USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= -0.726 K(o=-2.5,f=-7.7!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.74 K(o=-2.5,f=-6.7) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -176:sc= 0.746 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot 97:sc= 0.654 USER MOD Single : A 1 TRP N :NH3+ -168:sc= 0.637 (180deg=0.437) USER MOD Single : A 5 CYS SG : rot 180:sc= -1.36 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 0.588 (180deg=0.35) USER MOD Single : A 12 HIS : no HD1:sc= 0.234 K(o=0.23,f=-1.3) USER MOD Single : A 15 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.069) USER MOD Single : A 18 SER OG : rot 180:sc= 0.18 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 21 THR OG1 : rot -130:sc= 0.708 USER MOD Single : A 29 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.0049) USER MOD Single : A 34 THR OG1 : rot -17:sc= 0.44 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 15:sc= 0.0238 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -34:sc= 0.412 USER MOD Single : A 60 THR OG1 : rot -29:sc= 0.492 USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -174:sc= -0.107 (180deg=-0.122) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= 1.07 (180deg=0.314) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 0.813 -0.002 -0.570 1.00 0.00 N ATOM 2 CA TRP A 1 1.845 0.129 -1.622 1.00 0.00 C ATOM 3 C TRP A 1 3.227 -0.147 -1.026 1.00 0.00 C ATOM 4 O TRP A 1 3.533 0.286 0.090 1.00 0.00 O ATOM 5 CB TRP A 1 1.808 1.537 -2.281 1.00 0.00 C ATOM 6 CG TRP A 1 0.608 1.806 -3.162 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.622 1.208 -3.116 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.541 2.766 -4.217 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.429 1.716 -4.096 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.743 2.679 -4.784 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.448 3.689 -4.745 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.142 3.479 -5.844 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.051 4.482 -5.796 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.234 4.372 -6.338 1.00 0.00 C ATOM 0 H1 TRP A 1 -0.130 -0.017 -1.009 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.964 -0.886 -0.044 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.879 0.805 0.083 1.00 0.00 H new ATOM 0 HA TRP A 1 1.636 -0.604 -2.401 1.00 0.00 H new ATOM 0 HB2 TRP A 1 1.836 2.290 -1.493 1.00 0.00 H new ATOM 0 HB3 TRP A 1 2.712 1.665 -2.877 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.913 0.446 -2.409 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.388 1.424 -4.284 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.443 3.778 -4.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.134 3.399 -6.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.742 5.201 -6.210 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.514 5.007 -7.165 1.00 0.00 H new ATOM 27 N ARG A 2 4.047 -0.863 -1.801 1.00 0.00 N ATOM 28 CA ARG A 2 5.419 -1.239 -1.441 1.00 0.00 C ATOM 29 C ARG A 2 6.319 -0.951 -2.658 1.00 0.00 C ATOM 30 O ARG A 2 6.021 -1.400 -3.764 1.00 0.00 O ATOM 31 CB ARG A 2 5.447 -2.741 -1.021 1.00 0.00 C ATOM 32 CG ARG A 2 4.872 -3.728 -2.069 1.00 0.00 C ATOM 33 CD ARG A 2 4.855 -5.186 -1.585 1.00 0.00 C ATOM 34 NE ARG A 2 3.975 -5.378 -0.420 1.00 0.00 N ATOM 35 CZ ARG A 2 3.676 -6.560 0.141 1.00 0.00 C ATOM 36 NH1 ARG A 2 4.185 -7.688 -0.331 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.880 -6.603 1.186 1.00 0.00 N ATOM 0 H ARG A 2 3.768 -1.206 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 2 5.788 -0.663 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.478 -3.023 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.886 -2.853 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.856 -3.425 -2.324 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.463 -3.662 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.524 -5.832 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.869 -5.492 -1.326 1.00 0.00 H new ATOM 0 HE ARG A 2 3.559 -4.544 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.815 -7.667 -1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.947 -8.578 0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.492 -5.740 1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.650 -7.499 1.615 1.00 0.00 H new ATOM 51 N VAL A 3 7.387 -0.154 -2.473 1.00 0.00 N ATOM 52 CA VAL A 3 8.215 0.340 -3.599 1.00 0.00 C ATOM 53 C VAL A 3 9.702 -0.006 -3.400 1.00 0.00 C ATOM 54 O VAL A 3 10.249 0.156 -2.307 1.00 0.00 O ATOM 55 CB VAL A 3 8.036 1.894 -3.784 1.00 0.00 C ATOM 56 CG1 VAL A 3 9.004 2.455 -4.849 1.00 0.00 C ATOM 57 CG2 VAL A 3 6.564 2.250 -4.141 1.00 0.00 C ATOM 0 H VAL A 3 7.701 0.164 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 3 7.871 -0.162 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 3 8.281 2.363 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.852 3.530 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.032 2.261 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.812 1.970 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.470 3.329 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.285 1.754 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.904 1.916 -3.340 1.00 0.00 H new ATOM 67 N ARG A 4 10.326 -0.484 -4.490 1.00 0.00 N ATOM 68 CA ARG A 4 11.752 -0.820 -4.547 1.00 0.00 C ATOM 69 C ARG A 4 12.588 0.459 -4.795 1.00 0.00 C ATOM 70 O ARG A 4 12.522 1.049 -5.873 1.00 0.00 O ATOM 71 CB ARG A 4 11.990 -1.859 -5.682 1.00 0.00 C ATOM 72 CG ARG A 4 11.203 -3.184 -5.532 1.00 0.00 C ATOM 73 CD ARG A 4 11.635 -3.988 -4.297 1.00 0.00 C ATOM 74 NE ARG A 4 10.894 -5.260 -4.156 1.00 0.00 N ATOM 75 CZ ARG A 4 11.057 -6.140 -3.156 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.931 -5.910 -2.180 1.00 0.00 N ATOM 77 NH2 ARG A 4 10.342 -7.254 -3.143 1.00 0.00 N ATOM 0 H ARG A 4 9.840 -0.650 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 4 12.064 -1.254 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.723 -1.401 -6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 4 13.055 -2.089 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.138 -2.964 -5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.347 -3.791 -6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.702 -4.199 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.483 -3.383 -3.403 1.00 0.00 H new ATOM 0 HE ARG A 4 10.206 -5.486 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.488 -5.056 -2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 4 12.044 -6.588 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.672 -7.439 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.461 -7.927 -2.386 1.00 0.00 H new ATOM 91 N CYS A 5 13.354 0.884 -3.782 1.00 0.00 N ATOM 92 CA CYS A 5 14.189 2.092 -3.835 1.00 0.00 C ATOM 93 C CYS A 5 15.587 1.747 -4.365 1.00 0.00 C ATOM 94 O CYS A 5 16.470 1.376 -3.588 1.00 0.00 O ATOM 95 CB CYS A 5 14.285 2.726 -2.426 1.00 0.00 C ATOM 96 SG CYS A 5 15.414 4.132 -2.287 1.00 0.00 S ATOM 0 H CYS A 5 13.412 0.392 -2.890 1.00 0.00 H new ATOM 0 HA CYS A 5 13.732 2.812 -4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.289 3.049 -2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.600 1.957 -1.720 1.00 0.00 H new ATOM 0 HG CYS A 5 15.406 4.576 -1.065 1.00 0.00 H new ATOM 102 N LYS A 6 15.762 1.824 -5.695 1.00 0.00 N ATOM 103 CA LYS A 6 17.070 1.638 -6.348 1.00 0.00 C ATOM 104 C LYS A 6 17.900 2.916 -6.144 1.00 0.00 C ATOM 105 O LYS A 6 17.659 3.924 -6.808 1.00 0.00 O ATOM 106 CB LYS A 6 16.890 1.335 -7.864 1.00 0.00 C ATOM 107 CG LYS A 6 18.215 1.193 -8.661 1.00 0.00 C ATOM 108 CD LYS A 6 19.028 -0.073 -8.292 1.00 0.00 C ATOM 109 CE LYS A 6 18.324 -1.375 -8.707 1.00 0.00 C ATOM 110 NZ LYS A 6 19.103 -2.579 -8.313 1.00 0.00 N ATOM 0 H LYS A 6 15.002 2.017 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 6 17.587 0.787 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.318 0.413 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.297 2.132 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.988 1.171 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.831 2.075 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.005 -0.025 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.202 -0.087 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.336 -1.416 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.174 -1.378 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.628 -3.432 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.060 -2.521 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.167 -2.627 -7.276 1.00 0.00 H new ATOM 124 N ALA A 7 18.864 2.876 -5.217 1.00 0.00 N ATOM 125 CA ALA A 7 19.587 4.084 -4.783 1.00 0.00 C ATOM 126 C ALA A 7 21.072 3.804 -4.512 1.00 0.00 C ATOM 127 O ALA A 7 21.535 2.659 -4.571 1.00 0.00 O ATOM 128 CB ALA A 7 18.917 4.659 -3.528 1.00 0.00 C ATOM 0 H ALA A 7 19.164 2.020 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 7 19.541 4.811 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.452 5.553 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.882 4.917 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.940 3.916 -2.731 1.00 0.00 H new ATOM 134 N LYS A 8 21.792 4.890 -4.183 1.00 0.00 N ATOM 135 CA LYS A 8 23.212 4.862 -3.783 1.00 0.00 C ATOM 136 C LYS A 8 23.395 4.288 -2.361 1.00 0.00 C ATOM 137 O LYS A 8 24.525 4.126 -1.895 1.00 0.00 O ATOM 138 CB LYS A 8 23.785 6.298 -3.874 1.00 0.00 C ATOM 139 CG LYS A 8 23.786 6.888 -5.304 1.00 0.00 C ATOM 140 CD LYS A 8 24.789 6.190 -6.252 1.00 0.00 C ATOM 141 CE LYS A 8 26.255 6.402 -5.821 1.00 0.00 C ATOM 142 NZ LYS A 8 26.616 7.844 -5.746 1.00 0.00 N ATOM 0 H LYS A 8 21.397 5.830 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 8 23.755 4.203 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.204 6.951 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.806 6.295 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.783 6.807 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.025 7.950 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.573 