51.22 C ATOM 0 H PHE A 52 -3.323 0.178 1.279 1.00 11.34 H new ATOM 0 HA PHE A 52 -3.532 0.361 4.200 1.00 61.31 H new ATOM 0 HB2 PHE A 52 -1.076 1.036 2.547 1.00 70.42 H new ATOM 0 HB3 PHE A 52 -1.292 1.453 4.235 1.00 70.42 H new ATOM 0 HD1 PHE A 52 -1.207 -1.620 2.037 1.00 61.33 H new ATOM 0 HD2 PHE A 52 -0.073 0.265 5.729 1.00 12.14 H new ATOM 0 HE1 PHE A 52 -0.246 -3.766 2.837 1.00 5.03 H new ATOM 0 HE2 PHE A 52 0.941 -1.867 6.511 1.00 65.51 H new ATOM 0 HZ PHE A 52 0.703 -3.913 5.124 1.00 51.22 H new ATOM 907 N LEU A 53 -3.527 3.012 4.001 1.00 70.50 N ATOM 908 CA LEU A 53 -3.945 4.417 3.898 1.00 3.13 C ATOM 909 C LEU A 53 -2.895 5.347 4.519 1.00 62.31 C ATOM 910 O LEU A 53 -2.738 5.368 5.745 1.00 54.31 O ATOM 911 CB LEU A 53 -5.314 4.599 4.584 1.00 2.24 C ATOM 912 CG LEU A 53 -6.500 4.034 3.785 1.00 71.11 C ATOM 913 CD1 LEU A 53 -7.730 3.926 4.692 1.00 21.41 C ATOM 914 CD2 LEU A 53 -6.867 4.835 2.532 1.00 34.43 C ATOM 0 H LEU A 53 -3.242 2.753 4.945 1.00 70.50 H new ATOM 0 HA LEU A 53 -4.038 4.682 2.845 1.00 3.13 H new ATOM 0 HB2 LEU A 53 -5.285 4.116 5.561 1.00 2.24 H new ATOM 0 HB3 LEU A 53 -5.482 5.662 4.759 1.00 2.24 H new ATOM 0 HG LEU A 53 -6.176 3.054 3.434 1.00 71.11 H new ATOM 0 HD11 LEU A 53 -8.568 3.525 4.122 1.00 21.41 H new ATOM 0 HD12 LEU A 53 -7.509 3.262 5.528 1.00 21.41 H new ATOM 0 HD13 LEU A 53 -7.989 4.914 5.073 1.00 21.41 H new ATOM 0 HD21 LEU A 53 -7.713 4.363 2.033 1.00 34.43 H new ATOM 0 HD22 LEU A 53 -7.135 5.853 2.816 1.00 34.43 H new ATOM 0 HD23 LEU A 53 -6.014 4.861 1.854 1.00 34.43 H new ATOM 926 N VAL A 54 -2.146 6.095 3.694 1.00 21.55 N ATOM 927 CA VAL A 54 -1.101 7.040 4.131 1.00 54.03 C ATOM 928 C VAL A 54 -1.675 8.456 4.056 1.00 10.33 C ATOM 929 O VAL A 54 -2.319 8.752 3.055 1.00 70.12 O ATOM 930 CB VAL A 54 0.145 7.032 3.194 1.00 22.33 C ATOM 931 CG1 VAL A 54 1.375 7.502 3.973 1.00 42.12 C ATOM 932 CG2 VAL A 54 0.509 5.714 2.500 1.00 12.24 C ATOM 0 H VAL A 54 -2.251 6.060 2.680 1.00 21.55 H new ATOM 0 HA VAL A 54 -0.799 6.743 5.135 1.00 54.03 H new ATOM 0 HB VAL A 54 -0.152 7.703 2.388 1.00 22.33 H new ATOM 0 HG11 VAL A 54 2.245 7.496 3.317 1.00 42.12 H new ATOM 0 HG12 VAL A 54 1.207 8.513 4.343 1.00 42.12 H new ATOM 0 HG13 VAL A 54 1.550 6.832 4.815 1.00 42.12 H new ATOM 0 HG21 VAL A 54 1.395 5.861 1.882 1.00 12.24 H new ATOM 0 HG22 VAL A 54 0.713 4.951 3.252 1.00 12.24 H new ATOM 0 HG23 VAL A 54 -0.322 5.392 1.872 1.00 12.24 H new ATOM 942 N PRO A 55 -1.541 9.319 5.075 1.00 14.02 N ATOM 943 CA PRO A 55 -2.055 10.678 4.963 1.00 43.34 C ATOM 944 C PRO A 55 -1.162 11.408 3.950 1.00 61.30 C ATOM 945 O PRO A 55 0.045 11.180 3.945 1.00 42.20 O ATOM 946 CB PRO A 55 -2.030 11.251 6.375 1.00 45.02 C ATOM 947 CG PRO A 55 -0.944 10.441 7.086 1.00 54.33 C ATOM 948 CD PRO A 55 -0.834 9.121 6.327 1.00 50.21 C ATOM 0 HA PRO A 55 -3.077 10.765 4.594 1.00 43.34 H new ATOM 0 HB2 PRO A 55 -1.794 12.315 6.369 1.00 45.02 H new ATOM 0 HB3 PRO A 55 -2.996 11.141 6.867 1.00 45.02 H new ATOM 0 HG2 PRO A 55 0.007 10.974 7.080 1.00 54.33 H new ATOM 0 HG3 PRO A 55 -1.207 10.269 8.130 1.00 54.33 H new ATOM 0 HD2 PRO A 55 0.209 8.859 6.149 1.00 50.21 H new ATOM 0 HD3 PRO A 55 -1.274 8.304 6.899 1.00 50.21 H new ATOM 956 N ASP A 56 -1.707 12.314 3.136 1.00 50.30 N ATOM 957 CA ASP A 56 -0.919 13.006 2.103 1.00 30.14 C ATOM 958 C ASP A 56 0.245 13.869 2.593 1.00 13.32 C ATOM 959 O ASP A 56 1.155 14.127 1.809 1.00 21.14 O ATOM 960 CB ASP A 56 -1.816 13.783 1.136 1.00 30.42 C ATOM 961 CG ASP A 56 -2.470 15.015 1.742 1.00 61.42 C ATOM 962 OD1 ASP A 56 -3.596 14.864 2.266 1.00 74.53 O ATOM 963 OD2 ASP A 56 -1.925 16.139 1.616 1.00 14.22 O ATOM 0 H ASP A 56 -2.689 12.588 3.168 1.00 50.30 H new ATOM 0 HA ASP A 56 -0.430 12.189 1.573 1.00 30.14 H new ATOM 0 HB2 ASP A 56 -1.223 14.088 0.274 1.00 30.42 H new ATOM 0 HB3 ASP A 56 -2.596 13.117 0.767 1.00 30.42 H new ATOM 968 N HIS A 57 0.265 14.294 3.858 1.00 32.43 N ATOM 969 CA HIS A 57 1.364 15.108 4.377 1.00 22.21 C ATOM 970 C HIS A 57 2.599 14.269 4.753 1.00 11.31 C ATOM 971 O HIS A 57 3.688 14.829 4.915 1.00 54.04 O ATOM 972 CB HIS A 57 0.876 15.909 5.596 1.00 70.42 C ATOM 973 CG HIS A 57 0.341 15.080 6.738 1.00 42.23 C ATOM 974 ND1 HIS A 57 -0.988 14.884 7.041 1.00 10.34 N ATOM 975 CD2 HIS A 57 1.083 14.439 7.694 1.00 25.52 C ATOM 976 CE1 HIS A 57 -1.039 14.149 8.159 1.00 24.43 C ATOM 977 NE2 HIS A 57 0.194 13.838 8.592 1.00 30.32 N ATOM 0 H HIS A 57 -0.465 14.088 4.540 1.00 32.43 H new ATOM 0 HA HIS A 57 1.675 15.785 3.582 1.00 22.21 H new ATOM 0 HB2 HIS A 57 1.702 16.517 5.965 1.00 70.42 H new ATOM 0 HB3 HIS A 57 0.095 16.596 5.270 1.00 70.42 H new ATOM 0 HD2 HIS A 57 2.161 14.404 7.746 1.00 25.52 H new ATOM 0 HE1 HIS A 57 -1.952 13.846 8.649 1.00 24.43 H new ATOM 0 HE2 HIS A 57 0.434 13.277 9.410 1.00 30.32 H new ATOM 985 N VAL A 58 2.444 12.954 4.929 1.00 1.15 N ATOM 986 CA VAL A 58 3.514 12.044 5.317 1.00 3.04 C ATOM 987 C VAL A 58 4.489 11.780 4.164 1.00 63.24 C ATOM 988 O VAL A 58 4.080 11.472 3.045 1.00 13.01 O ATOM 989 CB VAL A 58 2.861 10.763 5.899 1.00 5.44 C ATOM 990 CG1 VAL A 58 3.599 9.447 5.630 1.00 10.24 C ATOM 991 CG2 VAL A 58 2.641 10.913 7.413 1.00 73.24 C ATOM 0 H VAL A 58 1.547 12.486 4.801 1.00 1.15 H new ATOM 0 HA VAL A 58 4.138 12.493 6.090 1.00 3.04 H new ATOM 0 HB VAL A 58 1.917 10.683 5.359 1.00 5.44 H new ATOM 0 HG11 VAL A 58 3.050 8.622 6.084 1.00 10.24 H new ATOM 0 HG12 VAL A 58 3.674 9.285 4.555 1.00 10.24 H new ATOM 0 HG13 VAL A 58 4.600 9.497 6.060 1.00 10.24 H new ATOM 0 HG21 VAL A 58 2.182 10.006 7.806 1.00 73.24 H new ATOM 0 HG22 VAL A 58 3.599 11.077 7.905 1.00 73.24 H new ATOM 0 HG23 VAL A 58 1.985 11.763 7.603 1.00 73.24 H new ATOM 1001 N ASN A 59 5.795 11.887 4.426 1.00 41.40 N ATOM 1002 CA ASN A 59 6.819 11.621 3.409 1.00 24.23 C ATOM 1003 C ASN A 59 7.200 10.147 3.370 1.00 12.25 C ATOM 1004 O ASN A 59 7.027 9.415 4.345 1.00 24.13 O ATOM 1005 CB ASN A 59 8.089 12.484 3.536 1.00 13.13 C ATOM 1006 CG ASN A 59 8.881 12.468 4.823 1.00 45.42 C ATOM 1007 OD1 ASN A 59 8.547 11.660 5.801 1.00 44.22 O flip ATOM 1008 ND2 ASN A 59 9.889 13.158 4.933 1.00 65.11 N flip ATOM 0 H ASN A 59 6.170 12.157 5.336 1.00 41.40 H new ATOM 0 HA ASN A 59 6.347 11.905 2.469 1.00 24.23 H new ATOM 0 HB2 ASN A 59 8.765 12.188 2.734 1.00 13.13 H new ATOM 0 HB3 ASN A 59 7.801 13.518 3.344 1.00 13.13 H new ATOM 0 HD21 ASN A 59 10.159 13.790 4.179 1.00 65.11 H new ATOM 0 HD22 ASN A 59 10.457 13.100 5.778 1.00 65.11 H new ATOM 1015 N MET A 60 7.800 9.729 2.254 1.00 70.31 N ATOM 1016 CA MET A 60 8.248 8.359 2.026 1.00 74.53 C ATOM 1017 C MET A 60 9.148 7.873 3.175 1.00 74.31 C ATOM 1018 O MET A 60 8.987 6.750 3.640 1.00 25.52 O ATOM 1019 CB MET A 60 8.907 8.250 0.639 1.00 25.31 C ATOM 1020 CG MET A 60 7.858 8.236 -0.477 1.00 50.12 C ATOM 1021 SD MET A 60 6.878 6.712 -0.563 1.00 63.30 S ATOM 1022 CE MET A 60 7.966 5.703 -1.607 1.00 52.02 C ATOM 0 H MET A 60 7.991 10.350 1.467 1.00 70.31 H new ATOM 0 HA MET A 60 7.389 7.688 2.023 1.00 74.53 H new ATOM 0 HB2 MET A 60 9.587 9.088 0.491 1.00 25.31 H new ATOM 0 HB3 MET A 60 9.506 7.341 0.589 1.00 25.31 H new ATOM 0 HG2 MET A 60 7.183 9.080 -0.336 1.00 50.12 H new ATOM 0 HG3 MET A 60 8.360 8.386 -1.433 1.00 50.12 H new ATOM 0 HE1 MET A 60 7.514 4.723 -1.763 1.00 52.02 H new ATOM 0 HE2 MET A 60 8.106 6.196 -2.569 1.00 52.02 H new ATOM 0 HE3 MET A 60 8.932 5.583 -1.116 1.00 52.02 H new ATOM 1032 N SER A 61 9.995 8.737 3.737 1.00 23.25 N ATOM 1033 CA SER A 61 10.919 8.457 4.833 1.00 3.14 C ATOM 1034 C SER A 61 10.176 7.858 6.034 1.00 21.44 C ATOM 1035 O SER A 61 10.517 6.772 6.527 1.00 5.23 O ATOM 1036 CB SER A 61 11.634 9.779 5.169 1.00 33.44 C ATOM 1037 OG SER A 61 12.792 9.617 5.963 1.00 21.23 O ATOM 0 H SER A 61 10.057 9.705 3.420 1.00 23.25 H new ATOM 0 HA SER A 61 11.659 7.709 4.549 1.00 3.14 H new ATOM 0 HB2 SER A 61 11.909 10.278 4.240 1.00 33.44 H new ATOM 0 HB3 SER A 61 10.937 10.436 5.690 1.00 33.44 H new ATOM 0 HG SER A 61 13.195 10.493 6.136 1.00 21.23 H new ATOM 1043 N GLU A 62 9.194 8.586 6.567 1.00 65.42 N ATOM 1044 CA GLU A 62 8.396 8.138 7.695 1.00 25.24 C ATOM 1045 C GLU A 62 7.455 6.997 7.295 1.00 2.05 C ATOM 1046 O GLU A 62 7.189 6.129 8.120 1.00 51.01 O ATOM 1047 CB GLU A 62 7.739 9.283 8.456 1.00 51.32 C ATOM 1048 CG GLU A 62 6.493 9.801 7.764 1.00 10.13 C ATOM 1049 CD GLU A 62 6.177 11.219 8.191 1.00 54.31 C ATOM 1050 OE1 GLU A 62 5.979 11.439 9.406 1.00 41.43 O ATOM 1051 OE2 GLU A 62 6.129 12.083 7.290 1.00 13.33 O ATOM 0 H GLU A 62 8.933 9.509 6.221 1.00 65.42 H new ATOM 0 HA GLU A 62 9.074 7.707 8.431 1.00 25.24 H new ATOM 0 HB2 GLU A 62 7.480 8.946 9.460 1.00 51.32 H new ATOM 0 HB3 GLU A 62 8.454 10.098 8.568 1.00 51.32 H new ATOM 0 HG2 GLU A 62 6.633 9.767 6.684 1.00 10.13 H new ATOM 0 HG3 GLU A 62 5.649 9.152 7.996 1.00 10.13 H new ATOM 1058 N LEU A 63 6.900 7.009 6.075 1.00 10.05 N ATOM 1059 CA LEU A 63 6.016 5.956 5.560 1.00 41.40 C ATOM 1060 C LEU A 63 6.781 4.630 5.686 1.00 41.01 C ATOM 1061 O LEU A 63 6.286 3.679 6.295 1.00 71.41 O ATOM 1062 CB LEU A 63 5.588 6.325 4.117 1.00 11.21 C ATOM 1063 CG LEU A 63 4.968 5.268 3.178 1.00 24.43 C ATOM 1064 CD1 LEU A 63 5.967 4.292 2.552 1.00 72.23 C ATOM 1065 CD2 LEU A 63 3.834 4.490 3.833 1.00 10.04 C ATOM 0 H LEU A 63 7.056 7.764 5.407 1.00 10.05 H new ATOM 0 HA LEU A 63 5.088 5.852 6.122 1.00 41.40 H new ATOM 0 HB2 LEU A 63 4.871 7.142 4.196 1.00 11.21 H new ATOM 0 HB3 LEU A 63 6.470 6.722 3.614 1.00 