USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -57:sc= 1.27 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0517 K(o=-0.052,f=-0.97) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.53) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.591 F(o=-1.5,f=-0.59) USER MOD Single : A 44 TYR OH : rot -106:sc= 1.07 USER MOD Single : A 46 SER OG : rot -61:sc= 0.131 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.342 F(o=-1,f=-0.34) USER MOD Single : A 57 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.072) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.919 X(o=-0.92,f=-0.48) USER MOD Single : A 64 MET CE :methyl -137:sc= -1.73 (180deg=-5.02!) USER MOD Single : A 67 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00688 USER MOD Single : A 78 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.3!) USER MOD Single : A 79 HIS : no HD1:sc= -2.35 X(o=-2.3,f=-2.3) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.58) USER MOD Single : A 89 SER OG : rot -12:sc= -0.143 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 20.286 8.087 -7.090 1.00 0.00 N ATOM 2 CA MET A 21 18.870 7.742 -7.139 1.00 52.33 C ATOM 3 C MET A 21 18.441 7.019 -5.866 1.00 63.31 C ATOM 4 O MET A 21 17.496 6.231 -5.878 1.00 71.25 O ATOM 5 CB MET A 21 18.579 6.867 -8.359 1.00 2.52 C ATOM 6 CG MET A 21 19.587 5.747 -8.558 1.00 60.21 C ATOM 7 SD MET A 21 18.808 4.181 -8.999 1.00 13.12 S ATOM 8 CE MET A 21 19.059 3.243 -7.494 1.00 51.14 C ATOM 0 HA MET A 21 18.299 8.667 -7.219 1.00 52.33 H new ATOM 0 HB2 MET A 21 17.584 6.435 -8.257 1.00 2.52 H new ATOM 0 HB3 MET A 21 18.564 7.494 -9.250 1.00 2.52 H new ATOM 0 HG2 MET A 21 20.290 6.031 -9.341 1.00 60.21 H new ATOM 0 HG3 MET A 21 20.164 5.616 -7.643 1.00 60.21 H new ATOM 0 HE1 MET A 21 18.630 2.248 -7.610 1.00 51.14 H new ATOM 0 HE2 MET A 21 20.127 3.157 -7.293 1.00 51.14 H new ATOM 0 HE3 MET A 21 18.573 3.753 -6.662 1.00 51.14 H new ATOM 18 N ILE A 22 19.142 7.294 -4.771 1.00 72.20 N ATOM 19 CA ILE A 22 18.833 6.669 -3.490 1.00 74.31 C ATOM 20 C ILE A 22 17.625 7.331 -2.835 1.00 3.25 C ATOM 21 O ILE A 22 17.207 8.418 -3.232 1.00 53.33 O ATOM 22 CB ILE A 22 20.030 6.741 -2.525 1.00 25.52 C ATOM 23 CG1 ILE A 22 20.466 8.193 -2.325 1.00 4.05 C ATOM 24 CG2 ILE A 22 21.186 5.903 -3.052 1.00 31.33 C ATOM 25 CD1 ILE A 22 21.383 8.391 -1.138 1.00 51.51 C ATOM 0 H ILE A 22 19.927 7.945 -4.745 1.00 72.20 H new ATOM 0 HA ILE A 22 18.606 5.623 -3.695 1.00 74.31 H new ATOM 0 HB ILE A 22 19.724 6.338 -1.560 1.00 25.52 H new ATOM 0 HG12 ILE A 22 20.972 8.539 -3.226 1.00 4.05 H new ATOM 0 HG13 ILE A 22 19.580 8.815 -2.197 1.00 4.05 H new ATOM 0 HG21 ILE A 22 22.025 5.964 -2.359 1.00 31.33 H new ATOM 0 HG22 ILE A 22 20.869 4.865 -3.147 1.00 31.33 H new ATOM 0 HG23 ILE A 22 21.493 6.280 -4.028 1.00 31.33 H new ATOM 0 HD11 ILE A 22 21.652 9.444 -1.057 1.00 51.51 H new ATOM 0 HD12 ILE A 22 20.873 8.076 -0.228 1.00 51.51 H new ATOM 0 HD13 ILE A 22 22.286 7.796 -1.273 1.00 51.51 H new ATOM 37 N SER A 23 17.069 6.667 -1.825 1.00 14.52 N ATOM 38 CA SER A 23 15.908 7.189 -1.115 1.00 24.41 C ATOM 39 C SER A 23 14.710 7.316 -2.051 1.00 72.30 C ATOM 40 O SER A 23 14.834 7.145 -3.263 1.00 61.10 O ATOM 41 CB SER A 23 16.232 8.550 -0.496 1.00 15.33 C ATOM 42 OG SER A 23 15.844 9.607 -1.358 1.00 3.43 O ATOM 0 H SER A 23 17.404 5.767 -1.481 1.00 14.52 H new ATOM 0 HA SER A 23 15.653 6.487 -0.321 1.00 24.41 H new ATOM 0 HB2 SER A 23 15.719 8.650 0.461 1.00 15.33 H new ATOM 0 HB3 SER A 23 17.301 8.616 -0.293 1.00 15.33 H new ATOM 0 HG SER A 23 16.291 9.504 -2.224 1.00 3.43 H new ATOM 48 N GLY A 24 13.547 7.615 -1.477 1.00 24.14 N ATOM 49 CA GLY A 24 12.343 7.759 -2.273 1.00 51.04 C ATOM 50 C GLY A 24 12.436 8.901 -3.265 1.00 72.32 C ATOM 51 O GLY A 24 13.286 9.782 -3.130 1.00 12.03 O ATOM 0 H GLY A 24 13.419 7.760 -0.476 1.00 24.14 H new ATOM 0 HA2 GLY A 24 12.153 6.830 -2.810 1.00 51.04 H new ATOM 0 HA3 GLY A 24 11.492 7.924 -1.612 1.00 51.04 H new ATOM 55 N LEU A 25 11.562 8.887 -4.265 1.00 31.11 N ATOM 56 CA