5.122 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.653 6.571 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.417 5.938 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.916 5.900 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.646 7.939 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.314 8.323 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.140 8.279 -4.930 1.00 0.00 H new ATOM 156 N GLY A 9 22.276 4.031 -1.667 1.00 0.00 N ATOM 157 CA GLY A 9 22.278 3.290 -0.408 1.00 0.00 C ATOM 158 C GLY A 9 21.681 1.899 -0.586 1.00 0.00 C ATOM 159 O GLY A 9 21.037 1.382 0.323 1.00 0.00 O ATOM 0 H GLY A 9 21.349 4.333 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 9 23.298 3.206 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.709 3.840 0.341 1.00 0.00 H new ATOM 163 N GLY A 10 21.899 1.303 -1.779 1.00 0.00 N ATOM 164 CA GLY A 10 21.387 -0.032 -2.113 1.00 0.00 C ATOM 165 C GLY A 10 19.943 -0.014 -2.603 1.00 0.00 C ATOM 166 O GLY A 10 19.334 1.057 -2.732 1.00 0.00 O ATOM 0 H GLY A 10 22.434 1.737 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.020 -0.475 -2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.458 -0.672 -1.234 1.00 0.00 H new ATOM 170 N THR A 11 19.398 -1.210 -2.887 1.00 0.00 N ATOM 171 CA THR A 11 17.989 -1.380 -3.274 1.00 0.00 C ATOM 172 C THR A 11 17.195 -1.875 -2.054 1.00 0.00 C ATOM 173 O THR A 11 17.482 -2.946 -1.507 1.00 0.00 O ATOM 174 CB THR A 11 17.831 -2.376 -4.462 1.00 0.00 C ATOM 175 OG1 THR A 11 18.764 -2.027 -5.492 1.00 0.00 O ATOM 176 CG2 THR A 11 16.397 -2.374 -5.035 1.00 0.00 C ATOM 0 H THR A 11 19.922 -2.084 -2.854 1.00 0.00 H new ATOM 0 HA THR A 11 17.602 -0.418 -3.609 1.00 0.00 H new ATOM 0 HB THR A 11 18.031 -3.381 -4.090 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.566 -2.584 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.334 -3.083 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.693 -2.663 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.150 -1.375 -5.395 1.00 0.00 H new ATOM 184 N HIS A 12 16.220 -1.061 -1.620 1.00 0.00 N ATOM 185 CA HIS A 12 15.389 -1.329 -0.423 1.00 0.00 C ATOM 186 C HIS A 12 13.911 -1.451 -0.812 1.00 0.00 C ATOM 187 O HIS A 12 13.555 -1.330 -1.978 1.00 0.00 O ATOM 188 CB HIS A 12 15.583 -0.199 0.622 1.00 0.00 C ATOM 189 CG HIS A 12 16.942 -0.172 1.276 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.150 -0.540 2.587 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.159 0.171 0.791 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.428 -0.414 2.881 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.059 0.011 1.811 1.00 0.00 N ATOM 0 H HIS A 12 15.980 -0.189 -2.091 1.00 0.00 H new ATOM 0 HA HIS A 12 15.706 -2.274 0.019 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.410 0.761 0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.824 -0.305 1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.379 0.507 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 12 18.880 -0.624 3.839 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.061 0.193 1.749 1.00 0.00 H new ATOM 202 N LEU A 13 13.070 -1.725 0.188 1.00 0.00 N ATOM 203 CA LEU A 13 11.607 -1.770 0.054 1.00 0.00 C ATOM 204 C LEU A 13 11.030 -0.803 1.109 1.00 0.00 C ATOM 205 O LEU A 13 11.453 -0.825 2.271 1.00 0.00 O ATOM 206 CB LEU A 13 11.121 -3.251 0.240 1.00 0.00 C ATOM 207 CG LEU A 13 9.633 -3.619 -0.120 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.619 -3.081 0.899 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.278 -3.167 -1.545 1.00 0.00 C ATOM 0 H LEU A 13 13.391 -1.926 1.135 1.00 0.00 H new ATOM 0 HA LEU A 13 11.263 -1.454 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.771 -3.888 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.283 -3.522 1.283 1.00 0.00 H new ATOM 0 HG LEU A 13 9.567 -4.706 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.612 -3.367 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.835 -3.499 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.690 -1.994 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.245 -3.435 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.398 -2.086 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.940 -3.659 -2.258 1.00 0.00 H new ATOM 221 N LEU A 14 10.108 0.078 0.685 1.00 0.00 N ATOM 222 CA LEU A 14 9.464 1.074 1.574 1.00 0.00 C ATOM 223 C LEU A 14 8.073 0.598 2.002 1.00 0.00 C ATOM 224 O LEU A 14 7.281 0.138 1.168 1.00 0.00 O ATOM 225 CB LEU A 14 9.354 2.469 0.881 1.00 0.00 C ATOM 226 CG LEU A 14 10.643 3.348 0.860 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.781 2.695 0.053 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.334 4.775 0.349 1.00 0.00 C ATOM 0 H LEU A 14 9.785 0.124 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 14 10.094 1.177 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.033 2.312 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.566 3.034 1.378 1.00 0.00 H new ATOM 0 HG LEU A 14 10.994 3.427 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.656 3.344 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.036 1.732 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.457 2.546 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.250 5.366 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.933 4.720 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.602 5.246 1.005 1.00 0.00 H new ATOM 240 N GLN A 15 7.799 0.703 3.315 1.00 0.00 N ATOM 241 CA GLN A 15 6.480 0.420 3.901 1.00 0.00 C ATOM 242 C GLN A 15 5.710 1.738 4.129 1.00 0.00 C ATOM 243 O GLN A 15 6.274 2.834 4.000 1.00 0.00 O ATOM 244 CB GLN A 15 6.603 -0.353 5.258 1.00 0.00 C ATOM 245 CG GLN A 15 7.280 -1.744 5.196 1.00 0.00 C ATOM 246 CD GLN A 15 8.811 -1.700 5.128 1.00 0.00 C ATOM 247 OE1 GLN A 15 9.486 -1.656 6.152 1.00 0.00 O ATOM 248 NE2 GLN A 15 9.366 -1.722 3.929 1.00 0.00 N ATOM 0 H GLN A 15 8.495 0.989 4.004 1.00 0.00 H new ATOM 0 HA GLN A 15 5.936 -0.211 3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.163 0.269 5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.603 -0.477 5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.984 -2.318 6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.905 -2.279 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.779 -1.759 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.382 -1.702 3.837 1.00 0.00 H new ATOM 257 N GLY A 16 4.414 1.604 4.465 1.00 0.00 N ATOM 258 CA GLY A 16 3.569 2.734 4.864 1.00 0.00 C ATOM 259 C GLY A 16 3.228 3.690 3.723 1.00 0.00 C ATOM 260 O GLY A 16 2.913 4.864 3.965 1.00 0.00 O ATOM 0 H GLY A 16 3.927 0.708 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.643 2.349 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.075 3.292 5.652 1.00 0.00 H new ATOM 264 N LEU A 17 3.293 3.188 2.474 1.00 0.00 N ATOM 265 CA LEU A 17 2.956 3.972 1.277 1.00 0.00 C ATOM 266 C LEU A 17 1.524 3.650 0.828 1.00 0.00 C ATOM 267 O LEU A 17 1.122 2.488 0.794 1.00 0.00 O ATOM 268 CB LEU A 17 3.961 3.685 0.132 1.00 0.00 C ATOM 269 CG LEU A 17 5.456 4.009 0.438 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.348 3.685 -0.778 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.622 5.479 0.891 1.00 0.00 C ATOM 0 H LEU A 17 3.580 2.231 2.271 1.00 0.00 H new ATOM 0 HA LEU A 17 3.019 5.032 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.886 2.631 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.657 4.259 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 17 5.781 3.374 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.386 3.919 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.261 2.626 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.028 4.281 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.673 5.679 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.275 6.145 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.035 5.650 1.794 1.00 0.00 H new ATOM 283 N SER A 18 0.756 4.698 0.541 1.00 0.00 N ATOM 284 CA SER A 18 -0.580 4.606 -0.058 1.00 0.00 C ATOM 285 C SER A 18 -0.554 5.295 -1.442 1.00 0.00 C ATOM 286 O SER A 18 0.526 5.574 -1.975 1.00 0.00 O ATOM 287 CB SER A 18 -1.607 5.247 0.906 1.00 0.00 C ATOM 288 OG SER A 18 -2.940 5.015 0.488 1.00 0.00 O ATOM 0 H SER A 18 1.049 5.658 0.721 1.00 0.00 H new ATOM 0 HA SER A 18 -0.877 3.568 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.465 4.843 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.427 6.320 0.967 1.00 0.00 H new ATOM 0 HG SER A 18 -3.559 5.433 1.122 1.00 0.00 H new ATOM 294 N SER A 19 -1.733 5.562 -2.017 1.00 0.00 N ATOM 295 CA SER A 19 -1.862 6.177 -3.349 1.00 0.00 C ATOM 296 C SER A 19 -1.586 7.693 -3.314 1.00 0.00 C ATOM 297 O SER A 19 -1.013 8.252 -4.258 1.00 0.00 O ATOM 298 CB SER A 19 -3.281 5.901 -3.895 1.00 0.00 C ATOM 299 OG SER A 19 -4.283 6.365 -3.004 1.00 0.00 O ATOM 0 H SER A 19 -2.628 5.358 -1.573 1.00 0.00 H new ATOM 0 HA SER A 19 -1.115 5.733 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.400 6.388 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.407 4.831 -4.059 1.00 0.00 H new ATOM 0 HG SER A 19 -5.168 6.176 -3.380 1.00 0.00 H new ATOM 305 N ARG A 20 -2.008 8.359 -2.224 1.00 0.00 N ATOM 306 CA ARG A 20 -1.968 9.839 -2.117 1.00 0.00 C ATOM 307 C ARG A 20 -0.818 10.315 -1.206 1.00 0.00 C ATOM 308 O ARG A 20 -0.828 11.454 -0.721 1.00 0.00 O ATOM 309 CB ARG A 20 -3.354 10.368 -1.625 1.00 0.00 C ATOM 310 CG ARG A 20 -4.573 9.788 -2.394 1.00 0.00 C ATOM 311 CD ARG A 20 -4.470 9.970 -3.919 1.00 0.00 C ATOM 312 NE ARG A 20 -5.411 9.094 -4.644 1.00 0.00 N ATOM 313 CZ ARG A 20 -5.329 8.773 -5.947 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.427 9.341 -6.741 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.174 7.893 -6.458 1.00 0.00 N ATOM 0 H ARG A 20 -2.384 7.897 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.769 10.254 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.463 10.134 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.367 11.454 -1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.666 8.726 -2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.483 10.271 -2.037 