11.21 H new ATOM 0 HG LEU A 63 4.566 5.869 2.362 1.00 24.43 H new ATOM 0 HD11 LEU A 63 5.436 3.590 1.910 1.00 72.23 H new ATOM 0 HD12 LEU A 63 6.695 4.846 1.960 1.00 72.23 H new ATOM 0 HD13 LEU A 63 6.483 3.744 3.340 1.00 72.23 H new ATOM 0 HD21 LEU A 63 3.437 3.762 3.126 1.00 10.04 H new ATOM 0 HD22 LEU A 63 4.210 3.972 4.715 1.00 10.04 H new ATOM 0 HD23 LEU A 63 3.042 5.179 4.127 1.00 10.04 H new ATOM 1077 N ILE A 64 8.016 4.599 5.178 1.00 42.42 N ATOM 1078 CA ILE A 64 8.929 3.465 5.210 1.00 44.40 C ATOM 1079 C ILE A 64 9.146 3.092 6.682 1.00 23.54 C ATOM 1080 O ILE A 64 9.033 1.918 7.038 1.00 13.03 O ATOM 1081 CB ILE A 64 10.226 3.843 4.442 1.00 2.32 C ATOM 1082 CG1 ILE A 64 9.958 3.829 2.916 1.00 34.41 C ATOM 1083 CG2 ILE A 64 11.394 2.901 4.763 1.00 50.42 C ATOM 1084 CD1 ILE A 64 11.029 4.547 2.083 1.00 25.12 C ATOM 0 H ILE A 64 8.422 5.409 4.710 1.00 42.42 H new ATOM 0 HA ILE A 64 8.533 2.582 4.707 1.00 44.40 H new ATOM 0 HB ILE A 64 10.511 4.844 4.767 1.00 2.32 H new ATOM 0 HG12 ILE A 64 9.886 2.794 2.581 1.00 34.41 H new ATOM 0 HG13 ILE A 64 8.991 4.295 2.724 1.00 34.41 H new ATOM 0 HG21 ILE A 64 12.275 3.209 4.200 1.00 50.42 H new ATOM 0 HG22 ILE A 64 11.612 2.942 5.830 1.00 50.42 H new ATOM 0 HG23 ILE A 64 11.126 1.881 4.487 1.00 50.42 H new ATOM 0 HD11 ILE A 64 10.766 4.491 1.027 1.00 25.12 H new ATOM 0 HD12 ILE A 64 11.087 5.592 2.388 1.00 25.12 H new ATOM 0 HD13 ILE A 64 11.995 4.068 2.242 1.00 25.12 H new ATOM 1096 N LYS A 65 9.426 4.069 7.558 1.00 63.32 N ATOM 1097 CA LYS A 65 9.636 3.827 8.987 1.00 11.22 C ATOM 1098 C LYS A 65 8.421 3.136 9.597 1.00 74.51 C ATOM 1099 O LYS A 65 8.596 2.141 10.294 1.00 13.31 O ATOM 1100 CB LYS A 65 9.935 5.155 9.712 1.00 33.34 C ATOM 1101 CG LYS A 65 9.870 5.083 11.250 1.00 61.21 C ATOM 1102 CD LYS A 65 9.709 6.473 11.894 1.00 42.33 C ATOM 1103 CE LYS A 65 8.353 7.161 11.648 1.00 22.32 C ATOM 1104 NZ LYS A 65 8.351 8.535 12.199 1.00 22.21 N ATOM 0 H LYS A 65 9.513 5.050 7.291 1.00 63.32 H new ATOM 0 HA LYS A 65 10.495 3.167 9.109 1.00 11.22 H new ATOM 0 HB2 LYS A 65 10.928 5.496 9.420 1.00 33.34 H new ATOM 0 HB3 LYS A 65 9.226 5.908 9.368 1.00 33.34 H new ATOM 0 HG2 LYS A 65 9.035 4.449 11.547 1.00 61.21 H new ATOM 0 HG3 LYS A 65 10.778 4.613 11.628 1.00 61.21 H new ATOM 0 HD2 LYS A 65 9.859 6.376 12.969 1.00 42.33 H new ATOM 0 HD3 LYS A 65 10.500 7.122 11.519 1.00 42.33 H new ATOM 0 HE2 LYS A 65 8.146 7.193 10.578 1.00 22.32 H new ATOM 0 HE3 LYS A 65 7.556 6.578 12.110 1.00 22.32 H new ATOM 0 HZ1 LYS A 65 7.427 8.979 12.021 1.00 22.21 H new ATOM 0 HZ2 LYS A 65 8.526 8.498 13.223 1.00 22.21 H new ATOM 0 HZ3 LYS A 65 9.098 9.094 11.740 1.00 22.21 H new ATOM 1118 N ILE A 66 7.206 3.652 9.397 1.00 63.11 N ATOM 1119 CA ILE A 66 5.988 3.066 9.949 1.00 50.42 C ATOM 1120 C ILE A 66 5.869 1.629 9.426 1.00 13.01 C ATOM 1121 O ILE A 66 5.467 0.742 10.181 1.00 25.41 O ATOM 1122 CB ILE A 66 4.773 4.006 9.743 1.00 73.24 C ATOM 1123 CG1 ILE A 66 4.977 5.272 10.619 1.00 54.21 C ATOM 1124 CG2 ILE A 66 3.462 3.308 10.153 1.00 12.32 C ATOM 1125 CD1 ILE A 66 3.980 6.409 10.393 1.00 1.13 C ATOM 0 H ILE A 66 7.041 4.493 8.844 1.00 63.11 H new ATOM 0 HA ILE A 66 6.023 2.976 11.035 1.00 50.42 H new ATOM 0 HB ILE A 66 4.702 4.273 8.689 1.00 73.24 H new ATOM 0 HG12 ILE A 66 4.930 4.976 11.667 1.00 54.21 H new ATOM 0 HG13 ILE A 66 5.982 5.655 10.441 1.00 54.21 H new ATOM 0 HG21 ILE A 66 2.624 3.988 9.999 1.00 12.32 H new ATOM 0 HG22 ILE A 66 3.320 2.414 9.545 1.00 12.32 H new ATOM 0 HG23 ILE A 66 3.513 3.027 11.205 1.00 12.32 H new ATOM 0 HD11 ILE A 66 4.218 7.239 11.057 1.00 1.13 H new ATOM 0 HD12 ILE A 66 4.039 6.744 9.358 1.00 1.13 H new ATOM 0 HD13 ILE A 66 2.971 6.055 10.603 1.00 1.13 H new ATOM 1137 N ILE A 67 6.244 1.345 8.175 1.00 11.43 N ATOM 1138 CA ILE A 67 6.197 -0.017 7.681 1.00 63.13 C ATOM 1139 C ILE A 67 7.219 -0.832 8.485 1.00 3.13 C ATOM 1140 O ILE A 67 6.850 -1.884 9.001 1.00 30.42 O ATOM 1141 CB ILE A 67 6.347 -0.039 6.141 1.00 11.31 C ATOM 1142 CG1 ILE A 67 5.007 -0.450 5.497 1.00 31.21 C ATOM 1143 CG2 ILE A 67 7.460 -0.957 5.615 1.00 65.53 C ATOM 1144 CD1 ILE A 67 3.846 0.509 5.804 1.00 54.04 C ATOM 0 H ILE A 67 6.577 2.035 7.502 1.00 11.43 H new ATOM 0 HA ILE A 67 5.231 -0.496 7.840 1.00 63.13 H new ATOM 0 HB ILE A 67 6.634 0.974 5.861 1.00 11.31 H new ATOM 0 HG12 ILE A 67 5.138 -0.511 4.417 1.00 31.21 H new ATOM 0 HG13 ILE A 67 4.741 -1.449 5.843 1.00 31.21 H new ATOM 0 HG21 ILE A 67 7.489 -0.907 4.527 1.00 65.53 H new ATOM 0 HG22 ILE A 67 8.419 -0.634 6.019 1.00 65.53 H new ATOM 0 HG23 ILE A 67 7.263 -1.983 5.926 1.00 65.53 H new ATOM 0 HD11 ILE A 67 2.940 0.151 5.316 1.00 54.04 H new ATOM 0 HD12 ILE A 67 3.685 0.552 6.881 1.00 54.04 H new ATOM 0 HD13 ILE A 67 4.089 1.505 5.433 1.00 54.04 H new ATOM 1156 N ARG A 68 8.465 -0.369 8.690 1.00 41.22 N ATOM 1157 CA ARG A 68 9.421 -1.161 9.467 1.00 10.01 C ATOM 1158 C ARG A 68 8.919 -1.344 10.901 1.00 45.10 C ATOM 1159 O ARG A 68 9.159 -2.396 11.482 1.00 65.41 O ATOM 1160 CB ARG A 68 10.848 -0.599 9.406 1.00 5.31 C ATOM 1161 CG ARG A 68 11.404 -0.531 7.972 1.00 73.40 C ATOM 1162 CD ARG A 68 12.941 -0.529 7.937 1.00 3.32 C ATOM 1163 NE ARG A 68 13.478 -1.811 7.445 1.00 33.25 N ATOM 1164 CZ ARG A 68 14.618 -2.424 7.787 1.00 74.12 C ATOM 1165 NH1 ARG A 68 15.353 -2.003 8.806 1.00 73.30 N ATOM 1166 NH2 ARG A 68 15.018 -3.476 7.084 1.00 21.34 N ATOM 0 H ARG A 68 8.821 0.520 8.340 1.00 41.22 H new ATOM 0 HA ARG A 68 9.485 -2.147 9.008 1.00 10.01 H new ATOM 0 HB2 ARG A 68 10.859 0.400 9.842 1.00 5.31 H new ATOM 0 HB3 ARG A 68 11.504 -1.220 10.016 1.00 5.31 H new ATOM 0 HG2 ARG A 68 11.032 -1.381 7.401 1.00 73.40 H new ATOM 0 HG3 ARG A 68 11.031 0.369 7.483 1.00 73.40 H new ATOM 0 HD2 ARG A 68 13.289 0.281 7.296 1.00 3.32 H new ATOM 0 HD3 ARG A 68 13.327 -0.333 8.937 1.00 3.32 H new ATOM 0 HE ARG A 68 12.906 -2.295 6.753 1.00 33.25 H new ATOM 0 HH11 ARG A 68 15.054 -1.194 9.351 1.00 73.30 H new ATOM 0 HH12 ARG A 68 16.218 -2.488 9.046 1.00 73.30 H new ATOM 0 HH21 ARG A 68 14.459 -3.806 6.297 1.00 21.34 H new ATOM 0 HH22 ARG A 68 15.884 -3.955 7.331 1.00 21.34 H new ATOM 1180 N ARG A 69 8.160 -0.386 11.447 1.00 3.13 N ATOM 1181 CA ARG A 69 7.592 -0.441 12.792 1.00 64.10 C ATOM 1182 C ARG A 69 6.677 -1.654 12.894 1.00 2.24 C ATOM 1183 O ARG A 69 6.830 -2.450 13.814 1.00 42.23 O ATOM 1184 CB ARG A 69 6.772 0.831 13.094 1.00 64.52 C ATOM 1185 CG ARG A 69 6.356 0.950 14.570 1.00 24.24 C ATOM 1186 CD ARG A 69 7.415 1.635 15.443 1.00 74.11 C ATOM 1187 NE ARG A 69 7.326 3.105 15.391 1.00 3.21 N ATOM 1188 CZ ARG A 69 6.592 3.866 16.216 1.00 11.23 C ATOM 1189 NH1 ARG A 69 5.799 3.343 17.140 1.00 73.52 N ATOM 1190 NH2 ARG A 69 6.638 5.188 16.143 1.00 43.14 N ATOM 0 H ARG A 69 7.920 0.471 10.948 1.00 3.13 H new ATOM 0 HA ARG A 69 8.407 -0.513 13.513 1.00 64.10 H new ATOM 0 HB2 ARG A 69 7.358 1.707 12.817 1.00 64.52 H new ATOM 0 HB3 ARG A 69 5.878 0.835 12.470 1.00 64.52 H new ATOM 0 HG2 ARG A 69 5.424 1.511 14.634 1.00 24.24 H new ATOM 0 HG3 ARG A 69 6.157 -0.046 14.966 1.00 24.24 H new ATOM 0 HD2 ARG A 69 7.300 1.304 16.475 1.00 74.11 H new ATOM 0 HD3 ARG A 69 8.407 1.323 15.117 1.00 74.11 H new ATOM 0 HE ARG A 69 7.866 3.582 14.669 1.00 3.21 H new ATOM 0 HH11 ARG A 69 5.732 2.330 17.241 1.00 73.52 H new ATOM 0 HH12 ARG A 69 5.255 3.953 17.750 1.00 73.52 H new ATOM 0 HH21 ARG A 69 7.237 5.640 15.453 1.00 43.14 H new ATOM 0 HH22 ARG A 69 6.074 5.754 16.777 1.00 43.14 H new ATOM 1204 N ARG A 70 5.690 -1.794 12.006 1.00 72.13 N ATOM 1205 CA ARG A 70 4.781 -2.939 12.072 1.00 21.15 C ATOM 1206 C ARG A 70 5.407 -4.257 11.599 1.00 24.55 C ATOM 1207 O ARG A 70 5.043 -5.295 12.140 1.00 34.45 O ATOM 1208 CB ARG A 70 3.426 -2.646 11.411 1.00 45.43 C ATOM 1209 CG ARG A 70 3.503 -2.003 10.017 1.00 23.15 C ATOM 1210 CD ARG A 70 2.320 -2.334 9.085 1.00 62.34 C ATOM 1211 NE ARG A 70 1.964 -3.773 9.063 1.00 43.13 N ATOM 1212 CZ ARG A 70 0.973 -4.355 9.764 1.00 5.24 C ATOM 1213 NH1 ARG A 70 0.149 -3.634 10.519 1.00 1.45 N ATOM 1214 NH2 ARG A 70 0.836 -5.671 9.727 1.00 74.42 N ATOM 0 H ARG A 70 5.502 -1.141 11.245 1.00 72.13 H new ATOM 0 HA ARG A 70 4.582 -3.093 13.133 1.00 21.15 H new ATOM 0 HB2 ARG A 70 2.869 -3.579 11.333 1.00 45.43 H new ATOM 0 HB3 ARG A 70 2.855 -1.988 12.066 1.00 45.43 H new ATOM 0 HG2 ARG A 70 3.563 -0.921 10.134 1.00 23.15 H new ATOM 0 HG3 ARG A 70 4.427 -2.323 9.535 1.00 23.15 H new ATOM 0 HD2 ARG A 70 1.449 -1.758 9.399 1.00 62.34 H new ATOM 0 HD3 ARG A 70 2.566 -2.014 8.072 1.00 62.34 H new ATOM 0 HE ARG A 70 2.522 -4.378 8.461 1.00 43.13 H new ATOM 0 HH11 ARG A 70 0.262 -2.622 10.574 1.00 1.45 H new ATOM 0 HH12 ARG A 70 -0.596 -4.093 11.043 1.00 1.45 H new ATOM 0 HH21 ARG A 70 1.478 -6.235 9.171 1.00 74.42 H new ATOM 0 HH22 ARG A 70 0.088 -6.121 10.255 1.00 74.42 H new ATOM 1228 N LEU A 71 6.320 -4.241 10.621 1.00 21.25 N ATOM 1229 CA LEU A 71 6.991 -5.436 10.077 1.00 74.22 C ATOM 1230 C LEU A 71 8.070 -5.983 11.036 1.00 21.21 C ATOM 1231 O LEU A 71 8.307 -7.188 11.054 1.00 34.34 O ATOM 1232 CB LEU A 71 7.627 -5.094 8.718 1.00 4.34 C ATOM 1233 CG LEU A 71 6.742 -5.214 7.462 1.00 51.24 C ATOM 1234 CD1 LEU A 71 6.544 -6.677 7.056 1.00 25.43 C ATOM 1235 CD2 LEU A 71 5.373 -4.540 7.593 1.00 50.42 C ATOM 0 H LEU A 71 6.623 -3.377 10.172 1.00 21.25 H new ATOM 0 HA LEU A 71 6.237 -6.214 9.954 1.00 74.22 H new ATOM 0 HB2 LEU A 71 7.999 -4.071 8.770 1.00 4.34 H new ATOM 0 HB3 LEU A 71 8.493 -5.741 8.581 