LEU A 25 11.550 9.929 -5.286 1.00 21.41 C ATOM 57 C LEU A 25 10.230 9.929 -6.049 1.00 34.34 C ATOM 58 O LEU A 25 9.305 9.192 -5.707 1.00 44.25 O ATOM 59 CB LEU A 25 12.715 9.732 -6.258 1.00 14.10 C ATOM 60 CG LEU A 25 12.729 8.411 -7.029 1.00 4.43 C ATOM 61 CD1 LEU A 25 12.951 8.662 -8.512 1.00 51.30 C ATOM 62 CD2 LEU A 25 13.800 7.483 -6.476 1.00 33.24 C ATOM 0 H LEU A 25 10.852 8.165 -4.391 1.00 31.11 H new ATOM 0 HA LEU A 25 11.660 10.892 -4.788 1.00 21.41 H new ATOM 0 HB2 LEU A 25 12.704 10.550 -6.978 1.00 14.10 H new ATOM 0 HB3 LEU A 25 13.647 9.813 -5.698 1.00 14.10 H new ATOM 0 HG LEU A 25 11.760 7.928 -6.905 1.00 4.43 H new ATOM 0 HD11 LEU A 25 12.958 7.711 -9.045 1.00 51.30 H new ATOM 0 HD12 LEU A 25 12.148 9.289 -8.899 1.00 51.30 H new ATOM 0 HD13 LEU A 25 13.907 9.166 -8.657 1.00 51.30 H new ATOM 0 HD21 LEU A 25 13.796 6.548 -7.036 1.00 33.24 H new ATOM 0 HD22 LEU A 25 14.777 7.958 -6.570 1.00 33.24 H new ATOM 0 HD23 LEU A 25 13.596 7.277 -5.425 1.00 33.24 H new ATOM 74 N ARG A 26 10.150 10.759 -7.084 1.00 43.30 N ATOM 75 CA ARG A 26 8.944 10.854 -7.897 1.00 70.54 C ATOM 76 C ARG A 26 7.753 11.298 -7.052 1.00 71.23 C ATOM 77 O ARG A 26 7.140 10.492 -6.349 1.00 53.32 O ATOM 78 CB ARG A 26 8.640 9.507 -8.556 1.00 60.41 C ATOM 79 CG ARG A 26 8.817 9.515 -10.065 1.00 35.33 C ATOM 80 CD ARG A 26 7.511 9.206 -10.782 1.00 33.14 C ATOM 81 NE ARG A 26 7.318 7.770 -10.971 1.00 43.10 N ATOM 82 CZ ARG A 26 6.332 7.251 -11.694 1.00 51.43 C ATOM 83 NH1 ARG A 26 5.454 8.045 -12.292 1.00 64.12 N ATOM 84 NH2 ARG A 26 6.222 5.935 -11.821 1.00 24.53 N ATOM 0 H ARG A 26 10.907 11.376 -7.379 1.00 43.30 H new ATOM 0 HA ARG A 26 9.117 11.600 -8.673 1.00 70.54 H new ATOM 0 HB2 ARG A 26 9.292 8.746 -8.126 1.00 60.41 H new ATOM 0 HB3 ARG A 26 7.615 9.219 -8.320 1.00 60.41 H new ATOM 0 HG2 ARG A 26 9.186 10.490 -10.384 1.00 35.33 H new ATOM 0 HG3 ARG A 26 9.571 8.780 -10.348 1.00 35.33 H new ATOM 0 HD2 ARG A 26 6.678 9.612 -10.208 1.00 33.14 H new ATOM 0 HD3 ARG A 26 7.503 9.704 -11.752 1.00 33.14 H new ATOM 0 HE ARG A 26 7.976 7.132 -10.524 1.00 43.10 H new ATOM 0 HH11 ARG A 26 5.535 9.057 -12.197 1.00 64.12 H new ATOM 0 HH12 ARG A 26 4.698 7.643 -12.847 1.00 64.12 H new ATOM 0 HH21 ARG A 26 6.895 5.320 -11.363 1.00 24.53 H new ATOM 0 HH22 ARG A 26 5.464 5.538 -12.376 1.00 24.53 H new ATOM 98 N THR A 27 7.429 12.586 -7.124 1.00 74.20 N ATOM 99 CA THR A 27 6.314 13.137 -6.365 1.00 3.15 C ATOM 100 C THR A 27 5.387 13.949 -7.263 1.00 11.44 C ATOM 101 O THR A 27 5.664 14.141 -8.448 1.00 13.24 O ATOM 102 CB THR A 27 6.808 14.032 -5.212 1.00 64.45 C ATOM 103 OG1 THR A 27 8.202 14.312 -5.371 1.00 75.14 O ATOM 104 CG2 THR A 27 6.569 13.362 -3.867 1.00 62.34 C ATOM 0 H THR A 27 7.924 13.267 -7.701 1.00 74.20 H new ATOM 0 HA THR A 27 5.765 12.292 -5.949 1.00 3.15 H new ATOM 0 HB THR A 27 6.246 14.966 -5.240 1.00 64.45 H new ATOM 0 HG1 THR A 27 8.507 14.883 -4.635 1.00 75.14 H new ATOM 0 HG21 THR A 27 6.926 14.012 -3.068 1.00 62.34 H new ATOM 0 HG22 THR A 27 5.503 13.178 -3.736 1.00 62.34 H new ATOM 0 HG23 THR A 27 7.107 12.415 -3.832 1.00 62.34 H new ATOM 112 N LEU A 28 4.287 14.425 -6.692 1.00 61.05 N ATOM 113 CA LEU A 28 3.318 15.217 -7.441 1.00 24.32 C ATOM 114 C LEU A 28 2.465 16.064 -6.502 1.00 71.42 C ATOM 115 O LEU A 28 2.247 15.698 -5.347 1.00 42.34 O ATOM 116 CB LEU A 28 2.421 14.305 -8.279 1.00 1.20 C ATOM 117 CG LEU A 28 2.782 14.186 -9.761 1.00 31.40 C ATOM 118 CD1 LEU A 28 2.346 12.836 -10.309 1.00 43.04 C ATOM 119 CD2 LEU A 28 2.148 15.317 -10.557 1.00 12.14 C ATOM 0 H LEU A 28 4.043 14.277 -5.713 1.00 61.05 H new ATOM 0 HA LEU A 28 3.868 15.884 -8.105 1.00 24.32 H new ATOM 0 HB2 LEU A 28 2.439 13.308 -7.840 1.00 1.20 H new ATOM 0 HB3 LEU A 28 1.396 14.668 -8.203 1.00 1.20 H new ATOM 0 HG LEU A 28 3.865 14.263 -9.859 1.00 31.40 H new ATOM 0 HD11 LEU A 28 2.611 12.769 -11.364 1.00 43.04 H new ATOM 0 HD12 LEU A 28 2.847 12.040 -9.758 1.00 43.04 H new ATOM 0 HD13 LEU A 28 1.267 12.730 -10.198 1.00 43.04 H new ATOM 0 HD21 LEU A 28 2.416 