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.672 11.010 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.452 9.755 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.187 8.700 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.781 10.034 -6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.381 9.084 -7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.883 7.462 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.117 7.645 -7.446 1.00 0.00 H new ATOM 329 N THR A 21 0.183 9.444 -1.013 1.00 0.00 N ATOM 330 CA THR A 21 1.414 9.766 -0.277 1.00 0.00 C ATOM 331 C THR A 21 2.171 10.922 -0.982 1.00 0.00 C ATOM 332 O THR A 21 2.374 10.893 -2.193 1.00 0.00 O ATOM 333 CB THR A 21 2.290 8.480 -0.166 1.00 0.00 C ATOM 334 OG1 THR A 21 1.566 7.487 0.575 1.00 0.00 O ATOM 335 CG2 THR A 21 3.645 8.725 0.500 1.00 0.00 C ATOM 0 H THR A 21 0.161 8.488 -1.367 1.00 0.00 H new ATOM 0 HA THR A 21 1.172 10.106 0.730 1.00 0.00 H new ATOM 0 HB THR A 21 2.498 8.143 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.138 7.126 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.203 7.790 0.545 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.209 9.456 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.491 9.104 1.510 1.00 0.00 H new ATOM 343 N ARG A 22 2.531 11.955 -0.212 1.00 0.00 N ATOM 344 CA ARG A 22 3.094 13.216 -0.747 1.00 0.00 C ATOM 345 C ARG A 22 4.631 13.146 -0.886 1.00 0.00 C ATOM 346 O ARG A 22 5.224 12.112 -0.590 1.00 0.00 O ATOM 347 CB ARG A 22 2.670 14.374 0.188 1.00 0.00 C ATOM 348 CG ARG A 22 1.138 14.480 0.368 1.00 0.00 C ATOM 349 CD ARG A 22 0.727 15.492 1.441 1.00 0.00 C ATOM 350 NE ARG A 22 1.179 15.102 2.793 1.00 0.00 N ATOM 351 CZ ARG A 22 0.801 15.701 3.931 1.00 0.00 C ATOM 352 NH1 ARG A 22 0.035 16.785 3.906 1.00 0.00 N ATOM 353 NH2 ARG A 22 1.217 15.228 5.092 1.00 0.00 N ATOM 0 H ARG A 22 2.443 11.947 0.804 1.00 0.00 H new ATOM 0 HA ARG A 22 2.703 13.386 -1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.135 14.234 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.048 15.314 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.685 14.763 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.740 13.500 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.141 16.469 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.358 15.596 1.441 1.00 0.00 H new ATOM 0 HE ARG A 22 1.827 14.318 2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.273 17.171 3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.246 17.231 4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.824 14.409 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.931 15.682 5.960 1.00 0.00 H new ATOM 367 N LEU A 23 5.252 14.259 -1.349 1.00 0.00 N ATOM 368 CA LEU A 23 6.732 14.409 -1.452 1.00 0.00 C ATOM 369 C LEU A 23 7.376 14.116 -0.086 1.00 0.00 C ATOM 370 O LEU A 23 8.140 13.163 0.072 1.00 0.00 O ATOM 371 CB LEU A 23 7.085 15.869 -1.926 1.00 0.00 C ATOM 372 CG LEU A 23 8.580 16.238 -2.316 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.650 17.659 -2.916 1.00 0.00 C ATOM 374 CD2 LEU A 23 9.605 16.137 -1.153 1.00 0.00 C ATOM 0 H LEU A 23 4.741 15.084 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 23 7.122 13.701 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.461 16.088 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.780 16.550 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 23 8.866 15.484 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.682 17.893 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.030 17.707 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.288 18.381 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.596 16.408 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.314 16.817 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.625 15.116 -0.773 1.00 0.00 H new ATOM 386 N ARG A 24 7.027 14.961 0.894 1.00 0.00 N ATOM 387 CA ARG A 24 7.608 14.942 2.250 1.00 0.00 C ATOM 388 C ARG A 24 7.299 13.636 3.019 1.00 0.00 C ATOM 389 O ARG A 24 7.949 13.338 4.023 1.00 0.00 O ATOM 390 CB ARG A 24 7.136 16.195 3.034 1.00 0.00 C ATOM 391 CG ARG A 24 5.609 16.436 3.012 1.00 0.00 C ATOM 392 CD ARG A 24 5.208 17.731 3.734 1.00 0.00 C ATOM 393 NE ARG A 24 3.803 18.116 3.488 1.00 0.00 N ATOM 394 CZ ARG A 24 2.945 18.507 4.434 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.223 18.352 5.722 1.00 0.00 N ATOM 396 NH2 ARG A 24 1.790 19.038 4.097 1.00 0.00 N ATOM 0 H ARG A 24 6.323 15.689 0.768 1.00 0.00 H new ATOM 0 HA ARG A 24 8.693 14.971 2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.460 16.101 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.634 17.073 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.266 16.479 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.104 15.591 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.363 17.606 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.863 18.540 3.409 1.00 0.00 H new ATOM 0 HE ARG A 24 3.464 18.081 2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.106 17.927 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.554 18.658 6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.549 19.152 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.135 19.336 4.820 1.00 0.00 H new ATOM 410 N GLU A 25 6.322 12.857 2.525 1.00 0.00 N ATOM 411 CA GLU A 25 6.002 11.533 3.083 1.00 0.00 C ATOM 412 C GLU A 25 6.903 10.463 2.410 1.00 0.00 C ATOM 413 O GLU A 25 7.539 9.660 3.085 1.00 0.00 O ATOM 414 CB GLU A 25 4.505 11.194 2.844 1.00 0.00 C ATOM 415 CG GLU A 25 3.502 12.320 3.146 1.00 0.00 C ATOM 416 CD GLU A 25 3.528 12.840 4.588 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.044 12.133 5.494 1.00 0.00 O ATOM 418 OE2 GLU A 25 3.993 13.976 4.815 1.00 0.00 O ATOM 0 H GLU A 25 5.736 13.125 1.734 1.00 0.00 H new ATOM 0 HA GLU A 25 6.186 11.542 4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.382 10.895 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.246 10.330 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.700 13.153 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.497 11.961 2.923 1.00 0.00 H new ATOM 425 N LEU A 26 6.954 10.505 1.060 1.00 0.00 N ATOM 426 CA LEU A 26 7.626 9.488 0.216 1.00 0.00 C ATOM 427 C LEU A 26 9.148 9.724 0.210 1.00 0.00 C ATOM 428 O LEU A 26 9.904 8.915 0.762 1.00 0.00 O ATOM 429 CB LEU A 26 6.995 9.513 -1.225 1.00 0.00 C ATOM 430 CG LEU A 26 7.520 8.509 -2.325 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.734 9.061 -3.091 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.814 7.112 -1.737 1.00 0.00 C ATOM 0 H LEU A 26 6.525 11.255 0.518 1.00 0.00 H new ATOM 0 HA LEU A 26 7.470 8.490 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.924 9.345 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.120 10.522 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 26 6.712 8.397 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.056 8.333 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.458 9.991 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.549 9.251 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.173 6.453 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.575 7.197 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.902 6.699 -1.306 1.00 0.00 H new ATOM 444 N GLN A 27 9.584 10.855 -0.388 1.00 0.00 N ATOM 445 CA GLN A 27 11.011 11.248 -0.427 1.00 0.00 C ATOM 446 C GLN A 27 11.542 11.561 0.990 1.00 0.00 C ATOM 447 O GLN A 27 12.759 11.537 1.222 1.00 0.00 O ATOM 448 CB GLN A 27 11.258 12.456 -1.374 1.00 0.00 C ATOM 449 CG GLN A 27 10.849 12.246 -2.849 1.00 0.00 C ATOM 450 CD GLN A 27 11.428 13.326 -3.777 1.00 0.00 C ATOM 451 OE1 GLN A 27 10.843 14.385 -3.950 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.565 13.050 -4.402 1.00 0.00 N ATOM 0 H GLN A 27 8.963 11.516 -0.854 1.00 0.00 H new ATOM 0 HA GLN A 27 11.561 10.396 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.714 13.317 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.318 12.708 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.189 11.265 -3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.762 12.250 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.033 12.158 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.971 13.729 -5.045 1.00 0.00 H new ATOM 461 N GLY A 28 10.609 11.841 1.919 1.00 0.00 N ATOM 462 CA GLY A 28 10.930 12.026 3.336 1.00 0.00 C ATOM 463 C GLY A 28 11.338 10.716 4.002 1.00 0.00 C ATOM 464 O GLY A 28 12.244 10.697 4.845 1.00 0.00 O ATOM 0 H GLY A 28 9.617 11.944 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.739 12.750 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.065 12.442 3.853 1.00 0.00 H new ATOM 468 N GLN A 29 10.669 9.607 3.608 1.00 0.00 N ATOM 469 CA GLN A 29 11.038 8.253 4.070 1.00 0.00 C ATOM 470 C GLN A 29 12.341 7.807 3.406 1.00 0.00 C ATOM 471 O GLN A 29 13.163 7.180 4.046 1.00 0.00 O ATOM 472 CB GLN A 29 9.926 7.196 3.797 1.00 0.00 C ATOM 473 CG GLN A 29 8.748 7.230 4.795 1.00 0.00 C ATOM 474 CD GLN A 29 7.800 6.026 4.680 1.00 0.00 C ATOM 475 OE1 GLN A 29 7.227 5.579 5.673 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.593 5.511 3.474 1.00 0.00 N ATOM 0 H GLN A 29 9.872 9.626 2.972 1.00 0.00 H new ATOM 0 HA GLN A 29 11.168 8.316 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.537 7.349 2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.374 6.203 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.145 7.272 5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.178 8.145 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.079 5.897 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.948 4.729 3.357 1.00 0.00 H new ATOM 485 N ILE A 30 12.507 8.143 2.114 1.00 0.00 N ATOM 486 CA ILE A 30 13.727 7.820 1.335 1.00 0.00 C ATOM 487 C ILE A 30 14.989 8.453 1.991 1.00 0.00 C ATOM 488 O ILE A 30 16.070 7.846 2.012 1.00 0.00 O ATOM 489 CB ILE A 30 13.562 8.302 -0.156 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.418 7.513 -0.872 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.881 8.212 -0.953 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.093 7.984 -2.280 1.00 0.00 C