1.00 4.34 H new ATOM 0 HG LEU A 71 7.290 -4.680 6.686 1.00 51.24 H new ATOM 0 HD11 LEU A 71 5.915 -6.726 6.167 1.00 25.43 H new ATOM 0 HD12 LEU A 71 7.512 -7.129 6.841 1.00 25.43 H new ATOM 0 HD13 LEU A 71 6.063 -7.219 7.871 1.00 25.43 H new ATOM 0 HD21 LEU A 71 4.813 -4.670 6.667 1.00 50.42 H new ATOM 0 HD22 LEU A 71 4.822 -4.993 8.417 1.00 50.42 H new ATOM 0 HD23 LEU A 71 5.508 -3.476 7.788 1.00 50.42 H new ATOM 1247 N GLN A 72 8.712 -5.125 11.843 1.00 72.40 N ATOM 1248 CA GLN A 72 9.774 -5.439 12.811 1.00 33.14 C ATOM 1249 C GLN A 72 10.887 -6.312 12.208 1.00 3.21 C ATOM 1250 O GLN A 72 11.206 -7.390 12.708 1.00 50.34 O ATOM 1251 CB GLN A 72 9.169 -5.978 14.118 1.00 22.33 C ATOM 1252 CG GLN A 72 8.775 -4.827 15.054 1.00 43.30 C ATOM 1253 CD GLN A 72 7.721 -5.180 16.103 1.00 64.24 C ATOM 1254 OE1 GLN A 72 7.802 -4.758 17.254 1.00 25.35 O ATOM 1255 NE2 GLN A 72 6.686 -5.920 15.745 1.00 63.41 N ATOM 0 H GLN A 72 8.489 -4.130 11.837 1.00 72.40 H new ATOM 0 HA GLN A 72 10.288 -4.514 13.074 1.00 33.14 H new ATOM 0 HB2 GLN A 72 8.293 -6.586 13.894 1.00 22.33 H new ATOM 0 HB3 GLN A 72 9.889 -6.627 14.616 1.00 22.33 H new ATOM 0 HG2 GLN A 72 9.670 -4.472 15.565 1.00 43.30 H new ATOM 0 HG3 GLN A 72 8.403 -3.999 14.451 1.00 43.30 H new ATOM 0 HE21 GLN A 72 6.616 -6.272 14.790 1.00 63.41 H new ATOM 0 HE22 GLN A 72 5.957 -6.139 16.424 1.00 63.41 H new ATOM 1264 N LEU A 73 11.497 -5.820 11.127 1.00 3.44 N ATOM 1265 CA LEU A 73 12.578 -6.503 10.416 1.00 5.23 C ATOM 1266 C LEU A 73 13.888 -6.450 11.196 1.00 62.10 C ATOM 1267 O LEU A 73 14.003 -5.744 12.201 1.00 10.15 O ATOM 1268 CB LEU A 73 12.861 -5.853 9.045 1.00 1.02 C ATOM 1269 CG LEU A 73 11.692 -5.690 8.072 1.00 65.54 C ATOM 1270 CD1 LEU A 73 10.824 -6.944 8.010 1.00 2.15 C ATOM 1271 CD2 LEU A 73 10.882 -4.420 8.368 1.00 71.53 C ATOM 0 H LEU A 73 11.249 -4.921 10.715 1.00 3.44 H new ATOM 0 HA LEU A 73 12.240 -7.532 10.294 1.00 5.23 H new ATOM 0 HB2 LEU A 73 13.286 -4.865 9.225 1.00 1.02 H new ATOM 0 HB3 LEU A 73 13.630 -6.444 8.547 1.00 1.02 H new ATOM 0 HG LEU A 73 12.112 -5.562 7.074 1.00 65.54 H new ATOM 0 HD11 LEU A 73 10.006 -6.786 7.308 1.00 2.15 H new ATOM 0 HD12 LEU A 73 11.428 -7.789 7.679 1.00 2.15 H new ATOM 0 HD13 LEU A 73 10.418 -7.154 8.999 1.00 2.15 H new ATOM 0 HD21 LEU A 73 10.060 -4.338 7.656 1.00 71.53 H new ATOM 0 HD22 LEU A 73 10.481 -4.472 9.380 1.00 71.53 H new ATOM 0 HD23 LEU A 73 11.528 -3.547 8.278 1.00 71.53 H new ATOM 1283 N ASN A 74 14.890 -7.166 10.681 1.00 23.41 N ATOM 1284 CA ASN A 74 16.223 -7.222 11.247 1.00 53.41 C ATOM 1285 C ASN A 74 16.852 -5.837 11.180 1.00 44.22 C ATOM 1286 O ASN A 74 16.507 -5.011 10.331 1.00 11.42 O ATOM 1287 CB ASN A 74 17.084 -8.228 10.462 1.00 41.05 C ATOM 1288 CG ASN A 74 17.400 -9.500 11.226 1.00 53.04 C ATOM 1289 OD1 ASN A 74 18.090 -10.403 10.576 1.00 13.14 O flip ATOM 1290 ND2 ASN A 74 17.023 -9.677 12.379 1.00 32.13 N flip ATOM 0 H ASN A 74 14.786 -7.733 9.840 1.00 23.41 H new ATOM 0 HA ASN A 74 16.165 -7.546 12.286 1.00 53.41 H new ATOM 0 HB2 ASN A 74 16.567 -8.490 9.539 1.00 41.05 H new ATOM 0 HB3 ASN A 74 18.019 -7.746 10.178 1.00 41.05 H new ATOM 0 HD21 ASN A 74 16.487 -8.953 12.857 1.00 32.13 H new ATOM 0 HD22 ASN A 74 17.245 -10.548 12.860 1.00 32.13 H new ATOM 1297 N ALA A 75 17.789 -5.606 12.090 1.00 51.41 N ATOM 1298 CA ALA A 75 18.532 -4.353 12.202 1.00 14.23 C ATOM 1299 C ALA A 75 19.766 -4.434 11.308 1.00 12.21 C ATOM 1300 O ALA A 75 20.262 -3.433 10.795 1.00 71.53 O ATOM 1301 CB ALA A 75 18.944 -4.135 13.662 1.00 74.52 C ATOM 0 H ALA A 75 18.061 -6.299 12.787 1.00 51.41 H new ATOM 0 HA ALA A 75 17.911 -3.515 11.886 1.00 14.23 H new ATOM 0 HB1 ALA A 75 19.499 -3.201 13.748 1.00 74.52 H new ATOM 0 HB2 ALA A 75 18.053 -4.087 14.288 1.00 74.52 H new ATOM 0 HB3 ALA A 75 19.574 -4.962 13.990 1.00 74.52 H new ATOM 1307 N ASN A 76 20.259 -5.657 11.121 1.00 25.41 N ATOM 1308 CA ASN A 76 21.419 -5.977 10.305 1.00 50.30 C ATOM 1309 C ASN A 76 21.041 -6.005 8.824 1.00 74.13 C ATOM 1310 O ASN A 76 21.948 -6.053 7.989 1.00 2.31 O ATOM 1311 CB ASN A 76 22.034 -7.303 10.781 1.00 12.42 C ATOM 1312 CG ASN A 76 20.967 -8.364 10.925 1.00 22.41 C ATOM 1313 OD1 ASN A 76 20.244 -8.392 11.917 1.00 52.35 O ATOM 1314 ND2 ASN A 76 20.726 -9.131 9.892 1.00 22.12 N ATOM 0 H ASN A 76 19.842 -6.482 11.553 1.00 25.41 H new ATOM 0 HA ASN A 76 22.176 -5.201 10.420 1.00 50.30 H new ATOM 0 HB2 ASN A 76 22.791 -7.635 10.070 1.00 12.42 H new ATOM 0 HB3 ASN A 76 22.538 -7.154 11.736 1.00 12.42 H new ATOM 0 HD21 ASN A 76 19.927 -9.765 9.903 1.00 22.12 H new ATOM 0 HD22 ASN A 76 21.337 -9.095 9.076 1.00 22.12 H new ATOM 1321 N GLN A 77 19.742 -5.946 8.481 1.00 13.22 N ATOM 1322 CA GLN A 77 19.281 -5.962 7.093 1.00 70.54 C ATOM 1323 C GLN A 77 18.555 -4.677 6.706 1.00 50.21 C ATOM 1324 O GLN A 77 17.855 -4.070 7.520 1.00 4.15 O ATOM 1325 CB GLN A 77 18.422 -7.204 6.799 1.00 43.03 C ATOM 1326 CG GLN A 77 16.900 -7.032 6.970 1.00 13.32 C ATOM 1327 CD GLN A 77 16.124 -8.276 6.554 1.00 30.53 C ATOM 1328 OE1 GLN A 77 15.233 -8.736 7.263 1.00 21.31 O ATOM 1329 NE2 GLN A 77 16.403 -8.806 5.372 1.00 5.02 N ATOM 0 H GLN A 77 18.986 -5.886 9.164 1.00 13.22 H new ATOM 0 HA GLN A 77 20.172 -6.019 6.468 1.00 70.54 H new ATOM 0 HB2 GLN A 77 18.618 -7.522 5.775 1.00 43.03 H new ATOM 0 HB3 GLN A 77 18.752 -8.012 7.453 1.00 43.03 H new ATOM 0 HG2 GLN A 77 16.678 -6.800 8.012 1.00 13.32 H new ATOM 0 HG3 GLN A 77 16.564 -6.182 6.376 1.00 13.32 H new ATOM 0 HE21 GLN A 77 17.147 -8.409 4.798 1.00 5.02 H new ATOM 0 HE22 GLN A 77 15.874 -9.611 5.036 1.00 5.02 H new ATOM 1338 N ALA A 78 18.690 -4.293 5.438 1.00 4.01 N ATOM 1339 CA ALA A 78 18.072 -3.107 4.859 1.00 53.12 C ATOM 1340 C ALA A 78 17.135 -3.497 3.719 1.00 1.12 C ATOM 1341 O ALA A 78 17.151 -4.645 3.263 1.00 12.11 O ATOM 1342 CB ALA A 78 19.155 -2.141 4.372 1.00 65.52 C ATOM 0 H ALA A 78 19.251 -4.817 4.766 1.00 4.01 H new ATOM 0 HA ALA A 78 17.479 -2.605 5.624 1.00 53.12 H new ATOM 0 HB1 ALA A 78 18.686 -1.257 3.940 1.00 65.52 H new ATOM 0 HB2 ALA A 78 19.783 -1.845 5.212 1.00 65.52 H new ATOM 0 HB3 ALA A 78 19.768 -2.632 3.616 1.00 65.52 H new ATOM 1348 N PHE A 79 16.313 -2.556 3.254 1.00 10.23 N ATOM 1349 CA PHE A 79 15.388 -2.787 2.154 1.00 72.51 C ATOM 1350 C PHE A 79 15.077 -1.496 1.408 1.00 3.22 C ATOM 1351 O PHE A 79 15.479 -0.416 1.851 1.00 25.11 O ATOM 1352 CB PHE A 79 14.092 -3.425 2.678 1.00 42.32 C ATOM 1353 CG PHE A 79 12.981 -2.474 3.079 1.00 1.32 C ATOM 1354 CD1 PHE A 79 13.217 -1.429 3.990 1.00 51.30 C ATOM 1355 CD2 PHE A 79 11.682 -2.678 2.580 1.00 2.01 C ATOM 1356 CE1 PHE A 79 12.157 -0.614 4.417 1.00 31.42 C ATOM 1357 CE2 PHE A 79 10.622 -1.856 2.996 1.00 2.35 C ATOM 1358 CZ PHE A 79 10.858 -0.827 3.922 1.00 31.42 C ATOM 0 H PHE A 79 16.273 -1.610 3.634 1.00 10.23 H new ATOM 0 HA PHE A 79 15.865 -3.471 1.452 1.00 72.51 H new ATOM 0 HB2 PHE A 79 13.707 -4.094 1.909 1.00 42.32 H new ATOM 0 HB3 PHE A 79 14.341 -4.042 3.542 1.00 42.32 H new ATOM 0 HD1 PHE A 79 14.216 -1.253 4.362 1.00 51.30 H new ATOM 0 HD2 PHE A 79 11.498 -3.472 1.872 1.00 2.01 H new ATOM 0 HE1 PHE A 79 12.339 0.179 5.127 1.00 31.42 H new ATOM 0 HE2 PHE A 79 9.628 -2.015 2.605 1.00 2.35 H new ATOM 0 HZ PHE A 79 10.043 -0.200 4.253 1.00 31.42 H new ATOM 1368 N PHE A 80 14.340 -1.623 0.310 1.00 1.23 N ATOM 1369 CA PHE A 80 13.886 -0.546 -0.542 1.00 53.04 C ATOM 1370 C PHE A 80 12.415 -0.812 -0.870 1.00 32.34 C ATOM 1371 O PHE A 80 11.892 -1.926 -0.705 1.00 34.45 O ATOM 1372 CB PHE A 80 14.775 -0.400 -1.781 1.00 21.54 C ATOM 1373 CG PHE A 80 16.157 0.138 -1.470 1.00 53.24 C ATOM 1374 CD1 PHE A 80 16.385 1.528 -1.467 1.00 70.51 C ATOM 1375 CD2 PHE A 80 17.212 -0.746 -1.178 1.00 63.42 C ATOM 1376 CE1 PHE A 80 17.667 2.029 -1.191 1.00 5.25 C ATOM 1377 CE2 PHE A 80 18.494 -0.247 -0.897 1.00 11.42 C ATOM 1378 CZ PHE A 80 18.718 1.140 -0.909 1.00 12.01 C ATOM 0 H PHE A 80 14.029 -2.536 -0.023 1.00 1.23 H new ATOM 0 HA PHE A 80 13.964 0.416 -0.035 1.00 53.04 H new ATOM 0 HB2 PHE A 80 14.872 -1.371 -2.266 1.00 21.54 H new ATOM 0 HB3 PHE A 80 14.286 0.265 -2.493 1.00 21.54 H new ATOM 0 HD1 PHE A 80 15.573 2.209 -1.677 1.00 70.51 H new ATOM 0 HD2 PHE A 80 17.035 -1.811 -1.170 1.00 63.42 H new ATOM 0 HE1 PHE A 80 17.845 3.094 -1.195 1.00 5.25 H new ATOM 0 HE2 PHE A 80 19.304 -0.926 -0.673 1.00 11.42 H new ATOM 0 HZ PHE A 80 19.705 1.526 -0.700 1.00 12.01 H new ATOM 1388 N LEU A 81 11.758 0.262 -1.300 1.00 5.02 N ATOM 1389 CA LEU A 81 10.357 0.346 -1.663 1.00 45.24 C ATOM 1390 C LEU A 81 10.277 1.074 -2.998 1.00 11.34 C ATOM 1391 O LEU A 81 10.596 2.265 -3.064 1.00 44.41 O ATOM 1392 CB LEU A 81 9.640 1.124 -0.552 1.00 1.13 C ATOM 1393 CG LEU A 81 8.135 1.308 -0.796 1.00 41.32 C ATOM 1394 CD1 LEU A 81 7.396 -0.026 -0.644 1.00 51.02 C ATOM 1395 CD2 LEU A 81 7.610 2.313 0.235 1.00 53.14 C ATOM 0 H LEU A 81 12.231 1.159 -1.410 1.00 5.02 H new ATOM 0 HA LEU A 81 9.886 -0.632 -1.766 1.00 45.24 H new ATOM 0 HB2 LEU A 81 9.784 0.603 0.395 1.00 1.13 H new ATOM 0 HB3 LEU A 81 10.105 2.105 -0.450 1.00 1.13 H new ATOM 0 HG LEU A 81 7.966 1.672 -1.809 1.00 41.32 H new ATOM 0 HD11 LEU A 81 6.331 0.126 -0.821 1.00 51.02 H new ATOM 0 HD12 LEU A 81 7.785 -0.742 -1.368 1.00 51.02 H new ATOM 0 HD13 LEU A 81 7.545 -0.412 0.365 1.00 51.02 H new ATOM 0 HD21 LEU A 81 6.541 2.463 0.085 1.00 53.14 H new ATOM 0 HD22 LEU A 81 7.785 1.928 1.240 1.00 53.14 H new ATOM 0 HD23 LEU A 81 8.130 3.263 0.115 1.00 53.14 H new