15.216 -11.609 1.00 12.14 H new ATOM 0 HD22 LEU A 28 1.064 15.272 -10.452 1.00 12.14 H new ATOM 0 HD23 LEU A 28 2.510 16.274 -10.181 1.00 12.14 H new ATOM 131 N GLU A 29 1.983 17.196 -7.006 1.00 71.21 N ATOM 132 CA GLU A 29 1.153 18.093 -6.212 1.00 54.42 C ATOM 133 C GLU A 29 -0.319 17.953 -6.593 1.00 50.35 C ATOM 134 O GLU A 29 -1.060 18.934 -6.614 1.00 23.30 O ATOM 135 CB GLU A 29 1.603 19.543 -6.401 1.00 64.24 C ATOM 136 CG GLU A 29 1.699 20.325 -5.102 1.00 53.41 C ATOM 137 CD GLU A 29 3.086 20.271 -4.490 1.00 22.11 C ATOM 138 OE1 GLU A 29 3.370 19.303 -3.753 1.00 22.55 O ATOM 139 OE2 GLU A 29 3.885 21.195 -4.745 1.00 0.41 O ATOM 0 H GLU A 29 2.153 17.513 -7.960 1.00 71.21 H new ATOM 0 HA GLU A 29 1.268 17.818 -5.163 1.00 54.42 H new ATOM 0 HB2 GLU A 29 2.576 19.551 -6.893 1.00 64.24 H new ATOM 0 HB3 GLU A 29 0.904 20.047 -7.068 1.00 64.24 H new ATOM 0 HG2 GLU A 29 1.428 21.364 -5.287 1.00 53.41 H new ATOM 0 HG3 GLU A 29 0.976 19.929 -4.389 1.00 53.41 H new ATOM 146 N GLN A 30 -0.732 16.726 -6.891 1.00 11.21 N ATOM 147 CA GLN A 30 -2.113 16.457 -7.273 1.00 53.41 C ATOM 148 C GLN A 30 -3.082 16.983 -6.218 1.00 1.24 C ATOM 149 O GLN A 30 -2.884 16.774 -5.021 1.00 70.32 O ATOM 150 CB GLN A 30 -2.326 14.955 -7.474 1.00 14.42 C ATOM 151 CG GLN A 30 -2.066 14.131 -6.223 1.00 43.14 C ATOM 152 CD GLN A 30 -1.568 12.734 -6.537 1.00 14.25 C ATOM 153 OE1 GLN A 30 -1.694 12.257 -7.666 1.00 75.34 O ATOM 154 NE2 GLN A 30 -0.998 12.069 -5.539 1.00 41.52 N ATOM 0 H GLN A 30 -0.130 15.902 -6.875 1.00 11.21 H new ATOM 0 HA GLN A 30 -2.311 16.974 -8.212 1.00 53.41 H new ATOM 0 HB2 GLN A 30 -3.350 14.783 -7.806 1.00 14.42 H new ATOM 0 HB3 GLN A 30 -1.669 14.607 -8.271 1.00 14.42 H new ATOM 0 HG2 GLN A 30 -1.332 14.643 -5.601 1.00 43.14 H new ATOM 0 HG3 GLN A 30 -2.985 14.063 -5.640 1.00 43.14 H new ATOM 0 HE21 GLN A 30 -0.914 12.502 -4.619 1.00 41.52 H new ATOM 0 HE22 GLN A 30 -0.644 11.125 -5.692 1.00 41.52 H new ATOM 163 N SER A 31 -4.128 17.667 -6.670 1.00 15.30 N ATOM 164 CA SER A 31 -5.124 18.226 -5.766 1.00 20.14 C ATOM 165 C SER A 31 -6.118 17.157 -5.323 1.00 72.11 C ATOM 166 O SER A 31 -6.035 16.003 -5.745 1.00 2.02 O ATOM 167 CB SER A 31 -5.867 19.380 -6.443 1.00 15.13 C ATOM 168 OG SER A 31 -5.829 20.550 -5.644 1.00 35.43 O ATOM 0 H SER A 31 -4.307 17.847 -7.658 1.00 15.30 H new ATOM 0 HA SER A 31 -4.606 18.603 -4.884 1.00 20.14 H new ATOM 0 HB2 SER A 31 -5.418 19.585 -7.415 1.00 15.13 H new ATOM 0 HB3 SER A 31 -6.903 19.093 -6.624 1.00 15.13 H new ATOM 0 HG SER A 31 -6.309 21.273 -6.099 1.00 35.43 H new ATOM 174 N VAL A 32 -7.057 17.549 -4.469 1.00 21.10 N ATOM 175 CA VAL A 32 -8.068 16.625 -3.968 1.00 5.34 C ATOM 176 C VAL A 32 -8.866 16.011 -5.113 1.00 4.34 C ATOM 177 O VAL A 32 -8.952 14.790 -5.238 1.00 0.24 O ATOM 178 CB VAL A 32 -9.039 17.326 -2.999 1.00 43.33 C ATOM 179 CG1 VAL A 32 -10.142 16.373 -2.564 1.00 72.24 C ATOM 180 CG2 VAL A 32 -8.287 17.871 -1.793 1.00 3.55 C ATOM 0 H VAL A 32 -7.139 18.500 -4.109 1.00 21.10 H new ATOM 0 HA VAL A 32 -7.539 15.837 -3.433 1.00 5.34 H new ATOM 0 HB VAL A 32 -9.502 18.164 -3.520 1.00 43.33 H new ATOM 0 HG11 VAL A 32 -10.818 16.886 -1.880 1.00 72.24 H new ATOM 0 HG12 VAL A 32 -10.698 16.037 -3.439 1.00 72.24 H new ATOM 0 HG13 VAL A 32 -9.702 15.512 -2.061 1.00 72.24 H new ATOM 0 HG21 VAL A 32 -8.988 18.363 -1.119 1.00 3.55 H new ATOM 0 HG22 VAL A 32 -7.795 17.051 -1.270 1.00 3.55 H new ATOM 0 HG23 VAL A 32 -7.538 18.590 -2.126 1.00 3.55 H new ATOM 190 N GLY A 33 -9.449 16.866 -5.947 1.00 71.41 N ATOM 191 CA GLY A 33 -10.233 16.388 -7.071 1.00 1.03 C ATOM 192 C GLY A 33 -9.475 15.387 -7.922 1.00 4.54 C ATOM 193 O GLY A 33 -9.869 14.226 -8.023 1.00 23.33 O ATOM 0 H GLY A 33 -9.393 17.881 -5.865 1.00 71.41 H new ATOM 0 HA2 GLY A 33 -11.149 15.927 -6.701 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -10.530 17.235 -7.689 1.00 1.03 H new ATOM 197 N GLU A 34 -8.386 15.839 -8.537 1.00 14.20 N ATOM 198 CA GLU A 34 -7.575 14.975 -9.385 1.00 2.12 C ATOM 199 C GLU A 34 -7.192 13.694 -8.648 