ATOM 0 H ILE A 30 11.802 8.646 1.576 1.00 0.00 H new ATOM 0 HA ILE A 30 13.863 6.738 1.335 1.00 0.00 H new ATOM 0 HB ILE A 30 13.286 9.356 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.695 6.460 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.515 7.582 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.713 8.555 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.636 8.839 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.226 7.178 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.288 7.375 -2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.780 9.028 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.978 7.888 -2.909 1.00 0.00 H new ATOM 504 N ALA A 31 14.809 9.659 2.558 1.00 0.00 N ATOM 505 CA ALA A 31 15.847 10.358 3.349 1.00 0.00 C ATOM 506 C ALA A 31 16.264 9.548 4.605 1.00 0.00 C ATOM 507 O ALA A 31 17.384 9.692 5.102 1.00 0.00 O ATOM 508 CB ALA A 31 15.340 11.762 3.734 1.00 0.00 C ATOM 0 H ALA A 31 13.936 10.182 2.482 1.00 0.00 H new ATOM 0 HA ALA A 31 16.741 10.456 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.104 12.278 4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.127 12.332 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.431 11.670 4.328 1.00 0.00 H new ATOM 514 N ALA A 32 15.340 8.706 5.107 1.00 0.00 N ATOM 515 CA ALA A 32 15.571 7.810 6.268 1.00 0.00 C ATOM 516 C ALA A 32 16.016 6.387 5.828 1.00 0.00 C ATOM 517 O ALA A 32 16.720 5.692 6.575 1.00 0.00 O ATOM 518 CB ALA A 32 14.288 7.733 7.119 1.00 0.00 C ATOM 0 H ALA A 32 14.401 8.624 4.717 1.00 0.00 H new ATOM 0 HA ALA A 32 16.383 8.229 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.456 7.075 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.027 8.730 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.472 7.339 6.513 1.00 0.00 H new ATOM 524 N ILE A 33 15.586 5.969 4.616 1.00 0.00 N ATOM 525 CA ILE A 33 15.807 4.602 4.074 1.00 0.00 C ATOM 526 C ILE A 33 17.245 4.465 3.528 1.00 0.00 C ATOM 527 O ILE A 33 18.037 3.642 4.007 1.00 0.00 O ATOM 528 CB ILE A 33 14.750 4.273 2.930 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.294 4.152 3.497 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.130 3.008 2.120 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.040 2.965 4.414 1.00 0.00 C ATOM 0 H ILE A 33 15.070 6.575 3.978 1.00 0.00 H new ATOM 0 HA ILE A 33 15.671 3.887 4.885 1.00 0.00 H new ATOM 0 HB ILE A 33 14.774 5.119 2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.059 5.066 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.601 4.094 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.377 2.827 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.101 3.156 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.179 2.149 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.003 2.979 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.235 2.039 3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.700 3.026 5.279 1.00 0.00 H new ATOM 543 N THR A 34 17.560 5.287 2.522 1.00 0.00 N ATOM 544 CA THR A 34 18.851 5.250 1.803 1.00 0.00 C ATOM 545 C THR A 34 19.718 6.482 2.137 1.00 0.00 C ATOM 546 O THR A 34 20.866 6.573 1.695 1.00 0.00 O ATOM 547 CB THR A 34 18.599 5.120 0.261 1.00 0.00 C ATOM 548 OG1 THR A 34 19.826 5.227 -0.482 1.00 0.00 O ATOM 549 CG2 THR A 34 17.606 6.163 -0.255 1.00 0.00 C ATOM 0 H THR A 34 16.925 6.006 2.176 1.00 0.00 H new ATOM 0 HA THR A 34 19.409 4.375 2.135 1.00 0.00 H new ATOM 0 HB THR A 34 18.169 4.130 0.108 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.520 5.621 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.465 6.032 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.650 6.039 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.994 7.163 -0.060 1.00 0.00 H new ATOM 557 N GLY A 35 19.156 7.430 2.909 1.00 0.00 N ATOM 558 CA GLY A 35 19.908 8.596 3.393 1.00 0.00 C ATOM 559 C GLY A 35 20.058 9.711 2.360 1.00 0.00 C ATOM 560 O GLY A 35 20.868 10.629 2.554 1.00 0.00 O ATOM 0 H GLY A 35 18.182 7.409 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.409 8.997 4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.900 8.271 3.708 1.00 0.00 H new ATOM 564 N ILE A 36 19.274 9.639 1.265 1.00 0.00 N ATOM 565 CA ILE A 36 19.295 10.654 0.195 1.00 0.00 C ATOM 566 C ILE A 36 18.251 11.732 0.519 1.00 0.00 C ATOM 567 O ILE A 36 17.051 11.433 0.559 1.00 0.00 O ATOM 568 CB ILE A 36 18.986 10.049 -1.234 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.817 8.754 -1.517 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.217 11.110 -2.342 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.324 8.905 -1.412 1.00 0.00 C ATOM 0 H ILE A 36 18.613 8.880 1.099 1.00 0.00 H new ATOM 0 HA ILE A 36 20.301 11.071 0.157 1.00 0.00 H new ATOM 0 HB ILE A 36 17.934 9.762 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.498 7.980 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.574 8.400 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 36 18.999 10.672 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.560 11.963 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.255 11.441 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.801 7.949 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.666 9.651 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.588 9.224 -0.404 1.00 0.00 H new ATOM 583 N ALA A 37 18.727 12.971 0.762 1.00 0.00 N ATOM 584 CA ALA A 37 17.866 14.146 1.012 1.00 0.00 C ATOM 585 C ALA A 37 16.878 14.359 -0.159 1.00 0.00 C ATOM 586 O ALA A 37 17.267 14.145 -1.307 1.00 0.00 O ATOM 587 CB ALA A 37 18.740 15.398 1.228 1.00 0.00 C ATOM 0 H ALA A 37 19.724 13.185 0.790 1.00 0.00 H new ATOM 0 HA ALA A 37 17.280 13.969 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.100 16.261 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.394 15.242 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.345 15.577 0.339 1.00 0.00 H new ATOM 593 N PRO A 38 15.587 14.772 0.112 1.00 0.00 N ATOM 594 CA PRO A 38 14.523 14.894 -0.935 1.00 0.00 C ATOM 595 C PRO A 38 14.904 15.820 -2.123 1.00 0.00 C ATOM 596 O PRO A 38 14.426 15.619 -3.244 1.00 0.00 O ATOM 597 CB PRO A 38 13.294 15.427 -0.141 1.00 0.00 C ATOM 598 CG PRO A 38 13.868 16.009 1.115 1.00 0.00 C ATOM 599 CD PRO A 38 15.053 15.137 1.453 1.00 0.00 C ATOM 0 HA PRO A 38 14.338 13.940 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.751 16.180 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.590 14.625 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.172 17.045 0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.134 16.005 1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.791 15.672 2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.758 14.257 2.024 1.00 0.00 H new ATOM 607 N GLY A 39 15.783 16.809 -1.866 1.00 0.00 N ATOM 608 CA GLY A 39 16.263 17.734 -2.904 1.00 0.00 C ATOM 609 C GLY A 39 17.388 17.157 -3.777 1.00 0.00 C ATOM 610 O GLY A 39 17.685 17.702 -4.842 1.00 0.00 O ATOM 0 H GLY A 39 16.175 16.986 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.426 18.013 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.618 18.648 -2.427 1.00 0.00 H new ATOM 614 N SER A 40 18.008 16.056 -3.319 1.00 0.00 N ATOM 615 CA SER A 40 19.127 15.383 -4.016 1.00 0.00 C ATOM 616 C SER A 40 18.621 14.238 -4.923 1.00 0.00 C ATOM 617 O SER A 40 19.404 13.639 -5.670 1.00 0.00 O ATOM 618 CB SER A 40 20.122 14.829 -2.969 1.00 0.00 C ATOM 619 OG SER A 40 20.589 15.851 -2.104 1.00 0.00 O ATOM 0 H SER A 40 17.746 15.600 -2.445 1.00 0.00 H new ATOM 0 HA SER A 40 19.626 16.114 -4.652 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.638 14.048 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.968 14.367 -3.478 1.00 0.00 H new ATOM 0 HG SER A 40 21.214 15.469 -1.453 1.00 0.00 H new ATOM 625 N GLN A 41 17.309 13.960 -4.847 1.00 0.00 N ATOM 626 CA GLN A 41 16.659 12.837 -5.550 1.00 0.00 C ATOM 627 C GLN A 41 15.417 13.307 -6.312 1.00 0.00 C ATOM 628 O GLN A 41 14.854 14.376 -6.036 1.00 0.00 O ATOM 629 CB GLN A 41 16.259 11.715 -4.543 1.00 0.00 C ATOM 630 CG GLN A 41 15.692 12.245 -3.207 1.00 0.00 C ATOM 631 CD GLN A 41 14.701 11.336 -2.502 1.00 0.00 C ATOM 632 OE1 GLN A 41 13.968 10.578 -3.132 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.646 11.444 -1.178 1.00 0.00 N ATOM 0 H GLN A 41 16.660 14.515 -4.289 1.00 0.00 H new ATOM 0 HA GLN A 41 17.378 12.437 -6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.516 11.069 -5.011 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.133 11.098 -4.336 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.525 12.436 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.207 13.203 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.273 12.086 -0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.977 10.885 -0.648 1.00 0.00 H new ATOM 642 N ARG A 42 14.996 12.465 -7.271 1.00 0.00 N ATOM 643 CA ARG A 42 13.772 12.651 -8.068 1.00 0.00 C ATOM 644 C ARG A 42 12.999 11.318 -8.131 1.00 0.00 C ATOM 645 O ARG A 42 13.351 10.348 -7.439 1.00 0.00 O ATOM 646 CB ARG A 42 14.130 13.122 -9.510 1.00 0.00 C ATOM 647 CG ARG A 42 14.862 14.480 -9.599 1.00 0.00 C ATOM 648 CD ARG A 42 15.155 14.876 -11.055 1.00 0.00 C ATOM 649 NE ARG A 42 15.972 16.100 -11.174 1.00 0.00 N ATOM 650 CZ ARG A 42 17.101 16.202 -11.897 1.00 0.00 C ATOM 651 NH1 ARG A 42 17.696 15.117 -12.401 1.00 0.00 N ATOM 652 NH2 ARG A 42 17.661 17.385 -12.068 1.00 0.00 N ATOM 0 H ARG A 42 15.508 11.618 -7.519 1.00 0.00 H new ATOM 0 HA ARG A 42 13.152 13.414 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.753 12.361 -9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.211 13.185 -10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.254 15.252 -9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.797 14.426 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.671 14.054 -11.551 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.212 15.024 -11.581 1.00 0.00 H new ATOM 0 HE ARG A 42 15.657 16.929 -10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.294 14.194 -12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 42 18.552 15.212 -12.947 