ATOM 1407 N LEU A 82 9.916 0.357 -4.052 1.00 63.51 N ATOM 1408 CA LEU A 82 9.795 0.877 -5.406 1.00 52.03 C ATOM 1409 C LEU A 82 8.327 1.201 -5.678 1.00 64.23 C ATOM 1410 O LEU A 82 7.445 0.581 -5.082 1.00 1.04 O ATOM 1411 CB LEU A 82 10.298 -0.155 -6.427 1.00 14.25 C ATOM 1412 CG LEU A 82 11.642 -0.842 -6.093 1.00 50.42 C ATOM 1413 CD1 LEU A 82 11.384 -2.209 -5.450 1.00 73.34 C ATOM 1414 CD2 LEU A 82 12.500 -0.997 -7.353 1.00 45.01 C ATOM 0 H LEU A 82 9.692 -0.636 -3.986 1.00 63.51 H new ATOM 0 HA LEU A 82 10.402 1.777 -5.503 1.00 52.03 H new ATOM 0 HB2 LEU A 82 9.536 -0.927 -6.538 1.00 14.25 H new ATOM 0 HB3 LEU A 82 10.396 0.338 -7.394 1.00 14.25 H new ATOM 0 HG LEU A 82 12.187 -0.216 -5.387 1.00 50.42 H new ATOM 0 HD11 LEU A 82 12.336 -2.687 -5.217 1.00 73.34 H new ATOM 0 HD12 LEU A 82 10.810 -2.077 -4.533 1.00 73.34 H new ATOM 0 HD13 LEU A 82 10.822 -2.836 -6.142 1.00 73.34 H new ATOM 0 HD21 LEU A 82 13.441 -1.483 -7.095 1.00 45.01 H new ATOM 0 HD22 LEU A 82 11.967 -1.605 -8.084 1.00 45.01 H new ATOM 0 HD23 LEU A 82 12.704 -0.014 -7.778 1.00 45.01 H new ATOM 1426 N VAL A 83 8.054 2.142 -6.580 1.00 63.20 N ATOM 1427 CA VAL A 83 6.707 2.564 -6.957 1.00 32.53 C ATOM 1428 C VAL A 83 6.465 2.008 -8.356 1.00 24.35 C ATOM 1429 O VAL A 83 7.349 2.136 -9.190 1.00 51.01 O ATOM 1430 CB VAL A 83 6.598 4.101 -6.861 1.00 51.42 C ATOM 1431 CG1 VAL A 83 5.128 4.516 -6.975 1.00 52.43 C ATOM 1432 CG2 VAL A 83 7.139 4.635 -5.520 1.00 43.30 C ATOM 0 H VAL A 83 8.785 2.646 -7.083 1.00 63.20 H new ATOM 0 HA VAL A 83 5.934 2.182 -6.290 1.00 32.53 H new ATOM 0 HB VAL A 83 7.193 4.519 -7.672 1.00 51.42 H new ATOM 0 HG11 VAL A 83 5.050 5.601 -6.907 1.00 52.43 H new ATOM 0 HG12 VAL A 83 4.729 4.183 -7.933 1.00 52.43 H new ATOM 0 HG13 VAL A 83 4.557 4.060 -6.166 1.00 52.43 H new ATOM 0 HG21 VAL A 83 7.043 5.720 -5.495 1.00 43.30 H new ATOM 0 HG22 VAL A 83 6.568 4.201 -4.699 1.00 43.30 H new ATOM 0 HG23 VAL A 83 8.189 4.361 -5.416 1.00 43.30 H new ATOM 1442 N ASN A 84 5.332 1.347 -8.630 1.00 45.00 N ATOM 1443 CA ASN A 84 5.025 0.734 -9.942 1.00 51.32 C ATOM 1444 C ASN A 84 6.140 -0.227 -10.418 1.00 13.31 C ATOM 1445 O ASN A 84 6.186 -0.601 -11.590 1.00 73.51 O ATOM 1446 CB ASN A 84 4.683 1.778 -11.028 1.00 70.52 C ATOM 1447 CG ASN A 84 3.298 2.376 -10.870 1.00 14.23 C ATOM 1448 OD1 ASN A 84 2.301 1.679 -10.690 1.00 74.22 O ATOM 1449 ND2 ASN A 84 3.191 3.684 -10.935 1.00 13.25 N ATOM 0 H ASN A 84 4.590 1.218 -7.942 1.00 45.00 H new ATOM 0 HA ASN A 84 4.126 0.138 -9.784 1.00 51.32 H new ATOM 0 HB2 ASN A 84 5.422 2.578 -10.998 1.00 70.52 H new ATOM 0 HB3 ASN A 84 4.759 1.310 -12.009 1.00 70.52 H new ATOM 0 HD21 ASN A 84 2.277 4.127 -10.836 1.00 13.25 H new ATOM 0 HD22 ASN A 84 4.022 4.257 -11.084 1.00 13.25 H new ATOM 1456 N GLY A 85 7.057 -0.636 -9.533 1.00 31.34 N ATOM 1457 CA GLY A 85 8.174 -1.519 -9.833 1.00 74.21 C ATOM 1458 C GLY A 85 9.495 -0.776 -10.073 1.00 53.23 C ATOM 1459 O GLY A 85 10.453 -1.426 -10.498 1.00 23.25 O ATOM 0 H GLY A 85 7.034 -0.347 -8.555 1.00 31.34 H new ATOM 0 HA2 GLY A 85 8.305 -2.219 -9.008 1.00 74.21 H new ATOM 0 HA3 GLY A 85 7.933 -2.109 -10.717 1.00 74.21 H new ATOM 1463 N HIS A 86 9.585 0.537 -9.811 1.00 53.14 N ATOM 1464 CA HIS A 86 10.794 1.342 -10.004 1.00 74.14 C ATOM 1465 C HIS A 86 10.915 2.425 -8.919 1.00 4.15 C ATOM 1466 O HIS A 86 9.955 3.124 -8.599 1.00 5.25 O ATOM 1467 CB HIS A 86 10.805 1.948 -11.420 1.00 43.12 C ATOM 1468 CG HIS A 86 9.643 2.833 -11.786 1.00 32.13 C ATOM 1469 ND1 HIS A 86 9.731 4.144 -12.188 1.00 3.44 N ATOM 1470 CD2 HIS A 86 8.336 2.446 -11.929 1.00 5.32 C ATOM 1471 CE1 HIS A 86 8.497 4.542 -12.524 1.00 71.42 C ATOM 1472 NE2 HIS A 86 7.616 3.537 -12.412 1.00 51.32 N ATOM 0 H HIS A 86 8.799 1.078 -9.451 1.00 53.14 H new ATOM 0 HA HIS A 86 11.666 0.695 -9.907 1.00 74.14 H new ATOM 0 HB2 HIS A 86 11.722 2.525 -11.536 1.00 43.12 H new ATOM 0 HB3 HIS A 86 10.850 1.131 -12.140 1.00 43.12 H new ATOM 0 HD2 HIS A 86 7.935 1.468 -11.707 1.00 5.32 H new ATOM 0 HE1 HIS A 86 8.244 5.542 -12.844 1.00 71.42 H new ATOM 0 HE2 HIS A 86 6.621 3.565 -12.635 1.00 51.32 H new ATOM 1480 N SER A 87 12.064 2.521 -8.248 1.00 72.24 N ATOM 1481 CA SER A 87 12.300 3.519 -7.216 1.00 51.31 C ATOM 1482 C SER A 87 12.983 4.684 -7.935 1.00 63.21 C ATOM 1483 O SER A 87 14.205 4.824 -7.875 1.00 1.35 O ATOM 1484 CB SER A 87 13.156 2.882 -6.107 1.00 22.24 C ATOM 1485 OG SER A 87 13.316 3.726 -4.979 1.00 64.41 O ATOM 0 H SER A 87 12.859 1.902 -8.410 1.00 72.24 H new ATOM 0 HA SER A 87 11.398 3.882 -6.724 1.00 51.31 H new ATOM 0 HB2 SER A 87 12.695 1.946 -5.792 1.00 22.24 H new ATOM 0 HB3 SER A 87 14.138 2.633 -6.510 1.00 22.24 H new ATOM 0 HG SER A 87 13.865 3.272 -4.306 1.00 64.41 H new ATOM 1491 N MET A 88 12.184 5.565 -8.551 1.00 45.23 N ATOM 1492 CA MET A 88 12.716 6.716 -9.291 1.00 44.34 C ATOM 1493 C MET A 88 12.558 8.047 -8.564 1.00 33.33 C ATOM 1494 O MET A 88 13.037 9.072 -9.044 1.00 50.10 O ATOM 1495 CB MET A 88 12.095 6.787 -10.701 1.00 31.14 C ATOM 1496 CG MET A 88 10.666 7.353 -10.705 1.00 2.41 C ATOM 1497 SD MET A 88 10.004 7.724 -12.344 1.00 32.32 S ATOM 1498 CE MET A 88 8.814 9.015 -11.898 1.00 2.32 C ATOM 0 H MET A 88 11.166 5.502 -8.551 1.00 45.23 H new ATOM 0 HA MET A 88 13.790 6.549 -9.373 1.00 44.34 H new ATOM 0 HB2 MET A 88 12.726 7.407 -11.338 1.00 31.14 H new ATOM 0 HB3 MET A 88 12.085 5.788 -11.137 1.00 31.14 H new ATOM 0 HG2 MET A 88 10.005 6.638 -10.215 1.00 2.41 H new ATOM 0 HG3 MET A 88 10.649 8.264 -10.107 1.00 2.41 H new ATOM 0 HE1 MET A 88 8.138 9.191 -12.734 1.00 2.32 H new ATOM 0 HE2 MET A 88 8.240 8.696 -11.028 1.00 2.32 H new ATOM 0 HE3 MET A 88 9.347 9.936 -11.663 1.00 2.32 H new ATOM 1508 N VAL A 89 11.872 8.043 -7.426 1.00 51.33 N ATOM 1509 CA VAL A 89 11.599 9.234 -6.632 1.00 64.10 C ATOM 1510 C VAL A 89 12.413 9.174 -5.337 1.00 3.35 C ATOM 1511 O VAL A 89 12.740 8.084 -4.856 1.00 50.44 O ATOM 1512 CB VAL A 89 10.068 9.361 -6.444 1.00 4.01 C ATOM 1513 CG1 VAL A 89 9.695 10.722 -5.854 1.00 70.22 C ATOM 1514 CG2 VAL A 89 9.288 9.211 -7.766 1.00 41.34 C ATOM 0 H VAL A 89 11.482 7.192 -7.021 1.00 51.33 H new ATOM 0 HA VAL A 89 11.918 10.149 -7.131 1.00 64.10 H new ATOM 0 HB VAL A 89 9.795 8.551 -5.768 1.00 4.01 H new ATOM 0 HG11 VAL A 89 8.613 10.782 -5.733 1.00 70.22 H new ATOM 0 HG12 VAL A 89 10.176 10.842 -4.883 1.00 70.22 H new ATOM 0 HG13 VAL A 89 10.030 11.513 -6.525 1.00 70.22 H new ATOM 0 HG21 VAL A 89 8.220 9.309 -7.571 1.00 41.34 H new ATOM 0 HG22 VAL A 89 9.603 9.987 -8.464 1.00 41.34 H new ATOM 0 HG23 VAL A 89 9.489 8.231 -8.198 1.00 41.34 H new ATOM 1524 N SER A 90 12.755 10.336 -4.776 1.00 71.51 N ATOM 1525 CA SER A 90 13.538 10.459 -3.554 1.00 11.14 C ATOM 1526 C SER A 90 12.765 9.951 -2.332 1.00 33.34 C ATOM 1527 O SER A 90 11.531 9.986 -2.292 1.00 32.24 O ATOM 1528 CB SER A 90 13.933 11.931 -3.369 1.00 44.30 C ATOM 1529 OG SER A 90 14.440 12.448 -4.581 1.00 45.42 O ATOM 0 H SER A 90 12.486 11.237 -5.172 1.00 71.51 H new ATOM 0 HA SER A 90 14.431 9.841 -3.644 1.00 11.14 H new ATOM 0 HB2 SER A 90 13.068 12.512 -3.050 1.00 44.30 H new ATOM 0 HB3 SER A 90 14.684 12.019 -2.584 1.00 44.30 H new ATOM 0 HG SER A 90 14.689 13.388 -4.457 1.00 45.42 H new ATOM 1535 N VAL A 91 13.488 9.556 -1.282 1.00 64.20 N ATOM 1536 CA VAL A 91 12.885 9.044 -0.051 1.00 43.10 C ATOM 1537 C VAL A 91 12.285 10.147 0.837 1.00 71.50 C ATOM 1538 O VAL A 91 11.498 9.838 1.727 1.00 65.52 O ATOM 1539 CB VAL A 91 13.900 8.174 0.720 1.00 31.52 C ATOM 1540 CG1 VAL A 91 14.292 6.929 -0.095 1.00 31.21 C ATOM 1541 CG2 VAL A 91 15.175 8.936 1.109 1.00 5.42 C ATOM 0 H VAL A 91 14.507 9.582 -1.262 1.00 64.20 H new ATOM 0 HA VAL A 91 12.041 8.419 -0.344 1.00 43.10 H new ATOM 0 HB VAL A 91 13.394 7.877 1.639 1.00 31.52 H new ATOM 0 HG11 VAL A 91 15.008 6.334 0.472 1.00 31.21 H new ATOM 0 HG12 VAL A 91 13.403 6.332 -0.297 1.00 31.21 H new ATOM 0 HG13 VAL A 91 14.743 7.238 -1.038 1.00 31.21 H new ATOM 0 HG21 VAL A 91 15.847 8.269 1.648 1.00 5.42 H new ATOM 0 HG22 VAL A 91 15.670 9.300 0.209 1.00 5.42 H new ATOM 0 HG23 VAL A 91 14.914 9.781 1.747 1.00 5.42 H new ATOM 1551 N SER A 92 12.600 11.425 0.623 1.00 24.54 N ATOM 1552 CA SER A 92 12.058 12.510 1.444 1.00 30.53 C ATOM 1553 C SER A 92 10.770 13.127 0.873 1.00 70.53 C ATOM 1554 O SER A 92 10.105 13.902 1.561 1.00 62.14 O ATOM 1555 CB SER A 92 13.141 13.574 1.584 1.00 43.00 C ATOM 1556 OG SER A 92 14.315 13.028 2.172 1.00 54.33 O ATOM 0 H SER A 92 13.231 11.736 -0.116 1.00 24.54 H new ATOM 0 HA SER A 92 11.778 12.097 2.413 1.00 30.53 H new ATOM 0 HB2 SER A 92 13.379 13.988 0.604 1.00 43.00 H new ATOM 0 HB3 SER A 92 12.771 14.397 2.196 1.00 43.00 H new ATOM 0 HG SER A 92 14.997 13.727 2.251 1.00 54.33 H new ATOM 1562 N THR A 93 10.388 12.740 -0.339 1.00 45.02 N ATOM 1563 CA THR A 93 9.229 13.215 -1.079 1.00 31.32 C ATOM 1564 C THR A 93 7.907 12.928 -0.353 1.00 51.30 C ATOM 1565 O THR A 93 7.742 11.820 0.182 1.00 51.11 O ATOM 1566 CB THR A 93 9.237 12.522 -2.456 1.00 34.11 C ATOM 1567 OG1 THR A 93 10.564 12.369 -2.924 1.00 52.11 O ATOM 1568 CG2 THR A 93 8.448 13.282 -3.517 1.00 11.41 C ATOM 0 H THR A 93 10.915 12.041 -0.863 1.00 45.02 H new ATOM 0 HA THR A 93 9.296 14.298 -1.178 1.00 31.32 H new ATOM 0 HB THR A 93 8.759 11.555 -2.303 1.00 34.11 H new ATOM 0 HG1 THR A 93 10.864 11.450 -2.761 1.00 52.11 H new ATOM 0 HG21 THR A 93 8.494 12.741 -4.462 1.00 11.41 H new ATOM 0 HG22 THR A 93 7.409 13.374 -3.201 1.00 11.41 H