1.00 53.45 C ATOM 200 O GLU A 34 -7.349 12.593 -9.175 1.00 72.43 O ATOM 201 CB GLU A 34 -6.313 15.710 -9.842 1.00 30.02 C ATOM 202 CG GLU A 34 -5.342 14.832 -10.613 1.00 30.44 C ATOM 203 CD GLU A 34 -5.961 14.236 -11.862 1.00 41.34 C ATOM 204 OE1 GLU A 34 -6.612 13.176 -11.754 1.00 3.31 O ATOM 205 OE2 GLU A 34 -5.795 14.831 -12.948 1.00 13.54 O ATOM 0 H GLU A 34 -8.046 16.798 -8.463 1.00 14.20 H new ATOM 0 HA GLU A 34 -8.168 14.708 -10.260 1.00 2.12 H new ATOM 0 HB2 GLU A 34 -6.601 16.555 -10.468 1.00 30.02 H new ATOM 0 HB3 GLU A 34 -5.805 16.119 -8.969 1.00 30.02 H new ATOM 0 HG2 GLU A 34 -4.468 15.420 -10.891 1.00 30.44 H new ATOM 0 HG3 GLU A 34 -4.993 14.028 -9.966 1.00 30.44 H new ATOM 212 N TRP A 35 -6.687 13.848 -7.430 1.00 34.44 N ATOM 213 CA TRP A 35 -6.280 12.704 -6.621 1.00 74.51 C ATOM 214 C TRP A 35 -7.398 11.670 -6.541 1.00 42.13 C ATOM 215 O TRP A 35 -7.202 10.502 -6.881 1.00 42.12 O ATOM 216 CB TRP A 35 -5.891 13.161 -5.214 1.00 72.25 C ATOM 217 CG TRP A 35 -5.644 12.025 -4.268 1.00 42.51 C ATOM 218 CD1 TRP A 35 -5.045 10.833 -4.557 1.00 34.01 C ATOM 219 CD2 TRP A 35 -5.992 11.976 -2.880 1.00 43.01 C ATOM 220 NE1 TRP A 35 -5.001 10.044 -3.432 1.00 22.00 N ATOM 221 CE2 TRP A 35 -5.574 10.724 -2.390 1.00 40.11 C ATOM 222 CE3 TRP A 35 -6.614 12.869 -2.003 1.00 34.34 C ATOM 223 CZ2 TRP A 35 -5.760 10.343 -1.064 1.00 54.43 C ATOM 224 CZ3 TRP A 35 -6.800 12.490 -0.687 1.00 62.41 C ATOM 225 CH2 TRP A 35 -6.372 11.237 -0.227 1.00 53.30 C ATOM 0 H TRP A 35 -6.549 14.753 -6.980 1.00 34.44 H new ATOM 0 HA TRP A 35 -5.415 12.242 -7.098 1.00 74.51 H new ATOM 0 HB2 TRP A 35 -4.993 13.776 -5.275 1.00 72.25 H new ATOM 0 HB3 TRP A 35 -6.683 13.793 -4.813 1.00 72.25 H new ATOM 0 HD1 TRP A 35 -4.662 10.551 -5.527 1.00 34.01 H new ATOM 0 HE1 TRP A 35 -4.606 9.105 -3.381 1.00 22.00 H new ATOM 0 HE3 TRP A 35 -6.943 13.838 -2.348 1.00 34.34 H new ATOM 0 HZ2 TRP A 35 -5.433 9.377 -0.708 1.00 54.43 H new ATOM 0 HZ3 TRP A 35 -7.283 13.171 -0.002 1.00 62.41 H new ATOM 0 HH2 TRP A 35 -6.528 10.972 0.808 1.00 53.30 H new ATOM 236 N LEU A 36 -8.569 12.105 -6.091 1.00 32.21 N ATOM 237 CA LEU A 36 -9.719 11.215 -5.966 1.00 63.31 C ATOM 238 C LEU A 36 -10.177 10.722 -7.335 1.00 40.04 C ATOM 239 O LEU A 36 -10.730 9.631 -7.460 1.00 0.32 O ATOM 240 CB LEU A 36 -10.870 11.933 -5.259 1.00 64.11 C ATOM 241 CG LEU A 36 -10.580 12.432 -3.843 1.00 54.14 C ATOM 242 CD1 LEU A 36 -11.473 13.614 -3.500 1.00 32.45 C ATOM 243 CD2 LEU A 36 -10.768 11.308 -2.833 1.00 61.13 C ATOM 0 H LEU A 36 -8.748 13.068 -5.806 1.00 32.21 H new ATOM 0 HA LEU A 36 -9.417 10.353 -5.372 1.00 63.31 H new ATOM 0 HB2 LEU A 36 -11.170 12.785 -5.869 1.00 64.11 H new ATOM 0 HB3 LEU A 36 -11.723 11.256 -5.217 1.00 64.11 H new ATOM 0 HG LEU A 36 -9.542 12.763 -3.800 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -11.252 13.955 -2.489 1.00 32.45 H new ATOM 0 HD12 LEU A 36 -11.290 14.425 -4.205 1.00 32.45 H new ATOM 0 HD13 LEU A 36 -12.518 13.310 -3.560 1.00 32.45 H new ATOM 0 HD21 LEU A 36 -10.557 11.681 -1.831 1.00 61.13 H new ATOM 0 HD22 LEU A 36 -11.795 10.947 -2.878 1.00 61.13 H new ATOM 0 HD23 LEU A 36 -10.086 10.491 -3.067 1.00 61.13 H new ATOM 255 N GLU A 37 -9.941 11.536 -8.361 1.00 14.23 N ATOM 256 CA GLU A 37 -10.328 11.181 -9.721 1.00 44.15 C ATOM 257 C GLU A 37 -9.502 10.004 -10.233 1.00 3.12 C ATOM 258 O GLU A 37 -9.960 9.228 -11.071 1.00 3.23 O ATOM 259 CB GLU A 37 -10.156 12.382 -10.654 1.00 0.32 C ATOM 260 CG GLU A 37 -11.463 12.890 -11.239 1.00 25.55 C ATOM 261 CD GLU A 37 -11.539 12.707 -12.741 1.00 54.15 C ATOM 262 OE1 GLU A 37 -10.522 12.959 -13.422 1.00 22.41 O ATOM 263 OE2 GLU A 37 -12.615 12.312 -13.238 1.00 72.55 O ATOM 0 H GLU A 37 -9.484 12.444 -8.275 1.00 14.23 H new ATOM 0 HA GLU A 37 -11.378 10.887 -9.707 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -9.674 13.191 -10.106 1.00 0.32 H new ATOM 0 HB3 GLU A 37 -9.486 12.106 -11.468 1.00 0.32 H new ATOM 0 HG2 GLU A 37 -12.295 12.365 -10.770 1.00 25.55 H new ATOM 0 HG3 GLU A 37 -11.578 13.947 -10.999 