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.237 18.215 -11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.518 17.469 -12.615 1.00 0.00 H new ATOM 666 N ILE A 43 11.938 11.280 -8.960 1.00 0.00 N ATOM 667 CA ILE A 43 11.183 10.048 -9.245 1.00 0.00 C ATOM 668 C ILE A 43 11.522 9.602 -10.673 1.00 0.00 C ATOM 669 O ILE A 43 11.035 10.173 -11.663 1.00 0.00 O ATOM 670 CB ILE A 43 9.623 10.220 -9.076 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.263 10.662 -7.619 1.00 0.00 C ATOM 672 CG2 ILE A 43 8.859 8.924 -9.469 1.00 0.00 C ATOM 673 CD1 ILE A 43 9.736 9.732 -6.516 1.00 0.00 C ATOM 0 H ILE A 43 11.582 12.101 -9.449 1.00 0.00 H new ATOM 0 HA ILE A 43 11.477 9.292 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 43 9.304 11.008 -9.758 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.687 11.651 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.180 10.762 -7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.788 9.080 -9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.067 8.681 -10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.185 8.102 -8.832 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.434 10.132 -5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.292 8.746 -6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.822 9.649 -6.551 1.00 0.00 H new ATOM 685 N LEU A 44 12.435 8.636 -10.752 1.00 0.00 N ATOM 686 CA LEU A 44 12.862 8.004 -12.000 1.00 0.00 C ATOM 687 C LEU A 44 12.367 6.565 -11.965 1.00 0.00 C ATOM 688 O LEU A 44 12.519 5.885 -10.957 1.00 0.00 O ATOM 689 CB LEU A 44 14.405 8.071 -12.106 1.00 0.00 C ATOM 690 CG LEU A 44 15.010 9.485 -11.843 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.537 9.425 -11.717 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.570 10.513 -12.916 1.00 0.00 C ATOM 0 H LEU A 44 12.910 8.262 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 44 12.452 8.512 -12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.836 7.367 -11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.703 7.741 -13.101 1.00 0.00 H new ATOM 0 HG LEU A 44 14.613 9.831 -10.889 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.927 10.426 -11.534 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.808 8.773 -10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.963 9.033 -12.640 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.014 11.483 -12.694 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.902 10.178 -13.899 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.484 10.602 -12.911 1.00 0.00 H new ATOM 704 N VAL A 45 11.730 6.128 -13.044 1.00 0.00 N ATOM 705 CA VAL A 45 11.091 4.796 -13.138 1.00 0.00 C ATOM 706 C VAL A 45 11.478 4.126 -14.478 1.00 0.00 C ATOM 707 O VAL A 45 12.315 4.661 -15.219 1.00 0.00 O ATOM 708 CB VAL A 45 9.520 4.889 -12.958 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.128 5.391 -11.543 1.00 0.00 C ATOM 710 CG2 VAL A 45 8.888 5.776 -14.047 1.00 0.00 C ATOM 0 H VAL A 45 11.634 6.684 -13.894 1.00 0.00 H new ATOM 0 HA VAL A 45 11.458 4.174 -12.322 1.00 0.00 H new ATOM 0 HB VAL A 45 9.125 3.879 -13.068 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.042 5.440 -11.462 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.517 4.703 -10.792 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.549 6.383 -11.379 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.809 5.822 -13.898 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.306 6.781 -13.985 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.101 5.354 -15.029 1.00 0.00 H new ATOM 720 N GLY A 46 10.882 2.951 -14.764 1.00 0.00 N ATOM 721 CA GLY A 46 11.241 2.124 -15.927 1.00 0.00 C ATOM 722 C GLY A 46 10.640 2.587 -17.263 1.00 0.00 C ATOM 723 O GLY A 46 9.956 1.824 -17.953 1.00 0.00 O ATOM 0 H GLY A 46 10.138 2.551 -14.193 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.327 2.107 -16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.921 1.099 -15.738 1.00 0.00 H new ATOM 727 N TYR A 47 10.909 3.848 -17.610 1.00 0.00 N ATOM 728 CA TYR A 47 10.658 4.439 -18.947 1.00 0.00 C ATOM 729 C TYR A 47 11.774 5.492 -19.184 1.00 0.00 C ATOM 730 O TYR A 47 12.486 5.793 -18.224 1.00 0.00 O ATOM 731 CB TYR A 47 9.223 5.083 -19.016 1.00 0.00 C ATOM 732 CG TYR A 47 9.094 6.544 -18.496 1.00 0.00 C ATOM 733 CD1 TYR A 47 9.434 6.881 -17.186 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.651 7.584 -19.328 1.00 0.00 C ATOM 735 CE1 TYR A 47 9.341 8.185 -16.721 1.00 0.00 C ATOM 736 CE2 TYR A 47 8.562 8.888 -18.868 1.00 0.00 C ATOM 737 CZ TYR A 47 8.903 9.181 -17.563 1.00 0.00 C ATOM 738 OH TYR A 47 8.823 10.482 -17.102 1.00 0.00 O ATOM 0 H TYR A 47 11.320 4.514 -16.956 1.00 0.00 H new ATOM 0 HA TYR A 47 10.684 3.677 -19.726 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.887 5.059 -20.053 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.539 4.455 -18.445 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.779 6.107 -16.516 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.374 7.363 -20.348 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.612 8.417 -15.702 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.227 9.673 -19.529 1.00 0.00 H new ATOM 0 HH TYR A 47 9.326 10.564 -16.265 1.00 0.00 H new ATOM 748 N PRO A 48 11.978 6.059 -20.426 1.00 0.00 N ATOM 749 CA PRO A 48 12.885 7.230 -20.622 1.00 0.00 C ATOM 750 C PRO A 48 12.440 8.446 -19.749 1.00 0.00 C ATOM 751 O PRO A 48 11.491 9.144 -20.117 1.00 0.00 O ATOM 752 CB PRO A 48 12.769 7.524 -22.155 1.00 0.00 C ATOM 753 CG PRO A 48 11.518 6.813 -22.594 1.00 0.00 C ATOM 754 CD PRO A 48 11.421 5.584 -21.721 1.00 0.00 C ATOM 0 HA PRO A 48 13.912 7.036 -20.314 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.703 8.595 -22.348 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.642 7.157 -22.695 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.642 7.450 -22.472 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.571 6.542 -23.648 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.392 5.241 -21.618 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.995 4.752 -22.128 1.00 0.00 H new ATOM 762 N PRO A 49 13.102 8.705 -18.558 1.00 0.00 N ATOM 763 CA PRO A 49 12.584 9.664 -17.565 1.00 0.00 C ATOM 764 C PRO A 49 12.763 11.138 -17.995 1.00 0.00 C ATOM 765 O PRO A 49 13.810 11.532 -18.517 1.00 0.00 O ATOM 766 CB PRO A 49 13.393 9.330 -16.289 1.00 0.00 C ATOM 767 CG PRO A 49 14.707 8.826 -16.804 1.00 0.00 C ATOM 768 CD PRO A 49 14.389 8.097 -18.100 1.00 0.00 C ATOM 0 HA PRO A 49 11.507 9.569 -17.427 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.524 10.210 -15.659 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.888 8.577 -15.684 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.401 9.648 -16.978 1.00 0.00 H new ATOM 0 HG3 PRO A 49 15.179 8.157 -16.084 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.179 8.234 -18.838 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.287 7.024 -17.938 1.00 0.00 H new ATOM 776 N GLU A 50 11.720 11.944 -17.736 1.00 0.00 N ATOM 777 CA GLU A 50 11.732 13.402 -17.959 1.00 0.00 C ATOM 778 C GLU A 50 12.539 14.142 -16.863 1.00 0.00 C ATOM 779 O GLU A 50 12.669 15.372 -16.923 1.00 0.00 O ATOM 780 CB GLU A 50 10.264 13.918 -17.999 1.00 0.00 C ATOM 781 CG GLU A 50 9.402 13.312 -19.128 1.00 0.00 C ATOM 782 CD GLU A 50 9.852 13.751 -20.533 1.00 0.00 C ATOM 783 OE1 GLU A 50 10.709 13.078 -21.148 1.00 0.00 O ATOM 784 OE2 GLU A 50 9.355 14.790 -21.028 1.00 0.00 O ATOM 0 H GLU A 50 10.836 11.600 -17.362 1.00 0.00 H new ATOM 0 HA GLU A 50 12.223 13.607 -18.910 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.790 13.702 -17.042 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.276 15.002 -18.111 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.442 12.225 -19.064 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.362 13.602 -18.979 1.00 0.00 H new ATOM 791 N CYS A 51 13.080 13.368 -15.884 1.00 0.00 N ATOM 792 CA CYS A 51 13.788 13.887 -14.699 1.00 0.00 C ATOM 793 C CYS A 51 12.832 14.761 -13.865 1.00 0.00 C ATOM 794 O CYS A 51 13.085 15.947 -13.624 1.00 0.00 O ATOM 795 CB CYS A 51 15.106 14.614 -15.090 1.00 0.00 C ATOM 796 SG CYS A 51 16.297 13.557 -15.950 1.00 0.00 S ATOM 0 H CYS A 51 13.031 12.349 -15.904 1.00 0.00 H new ATOM 0 HA CYS A 51 14.098 13.052 -14.071 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.865 15.466 -15.726 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.572 15.011 -14.188 1.00 0.00 H new ATOM 0 HG CYS A 51 17.361 14.247 -16.238 1.00 0.00 H new ATOM 802 N LEU A 52 11.717 14.127 -13.444 1.00 0.00 N ATOM 803 CA LEU A 52 10.630 14.785 -12.702 1.00 0.00 C ATOM 804 C LEU A 52 11.123 15.209 -11.305 1.00 0.00 C ATOM 805 O LEU A 52 11.251 14.366 -10.408 1.00 0.00 O ATOM 806 CB LEU A 52 9.403 13.830 -12.591 1.00 0.00 C ATOM 807 CG LEU A 52 8.795 13.342 -13.945 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.679 12.306 -13.708 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.282 14.531 -14.793 1.00 0.00 C ATOM 0 H LEU A 52 11.548 13.135 -13.613 1.00 0.00 H new ATOM 0 HA LEU A 52 10.320 15.680 -13.242 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.699 12.956 -12.011 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.621 14.338 -12.026 1.00 0.00 H new ATOM 0 HG LEU A 52 9.590 12.855 -14.509 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.273 11.983 -14.667 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.088 11.445 -13.179 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.886 12.756 -13.111 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.865 14.158 -15.728 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.510 15.066 -14.240 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.109 15.208 -15.009 1.00 0.00 H new ATOM 821 N ASP A 53 11.459 16.500 -11.173 1.00 0.00 N ATOM 822 CA ASP A 53 11.882 17.112 -9.912 1.00 0.00 C ATOM 823 C ASP A 53 10.631 17.551 -9.152 1.00 0.00 C ATOM 824 O ASP A 53 9.764 18.237 -9.706 1.00 0.00 O ATOM 825 CB ASP A 53 12.851 18.310 -10.168 1.00 0.00 C ATOM 826 CG ASP A 53 12.249 19.426 -11.044 1.00 0.00 C ATOM 827 OD1 ASP A 53 12.231 19.274 -12.288 1.00 0.00 