new ATOM 0 HG23 THR A 93 8.877 14.276 -3.647 1.00 11.41 H new ATOM 1576 N PRO A 94 6.966 13.890 -0.311 1.00 62.21 N ATOM 1577 CA PRO A 94 5.673 13.692 0.313 1.00 51.42 C ATOM 1578 C PRO A 94 4.857 12.708 -0.540 1.00 21.32 C ATOM 1579 O PRO A 94 4.884 12.729 -1.783 1.00 51.43 O ATOM 1580 CB PRO A 94 5.034 15.076 0.417 1.00 4.02 C ATOM 1581 CG PRO A 94 5.659 15.853 -0.739 1.00 33.43 C ATOM 1582 CD PRO A 94 7.048 15.230 -0.876 1.00 31.21 C ATOM 0 HA PRO A 94 5.735 13.255 1.310 1.00 51.42 H new ATOM 0 HB2 PRO A 94 3.949 15.024 0.324 1.00 4.02 H new ATOM 0 HB3 PRO A 94 5.249 15.545 1.377 1.00 4.02 H new ATOM 0 HG2 PRO A 94 5.079 15.746 -1.655 1.00 33.43 H new ATOM 0 HG3 PRO A 94 5.717 16.919 -0.521 1.00 33.43 H new ATOM 0 HD2 PRO A 94 7.352 15.191 -1.922 1.00 31.21 H new ATOM 0 HD3 PRO A 94 7.793 15.827 -0.349 1.00 31.21 H new ATOM 1590 N ILE A 95 4.102 11.838 0.136 1.00 22.14 N ATOM 1591 CA ILE A 95 3.278 10.843 -0.538 1.00 23.15 C ATOM 1592 C ILE A 95 2.245 11.521 -1.451 1.00 13.43 C ATOM 1593 O ILE A 95 1.739 10.873 -2.363 1.00 72.11 O ATOM 1594 CB ILE A 95 2.699 9.847 0.493 1.00 45.23 C ATOM 1595 CG1 ILE A 95 2.092 8.570 -0.127 1.00 4.44 C ATOM 1596 CG2 ILE A 95 1.634 10.483 1.390 1.00 33.15 C ATOM 1597 CD1 ILE A 95 3.126 7.656 -0.784 1.00 63.14 C ATOM 0 H ILE A 95 4.047 11.806 1.154 1.00 22.14 H new ATOM 0 HA ILE A 95 3.885 10.238 -1.212 1.00 23.15 H new ATOM 0 HB ILE A 95 3.571 9.563 1.082 1.00 45.23 H new ATOM 0 HG12 ILE A 95 1.569 8.013 0.650 1.00 4.44 H new ATOM 0 HG13 ILE A 95 1.348 8.856 -0.870 1.00 4.44 H new ATOM 0 HG21 ILE A 95 1.261 9.740 2.095 1.00 33.15 H new ATOM 0 HG22 ILE A 95 2.071 11.317 1.939 1.00 33.15 H new ATOM 0 HG23 ILE A 95 0.810 10.846 0.775 1.00 33.15 H new ATOM 0 HD11 ILE A 95 2.627 6.780 -1.197 1.00 63.14 H new ATOM 0 HD12 ILE A 95 3.633 8.196 -1.584 1.00 63.14 H new ATOM 0 HD13 ILE A 95 3.857 7.340 -0.040 1.00 63.14 H new ATOM 1609 N SER A 96 1.930 12.803 -1.216 1.00 34.43 N ATOM 1610 CA SER A 96 0.989 13.578 -2.001 1.00 12.22 C ATOM 1611 C SER A 96 1.416 13.603 -3.472 1.00 34.11 C ATOM 1612 O SER A 96 0.654 13.161 -4.339 1.00 41.12 O ATOM 1613 CB SER A 96 0.893 14.992 -1.406 1.00 43.00 C ATOM 1614 OG SER A 96 2.153 15.620 -1.289 1.00 21.22 O ATOM 0 H SER A 96 2.341 13.335 -0.449 1.00 34.43 H new ATOM 0 HA SER A 96 0.001 13.119 -1.965 1.00 12.22 H new ATOM 0 HB2 SER A 96 0.244 15.603 -2.034 1.00 43.00 H new ATOM 0 HB3 SER A 96 0.426 14.937 -0.423 1.00 43.00 H new ATOM 0 HG SER A 96 2.038 16.516 -0.908 1.00 21.22 H new ATOM 1620 N GLU A 97 2.616 14.118 -3.757 1.00 65.51 N ATOM 1621 CA GLU A 97 3.144 14.209 -5.111 1.00 63.44 C ATOM 1622 C GLU A 97 3.578 12.835 -5.615 1.00 73.24 C ATOM 1623 O GLU A 97 3.421 12.568 -6.812 1.00 72.21 O ATOM 1624 CB GLU A 97 4.164 15.342 -5.264 1.00 25.32 C ATOM 1625 CG GLU A 97 5.523 15.150 -4.576 1.00 32.32 C ATOM 1626 CD GLU A 97 6.327 16.461 -4.498 1.00 31.21 C ATOM 1627 OE1 GLU A 97 5.836 17.522 -4.950 1.00 54.02 O ATOM 1628 OE2 GLU A 97 7.445 16.458 -3.944 1.00 65.42 O ATOM 0 H GLU A 97 3.248 14.485 -3.046 1.00 65.51 H new ATOM 0 HA GLU A 97 2.347 14.512 -5.790 1.00 63.44 H new ATOM 0 HB2 GLU A 97 4.341 15.498 -6.328 1.00 25.32 H new ATOM 0 HB3 GLU A 97 3.715 16.257 -4.879 1.00 25.32 H new ATOM 0 HG2 GLU A 97 5.367 14.761 -3.570 1.00 32.32 H new ATOM 0 HG3 GLU A 97 6.101 14.403 -5.120 1.00 32.32 H new ATOM 1635 N VAL A 98 4.051 11.934 -4.733 1.00 11.33 N ATOM 1636 CA VAL A 98 4.419 10.589 -5.202 1.00 51.14 C ATOM 1637 C VAL A 98 3.148 9.951 -5.800 1.00 34.34 C ATOM 1638 O VAL A 98 3.185 9.369 -6.883 1.00 73.34 O ATOM 1639 CB VAL A 98 5.009 9.745 -4.052 1.00 31.32 C ATOM 1640 CG1 VAL A 98 5.248 8.274 -4.437 1.00 41.41 C ATOM 1641 CG2 VAL A 98 6.348 10.314 -3.564 1.00 12.01 C ATOM 0 H VAL A 98 4.183 12.102 -3.736 1.00 11.33 H new ATOM 0 HA VAL A 98 5.198 10.641 -5.963 1.00 51.14 H new ATOM 0 HB VAL A 98 4.257 9.789 -3.264 1.00 31.32 H new ATOM 0 HG11 VAL A 98 5.663 7.738 -3.584 1.00 41.41 H new ATOM 0 HG12 VAL A 98 4.303 7.816 -4.728 1.00 41.41 H new ATOM 0 HG13 VAL A 98 5.947 8.225 -5.272 1.00 41.41 H new ATOM 0 HG21 VAL A 98 6.733 9.694 -2.754 1.00 12.01 H new ATOM 0 HG22 VAL A 98 7.062 10.321 -4.387 1.00 12.01 H new ATOM 0 HG23 VAL A 98 6.201 11.332 -3.203 1.00 12.01 H new ATOM 1651 N TYR A 99 2.006 10.096 -5.120 1.00 30.24 N ATOM 1652 CA TYR A 99 0.722 9.566 -5.541 1.00 25.41 C ATOM 1653 C TYR A 99 0.249 10.152 -6.858 1.00 52.34 C ATOM 1654 O TYR A 99 0.014 9.393 -7.793 1.00 32.22 O ATOM 1655 CB TYR A 99 -0.343 9.856 -4.480 1.00 31.25 C ATOM 1656 CG TYR A 99 -1.778 9.722 -4.976 1.00 43.03 C ATOM 1657 CD1 TYR A 99 -2.228 8.525 -5.569 1.00 50.41 C ATOM 1658 CD2 TYR A 99 -2.604 10.862 -5.002 1.00 61.13 C ATOM 1659 CE1 TYR A 99 -3.470 8.483 -6.229 1.00 3.41 C ATOM 1660 CE2 TYR A 99 -3.846 10.826 -5.654 1.00 51.30 C ATOM 1661 CZ TYR A 99 -4.274 9.645 -6.299 1.00 3.45 C ATOM 1662 OH TYR A 99 -5.453 9.641 -6.984 1.00 2.23 O ATOM 0 H TYR A 99 1.957 10.602 -4.236 1.00 30.24 H new ATOM 0 HA TYR A 99 0.862 8.493 -5.672 1.00 25.41 H new ATOM 0 HB2 TYR A 99 -0.197 9.176 -3.640 1.00 31.25 H new ATOM 0 HB3 TYR A 99 -0.195 10.867 -4.101 1.00 31.25 H new ATOM 0 HD1 TYR A 99 -1.617 7.636 -5.517 1.00 50.41 H new ATOM 0 HD2 TYR A 99 -2.279 11.771 -4.517 1.00 61.13 H new ATOM 0 HE1 TYR A 99 -3.810 7.563 -6.682 1.00 3.41 H new ATOM 0 HE2 TYR A 99 -4.476 11.703 -5.663 1.00 51.30 H new ATOM 0 HH TYR A 99 -5.870 10.526 -6.923 1.00 2.23 H new ATOM 1672 N GLU A 100 0.056 11.472 -6.944 1.00 73.54 N ATOM 1673 CA GLU A 100 -0.443 12.036 -8.197 1.00 5.31 C ATOM 1674 C GLU A 100 0.482 11.792 -9.389 1.00 23.24 C ATOM 1675 O GLU A 100 -0.015 11.792 -10.518 1.00 41.33 O ATOM 1676 CB GLU A 100 -0.816 13.514 -8.062 1.00 51.03 C ATOM 1677 CG GLU A 100 0.308 14.352 -7.464 1.00 44.13 C ATOM 1678 CD GLU A 100 0.147 15.828 -7.780 1.00 24.41 C ATOM 1679 OE1 GLU A 100 -0.699 16.465 -7.107 1.00 70.11 O ATOM 1680 OE2 GLU A 100 0.855 16.326 -8.681 1.00 70.10 O ATOM 0 H GLU A 100 0.229 12.143 -6.196 1.00 73.54 H new ATOM 0 HA GLU A 100 -1.360 11.488 -8.413 1.00 5.31 H new ATOM 0 HB2 GLU A 100 -1.076 13.910 -9.044 1.00 51.03 H new ATOM 0 HB3 GLU A 100 -1.704 13.605 -7.436 1.00 51.03 H new ATOM 0 HG2 GLU A 100 0.328 14.213 -6.383 1.00 44.13 H new ATOM 0 HG3 GLU A 100 1.266 14.001 -7.849 1.00 44.13 H new ATOM 1687 N SER A 101 1.772 11.530 -9.167 1.00 21.22 N ATOM 1688 CA SER A 101 2.706 11.279 -10.248 1.00 10.25 C ATOM 1689 C SER A 101 2.687 9.809 -10.664 1.00 31.53 C ATOM 1690 O SER A 101 2.746 9.546 -11.865 1.00 51.02 O ATOM 1691 CB SER A 101 4.102 11.709 -9.786 1.00 51.01 C ATOM 1692 OG SER A 101 5.064 11.818 -10.829 1.00 31.43 O ATOM 0 H SER A 101 2.189 11.488 -8.237 1.00 21.22 H new ATOM 0 HA SER A 101 2.417 11.856 -11.127 1.00 10.25 H new ATOM 0 HB2 SER A 101 4.023 12.672 -9.281 1.00 51.01 H new ATOM 0 HB3 SER A 101 4.464 10.991 -9.050 1.00 51.01 H new ATOM 0 HG SER A 101 5.925 12.098 -10.452 1.00 31.43 H new ATOM 1698 N GLU A 102 2.498 8.864 -9.735 1.00 64.50 N ATOM 1699 CA GLU A 102 2.512 7.434 -10.050 1.00 2.02 C ATOM 1700 C GLU A 102 1.157 6.702 -10.000 1.00 10.31 C ATOM 1701 O GLU A 102 1.116 5.481 -10.186 1.00 30.13 O ATOM 1702 CB GLU A 102 3.614 6.751 -9.221 1.00 23.55 C ATOM 1703 CG GLU A 102 5.038 7.094 -9.712 1.00 54.40 C ATOM 1704 CD GLU A 102 5.406 6.555 -11.110 1.00 64.42 C ATOM 1705 OE1 GLU A 102 4.585 5.868 -11.772 1.00 24.34 O ATOM 1706 OE2 GLU A 102 6.531 6.852 -11.564 1.00 33.52 O ATOM 0 H GLU A 102 2.332 9.069 -8.750 1.00 64.50 H new ATOM 0 HA GLU A 102 2.745 7.356 -11.112 1.00 2.02 H new ATOM 0 HB2 GLU A 102 3.514 7.049 -8.177 1.00 23.55 H new ATOM 0 HB3 GLU A 102 3.473 5.671 -9.259 1.00 23.55 H new ATOM 0 HG2 GLU A 102 5.150 8.178 -9.719 1.00 54.40 H new ATOM 0 HG3 GLU A 102 5.756 6.704 -8.991 1.00 54.40 H new ATOM 1713 N LYS A 103 0.046 7.414 -9.796 1.00 32.41 N ATOM 1714 CA LYS A 103 -1.307 6.831 -9.727 1.00 64.11 C ATOM 1715 C LYS A 103 -1.666 5.930 -10.923 1.00 3.31 C ATOM 1716 O LYS A 103 -1.336 6.249 -12.070 1.00 74.21 O ATOM 1717 CB LYS A 103 -2.366 7.952 -9.610 1.00 74.50 C ATOM 1718 CG LYS A 103 -2.224 9.074 -10.661 1.00 4.42 C ATOM 1719 CD LYS A 103 -3.544 9.689 -11.148 1.00 11.11 C ATOM 1720 CE LYS A 103 -4.206 10.631 -10.135 1.00 23.41 C ATOM 1721 NZ LYS A 103 -5.396 11.289 -10.717 1.00 31.21 N ATOM 0 H LYS A 103 0.055 8.426 -9.672 1.00 32.41 H new ATOM 0 HA LYS A 103 -1.306 6.197 -8.840 1.00 64.11 H new ATOM 0 HB2 LYS A 103 -3.358 7.509 -9.700 1.00 74.50 H new ATOM 0 HB3 LYS A 103 -2.303 8.392 -8.615 1.00 74.50 H new ATOM 0 HG2 LYS A 103 -1.606 9.867 -10.240 1.00 4.42 H new ATOM 0 HG3 LYS A 103 -1.688 8.676 -11.523 1.00 4.42 H new ATOM 0 HD2 LYS A 103 -3.358 10.238 -12.071 1.00 11.11 H new ATOM 0 HD3 LYS A 103 -4.240 8.885 -11.390 1.00 11.11 H new ATOM 0 HE2 LYS A 103 -4.495 10.069 -9.247 1.00 23.41 H new ATOM 0 HE3 LYS A 103 -3.489 11.387 -9.815 1.00 23.41 H new ATOM 0 HZ1 LYS A 103 -5.824 11.920 -10.010 1.00 31.21 H new ATOM 0 HZ2 LYS A 103 -5.113 11.843 -11.550 1.00 31.21 H new ATOM 0 HZ3 LYS A 103 -6.088 10.567 -11.000 1.00 31.21 H new ATOM 1735 N ASP A 104 -2.353 4.808 -10.674 1.00 22.14 N ATOM 1736 CA ASP A 104 -2.780 3.926 -11.767 1.00 72.41 C ATOM 1737 C ASP A 104 -4.058 4.508 -12.374 1.00 53.43 C ATOM 1738 O ASP A 104 -4.592 5.501 -11.876 1.00 23.25 O ATOM 1739 CB ASP A 104 -3.112 2.499 -11.306 1.00 34.55 C ATOM 1740 CG ASP A 104 -2.804 1.512 -12.435 1.00 71.23 C ATOM 1741 OD1 ASP A 104 -1.636 1.106 -12.610 1.00 