1.00 25.55 H new ATOM 270 N SER A 38 -8.281 9.880 -9.723 1.00 41.52 N ATOM 271 CA SER A 38 -7.388 8.801 -10.131 1.00 43.50 C ATOM 272 C SER A 38 -7.861 7.464 -9.571 1.00 44.21 C ATOM 273 O SER A 38 -7.541 6.404 -10.110 1.00 32.52 O ATOM 274 CB SER A 38 -5.960 9.088 -9.662 1.00 63.23 C ATOM 275 OG SER A 38 -5.011 8.643 -10.616 1.00 32.02 O ATOM 0 H SER A 38 -7.887 10.513 -9.027 1.00 41.52 H new ATOM 0 HA SER A 38 -7.400 8.744 -11.219 1.00 43.50 H new ATOM 0 HB2 SER A 38 -5.837 10.158 -9.494 1.00 63.23 H new ATOM 0 HB3 SER A 38 -5.781 8.593 -8.708 1.00 63.23 H new ATOM 0 HG SER A 38 -4.107 8.839 -10.294 1.00 32.02 H new ATOM 281 N ILE A 39 -8.625 7.521 -8.485 1.00 24.35 N ATOM 282 CA ILE A 39 -9.143 6.316 -7.852 1.00 60.42 C ATOM 283 C ILE A 39 -10.616 6.107 -8.188 1.00 1.15 C ATOM 284 O ILE A 39 -11.141 5.001 -8.069 1.00 3.33 O ATOM 285 CB ILE A 39 -8.980 6.369 -6.322 1.00 4.50 C ATOM 286 CG1 ILE A 39 -9.807 7.516 -5.739 1.00 20.12 C ATOM 287 CG2 ILE A 39 -7.513 6.523 -5.950 1.00 42.04 C ATOM 288 CD1 ILE A 39 -9.866 7.511 -4.227 1.00 5.35 C ATOM 0 H ILE A 39 -8.899 8.390 -8.026 1.00 24.35 H new ATOM 0 HA ILE A 39 -8.562 5.481 -8.243 1.00 60.42 H new ATOM 0 HB ILE A 39 -9.344 5.432 -5.900 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -9.386 8.464 -6.075 1.00 20.12 H new ATOM 0 HG13 ILE A 39 -10.821 7.459 -6.134 1.00 20.12 H new ATOM 0 HG21 ILE A 39 -7.415 6.559 -4.865 1.00 42.04 H new ATOM 0 HG22 ILE A 39 -6.948 5.675 -6.338 1.00 42.04 H new ATOM 0 HG23 ILE A 39 -7.123 7.446 -6.380 1.00 42.04 H new ATOM 0 HD11 ILE A 39 -10.469 8.352 -3.884 1.00 5.35 H new ATOM 0 HD12 ILE A 39 -10.314 6.579 -3.883 1.00 5.35 H new ATOM 0 HD13 ILE A 39 -8.857 7.599 -3.823 1.00 5.35 H new ATOM 300 N GLY A 40 -11.278 7.180 -8.611 1.00 71.22 N ATOM 301 CA GLY A 40 -12.685 7.093 -8.960 1.00 52.30 C ATOM 302 C GLY A 40 -13.591 7.487 -7.812 1.00 71.13 C ATOM 303 O GLY A 40 -14.736 7.039 -7.734 1.00 33.14 O ATOM 0 H GLY A 40 -10.866 8.107 -8.718 1.00 71.22 H new ATOM 0 HA2 GLY A 40 -12.885 7.739 -9.815 1.00 52.30 H new ATOM 0 HA3 GLY A 40 -12.917 6.074 -9.269 1.00 52.30 H new ATOM 307 N LEU A 41 -13.081 8.324 -6.916 1.00 43.40 N ATOM 308 CA LEU A 41 -13.853 8.777 -5.764 1.00 52.32 C ATOM 309 C LEU A 41 -14.005 10.294 -5.772 1.00 52.54 C ATOM 310 O LEU A 41 -14.426 10.889 -4.781 1.00 74.32 O ATOM 311 CB LEU A 41 -13.181 8.326 -4.466 1.00 71.33 C ATOM 312 CG LEU A 41 -14.112 8.065 -3.283 1.00 41.42 C ATOM 313 CD1 LEU A 41 -14.995 6.857 -3.554 1.00 31.25 C ATOM 314 CD2 LEU A 41 -13.310 7.866 -2.005 1.00 14.14 C ATOM 0 H LEU A 41 -12.135 8.703 -6.965 1.00 43.40 H new ATOM 0 HA LEU A 41 -14.846 8.332 -5.825 1.00 52.32 H new ATOM 0 HB2 LEU A 41 -12.620 7.414 -4.669 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -12.457 9.086 -4.172 1.00 71.33 H new ATOM 0 HG LEU A 41 -14.754 8.936 -3.153 1.00 41.42 H new ATOM 0 HD11 LEU A 41 -15.651 6.687 -2.700 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -15.597 7.039 -4.444 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -14.370 5.978 -3.712 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -13.990 7.681 -1.174 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -12.642 7.013 -2.124 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -12.722 8.761 -1.801 1.00 14.14 H new ATOM 326 N GLN A 42 -13.658 10.913 -6.896 1.00 45.22 N ATOM 327 CA GLN A 42 -13.757 12.361 -7.032 1.00 5.41 C ATOM 328 C GLN A 42 -15.164 12.845 -6.695 1.00 10.21 C ATOM 329 O GLN A 42 -15.357 13.994 -6.301 1.00 21.41 O ATOM 330 CB GLN A 42 -13.385 12.787 -8.453 1.00 41.24 C ATOM 331 CG GLN A 42 -12.893 14.222 -8.549 1.00 13.20 C ATOM 332 CD GLN A 42 -13.845 15.115 -9.320 1.00 4.11 C ATOM 333 OE1 GLN A 42 -14.406 14.711 -10.339 1.00 55.42 O ATOM 334 NE2 GLN A 42 -14.033 16.338 -8.839 1.00 33.04 N ATOM 0 H GLN A 42 -13.306 10.434 -7.725 1.00 45.22 H new ATOM 0 HA GLN A 42 -13.059 12.815 -6.329 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -12.611 12.120 -8.832 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -14.255 