O ATOM 828 OD2 ASP A 53 11.763 20.442 -10.499 1.00 0.00 O ATOM 0 H ASP A 53 11.443 17.156 -11.954 1.00 0.00 H new ATOM 0 HA ASP A 53 12.435 16.389 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.148 18.735 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.757 17.936 -10.645 1.00 0.00 H new ATOM 833 N LEU A 54 10.510 17.094 -7.909 1.00 0.00 N ATOM 834 CA LEU A 54 9.365 17.387 -7.051 1.00 0.00 C ATOM 835 C LEU A 54 9.660 18.687 -6.285 1.00 0.00 C ATOM 836 O LEU A 54 10.514 18.712 -5.393 1.00 0.00 O ATOM 837 CB LEU A 54 9.080 16.197 -6.091 1.00 0.00 C ATOM 838 CG LEU A 54 8.556 14.864 -6.730 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.618 14.190 -7.623 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.045 13.891 -5.636 1.00 0.00 C ATOM 0 H LEU A 54 11.212 16.503 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 54 8.465 17.523 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.999 15.973 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.349 16.527 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 54 7.717 15.123 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.210 13.271 -8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.896 14.866 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.500 13.956 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.687 12.974 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.859 13.655 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.230 14.359 -5.084 1.00 0.00 H new ATOM 852 N SER A 55 8.983 19.770 -6.692 1.00 0.00 N ATOM 853 CA SER A 55 9.173 21.119 -6.115 1.00 0.00 C ATOM 854 C SER A 55 7.917 21.562 -5.326 1.00 0.00 C ATOM 855 O SER A 55 7.729 22.753 -5.040 1.00 0.00 O ATOM 856 CB SER A 55 9.530 22.113 -7.256 1.00 0.00 C ATOM 857 OG SER A 55 9.887 23.395 -6.752 1.00 0.00 O ATOM 0 H SER A 55 8.284 19.740 -7.434 1.00 0.00 H new ATOM 0 HA SER A 55 9.997 21.103 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.356 21.711 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.679 22.212 -7.930 1.00 0.00 H new ATOM 0 HG SER A 55 9.359 23.590 -5.950 1.00 0.00 H new ATOM 863 N ASP A 56 7.075 20.585 -4.937 1.00 0.00 N ATOM 864 CA ASP A 56 5.848 20.831 -4.159 1.00 0.00 C ATOM 865 C ASP A 56 5.772 19.807 -3.017 1.00 0.00 C ATOM 866 O ASP A 56 5.691 18.616 -3.269 1.00 0.00 O ATOM 867 CB ASP A 56 4.596 20.737 -5.072 1.00 0.00 C ATOM 868 CG ASP A 56 3.293 21.164 -4.362 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.712 20.367 -3.589 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.843 22.310 -4.567 1.00 0.00 O ATOM 0 H ASP A 56 7.228 19.600 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 56 5.874 21.837 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.746 21.365 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.490 19.712 -5.428 1.00 0.00 H new ATOM 875 N ARG A 57 5.788 20.285 -1.766 1.00 0.00 N ATOM 876 CA ARG A 57 5.816 19.428 -0.551 1.00 0.00 C ATOM 877 C ARG A 57 4.614 18.448 -0.468 1.00 0.00 C ATOM 878 O ARG A 57 4.753 17.321 0.023 1.00 0.00 O ATOM 879 CB ARG A 57 5.883 20.336 0.714 1.00 0.00 C ATOM 880 CG ARG A 57 4.753 21.383 0.812 1.00 0.00 C ATOM 881 CD ARG A 57 4.929 22.394 1.965 1.00 0.00 C ATOM 882 NE ARG A 57 4.792 21.787 3.303 1.00 0.00 N ATOM 883 CZ ARG A 57 3.699 21.880 4.084 1.00 0.00 C ATOM 884 NH1 ARG A 57 2.564 22.398 3.619 1.00 0.00 N ATOM 885 NH2 ARG A 57 3.734 21.423 5.326 1.00 0.00 N ATOM 0 H ARG A 57 5.782 21.283 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 57 6.706 18.801 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.853 19.704 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.842 20.854 0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.695 21.929 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.802 20.865 0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.912 22.859 1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.191 23.189 1.857 1.00 0.00 H new ATOM 0 HE ARG A 57 5.585 21.257 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.513 22.732 2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.746 22.460 4.225 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.588 21.001 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.907 21.493 5.919 1.00 0.00 H new ATOM 899 N ASP A 58 3.447 18.887 -0.957 1.00 0.00 N ATOM 900 CA ASP A 58 2.185 18.117 -0.905 1.00 0.00 C ATOM 901 C ASP A 58 1.913 17.294 -2.185 1.00 0.00 C ATOM 902 O ASP A 58 0.878 16.612 -2.243 1.00 0.00 O ATOM 903 CB ASP A 58 0.994 19.063 -0.586 1.00 0.00 C ATOM 904 CG ASP A 58 0.938 19.476 0.896 1.00 0.00 C ATOM 905 OD1 ASP A 58 0.285 18.767 1.692 1.00 0.00 O ATOM 906 OD2 ASP A 58 1.565 20.484 1.282 1.00 0.00 O ATOM 0 H ASP A 58 3.345 19.797 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 58 2.294 17.388 -0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.071 19.957 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.061 18.568 -0.856 1.00 0.00 H new ATOM 911 N ILE A 59 2.805 17.358 -3.203 1.00 0.00 N ATOM 912 CA ILE A 59 2.604 16.624 -4.483 1.00 0.00 C ATOM 913 C ILE A 59 2.554 15.093 -4.236 1.00 0.00 C ATOM 914 O ILE A 59 3.474 14.511 -3.648 1.00 0.00 O ATOM 915 CB ILE A 59 3.681 17.011 -5.581 1.00 0.00 C ATOM 916 CG1 ILE A 59 3.205 16.589 -7.007 1.00 0.00 C ATOM 917 CG2 ILE A 59 5.092 16.431 -5.282 1.00 0.00 C ATOM 918 CD1 ILE A 59 4.114 17.040 -8.146 1.00 0.00 C ATOM 0 H ILE A 59 3.665 17.905 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 59 1.639 16.932 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 59 3.774 18.096 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.118 15.503 -7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.207 16.994 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.783 16.731 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.446 16.811 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.037 15.343 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.702 16.701 -9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.183 18.128 -8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.108 16.614 -8.009 1.00 0.00 H new ATOM 930 N THR A 60 1.441 14.465 -4.642 1.00 0.00 N ATOM 931 CA THR A 60 1.136 13.065 -4.298 1.00 0.00 C ATOM 932 C THR A 60 1.684 12.081 -5.351 1.00 0.00 C ATOM 933 O THR A 60 2.138 12.486 -6.428 1.00 0.00 O ATOM 934 CB THR A 60 -0.405 12.853 -4.123 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.081 13.011 -5.377 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.008 13.834 -3.101 1.00 0.00 C ATOM 0 H THR A 60 0.727 14.911 -5.217 1.00 0.00 H new ATOM 0 HA THR A 60 1.633 12.857 -3.350 1.00 0.00 H new ATOM 0 HB THR A 60 -0.544 11.838 -3.752 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.579 13.634 -5.943 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.079 13.652 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.532 13.688 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.841 14.857 -3.437 1.00 0.00 H new ATOM 944 N LEU A 61 1.606 10.771 -5.030 1.00 0.00 N ATOM 945 CA LEU A 61 1.992 9.682 -5.960 1.00 0.00 C ATOM 946 C LEU A 61 0.975 9.559 -7.121 1.00 0.00 C ATOM 947 O LEU A 61 1.188 8.781 -8.052 1.00 0.00 O ATOM 948 CB LEU A 61 2.111 8.317 -5.218 1.00 0.00 C ATOM 949 CG LEU A 61 2.945 8.299 -3.897 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.120 6.860 -3.357 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.304 9.012 -4.058 1.00 0.00 C ATOM 0 H LEU A 61 1.276 10.438 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 61 2.969 9.939 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.105 7.967 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.550 7.594 -5.906 1.00 0.00 H new ATOM 0 HG LEU A 61 2.378 8.862 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.705 6.885 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.141 6.427 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.638 6.253 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.849 8.974 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.886 8.514 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.138 10.052 -4.340 1.00 0.00 H new ATOM 963 N GLY A 62 -0.144 10.306 -7.023 1.00 0.00 N ATOM 964 CA GLY A 62 -1.109 10.430 -8.115 1.00 0.00 C ATOM 965 C GLY A 62 -0.594 11.298 -9.263 1.00 0.00 C ATOM 966 O GLY A 62 -1.065 11.166 -10.400 1.00 0.00 O ATOM 0 H GLY A 62 -0.396 10.834 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.350 9.437 -8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.035 10.857 -7.729 1.00 0.00 H new ATOM 970 N ASP A 63 0.378 12.187 -8.963 1.00 0.00 N ATOM 971 CA ASP A 63 0.989 13.085 -9.968 1.00 0.00 C ATOM 972 C ASP A 63 2.190 12.397 -10.631 1.00 0.00 C ATOM 973 O ASP A 63 2.326 12.400 -11.855 1.00 0.00 O ATOM 974 CB ASP A 63 1.444 14.411 -9.316 1.00 0.00 C ATOM 975 CG ASP A 63 0.315 15.127 -8.557 1.00 0.00 C ATOM 976 OD1 ASP A 63 -0.423 15.922 -9.171 1.00 0.00 O ATOM 977 OD2 ASP A 63 0.140 14.877 -7.347 1.00 0.00 O ATOM 0 H ASP A 63 0.759 12.302 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 63 0.237 13.309 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.265 14.208 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.832 15.075 -10.089 1.00 0.00 H new ATOM 982 N LEU A 64 3.060 11.803 -9.794 1.00 0.00 N ATOM 983 CA LEU A 64 4.299 11.138 -10.250 1.00 0.00 C ATOM 984 C LEU A 64 4.021 9.630 -10.546 1.00 0.00 C ATOM 985 O LEU A 64 3.055 9.082 -10.017 1.00 0.00 O ATOM 986 CB LEU A 64 5.429 11.299 -9.184 1.00 0.00 C ATOM 987 CG LEU A 64 5.908 12.744 -8.814 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.199 13.595 -10.064 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.935 13.431 -7.836 1.00 0.00 C ATOM 0 H LEU A 64 2.926 11.769 -8.783 1.00 0.00 H new ATOM 0 HA LEU A 64 4.636 11.613 -11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.090 10.817 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.298 10.742 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 64 6.858 12.647 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.528 14.588 -9.759 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.982 13.119 -10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.293 