22.43 O ATOM 1742 OD2 ASP A 104 -3.735 1.174 -13.202 1.00 72.53 O ATOM 0 H ASP A 104 -2.621 4.493 -9.742 1.00 22.14 H new ATOM 0 HA ASP A 104 -1.951 3.869 -12.473 1.00 72.41 H new ATOM 0 HB2 ASP A 104 -2.530 2.247 -10.420 1.00 34.55 H new ATOM 0 HB3 ASP A 104 -4.163 2.431 -11.026 1.00 34.55 H new ATOM 1747 N GLU A 105 -4.586 3.891 -13.430 1.00 30.14 N ATOM 1748 CA GLU A 105 -5.819 4.322 -14.074 1.00 72.23 C ATOM 1749 C GLU A 105 -6.989 4.166 -13.101 1.00 12.13 C ATOM 1750 O GLU A 105 -7.963 4.916 -13.193 1.00 44.43 O ATOM 1751 CB GLU A 105 -6.093 3.424 -15.286 1.00 44.01 C ATOM 1752 CG GLU A 105 -7.114 3.987 -16.278 1.00 53.12 C ATOM 1753 CD GLU A 105 -6.537 5.157 -17.071 1.00 31.22 C ATOM 1754 OE1 GLU A 105 -5.459 4.987 -17.689 1.00 52.12 O ATOM 1755 OE2 GLU A 105 -7.179 6.230 -17.105 1.00 45.23 O ATOM 0 H GLU A 105 -4.163 3.070 -13.864 1.00 30.14 H new ATOM 0 HA GLU A 105 -5.716 5.364 -14.379 1.00 72.23 H new ATOM 0 HB2 GLU A 105 -5.154 3.248 -15.811 1.00 44.01 H new ATOM 0 HB3 GLU A 105 -6.446 2.455 -14.932 1.00 44.01 H new ATOM 0 HG2 GLU A 105 -7.428 3.201 -16.964 1.00 53.12 H new ATOM 0 HG3 GLU A 105 -8.004 4.314 -15.740 1.00 53.12 H new ATOM 1762 N ASP A 106 -6.927 3.176 -12.195 1.00 73.31 N ATOM 1763 CA ASP A 106 -8.022 2.965 -11.243 1.00 54.41 C ATOM 1764 C ASP A 106 -7.892 3.892 -10.033 1.00 52.01 C ATOM 1765 O ASP A 106 -8.862 4.116 -9.311 1.00 53.11 O ATOM 1766 CB ASP A 106 -8.247 1.483 -10.908 1.00 10.21 C ATOM 1767 CG ASP A 106 -7.399 0.851 -9.806 1.00 44.22 C ATOM 1768 OD1 ASP A 106 -6.382 1.443 -9.378 1.00 34.15 O ATOM 1769 OD2 ASP A 106 -7.719 -0.310 -9.452 1.00 32.41 O ATOM 0 H ASP A 106 -6.148 2.524 -12.104 1.00 73.31 H new ATOM 0 HA ASP A 106 -8.952 3.257 -11.731 1.00 54.41 H new ATOM 0 HB2 ASP A 106 -9.294 1.360 -10.633 1.00 10.21 H new ATOM 0 HB3 ASP A 106 -8.088 0.908 -11.820 1.00 10.21 H new ATOM 1774 N GLY A 107 -6.720 4.507 -9.853 1.00 13.13 N ATOM 1775 CA GLY A 107 -6.430 5.438 -8.781 1.00 71.30 C ATOM 1776 C GLY A 107 -5.666 4.839 -7.606 1.00 45.20 C ATOM 1777 O GLY A 107 -5.261 5.617 -6.736 1.00 1.24 O ATOM 0 H GLY A 107 -5.926 4.359 -10.476 1.00 13.13 H new ATOM 0 HA2 GLY A 107 -5.853 6.269 -9.186 1.00 71.30 H new ATOM 0 HA3 GLY A 107 -7.369 5.851 -8.413 1.00 71.30 H new ATOM 1781 N PHE A 108 -5.511 3.515 -7.494 1.00 30.33 N ATOM 1782 CA PHE A 108 -4.733 2.962 -6.386 1.00 21.32 C ATOM 1783 C PHE A 108 -3.254 3.271 -6.679 1.00 41.01 C ATOM 1784 O PHE A 108 -2.874 3.501 -7.833 1.00 74.51 O ATOM 1785 CB PHE A 108 -4.925 1.448 -6.242 1.00 70.42 C ATOM 1786 CG PHE A 108 -6.092 0.944 -5.429 1.00 64.10 C ATOM 1787 CD1 PHE A 108 -6.102 1.167 -4.042 1.00 64.34 C ATOM 1788 CD2 PHE A 108 -7.080 0.131 -6.014 1.00 31.44 C ATOM 1789 CE1 PHE A 108 -7.110 0.599 -3.248 1.00 14.42 C ATOM 1790 CE2 PHE A 108 -8.093 -0.433 -5.217 1.00 52.31 C ATOM 1791 CZ PHE A 108 -8.109 -0.192 -3.834 1.00 43.00 C ATOM 0 H PHE A 108 -5.902 2.826 -8.137 1.00 30.33 H new ATOM 0 HA PHE A 108 -5.066 3.410 -5.450 1.00 21.32 H new ATOM 0 HB2 PHE A 108 -5.013 1.028 -7.244 1.00 70.42 H new ATOM 0 HB3 PHE A 108 -4.015 1.039 -5.804 1.00 70.42 H new ATOM 0 HD1 PHE A 108 -5.334 1.775 -3.587 1.00 64.34 H new ATOM 0 HD2 PHE A 108 -7.061 -0.060 -7.077 1.00 31.44 H new ATOM 0 HE1 PHE A 108 -7.117 0.772 -2.182 1.00 14.42 H new ATOM 0 HE2 PHE A 108 -8.856 -1.050 -5.668 1.00 52.31 H new ATOM 0 HZ PHE A 108 -8.891 -0.616 -3.221 1.00 43.00 H new ATOM 1801 N LEU A 109 -2.423 3.298 -5.634 1.00 64.42 N ATOM 1802 CA LEU A 109 -0.989 3.568 -5.730 1.00 3.44 C ATOM 1803 C LEU A 109 -0.191 2.271 -5.523 1.00 32.31 C ATOM 1804 O LEU A 109 -0.175 1.777 -4.397 1.00 41.10 O ATOM 1805 CB LEU A 109 -0.653 4.632 -4.667 1.00 50.22 C ATOM 1806 CG LEU A 109 0.586 5.472 -4.960 1.00 1.12 C ATOM 1807 CD1 LEU A 109 0.903 6.333 -3.732 1.00 3.45 C ATOM 1808 CD2 LEU A 109 1.837 4.705 -5.390 1.00 23.21 C ATOM 0 H LEU A 109 -2.736 3.129 -4.678 1.00 64.42 H new ATOM 0 HA LEU A 109 -0.719 3.943 -6.717 1.00 3.44 H new ATOM 0 HB2 LEU A 109 -1.508 5.299 -4.561 1.00 50.22 H new ATOM 0 HB3 LEU A 109 -0.516 4.134 -3.707 1.00 50.22 H new ATOM 0 HG LEU A 109 0.326 6.073 -5.832 1.00 1.12 H new ATOM 0 HD11 LEU A 109 1.788 6.938 -3.930 1.00 3.45 H new ATOM 0 HD12 LEU A 109 0.057 6.986 -3.517 1.00 3.45 H new ATOM 0 HD13 LEU A 109 1.090 5.688 -2.874 1.00 3.45 H new ATOM 0 HD21 LEU A 109 2.651 5.408 -5.570 1.00 23.21 H new ATOM 0 HD22 LEU A 109 2.126 4.009 -4.602 1.00 23.21 H new ATOM 0 HD23 LEU A 109 1.627 4.151 -6.305 1.00 23.21 H new ATOM 1820 N TYR A 110 0.447 1.688 -6.542 1.00 1.42 N ATOM 1821 CA TYR A 110 1.222 0.455 -6.375 1.00 10.05 C ATOM 1822 C TYR A 110 2.636 0.705 -5.864 1.00 1.11 C ATOM 1823 O TYR A 110 3.360 1.562 -6.375 1.00 41.32 O ATOM 1824 CB TYR A 110 1.415 -0.307 -7.690 1.00 72.31 C ATOM 1825 CG TYR A 110 0.201 -0.993 -8.257 1.00 61.31 C ATOM 1826 CD1 TYR A 110 -0.258 -2.207 -7.706 1.00 64.53 C ATOM 1827 CD2 TYR A 110 -0.444 -0.432 -9.368 1.00 43.33 C ATOM 1828 CE1 TYR A 110 -1.400 -2.834 -8.236 1.00 70.13 C ATOM 1829 CE2 TYR A 110 -1.558 -1.069 -9.924 1.00 71.43 C ATOM 1830 CZ TYR A 110 -2.068 -2.243 -9.333 1.00 25.23 C ATOM 1831 OH TYR A 110 -3.248 -2.742 -9.782 1.00 30.24 O ATOM 0 H TYR A 110 0.442 2.052 -7.495 1.00 1.42 H new ATOM 0 HA TYR A 110 0.632 -0.116 -5.659 1.00 10.05 H new ATOM 0 HB2 TYR A 110 1.791 0.392 -8.437 1.00 72.31 H new ATOM 0 HB3 TYR A 110 2.190 -1.058 -7.538 1.00 72.31 H new ATOM 0 HD1 TYR A 110 0.268 -2.656 -6.876 1.00 64.53 H new ATOM 0 HD2 TYR A 110 -0.081 0.491 -9.794 1.00 43.33 H new ATOM 0 HE1 TYR A 110 -1.763 -3.757 -7.809 1.00 70.13 H new ATOM 0 HE2 TYR A 110 -2.028 -0.661 -10.807 1.00 71.43 H new ATOM 0 HH TYR A 110 -3.561 -2.208 -10.542 1.00 30.24 H new ATOM 1841 N MET A 111 3.064 -0.114 -4.907 1.00 30.34 N ATOM 1842 CA MET A 111 4.388 -0.090 -4.319 1.00 70.32 C ATOM 1843 C MET A 111 4.778 -1.541 -4.053 1.00 5.25 C ATOM 1844 O MET A 111 3.940 -2.364 -3.662 1.00 34.33 O ATOM 1845 CB MET A 111 4.461 0.750 -3.041 1.00 51.43 C ATOM 1846 CG MET A 111 4.225 2.236 -3.307 1.00 71.22 C ATOM 1847 SD MET A 111 4.660 3.297 -1.907 1.00 63.20 S ATOM 1848 CE MET A 111 4.382 4.914 -2.674 1.00 33.53 C ATOM 0 H MET A 111 2.469 -0.840 -4.508 1.00 30.34 H new ATOM 0 HA MET A 111 5.085 0.388 -5.007 1.00 70.32 H new ATOM 0 HB2 MET A 111 3.719 0.389 -2.329 1.00 51.43 H new ATOM 0 HB3 MET A 111 5.439 0.617 -2.577 1.00 51.43 H new ATOM 0 HG2 MET A 111 4.808 2.538 -4.177 1.00 71.22 H new ATOM 0 HG3 MET A 111 3.175 2.390 -3.557 1.00 71.22 H new ATOM 0 HE1 MET A 111 4.719 5.700 -1.998 1.00 33.53 H new ATOM 0 HE2 MET A 111 4.941 4.975 -3.608 1.00 33.53 H new ATOM 0 HE3 MET A 111 3.319 5.042 -2.878 1.00 33.53 H new ATOM 1858 N VAL A 112 6.050 -1.869 -4.269 1.00 5.44 N ATOM 1859 CA VAL A 112 6.581 -3.211 -4.064 1.00 41.01 C ATOM 1860 C VAL A 112 7.851 -3.069 -3.241 1.00 24.31 C ATOM 1861 O VAL A 112 8.593 -2.111 -3.455 1.00 41.32 O ATOM 1862 CB VAL A 112 6.845 -3.954 -5.394 1.00 23.43 C ATOM 1863 CG1 VAL A 112 6.704 -5.466 -5.189 1.00 34.52 C ATOM 1864 CG2 VAL A 112 5.920 -3.551 -6.548 1.00 41.12 C ATOM 0 H VAL A 112 6.748 -1.201 -4.595 1.00 5.44 H new ATOM 0 HA VAL A 112 5.847 -3.821 -3.538 1.00 41.01 H new ATOM 0 HB VAL A 112 7.859 -3.669 -5.676 1.00 23.43 H new ATOM 0 HG11 VAL A 112 6.892 -5.980 -6.132 1.00 34.52 H new ATOM 0 HG12 VAL A 112 7.425 -5.801 -4.443 1.00 34.52 H new ATOM 0 HG13 VAL A 112 5.695 -5.694 -4.846 1.00 34.52 H new ATOM 0 HG21 VAL A 112 6.179 -4.123 -7.439 1.00 41.12 H new ATOM 0 HG22 VAL A 112 4.885 -3.756 -6.273 1.00 41.12 H new ATOM 0 HG23 VAL A 112 6.037 -2.487 -6.754 1.00 41.12 H new ATOM 1874 N TYR A 113 8.124 -4.007 -2.331 1.00 44.13 N ATOM 1875 CA TYR A 113 9.324 -3.928 -1.495 1.00 50.01 C ATOM 1876 C TYR A 113 10.209 -5.167 -1.594 1.00 14.42 C ATOM 1877 O TYR A 113 9.696 -6.279 -1.772 1.00 72.42 O ATOM 1878 CB TYR A 113 8.912 -3.646 -0.047 1.00 61.12 C ATOM 1879 CG TYR A 113 8.241 -4.798 0.685 1.00 24.13 C ATOM 1880 CD1 TYR A 113 6.844 -4.954 0.627 1.00 3.24 C ATOM 1881 CD2 TYR A 113 9.013 -5.717 1.425 1.00 41.03 C ATOM 1882 CE1 TYR A 113 6.218 -5.999 1.327 1.00 70.44 C ATOM 1883 CE2 TYR A 113 8.396 -6.775 2.117 1.00 14.14 C ATOM 1884 CZ TYR A 113 6.991 -6.914 2.075 1.00 53.00 C ATOM 1885 OH TYR A 113 6.370 -7.914 2.750 1.00 62.42 O ATOM 0 H TYR A 113 7.537 -4.822 -2.155 1.00 44.13 H new ATOM 0 HA TYR A 113 9.936 -3.107 -1.868 1.00 50.01 H new ATOM 0 HB2 TYR A 113 9.800 -3.352 0.513 1.00 61.12 H new ATOM 0 HB3 TYR A 113 8.234 -2.792 -0.041 1.00 61.12 H new ATOM 0 HD1 TYR A 113 6.250 -4.267 0.042 1.00 3.24 H new ATOM 0 HD2 TYR A 113 10.087 -5.608 1.461 1.00 41.03 H new ATOM 0 HE1 TYR A 113 5.144 -6.103 1.293 1.00 70.44 H new ATOM 0 HE2 TYR A 113 8.994 -7.478 2.678 1.00 14.14 H new ATOM 0 HH TYR A 113 7.000 -8.324 3.379 1.00 62.42 H new ATOM 1895 N ALA A 114 11.524 -4.965 -1.437 1.00 14.11 N ATOM 1896 CA ALA A 114 12.538 -6.019 -1.479 1.00 71.10 C ATOM 1897 C ALA A 114 13.853 -5.541 -0.843 1.00 41.34 C ATOM 1898 O ALA A 114 14.014 -4.362 -0.531 1.00 42.40 O ATOM 1899 CB ALA A 114 12.763 -6.469 -2.926 1.00 50.43 C ATOM 0 H ALA A 114 11.919 -4.039 -1.273 1.00 14.11 H new ATOM 0 HA ALA A 114 12.181 -6.870 -0.900 1.00 71.10 H new ATOM 0 HB1 ALA A 114 13.519 -7.254 -2.950 1.00 50.43 H new ATOM 0 HB2 ALA A 114 11.829 -6.852 -3.337 1.00 50.43 H new ATOM 0 HB3 ALA A 114 13.101 -5.621 -3.522 1.00 50.43 H new ATOM 1905 N SER A 115 14.803 -6.451 -0.614 1.00 32.13 N ATOM 1906 CA SER A 115 16.104 -6.149 -0.028 