12.666 -9.099 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -12.757 14.623 -7.545 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -11.916 14.236 -9.032 1.00 13.20 H new ATOM 0 HE21 GLN A 42 -13.548 16.633 -7.991 1.00 33.04 H new ATOM 0 HE22 GLN A 42 -14.662 16.983 -9.317 1.00 33.04 H new ATOM 343 N GLN A 43 -16.143 11.959 -6.853 1.00 23.01 N ATOM 344 CA GLN A 43 -17.532 12.297 -6.567 1.00 42.31 C ATOM 345 C GLN A 43 -17.721 12.612 -5.087 1.00 31.15 C ATOM 346 O GLN A 43 -18.537 13.457 -4.721 1.00 2.15 O ATOM 347 CB GLN A 43 -18.454 11.148 -6.978 1.00 30.54 C ATOM 348 CG GLN A 43 -18.188 9.855 -6.224 1.00 13.14 C ATOM 349 CD GLN A 43 -18.043 8.661 -7.147 1.00 4.30 C ATOM 350 OE1 GLN A 43 -17.201 7.710 -6.757 1.00 75.43 O flip ATOM 351 NE2 GLN A 43 -18.680 8.593 -8.198 1.00 32.55 N flip ATOM 0 H GLN A 43 -16.000 11.003 -7.177 1.00 23.01 H new ATOM 0 HA GLN A 43 -17.790 13.184 -7.145 1.00 42.31 H new ATOM 0 HB2 GLN A 43 -19.489 11.448 -6.815 1.00 30.54 H new ATOM 0 HB3 GLN A 43 -18.340 10.966 -8.047 1.00 30.54 H new ATOM 0 HG2 GLN A 43 -17.279 9.964 -5.632 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -19.004 9.672 -5.525 1.00 13.14 H new ATOM 0 HE21 GLN A 43 -19.316 9.347 -8.459 1.00 32.55 H new ATOM 0 HE22 GLN A 43 -18.572 7.783 -8.808 1.00 32.55 H new ATOM 360 N TYR A 44 -16.962 11.925 -4.239 1.00 53.33 N ATOM 361 CA TYR A 44 -17.048 12.130 -2.798 1.00 21.31 C ATOM 362 C TYR A 44 -16.098 13.235 -2.347 1.00 21.55 C ATOM 363 O TYR A 44 -15.897 13.444 -1.151 1.00 1.25 O ATOM 364 CB TYR A 44 -16.727 10.830 -2.058 1.00 62.50 C ATOM 365 CG TYR A 44 -17.905 10.253 -1.306 1.00 71.52 C ATOM 366 CD1 TYR A 44 -18.671 11.048 -0.462 1.00 40.54 C ATOM 367 CD2 TYR A 44 -18.251 8.915 -1.439 1.00 74.53 C ATOM 368 CE1 TYR A 44 -19.748 10.525 0.227 1.00 14.14 C ATOM 369 CE2 TYR A 44 -19.328 8.385 -0.754 1.00 74.14 C ATOM 370 CZ TYR A 44 -20.072 9.194 0.077 1.00 22.33 C ATOM 371 OH TYR A 44 -21.145 8.668 0.763 1.00 21.24 O ATOM 0 H TYR A 44 -16.281 11.222 -4.525 1.00 53.33 H new ATOM 0 HA TYR A 44 -18.067 12.434 -2.559 1.00 21.31 H new ATOM 0 HB2 TYR A 44 -16.369 10.092 -2.776 1.00 62.50 H new ATOM 0 HB3 TYR A 44 -15.913 11.013 -1.356 1.00 62.50 H new ATOM 0 HD1 TYR A 44 -18.420 12.092 -0.343 1.00 40.54 H new ATOM 0 HD2 TYR A 44 -17.669 8.278 -2.088 1.00 74.53 H new ATOM 0 HE1 TYR A 44 -20.333 11.156 0.880 1.00 14.14 H new ATOM 0 HE2 TYR A 44 -19.585 7.342 -0.869 1.00 74.14 H new ATOM 0 HH TYR A 44 -20.820 8.107 1.498 1.00 21.24 H new ATOM 381 N GLU A 45 -15.517 13.938 -3.314 1.00 23.43 N ATOM 382 CA GLU A 45 -14.588 15.022 -3.016 1.00 45.35 C ATOM 383 C GLU A 45 -15.273 16.118 -2.205 1.00 61.44 C ATOM 384 O GLU A 45 -14.689 16.672 -1.273 1.00 44.32 O ATOM 385 CB GLU A 45 -14.022 15.608 -4.311 1.00 32.34 C ATOM 386 CG GLU A 45 -13.233 16.891 -4.104 1.00 42.53 C ATOM 387 CD GLU A 45 -13.913 18.099 -4.717 1.00 53.30 C ATOM 388 OE1 GLU A 45 -15.048 18.416 -4.303 1.00 31.32 O ATOM 389 OE2 GLU A 45 -13.310 18.728 -5.612 1.00 53.20 O ATOM 0 H GLU A 45 -15.673 13.777 -4.309 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.770 14.613 -2.423 1.00 45.35 H new ATOM 0 HB2 GLU A 45 -13.377 14.867 -4.784 1.00 32.34 H new ATOM 0 HB3 GLU A 45 -14.843 15.803 -5.001 1.00 32.34 H new ATOM 0 HG2 GLU A 45 -13.095 17.060 -3.036 1.00 42.53 H new ATOM 0 HG3 GLU A 45 -12.241 16.777 -4.540 1.00 42.53 H new ATOM 396 N SER A 46 -16.514 16.427 -2.567 1.00 74.45 N ATOM 397 CA SER A 46 -17.277 17.459 -1.876 1.00 53.41 C ATOM 398 C SER A 46 -17.250 17.237 -0.367 1.00 2.32 C ATOM 399 O SER A 46 -17.060 18.176 0.408 1.00 40.42 O ATOM 400 CB SER A 46 -18.723 17.474 -2.375 1.00 21.35 C ATOM 401 OG SER A 46 -18.868 16.683 -3.542 1.00 71.21 O ATOM 0 H SER A 46 -17.012 15.977 -3.335 1.00 74.45 H new ATOM 0 HA SER A 46 -16.815 18.423 -2.092 1.00 53.41 H new ATOM 0 HB2 SER A 46 -19.385 17.100 -1.594 1.00 21.35 H new ATOM 0 HB3 SER A 46 -19.027 18.499 -2.586 1.00 21.35 H new ATOM 0 HG SER A 46 -18.302 17.045 -4.255 1.00 71.21 H new ATOM 407 N LYS A 47 -17.441 