13.681 -10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.300 14.431 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.949 13.503 -8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.867 12.846 -6.919 1.00 0.00 H new ATOM 1001 N PRO A 65 4.854 8.931 -11.402 1.00 0.00 N ATOM 1002 CA PRO A 65 4.616 7.511 -11.809 1.00 0.00 C ATOM 1003 C PRO A 65 5.038 6.455 -10.746 1.00 0.00 C ATOM 1004 O PRO A 65 5.629 5.422 -11.095 1.00 0.00 O ATOM 1005 CB PRO A 65 5.444 7.380 -13.139 1.00 0.00 C ATOM 1006 CG PRO A 65 5.996 8.754 -13.420 1.00 0.00 C ATOM 1007 CD PRO A 65 6.057 9.452 -12.085 1.00 0.00 C ATOM 0 HA PRO A 65 3.553 7.303 -11.930 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.247 6.652 -13.029 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.813 7.037 -13.959 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.985 8.693 -13.875 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.357 9.297 -14.117 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.970 9.210 -11.541 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.027 10.536 -12.191 1.00 0.00 H new ATOM 1015 N ILE A 66 4.688 6.687 -9.460 1.00 0.00 N ATOM 1016 CA ILE A 66 4.832 5.656 -8.411 1.00 0.00 C ATOM 1017 C ILE A 66 3.595 4.763 -8.483 1.00 0.00 C ATOM 1018 O ILE A 66 2.463 5.260 -8.449 1.00 0.00 O ATOM 1019 CB ILE A 66 4.962 6.202 -6.930 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.184 7.155 -6.747 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.046 5.026 -5.918 1.00 0.00 C ATOM 1022 CD1 ILE A 66 5.998 8.555 -7.259 1.00 0.00 C ATOM 0 H ILE A 66 4.307 7.573 -9.127 1.00 0.00 H new ATOM 0 HA ILE A 66 5.769 5.137 -8.613 1.00 0.00 H new ATOM 0 HB ILE A 66 4.063 6.786 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.427 7.205 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.044 6.714 -7.251 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.135 5.422 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.145 4.418 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.918 4.412 -6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.906 9.131 -7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.790 8.527 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.163 9.025 -6.739 1.00 0.00 H new ATOM 1034 N GLN A 67 3.823 3.461 -8.646 1.00 0.00 N ATOM 1035 CA GLN A 67 2.766 2.445 -8.629 1.00 0.00 C ATOM 1036 C GLN A 67 3.043 1.446 -7.490 1.00 0.00 C ATOM 1037 O GLN A 67 4.117 1.482 -6.865 1.00 0.00 O ATOM 1038 CB GLN A 67 2.700 1.741 -10.008 1.00 0.00 C ATOM 1039 CG GLN A 67 2.617 2.724 -11.206 1.00 0.00 C ATOM 1040 CD GLN A 67 2.347 2.066 -12.564 1.00 0.00 C ATOM 1041 OE1 GLN A 67 1.560 0.997 -12.587 1.00 0.00 O flip ATOM 1042 NE2 GLN A 67 2.810 2.550 -13.596 1.00 0.00 N flip ATOM 0 H GLN A 67 4.755 3.075 -8.795 1.00 0.00 H new ATOM 0 HA GLN A 67 1.796 2.908 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.581 1.111 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.832 1.082 -10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.829 3.450 -11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.553 3.279 -11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.412 3.372 -13.548 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.592 2.129 -14.499 1.00 0.00 H new ATOM 1051 N SER A 68 2.072 0.566 -7.214 1.00 0.00 N ATOM 1052 CA SER A 68 2.214 -0.469 -6.181 1.00 0.00 C ATOM 1053 C SER A 68 3.147 -1.576 -6.710 1.00 0.00 C ATOM 1054 O SER A 68 2.803 -2.285 -7.663 1.00 0.00 O ATOM 1055 CB SER A 68 0.826 -1.035 -5.794 1.00 0.00 C ATOM 1056 OG SER A 68 0.905 -1.886 -4.659 1.00 0.00 O ATOM 0 H SER A 68 1.173 0.550 -7.696 1.00 0.00 H new ATOM 0 HA SER A 68 2.653 -0.040 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.142 -0.212 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.411 -1.589 -6.636 1.00 0.00 H new ATOM 0 HG SER A 68 0.011 -2.224 -4.441 1.00 0.00 H new ATOM 1062 N GLY A 69 4.343 -1.677 -6.108 1.00 0.00 N ATOM 1063 CA GLY A 69 5.366 -2.643 -6.531 1.00 0.00 C ATOM 1064 C GLY A 69 6.323 -2.085 -7.579 1.00 0.00 C ATOM 1065 O GLY A 69 7.084 -2.847 -8.187 1.00 0.00 O ATOM 0 H GLY A 69 4.625 -1.095 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.938 -2.962 -5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.875 -3.530 -6.932 1.00 0.00 H new ATOM 1069 N ASP A 70 6.304 -0.750 -7.774 1.00 0.00 N ATOM 1070 CA ASP A 70 7.160 -0.071 -8.773 1.00 0.00 C ATOM 1071 C ASP A 70 8.586 0.104 -8.199 1.00 0.00 C ATOM 1072 O ASP A 70 8.813 -0.124 -7.005 1.00 0.00 O ATOM 1073 CB ASP A 70 6.538 1.309 -9.173 1.00 0.00 C ATOM 1074 CG ASP A 70 6.899 1.761 -10.608 1.00 0.00 C ATOM 1075 OD1 ASP A 70 8.000 2.303 -10.817 1.00 0.00 O ATOM 1076 OD2 ASP A 70 6.086 1.542 -11.538 1.00 0.00 O ATOM 0 H ASP A 70 5.701 -0.116 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 70 7.221 -0.682 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.453 1.249 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.875 2.068 -8.467 1.00 0.00 H new ATOM 1081 N MET A 71 9.531 0.515 -9.057 1.00 0.00 N ATOM 1082 CA MET A 71 10.920 0.777 -8.669 1.00 0.00 C ATOM 1083 C MET A 71 11.244 2.255 -8.909 1.00 0.00 C ATOM 1084 O MET A 71 11.251 2.733 -10.050 1.00 0.00 O ATOM 1085 CB MET A 71 11.927 -0.146 -9.422 1.00 0.00 C ATOM 1086 CG MET A 71 13.401 0.307 -9.330 1.00 0.00 C ATOM 1087 SD MET A 71 14.585 -0.958 -9.831 1.00 0.00 S ATOM 1088 CE MET A 71 14.631 -1.978 -8.364 1.00 0.00 C ATOM 0 H MET A 71 9.349 0.676 -10.048 1.00 0.00 H new ATOM 0 HA MET A 71 11.026 0.549 -7.608 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.845 -1.156 -9.021 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.640 -0.196 -10.472 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.540 1.189 -9.955 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.616 0.606 -8.304 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.399 -2.743 -8.477 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.861 -1.358 -7.497 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.661 -2.455 -8.222 1.00 0.00 H new ATOM 1098 N LEU A 72 11.483 2.963 -7.805 1.00 0.00 N ATOM 1099 CA LEU A 72 11.957 4.345 -7.811 1.00 0.00 C ATOM 1100 C LEU A 72 13.484 4.333 -7.792 1.00 0.00 C ATOM 1101 O LEU A 72 14.097 3.995 -6.769 1.00 0.00 O ATOM 1102 CB LEU A 72 11.376 5.118 -6.588 1.00 0.00 C ATOM 1103 CG LEU A 72 9.955 5.760 -6.774 1.00 0.00 C ATOM 1104 CD1 LEU A 72 8.987 4.865 -7.589 1.00 0.00 C ATOM 1105 CD2 LEU A 72 9.350 6.118 -5.399 1.00 0.00 C ATOM 0 H LEU A 72 11.350 2.585 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 72 11.617 4.859 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.332 4.433 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.076 5.910 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 72 10.090 6.671 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.022 5.364 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.403 4.689 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.854 3.912 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.365 6.562 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.258 5.215 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.000 6.830 -4.890 1.00 0.00 H new ATOM 1117 N ILE A 73 14.080 4.645 -8.950 1.00 0.00 N ATOM 1118 CA ILE A 73 15.519 4.849 -9.069 1.00 0.00 C ATOM 1119 C ILE A 73 15.835 6.222 -8.444 1.00 0.00 C ATOM 1120 O ILE A 73 15.729 7.273 -9.095 1.00 0.00 O ATOM 1121 CB ILE A 73 16.063 4.762 -10.558 1.00 0.00 C ATOM 1122 CG1 ILE A 73 15.780 3.354 -11.219 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.587 5.103 -10.601 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.335 3.090 -11.644 1.00 0.00 C ATOM 0 H ILE A 73 13.573 4.762 -9.827 1.00 0.00 H new ATOM 0 HA ILE A 73 16.029 4.040 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 73 15.520 5.501 -11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.420 3.251 -12.095 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.078 2.578 -10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.945 5.039 -11.628 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.745 6.114 -10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.136 4.395 -9.981 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.261 2.095 -12.084 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.683 3.151 -10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.030 3.835 -12.379 1.00 0.00 H new ATOM 1136 N VAL A 74 16.101 6.184 -7.138 1.00 0.00 N ATOM 1137 CA VAL A 74 16.484 7.343 -6.345 1.00 0.00 C ATOM 1138 C VAL A 74 17.917 7.757 -6.707 1.00 0.00 C ATOM 1139 O VAL A 74 18.885 7.056 -6.370 1.00 0.00 O ATOM 1140 CB VAL A 74 16.365 7.020 -4.809 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.900 8.170 -3.920 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.907 6.655 -4.432 1.00 0.00 C ATOM 0 H VAL A 74 16.054 5.323 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 74 15.811 8.171 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 74 16.998 6.154 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.795 7.897 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.952 8.345 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.330 9.078 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.851 6.436 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.250 7.493 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.593 5.779 -4.999 1.00 0.00 H new ATOM 1152 N GLU A 75 18.029 8.877 -7.427 1.00 0.00 N ATOM 1153 CA GLU A 75 19.320 9.469 -7.773 1.00 0.00 C ATOM 1154 C GLU A 75 19.895 10.206 -6.554 1.00 0.00 C ATOM 1155 O GLU A 75 19.167 10.533 -5.608 1.00 0.00 O ATOM 1156 CB GLU A 75 19.180 10.431 -8.981 1.00 0.00 C ATOM 1157 CG GLU A 75 18.276 11.662 -8.750 1.00 0.00 C ATOM 1158 CD GLU A 75 18.312 12.650 -9.926 1.00 0.00 C ATOM 1159 OE1 GLU A 75 17.505 12.514 -10.871 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.178 13.549 -9.931 1.00 0.00 O ATOM 0 H GLU A 75 17.227 9.396 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 75 20.006 8.673 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.174 10.780 -9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.788 9.868 -9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.250 11.330 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.591 12.174 -7.840 1.00 0.00 H new ATOM 1167 N GLU A 76 21.206 10.429 -6.576 1.00 0.00 N ATOM 1168 CA GLU A 76 21.906 11.212 -5.559 1.00 0.00 C ATOM 1169 C GLU A 76 22.681 12.327 -6.261 1.00 0.00 C ATOM 1170 O GLU A 76 23.517 12.062 -7.136 1.00 0.00 O ATOM 1171 CB GLU A 76 22.854 10.307 -4.730 1.00 0.00 C ATOM 1172 CG GLU A 76 23.693 11.044 -3.658 1.00 0.00 C ATOM 1173 CD GLU A 76 24.632 10.118 -2.853 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.457 9.406 -3.473 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.544 10.090 -1.607 1.00 0.00 O ATOM 0 H GLU A 76 21.819 10.068 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 76 21.189 11.649 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.259 9.538 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.533 9.796 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.289 11.816 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.019 11.550 -2.968 1.00 0.00 H new ATOM 1182 N ASP A 77 22.371 13.573 -5.885 1.00 0.00 N ATOM 1183 CA ASP A 77 23.060 14.769 -6.394 1.00 0.00 C ATOM 1184 C ASP A 77 24.536 14.812 -5.934 1.00 0.00 C ATOM 1185 O ASP A 77 25.367 15.474 -6.568 1.00 0.00 O ATOM 1186 CB ASP A 77 22.297 16.029 -5.923 1.00 0.00 C ATOM 1187 CG ASP A 77 22.857 17.350 -6.492 1.00 0.00 C ATOM 1188 OD1 ASP A 77 22.668 17.612 -7.703 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.459 18.142 -5.734 1.00 0.00 O ATOM 0 H ASP A 77 21.631 13.783 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 77 23.068 14.735 -7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.250 15.936 -6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.326 16.073 -4.834 1.00 0.00 H new ATOM 1194 N GLN A 78 24.837 14.084 -4.831 1.00 0.00 N ATOM 1195 CA GLN A 78 26.183 14.004 -4.221 1.00 0.00 C ATOM 1196 C GLN A 78 26.637 15.385 -3.704 1.00 0.00 C ATOM 1197 O GLN A 78 27.831 15.712 -3.697 1.00 0.00 O ATOM 1198 CB GLN A 78 27.228 13.369 -5.197 1.00 0.00 C ATOM 1199 CG GLN A 78 26.920 11.912 -5.603 1.00 0.00 C ATOM 1200 CD GLN A 78 28.029 11.274 -6.444 1.00 0.00 C ATOM 1201 OE1 GLN A 78 28.959 10.675 -5.908 1.00 0.00 O ATOM 1202 NE2 GLN A 78 27.939 11.394 -7.759 1.00 0.00 N ATOM 0 H GLN A 78 24.140 13.529 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 78 26.118 13.337 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 78 27.283 13.980 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.211 13.402 -4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.766 11.316 -4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.987 11.888 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.154 11.898 -8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.654 10.983 -8.359 1.00 0.00 H new ATOM 1211 N THR A 79 25.651 16.166 -3.237 1.00 0.00 N ATOM 1212 CA THR A 79 25.874 17.480 -2.619 1.00 0.00 C ATOM 1213 C THR A 79 26.581 17.341 -1.247 1.00 0.00 C ATOM 1214 O THR A 79 27.394 18.196 -0.873 1.00 0.00 O ATOM 1215 CB THR A 79 24.521 18.263 -2.473 1.00 0.00 C ATOM 1216 OG1 THR A 79 24.735 19.524 -1.824 1.00 0.00 O ATOM 1217 CG2 THR A 79 23.453 17.464 -1.703 1.00 0.00 C ATOM 0 H THR A 79 24.667 15.900 -3.279 1.00 0.00 H new ATOM 0 HA THR A 79 26.530 18.051 -3.276 1.00 0.00 H new ATOM 0 HB THR A 79 24.148 18.426 -3.484 1.00 0.00 H new ATOM 0 HG1 THR A 79 23.882 19.999 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.539 18.053 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 79 23.245 16.533 -2.230 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.819 17.240 -0.701 1.00 0.00 H new ATOM 1225 N ARG A 80 26.282 16.239 -0.528 1.00 0.00 N ATOM 1226 CA ARG A 80 26.835 15.956 0.810 1.00 0.00 C ATOM 1227 C ARG A 80 26.656 14.448 1.141 1.00 0.00 C ATOM 1228 O ARG A 80 25.736 13.811 0.603 1.00 0.00 O ATOM 1229 CB ARG A 80 26.172 16.906 1.872 1.00 0.00 C ATOM 1230 CG ARG A 80 24.622 16.815 2.026 1.00 0.00 C ATOM 1231 CD ARG A 80 24.166 15.729 3.025 1.00 0.00 C ATOM 1232 NE ARG A 80 22.704 15.686 3.214 1.00 0.00 N ATOM 1233 CZ ARG A 80 22.031 14.664 3.769 1.00 0.00 C ATOM 1234 NH1 ARG A 80 22.647 13.529 4.105 1.00 0.00 N ATOM 1235 NH2 ARG A 80 20.732 14.767 3.962 1.00 0.00 N ATOM 0 H ARG A 80 25.645 15.516 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 80 27.905 16.160 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 80 26.623 16.698 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 80 26.428 17.934 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.240 17.782 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 80 24.179 16.610 1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 80 24.509 14.756 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 80 24.645 15.907 3.988 1.00 0.00 H new ATOM 0 HE ARG A 80 22.164 16.492 2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.648 13.425 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.116 12.766 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.242 15.619 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.216 13.994 4.383 1.00 0.00 H new ATOM 1249 N PRO A 81 27.528 13.846 2.023 1.00 0.00 N ATOM 1250 CA PRO A 81 27.433 12.403 2.388 1.00 0.00 C ATOM 1251 C PRO A 81 26.182 12.075 3.239 1.00 0.00 C ATOM 1252 O PRO A 81 25.534 12.969 3.799 1.00 0.00 O ATOM 1253 CB PRO A 81 28.740 12.154 3.191 1.00 0.00 C ATOM 1254 CG PRO A 81 29.079 13.494 3.772 1.00 0.00 C ATOM 1255 CD PRO A 81 28.675 14.502 2.718 1.00 0.00 C ATOM 0 HA PRO A 81 27.330 11.766 1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 81 28.591 11.408 3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 81 29.539 11.786 2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.542 13.665 4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 81 30.143 13.567 3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 81 28.382 15.453 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 81 29.494 14.712 2.030 1.00 0.00 H new ATOM 1263 N LYS A 82 25.863 10.773 3.330 1.00 0.00 N ATOM 1264 CA LYS A 82 24.740 10.256 4.133 1.00 0.00 C ATOM 1265 C LYS A 82 25.086 10.393 5.635 1.00 0.00 C ATOM 1266 O LYS A 82 25.675 9.485 6.239 1.00 0.00 O ATOM 1267 CB LYS A 82 24.464 8.775 3.734 1.00 0.00 C ATOM 1268 CG LYS A 82 24.150 8.558 2.229 1.00 0.00 C ATOM 1269 CD LYS A 82 24.139 7.061 1.835 1.00 0.00 C ATOM 1270 CE LYS A 82 23.844 6.839 0.343 1.00 0.00 C ATOM 1271 NZ LYS A 82 24.841 7.508 -0.542 1.00 0.00 N ATOM 0 H LYS A 82 26.382 10.042 2.844 1.00 0.00 H new ATOM 0 HA LYS A 82 23.833 10.830 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 82 25.333 8.173 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 82 23.626 8.404 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 82 23.181 8.999 1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 82 24.892 9.083 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 82 25.105 6.619 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 82 23.390 6.539 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.836 5.770 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.848 7.216 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.963 6.950 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.504 8.461 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 25.752 7.580 -0.046 1.00 0.00 H new ATOM 1285 N ALA A 83 24.783 11.575 6.199 1.00 0.00 N ATOM 1286 CA ALA A 83 25.152 11.946 7.574 1.00 0.00 C ATOM 1287 C ALA A 83 24.049 11.537 8.565 1.00 0.00 C ATOM 1288 O ALA A 83 22.858 11.742 8.299 1.00 0.00 O ATOM 1289 CB ALA A 83 25.425 13.460 7.645 1.00 0.00 C ATOM 0 H ALA A 83 24.270 12.306 5.707 1.00 0.00 H new ATOM 0 HA ALA A 83 26.060 11.412 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 83 25.698 13.733 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 83 26.242 13.714 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 83 24.528 14.006 7.351 1.00 0.00 H new ATOM 1295 N SER A 84 24.455 10.945 9.697 1.00 0.00 N ATOM 1296 CA SER A 84 23.538 10.528 10.773 1.00 0.00 C ATOM 1297 C SER A 84 23.616 11.546 11.935 1.00 0.00 C ATOM 1298 O SER A 84 24.726 11.954 12.303 1.00 0.00 O ATOM 1299 CB SER A 84 23.915 9.108 11.267 1.00 0.00 C ATOM 1300 OG SER A 84 23.037 8.647 12.282 1.00 0.00 O ATOM 0 H SER A 84 25.434 10.740 9.895 1.00 0.00 H new ATOM 0 HA SER A 84 22.516 10.500 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 84 23.893 8.414 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 84 24.936 9.116 11.647 1.00 0.00 H new ATOM 0 HG SER A 84 23.307 7.749 12.565 1.00 0.00 H new ATOM 1306 N PRO A 85 22.443 11.997 12.513 1.00 0.00 N ATOM 1307 CA PRO A 85 22.418 12.878 13.717 1.00 0.00 C ATOM 1308 C PRO A 85 23.133 12.247 14.942 1.00 0.00 C ATOM 1309 O PRO A 85 23.687 12.961 15.787 1.00 0.00 O ATOM 1310 CB PRO A 85 20.901 13.072 13.995 1.00 0.00 C ATOM 1311 CG PRO A 85 20.238 12.808 12.677 1.00 0.00 C ATOM 1312 CD PRO A 85 21.060 11.720 12.024 1.00 0.00 C ATOM 0 HA PRO A 85 22.952 13.812 13.544 1.00 0.00 H new ATOM 0 HB2 PRO A 85 20.547 12.383 14.762 1.00 0.00 H new ATOM 0 HB3 PRO A 85 20.689 14.080 14.350 1.00 0.00 H new ATOM 0 HG2 PRO A 85 19.204 12.491 12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 85 20.216 13.707 12.061 1.00 0.00 H new ATOM 0 HD2 PRO A 85 20.720 10.727 12.318 1.00 0.00 H new ATOM 0 HD3 PRO A 85 21.000 11.768 10.937 1.00 0.00 H new ATOM 1320 N SER A 86 23.093 10.902 15.023 1.00 0.00 N ATOM 1321 CA SER A 86 23.745 10.119 16.089 1.00 0.00 C ATOM 1322 C SER A 86 24.205 8.751 15.521 1.00 0.00 C ATOM 1323 O SER A 86 25.422 8.548 15.332 1.00 0.00 O ATOM 1324 CB SER A 86 22.786 9.932 17.299 1.00 0.00 C ATOM 1325 OG SER A 86 22.417 11.185 17.870 1.00 0.00 O ATOM 1326 OXT SER A 86 23.337 7.900 15.220 1.00 0.00 O ATOM 0 H SER A 86 22.601 10.323 14.342 1.00 0.00 H new ATOM 0 HA SER A 86 24.621 10.661 16.446 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.891 9.400 16.977 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.269 9.314 18.056 1.00 0.00 H new ATOM 0 HG SER A 86 21.813 11.034 18.627 1.00 0.00 H new TER 1332 SER A 86