1.00 64.33 C ATOM 1907 C SER A 115 17.120 -6.161 -1.172 1.00 71.21 C ATOM 1908 O SER A 115 17.894 -7.107 -1.327 1.00 64.53 O ATOM 1909 CB SER A 115 16.386 -7.166 1.093 1.00 45.34 C ATOM 1910 OG SER A 115 17.534 -6.873 1.874 1.00 44.34 O ATOM 0 H SER A 115 14.683 -7.439 -0.837 1.00 32.13 H new ATOM 0 HA SER A 115 16.154 -5.168 0.444 1.00 64.33 H new ATOM 0 HB2 SER A 115 15.517 -7.215 1.750 1.00 45.34 H new ATOM 0 HB3 SER A 115 16.506 -8.154 0.649 1.00 45.34 H new ATOM 0 HG SER A 115 17.495 -5.942 2.176 1.00 44.34 H new ATOM 1916 N GLN A 116 17.136 -5.077 -1.950 1.00 34.21 N ATOM 1917 CA GLN A 116 17.987 -4.816 -3.110 1.00 74.10 C ATOM 1918 C GLN A 116 17.588 -3.440 -3.652 1.00 23.21 C ATOM 1919 O GLN A 116 16.448 -3.021 -3.461 1.00 11.05 O ATOM 1920 CB GLN A 116 17.859 -5.921 -4.185 1.00 2.43 C ATOM 1921 CG GLN A 116 16.470 -6.551 -4.401 1.00 2.04 C ATOM 1922 CD GLN A 116 15.669 -5.805 -5.440 1.00 51.23 C ATOM 1923 OE1 GLN A 116 14.762 -5.040 -5.154 1.00 64.14 O ATOM 1924 NE2 GLN A 116 16.006 -6.011 -6.688 1.00 62.42 N ATOM 0 H GLN A 116 16.503 -4.298 -1.770 1.00 34.21 H new ATOM 0 HA GLN A 116 19.038 -4.822 -2.820 1.00 74.10 H new ATOM 0 HB2 GLN A 116 18.190 -5.504 -5.136 1.00 2.43 H new ATOM 0 HB3 GLN A 116 18.554 -6.721 -3.929 1.00 2.43 H new ATOM 0 HG2 GLN A 116 16.587 -7.590 -4.710 1.00 2.04 H new ATOM 0 HG3 GLN A 116 15.924 -6.558 -3.458 1.00 2.04 H new ATOM 0 HE21 GLN A 116 16.766 -6.653 -6.912 1.00 62.42 H new ATOM 0 HE22 GLN A 116 15.508 -5.529 -7.437 1.00 62.42 H new ATOM 1933 N GLU A 117 18.529 -2.707 -4.241 1.00 13.23 N ATOM 1934 CA GLU A 117 18.295 -1.373 -4.801 1.00 21.51 C ATOM 1935 C GLU A 117 17.959 -1.391 -6.306 1.00 3.41 C ATOM 1936 O GLU A 117 17.436 -0.400 -6.823 1.00 41.21 O ATOM 1937 CB GLU A 117 19.540 -0.512 -4.520 1.00 54.44 C ATOM 1938 CG GLU A 117 19.251 0.997 -4.536 1.00 30.31 C ATOM 1939 CD GLU A 117 20.517 1.822 -4.299 1.00 50.24 C ATOM 1940 OE1 GLU A 117 21.017 1.919 -3.146 1.00 2.12 O ATOM 1941 OE2 GLU A 117 21.025 2.416 -5.281 1.00 22.35 O ATOM 0 H GLU A 117 19.492 -3.026 -4.346 1.00 13.23 H new ATOM 0 HA GLU A 117 17.415 -0.948 -4.319 1.00 21.51 H new ATOM 0 HB2 GLU A 117 19.951 -0.786 -3.548 1.00 54.44 H new ATOM 0 HB3 GLU A 117 20.304 -0.737 -5.264 1.00 54.44 H new ATOM 0 HG2 GLU A 117 18.812 1.273 -5.495 1.00 30.31 H new ATOM 0 HG3 GLU A 117 18.514 1.234 -3.768 1.00 30.31 H new ATOM 1948 N THR A 118 18.227 -2.496 -7.011 1.00 52.33 N ATOM 1949 CA THR A 118 17.999 -2.640 -8.450 1.00 44.42 C ATOM 1950 C THR A 118 17.549 -4.061 -8.814 1.00 51.42 C ATOM 1951 O THR A 118 18.156 -5.037 -8.362 1.00 50.40 O ATOM 1952 CB THR A 118 19.307 -2.288 -9.203 1.00 2.12 C ATOM 1953 OG1 THR A 118 20.470 -2.686 -8.485 1.00 51.34 O ATOM 1954 CG2 THR A 118 19.432 -0.786 -9.474 1.00 50.44 C ATOM 0 H THR A 118 18.618 -3.335 -6.584 1.00 52.33 H new ATOM 0 HA THR A 118 17.199 -1.960 -8.744 1.00 44.42 H new ATOM 0 HB THR A 118 19.244 -2.836 -10.143 1.00 2.12 H new ATOM 0 HG1 THR A 118 21.270 -2.446 -8.998 1.00 51.34 H new ATOM 0 HG21 THR A 118 20.364 -0.588 -10.003 1.00 50.44 H new ATOM 0 HG22 THR A 118 18.591 -0.455 -10.084 1.00 50.44 H new ATOM 0 HG23 THR A 118 19.430 -0.244 -8.528 1.00 50.44 H new ATOM 1962 N PHE A 119 16.476 -4.180 -9.609 1.00 2.43 N ATOM 1963 CA PHE A 119 15.920 -5.449 -10.067 1.00 64.44 C ATOM 1964 C PHE A 119 16.785 -6.016 -11.174 1.00 4.34 C ATOM 1965 O PHE A 119 16.723 -5.510 -12.316 1.00 23.32 O ATOM 1966 CB PHE A 119 14.465 -5.290 -10.545 1.00 61.33 C ATOM 1967 CG PHE A 119 13.436 -5.200 -9.434 1.00 65.31 C ATOM 1968 CD1 PHE A 119 13.453 -6.146 -8.392 1.00 51.44 C ATOM 1969 CD2 PHE A 119 12.441 -4.205 -9.447 1.00 12.31 C ATOM 1970 CE1 PHE A 119 12.565 -6.023 -7.316 1.00 21.34 C ATOM 1971 CE2 PHE A 119 11.503 -4.136 -8.400 1.00 51.32 C ATOM 1972 CZ PHE A 119 11.586 -5.025 -7.313 1.00 70.32 C ATOM 0 H PHE A 119 15.961 -3.371 -9.957 1.00 2.43 H new ATOM 0 HA PHE A 119 15.912 -6.142 -9.225 1.00 64.44 H new ATOM 0 HB2 PHE A 119 14.395 -4.392 -11.159 1.00 61.33 H new ATOM 0 HB3 PHE A 119 14.214 -6.135 -11.186 1.00 61.33 H new ATOM 0 HD1 PHE A 119 14.152 -6.968 -8.422 1.00 51.44 H new ATOM 0 HD2 PHE A 119 12.397 -3.495 -10.260 1.00 12.31 H new ATOM 0 HE1 PHE A 119 12.637 -6.705 -6.482 1.00 21.34 H new ATOM 0 HE2 PHE A 119 10.716 -3.397 -8.431 1.00 51.32 H new ATOM 0 HZ PHE A 119 10.900 -4.937 -6.484 1.00 70.32 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -28.160 -7.829 -5.101 1.00 41.12 N ATOM 1984 CA ASN B 169 -27.262 -8.255 -6.185 1.00 61.14 C ATOM 1985 C ASN B 169 -25.858 -8.471 -5.641 1.00 5.43 C ATOM 1986 O ASN B 169 -25.361 -9.586 -5.769 1.00 2.23 O ATOM 1987 CB ASN B 169 -27.295 -7.321 -7.406 1.00 72.44 C ATOM 1988 CG ASN B 169 -27.242 -5.835 -7.053 1.00 64.30 C ATOM 1989 OD1 ASN B 169 -26.919 -5.462 -5.932 1.00 33.41 O ATOM 1990 ND2 ASN B 169 -27.630 -4.964 -7.963 1.00 52.33 N ATOM 0 HA ASN B 169 -27.629 -9.208 -6.565 1.00 61.14 H new ATOM 0 HB2 ASN B 169 -26.453 -7.560 -8.056 1.00 72.44 H new ATOM 0 HB3 ASN B 169 -28.203 -7.516 -7.976 1.00 72.44 H new ATOM 0 HD21 ASN B 169 -27.663 -3.970 -7.736 1.00 52.33 H new ATOM 0 HD22 ASN B 169 -27.897 -5.284 -8.894 1.00 52.33 H new HETATM 1997 N SEP B 170 -25.248 -7.491 -4.976 1.00 13.05 N HETATM 1998 CA SEP B 170 -23.905 -7.574 -4.415 1.00 10.44 C HETATM 1999 CB SEP B 170 -22.945 -6.818 -5.341 1.00 50.13 C HETATM 2000 OG SEP B 170 -23.556 -5.618 -5.783 1.00 70.51 O HETATM 2001 C SEP B 170 -23.881 -7.090 -2.958 1.00 33.33 C HETATM 2002 O SEP B 170 -22.977 -6.353 -2.551 1.00 44.23 O HETATM 2003 P SEP B 170 -22.739 -4.523 -6.582 1.00 70.10 P HETATM 2004 O1P SEP B 170 -23.803 -3.611 -7.035 1.00 62.13 O HETATM 2005 O2P SEP B 170 -21.812 -3.989 -5.567 1.00 1.25 O HETATM 2006 O3P SEP B 170 -22.130 -5.295 -7.683 1.00 71.12 O HETATM 0 HB3 SEP B 170 -22.018 -6.593 -4.814 1.00 50.13 H new HETATM 0 HB2 SEP B 170 -22.683 -7.441 -6.196 1.00 50.13 H new HETATM 0 HA SEP B 170 -23.570 -8.610 -4.367 1.00 10.44 H new HETATM 2011 N SEP B 171 -24.969 -7.313 -2.214 1.00 33.31 N HETATM 2012 CA SEP B 171 -25.056 -6.918 -0.812 1.00 74.21 C HETATM 2013 CB SEP B 171 -26.487 -7.104 -0.291 1.00 14.04 C HETATM 2014 OG SEP B 171 -27.133 -8.256 -0.822 1.00 61.34 O HETATM 2015 C SEP B 171 -24.030 -7.714 0.005 1.00 4.21 C HETATM 2016 O SEP B 171 -23.689 -8.853 -0.339 1.00 45.22 O HETATM 2017 P SEP B 171 -28.678 -8.558 -0.499 1.00 52.15 P HETATM 2018 O1P SEP B 171 -28.815 -8.251 0.939 1.00 70.43 O HETATM 2019 O2P SEP B 171 -29.366 -7.625 -1.416 1.00 34.44 O HETATM 2020 O3P SEP B 171 -28.799 -9.974 -0.891 1.00 63.33 O HETATM 0 HB3 SEP B 171 -26.464 -7.177 0.796 1.00 14.04 H new HETATM 0 HB2 SEP B 171 -27.074 -6.220 -0.538 1.00 14.04 H new HETATM 0 HA SEP B 171 -24.818 -5.859 -0.709 1.00 74.21 H new HETATM 0 H SEP B 171 -25.798 -7.654 -2.700 1.00 33.31 H new ATOM 2025 N GLY B 172 -23.475 -7.091 1.040 1.00 54.11 N ATOM 2026 CA GLY B 172 -22.476 -7.639 1.943 1.00 65.52 C ATOM 2027 C GLY B 172 -22.090 -6.542 2.932 1.00 4.02 C ATOM 2028 O GLY B 172 -22.580 -5.413 2.806 1.00 24.32 O ATOM 0 H GLY B 172 -23.728 -6.133 1.283 1.00 54.11 H new ATOM 0 HA2 GLY B 172 -22.873 -8.507 2.470 1.00 65.52 H new ATOM 0 HA3 GLY B 172 -21.602 -7.976 1.386 1.00 65.52 H new HETATM 2032 N SEP B 173 -21.210 -6.845 3.884 1.00 24.54 N HETATM 2033 CA SEP B 173 -20.758 -5.895 4.897 1.00 41.01 C HETATM 2034 CB SEP B 173 -21.175 -6.401 6.281 1.00 65.54 C HETATM 2035 OG SEP B 173 -22.591 -6.372 6.360 1.00 71.21 O HETATM 2036 C SEP B 173 -19.256 -5.628 4.788 1.00 10.43 C HETATM 2037 O SEP B 173 -18.558 -6.226 3.960 1.00 24.35 O HETATM 2038 P SEP B 173 -23.345 -6.605 7.745 1.00 53.40 P HETATM 2039 O1P SEP B 173 -22.739 -5.622 8.661 1.00 11.43 O HETATM 2040 O2P SEP B 173 -24.750 -6.327 7.392 1.00 64.53 O HETATM 2041 O3P SEP B 173 -23.069 -8.011 8.079 1.00 65.25 O HETATM 0 HB3 SEP B 173 -20.807 -7.414 6.441 1.00 65.54 H new HETATM 0 HB2 SEP B 173 -20.739 -5.776 7.061 1.00 65.54 H new HETATM 0 HA SEP B 173 -21.237 -4.930 4.731 1.00 41.01 H new HETATM 2046 N SEP B 174 -18.798 -4.609 5.516 1.00 21.23 N HETATM 2047 CA SEP B 174 -17.408 -4.193 5.547 1.00 51.34 C HETATM 2048 CB SEP B 174 -17.308 -2.859 6.281 1.00 34.43 C HETATM 2049 OG SEP B 174 -18.211 -1.932 5.714 1.00 73.44 O HETATM 2050 C SEP B 174 -16.563 -5.237 6.266 1.00 53.11 C HETATM 2051 O SEP B 174 -17.003 -5.845 7.243 1.00 25.41 O HETATM 2052 P SEP B 174 -18.446 -0.517 6.399 1.00 5.02 P HETATM 2053 O1P SEP B 174 -19.419 0.113 5.485 1.00 45.24 O HETATM 2054 O2P SEP B 174 -18.969 -0.885 7.730 1.00 23.42 O HETATM 2055 O3P SEP B 174 -17.098 0.086 6.400 1.00 10.32 O HETATM 0 HB3 SEP B 174 -17.531 -2.998 7.339 1.00 34.43 H new HETATM 0 HB2 SEP B 174 -16.290 -2.474 6.218 1.00 34.43 H new HETATM 0 HA SEP B 174 -17.038 -4.086 4.527 1.00 51.34 H new HETATM 0 H SEP B 174 -19.515 -4.026 5.948 1.00 21.23 H new ATOM 2060 N GLU B 175 -15.275 -5.265 5.950 1.00 54.02 N ATOM 2061 CA GLU B 175 -14.307 -6.186 6.517 1.00 13.15 C ATOM 2062 C GLU B 175 -12.974 -5.465 6.706 1.00 73.41 C ATOM 2063 O GLU B 175 -12.875 -4.250 6.488 1.00 25.35 O ATOM 2064 CB GLU B 175 -14.132 -7.348 5.528 1.00 74.11 C ATOM 2065 CG GLU B 175 -15.163 -8.463 5.701 1.00 61.53 C ATOM 2066 CD GLU B 175 -14.659 -9.680 4.935 1.00 10.30 C ATOM 2067 OE1 GLU B 175 -13.726 -10.356 5.434 1.00 64.12 O ATOM 2068 OE2 GLU B 175 -15.090 -9.887 3.778 1.00 71.53 O ATOM 0 H GLU B 175 -14.865 -4.625 5.270 1.00 54.02 H new ATOM 0 HA GLU B 175 -14.647 -6.558 7.484 1.00 