15.989 0.045 1.00 52.31 N ATOM 408 CA LYS A 47 -17.437 15.640 1.460 1.00 32.00 C ATOM 409 C LYS A 47 -16.053 15.843 2.067 1.00 25.31 C ATOM 410 O LYS A 47 -15.923 16.243 3.224 1.00 3.24 O ATOM 411 CB LYS A 47 -17.882 14.188 1.650 1.00 45.22 C ATOM 412 CG LYS A 47 -19.319 13.933 1.230 1.00 41.21 C ATOM 413 CD LYS A 47 -20.285 14.855 1.955 1.00 40.34 C ATOM 414 CE LYS A 47 -20.752 15.991 1.056 1.00 24.10 C ATOM 415 NZ LYS A 47 -22.108 15.733 0.497 1.00 44.25 N ATOM 0 H LYS A 47 -17.601 15.201 -0.582 1.00 52.31 H new ATOM 0 HA LYS A 47 -18.139 16.298 1.973 1.00 32.00 H new ATOM 0 HB2 LYS A 47 -17.223 13.537 1.076 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -17.765 13.915 2.699 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -19.415 14.077 0.154 1.00 41.21 H new ATOM 0 HG3 LYS A 47 -19.581 12.895 1.437 1.00 41.21 H new ATOM 0 HD2 LYS A 47 -21.147 14.283 2.298 1.00 40.34 H new ATOM 0 HD3 LYS A 47 -19.802 15.266 2.841 1.00 40.34 H new ATOM 0 HE2 LYS A 47 -20.764 16.922 1.623 1.00 24.10 H new ATOM 0 HE3 LYS A 47 -20.042 16.124 0.240 1.00 24.10 H new ATOM 0 HZ1 LYS A 47 -22.391 16.529 -0.110 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -22.091 14.858 -0.065 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -22.791 15.631 1.275 1.00 44.25 H new ATOM 429 N LEU A 48 -15.021 15.564 1.279 1.00 0.24 N ATOM 430 CA LEU A 48 -13.644 15.717 1.739 1.00 61.20 C ATOM 431 C LEU A 48 -13.203 17.174 1.663 1.00 42.21 C ATOM 432 O LEU A 48 -12.114 17.529 2.115 1.00 23.30 O ATOM 433 CB LEU A 48 -12.706 14.844 0.901 1.00 13.43 C ATOM 434 CG LEU A 48 -11.583 14.143 1.665 1.00 44.52 C ATOM 435 CD1 LEU A 48 -11.290 12.782 1.052 1.00 2.33 C ATOM 436 CD2 LEU A 48 -10.329 15.004 1.679 1.00 4.51 C ATOM 0 H LEU A 48 -15.111 15.231 0.319 1.00 0.24 H new ATOM 0 HA LEU A 48 -13.597 15.397 2.780 1.00 61.20 H new ATOM 0 HB2 LEU A 48 -13.303 14.085 0.395 1.00 13.43 H new ATOM 0 HB3 LEU A 48 -12.258 15.466 0.126 1.00 13.43 H new ATOM 0 HG LEU A 48 -11.908 13.993 2.695 1.00 44.52 H new ATOM 0 HD11 LEU A 48 -10.488 12.297 1.609 1.00 2.33 H new ATOM 0 HD12 LEU A 48 -12.186 12.163 1.094 1.00 2.33 H new ATOM 0 HD13 LEU A 48 -10.985 12.909 0.013 1.00 2.33 H new ATOM 0 HD21 LEU A 48 -9.540 14.489 2.227 1.00 4.51 H new ATOM 0 HD22 LEU A 48 -10.001 15.185 0.656 1.00 4.51 H new ATOM 0 HD23 LEU A 48 -10.546 15.956 2.164 1.00 4.51 H new ATOM 448 N LEU A 49 -14.057 18.016 1.090 1.00 1.22 N ATOM 449 CA LEU A 49 -13.756 19.437 0.956 1.00 22.31 C ATOM 450 C LEU A 49 -14.549 20.259 1.968 1.00 21.04 C ATOM 451 O LEU A 49 -14.020 21.186 2.581 1.00 33.35 O ATOM 452 CB LEU A 49 -14.071 19.914 -0.463 1.00 14.24 C ATOM 453 CG LEU A 49 -13.889 21.410 -0.724 1.00 14.42 C ATOM 454 CD1 LEU A 49 -12.473 21.843 -0.380 1.00 13.31 C ATOM 455 CD2 LEU A 49 -14.213 21.741 -2.174 1.00 64.13 C ATOM 0 H LEU A 49 -14.963 17.739 0.711 1.00 1.22 H new ATOM 0 HA LEU A 49 -12.693 19.578 1.153 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -13.437 19.364 -1.159 1.00 14.24 H new ATOM 0 HB3 LEU A 49 -15.103 19.648 -0.694 1.00 14.24 H new ATOM 0 HG LEU A 49 -14.580 21.958 -0.084 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -12.362 22.910 -0.572 1.00 13.31 H new ATOM 0 HD12 LEU A 49 -12.277 21.641 0.673 1.00 13.31 H new ATOM 0 HD13 LEU A 49 -11.764 21.288 -0.994 1.00 13.31 H new ATOM 0 HD21 LEU A 49 -14.078 22.809 -2.342 1.00 64.13 H new ATOM 0 HD22 LEU A 49 -13.547 21.183 -2.832 1.00 64.13 H new ATOM 0 HD23 LEU A 49 -15.246 21.468 -2.387 1.00 64.13 H new ATOM 467 N LEU A 50 -15.820 19.910 2.139 1.00 22.22 N ATOM 468 CA LEU A 50 -16.686 20.613 3.079 1.00 12.15 C ATOM 469 C LEU A 50 -16.257 20.347 4.519 1.00 64.21 C ATOM 470 O LEU A 50 -16.593 21.106 5.427 1.00 41.21 O ATOM 471 CB LEU A 50 -18.141 20.185 2.881 1.00 52.32 C ATOM 472 CG LEU A 50 -19.134 21.305 2.570 1.00 62.43 C ATOM 473 CD1 LEU A 50 -20.557 20.767 2.555 1.00 30.14 C ATOM 474 CD2 LEU A 50 -18.998 22.433 3.582 1.00 52.43 C ATOM 0 H LEU A 50 -16.273 19.145 1.639 1.00 22.22 H new ATOM 0 HA LEU A 50 -16.599 21.682 