13.15 H new ATOM 0 HB2 GLU B 175 -14.196 -6.961 4.511 1.00 74.11 H new ATOM 0 HB3 GLU B 175 -13.133 -7.767 5.647 1.00 74.11 H new ATOM 0 HG2 GLU B 175 -15.295 -8.702 6.756 1.00 61.53 H new ATOM 0 HG3 GLU B 175 -16.135 -8.148 5.322 1.00 61.53 H new ATOM 2075 N ASP B 176 -11.972 -6.196 7.199 1.00 1.02 N ATOM 2076 CA ASP B 176 -10.625 -5.683 7.388 1.00 33.24 C ATOM 2077 C ASP B 176 -10.083 -5.560 5.967 1.00 12.23 C ATOM 2078 O ASP B 176 -9.814 -6.564 5.294 1.00 31.21 O ATOM 2079 CB ASP B 176 -9.766 -6.630 8.236 1.00 53.10 C ATOM 2080 CG ASP B 176 -8.271 -6.307 8.142 1.00 71.20 C ATOM 2081 OD1 ASP B 176 -7.880 -5.152 7.861 1.00 73.20 O ATOM 2082 OD2 ASP B 176 -7.462 -7.236 8.382 1.00 65.30 O ATOM 0 H ASP B 176 -12.080 -7.171 7.479 1.00 1.02 H new ATOM 0 HA ASP B 176 -10.613 -4.737 7.929 1.00 33.24 H new ATOM 0 HB2 ASP B 176 -10.083 -6.569 9.277 1.00 53.10 H new ATOM 0 HB3 ASP B 176 -9.934 -7.657 7.911 1.00 53.10 H new HETATM 2087 N SEP B 177 -10.013 -4.331 5.473 1.00 32.23 N HETATM 2088 CA SEP B 177 -9.539 -4.028 4.144 1.00 51.31 C HETATM 2089 CB SEP B 177 -10.631 -3.367 3.309 1.00 31.12 C HETATM 2090 OG SEP B 177 -11.575 -4.372 3.002 1.00 62.51 O HETATM 2091 C SEP B 177 -8.259 -3.237 4.244 1.00 24.22 C HETATM 2092 O SEP B 177 -7.191 -3.814 4.030 1.00 3.12 O HETATM 2093 P SEP B 177 -12.427 -4.326 1.669 1.00 44.43 P HETATM 2094 O1P SEP B 177 -13.143 -3.042 1.744 1.00 25.53 O HETATM 2095 O2P SEP B 177 -11.374 -4.400 0.631 1.00 25.52 O HETATM 2096 O3P SEP B 177 -13.247 -5.541 1.799 1.00 63.44 O HETATM 0 HB3 SEP B 177 -11.100 -2.552 3.861 1.00 31.12 H new HETATM 0 HB2 SEP B 177 -10.214 -2.937 2.398 1.00 31.12 H new HETATM 0 HA SEP B 177 -9.299 -4.945 3.605 1.00 51.31 H new ATOM 2101 N PHE B 178 -8.347 -1.927 4.443 1.00 1.34 N ATOM 2102 CA PHE B 178 -7.178 -1.086 4.543 1.00 45.34 C ATOM 2103 C PHE B 178 -6.679 -1.021 5.975 1.00 10.44 C ATOM 2104 O PHE B 178 -7.460 -1.122 6.927 1.00 30.33 O ATOM 2105 CB PHE B 178 -7.531 0.347 4.118 1.00 42.42 C ATOM 2106 CG PHE B 178 -8.028 0.543 2.698 1.00 33.42 C ATOM 2107 CD1 PHE B 178 -9.386 0.342 2.381 1.00 74.40 C ATOM 2108 CD2 PHE B 178 -7.151 1.026 1.711 1.00 44.23 C ATOM 2109 CE1 PHE B 178 -9.853 0.609 1.082 1.00 4.03 C ATOM 2110 CE2 PHE B 178 -7.624 1.310 0.421 1.00 72.34 C ATOM 2111 CZ PHE B 178 -8.976 1.095 0.098 1.00 32.23 C ATOM 0 H PHE B 178 -9.231 -1.427 4.538 1.00 1.34 H new ATOM 0 HA PHE B 178 -6.410 -1.511 3.897 1.00 45.34 H new ATOM 0 HB2 PHE B 178 -8.294 0.724 4.799 1.00 42.42 H new ATOM 0 HB3 PHE B 178 -6.646 0.969 4.256 1.00 42.42 H new ATOM 0 HD1 PHE B 178 -10.069 -0.018 3.137 1.00 74.40 H new ATOM 0 HD2 PHE B 178 -6.108 1.179 1.947 1.00 44.23 H new ATOM 0 HE1 PHE B 178 -10.892 0.440 0.839 1.00 4.03 H new ATOM 0 HE2 PHE B 178 -6.947 1.695 -0.327 1.00 72.34 H new ATOM 0 HZ PHE B 178 -9.337 1.302 -0.899 1.00 32.23 H new ATOM 2121 N VAL B 179 -5.382 -0.763 6.116 1.00 34.22 N ATOM 2122 CA VAL B 179 -4.727 -0.604 7.399 1.00 10.41 C ATOM 2123 C VAL B 179 -4.198 0.834 7.377 1.00 3.11 C ATOM 2124 O VAL B 179 -3.397 1.225 6.518 1.00 62.23 O ATOM 2125 CB VAL B 179 -3.745 -1.756 7.685 1.00 70.40 C ATOM 2126 CG1 VAL B 179 -2.459 -1.695 6.873 1.00 53.10 C ATOM 2127 CG2 VAL B 179 -3.376 -1.812 9.169 1.00 63.43 C ATOM 0 H VAL B 179 -4.750 -0.658 5.323 1.00 34.22 H new ATOM 0 HA VAL B 179 -5.375 -0.703 8.270 1.00 10.41 H new ATOM 0 HB VAL B 179 -4.282 -2.656 7.385 1.00 70.40 H new ATOM 0 HG11 VAL B 179 -1.823 -2.541 7.134 1.00 53.10 H new ATOM 0 HG12 VAL B 179 -2.698 -1.735 5.810 1.00 53.10 H new ATOM 0 HG13 VAL B 179 -1.934 -0.765 7.092 1.00 53.10 H new ATOM 0 HG21 VAL B 179 -2.682 -2.635 9.341 1.00 63.43 H new ATOM 0 HG22 VAL B 179 -2.906 -0.873 9.463 1.00 63.43 H new ATOM 0 HG23 VAL B 179 -4.277 -1.968 9.762 1.00 63.43 H new ATOM 2137 N GLU B 180 -4.749 1.684 8.242 1.00 65.41 N ATOM 2138 CA GLU B 180 -4.334 3.078 8.295 1.00 25.52 C ATOM 2139 C GLU B 180 -2.988 3.192 8.999 1.00 11.45 C ATOM 2140 O GLU B 180 -2.671 2.436 9.922 1.00 1.33 O ATOM 2141 CB GLU B 180 -5.376 3.997 8.958 1.00 64.22 C ATOM 2142 CG GLU B 180 -6.833 3.546 8.779 1.00 74.10 C ATOM 2143 CD GLU B 180 -7.242 2.591 9.904 1.00 22.45 C ATOM 2144 OE1 GLU B 180 -7.366 3.072 11.055 1.00 13.31 O ATOM 2145 OE2 GLU B 180 -7.363 1.366 9.656 1.00 25.43 O ATOM 0 H GLU B 180 -5.478 1.431 8.909 1.00 65.41 H new ATOM 0 HA GLU B 180 -4.240 3.422 7.265 1.00 25.52 H new ATOM 0 HB2 GLU B 180 -5.158 4.062 10.024 1.00 64.22 H new ATOM 0 HB3 GLU B 180 -5.268 5.002 8.549 1.00 64.22 H new ATOM 0 HG2 GLU B 180 -7.491 4.415 8.775 1.00 74.10 H new ATOM 0 HG3 GLU B 180 -6.951 3.052 7.814 1.00 74.10 H new ATOM 2152 N ILE B 181 -2.189 4.155 8.554 1.00 72.24 N ATOM 2153 CA ILE B 181 -0.881 4.417 9.124 1.00 23.34 C ATOM 2154 C ILE B 181 -1.038 5.295 10.370 1.00 54.33 C ATOM 2155 O ILE B 181 -2.022 6.021 10.518 1.00 45.34 O ATOM 2156 CB ILE B 181 0.000 5.002 7.989 1.00 22.43 C ATOM 2157 CG1 ILE B 181 0.810 3.821 7.426 1.00 74.50 C ATOM 2158 CG2 ILE B 181 0.864 6.217 8.341 1.00 64.24 C ATOM 2159 CD1 ILE B 181 1.788 4.224 6.339 1.00 22.21 C ATOM 0 H ILE B 181 -2.435 4.777 7.784 1.00 72.24 H new ATOM 0 HA ILE B 181 -0.374 3.523 9.486 1.00 23.34 H new ATOM 0 HB ILE B 181 -0.657 5.444 7.240 1.00 22.43 H new ATOM 0 HG12 ILE B 181 1.358 3.346 8.239 1.00 74.50 H new ATOM 0 HG13 ILE B 181 0.122 3.076 7.027 1.00 74.50 H new ATOM 0 HG21 ILE B 181 1.430 6.528 7.463 1.00 64.24 H new ATOM 0 HG22 ILE B 181 0.224 7.036 8.668 1.00 64.24 H new ATOM 0 HG23 ILE B 181 1.554 5.953 9.143 1.00 64.24 H new ATOM 0 HD11 ILE B 181 2.325 3.343 5.988 1.00 22.21 H new ATOM 0 HD12 ILE B 181 1.244 4.673 5.508 1.00 22.21 H new ATOM 0 HD13 ILE B 181 2.499 4.947 6.739 1.00 22.21 H new ATOM 2171 N ARG B 182 -0.093 5.165 11.302 1.00 72.44 N ATOM 2172 CA ARG B 182 -0.035 5.933 12.545 1.00 11.22 C ATOM 2173 C ARG B 182 0.652 7.267 12.231 1.00 34.52 C ATOM 2174 O ARG B 182 0.865 7.584 11.066 1.00 71.42 O ATOM 2175 CB ARG B 182 0.744 5.122 13.596 1.00 3.13 C ATOM 2176 CG ARG B 182 -0.114 4.001 14.189 1.00 4.32 C ATOM 2177 CD ARG B 182 0.739 3.062 15.038 1.00 10.14 C ATOM 2178 NE ARG B 182 -0.094 2.173 15.865 1.00 53.23 N ATOM 2179 CZ ARG B 182 0.319 1.056 16.479 1.00 54.11 C ATOM 2180 NH1 ARG B 182 1.552 0.590 16.291 1.00 73.22 N ATOM 2181 NH2 ARG B 182 -0.515 0.399 17.278 1.00 5.32 N ATOM 0 H ARG B 182 0.676 4.502 11.209 1.00 72.44 H new ATOM 0 HA ARG B 182 -1.028 6.131 12.949 1.00 11.22 H new ATOM 0 HB2 ARG B 182 1.637 4.695 13.139 1.00 3.13 H new ATOM 0 HB3 ARG B 182 1.080 5.785 14.393 1.00 3.13 H new ATOM 0 HG2 ARG B 182 -0.910 4.429 14.799 1.00 4.32 H new ATOM 0 HG3 ARG B 182 -0.593 3.440 13.387 1.00 4.32 H new ATOM 0 HD2 ARG B 182 1.378 2.463 14.389 1.00 10.14 H new ATOM 0 HD3 ARG B 182 1.396 3.648 15.681 1.00 10.14 H new ATOM 0 HE ARG B 182 -1.074 2.431 15.981 1.00 53.23 H new ATOM 0 HH11 ARG B 182 2.195 1.085 15.673 1.00 73.22 H new ATOM 0 HH12 ARG B 182 1.853 -0.262 16.765 1.00 73.22 H new ATOM 0 HH21 ARG B 182 -1.464 0.746 17.421 1.00 5.32 H new ATOM 0 HH22 ARG B 182 -0.207 -0.452 17.748 1.00 5.32 H new ATOM 2195 N MET B 183 0.981 8.063 13.242 1.00 32.13 N ATOM 2196 CA MET B 183 1.664 9.337 13.055 1.00 53.42 C ATOM 2197 C MET B 183 2.828 9.419 14.035 1.00 71.10 C ATOM 2198 O MET B 183 3.040 8.501 14.843 1.00 44.13 O ATOM 2199 CB MET B 183 0.681 10.504 13.196 1.00 11.35 C ATOM 2200 CG MET B 183 -0.325 10.507 12.046 1.00 43.00 C ATOM 2201 SD MET B 183 -1.406 11.961 12.072 1.00 74.42 S ATOM 2202 CE MET B 183 -2.162 11.836 10.436 1.00 62.41 C ATOM 0 H MET B 183 0.781 7.842 14.217 1.00 32.13 H new ATOM 0 HA MET B 183 2.069 9.406 12.045 1.00 53.42 H new ATOM 0 HB2 MET B 183 0.153 10.428 14.147 1.00 11.35 H new ATOM 0 HB3 MET B 183 1.228 11.447 13.209 1.00 11.35 H new ATOM 0 HG2 MET B 183 0.212 10.475 11.098 1.00 43.00 H new ATOM 0 HG3 MET B 183 -0.934 9.605 12.098 1.00 43.00 H new ATOM 0 HE1 MET B 183 -2.804 12.700 10.265 1.00 62.41 H new ATOM 0 HE2 MET B 183 -1.381 11.808 9.676 1.00 62.41 H new ATOM 0 HE3 MET B 183 -2.757 10.925 10.379 1.00 62.41 H new ATOM 2212 N ALA B 184 3.583 10.511 13.982 1.00 62.30 N ATOM 2213 CA ALA B 184 4.733 10.790 14.818 1.00 33.33 C ATOM 2214 C ALA B 184 4.597 12.201 15.390 1.00 14.32 C ATOM 2215 O ALA B 184 5.511 13.019 15.290 1.00 14.04 O ATOM 2216 CB ALA B 184 5.992 10.625 13.962 1.00 5.21 C ATOM 0 H ALA B 184 3.395 11.262 13.318 1.00 62.30 H new ATOM 0 HA ALA B 184 4.800 10.101 15.660 1.00 33.33 H new ATOM 0 HB1 ALA B 184 6.874 10.830 14.569 1.00 5.21 H new ATOM 0 HB2 ALA B 184 6.042 9.605 13.582 1.00 5.21 H new ATOM 0 HB3 ALA B 184 5.957 11.323 13.125 1.00 5.21 H new ATOM 2222 N GLU B 185 3.421 12.518 15.925 1.00 73.14 N ATOM 2223 CA GLU B 185 3.162 13.806 16.552 1.00 25.11 C ATOM 2224 C GLU B 185 3.703 13.647 17.958 1.00 4.45 C ATOM 2225 O GLU B 185 3.497 12.547 18.531 1.00 30.23 O ATOM 2226 CB GLU B 185 1.667 14.176 16.568 1.00 5.42 C ATOM 2227 CG GLU B 185 0.960 14.086 15.207 1.00 41.34 C ATOM 2228 CD GLU B 185 1.660 14.871 14.092 1.00 62.22 C ATOM 2229 OE1 GLU B 185 2.141 16.000 14.349 1.00 22.33 O ATOM 2230 OE2 GLU B 185 1.746 14.338 12.961 1.00 1.11 O ATOM 0 H GLU B 185 2.621 11.886 15.935 1.00 73.14 H new ATOM 0 HA GLU B 185 3.635 14.619 16.001 1.00 25.11 H new ATOM 0 HB2 GLU B 185 1.154 13.520 17.271 1.00 5.42 H new ATOM 0 HB3 GLU B 185 1.564 15.193 16.947 1.00 5.42 H new ATOM 0 HG2 GLU B 185 0.891 13.039 14.913 1.00 41.34 H new ATOM 0 HG3 GLU B 185 -0.060 14.455 15.313 1.00 41.34 H new TER 2237 GLU B 185