2.885 1.00 12.15 H new ATOM 0 HB2 LEU A 50 -18.178 19.458 2.069 1.00 52.32 H new ATOM 0 HB3 LEU A 50 -18.474 19.672 3.783 1.00 52.32 H new ATOM 0 HG LEU A 50 -18.908 21.702 1.581 1.00 62.43 H new ATOM 0 HD11 LEU A 50 -21.250 21.578 2.332 1.00 30.14 H new ATOM 0 HD12 LEU A 50 -20.646 19.994 1.792 1.00 30.14 H new ATOM 0 HD13 LEU A 50 -20.796 20.343 3.530 1.00 30.14 H new ATOM 0 HD21 LEU A 50 -19.712 23.222 3.346 1.00 52.43 H new ATOM 0 HD22 LEU A 50 -19.198 22.050 4.583 1.00 52.43 H new ATOM 0 HD23 LEU A 50 -17.986 22.836 3.544 1.00 52.43 H new ATOM 486 N ASN A 51 -15.512 19.265 4.718 1.00 73.41 N ATOM 487 CA ASN A 51 -15.035 18.899 6.047 1.00 22.20 C ATOM 488 C ASN A 51 -13.628 19.437 6.288 1.00 10.20 C ATOM 489 O ASN A 51 -12.906 18.950 7.157 1.00 2.33 O ATOM 490 CB ASN A 51 -15.049 17.378 6.216 1.00 60.44 C ATOM 491 CG ASN A 51 -15.510 16.954 7.597 1.00 52.20 C ATOM 492 OD1 ASN A 51 -16.720 16.412 7.675 1.00 50.43 O flip ATOM 493 ND2 ASN A 51 -14.787 17.111 8.581 1.00 53.10 N flip ATOM 0 H ASN A 51 -15.225 18.626 3.976 1.00 73.41 H new ATOM 0 HA ASN A 51 -15.705 19.345 6.782 1.00 22.20 H new ATOM 0 HB2 ASN A 51 -15.706 16.938 5.466 1.00 60.44 H new ATOM 0 HB3 ASN A 51 -14.049 16.986 6.034 1.00 60.44 H new ATOM 0 HD21 ASN A 51 -13.864 17.532 8.474 1.00 53.10 H new ATOM 0 HD22 ASN A 51 -15.111 16.820 9.503 1.00 53.10 H new ATOM 500 N GLY A 52 -13.246 20.447 5.510 1.00 21.34 N ATOM 501 CA GLY A 52 -11.927 21.034 5.655 1.00 23.12 C ATOM 502 C GLY A 52 -10.823 19.995 5.642 1.00 64.40 C ATOM 503 O GLY A 52 -9.784 20.173 6.277 1.00 20.35 O ATOM 0 H GLY A 52 -13.826 20.868 4.784 1.00 21.34 H new ATOM 0 HA2 GLY A 52 -11.760 21.747 4.848 1.00 23.12 H new ATOM 0 HA3 GLY A 52 -11.883 21.594 6.589 1.00 23.12 H new ATOM 507 N PHE A 53 -11.051 18.902 4.919 1.00 4.22 N ATOM 508 CA PHE A 53 -10.069 17.827 4.829 1.00 32.51 C ATOM 509 C PHE A 53 -9.389 17.826 3.463 1.00 13.43 C ATOM 510 O PHE A 53 -8.671 16.888 3.116 1.00 72.43 O ATOM 511 CB PHE A 53 -10.737 16.475 5.080 1.00 31.13 C ATOM 512 CG PHE A 53 -9.961 15.586 6.008 1.00 64.31 C ATOM 513 CD1 PHE A 53 -8.580 15.508 5.922 1.00 41.10 C ATOM 514 CD2 PHE A 53 -10.612 14.826 6.967 1.00 44.33 C ATOM 515 CE1 PHE A 53 -7.862 14.692 6.775 1.00 24.22 C ATOM 516 CE2 PHE A 53 -9.899 14.008 7.823 1.00 63.41 C ATOM 517 CZ PHE A 53 -8.523 13.940 7.726 1.00 3.33 C ATOM 0 H PHE A 53 -11.906 18.738 4.388 1.00 4.22 H new ATOM 0 HA PHE A 53 -9.310 17.996 5.593 1.00 32.51 H new ATOM 0 HB2 PHE A 53 -11.731 16.641 5.496 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -10.872 15.963 4.127 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -8.058 16.093 5.179 1.00 41.10 H new ATOM 0 HD2 PHE A 53 -11.688 14.874 7.046 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -6.786 14.642 6.698 1.00 24.22 H new ATOM 0 HE2 PHE A 53 -10.418 13.422 8.567 1.00 63.41 H new ATOM 0 HZ PHE A 53 -7.965 13.300 8.393 1.00 3.33 H new ATOM 527 N ASP A 54 -9.621 18.882 2.692 1.00 43.25 N ATOM 528 CA ASP A 54 -9.031 19.004 1.363 1.00 25.30 C ATOM 529 C ASP A 54 -7.512 19.108 1.450 1.00 32.24 C ATOM 530 O ASP A 54 -6.806 18.866 0.471 1.00 35.14 O ATOM 531 CB ASP A 54 -9.598 20.228 0.640 1.00 54.31 C ATOM 532 CG ASP A 54 -8.846 21.499 0.980 1.00 72.24 C ATOM 533 OD1 ASP A 54 -8.739 21.823 2.182 1.00 75.13 O ATOM 534 OD2 ASP A 54 -8.365 22.173 0.044 1.00 65.04 O ATOM 0 H ASP A 54 -10.213 19.667 2.964 1.00 43.25 H new ATOM 0 HA ASP A 54 -9.284 18.108 0.797 1.00 25.30 H new ATOM 0 HB2 ASP A 54 -9.557 20.062 -0.437 1.00 54.31 H new ATOM 0 HB3 ASP A 54 -10.648 20.349 0.905 1.00 54.31 H new ATOM 539 N ASP A 55 -7.015 19.469 2.629 1.00 74.21 N ATOM 540 CA ASP A 55 -5.580 19.605 2.844 1.00 64.43 C ATOM 541 C ASP A 55 -4.845 18.335 2.423 1.00 73.45 C ATOM 542 O ASP A 55 -4.842 17.339 3.146 1.00 55.34 O ATOM 543 CB ASP A 55 -5.290 19.913 4.313 1.00 14.55 C ATOM 544 CG ASP A 55 -5.907 21.222 4.763 1.00 65.11 C ATOM 545 OD1 ASP A 55 -5.364 22.288 4.404 1.00 43.45 O ATOM 546 OD2 ASP A 55 -6.933 21.182 5.475 1.00 74.22 O ATOM 0 H ASP A 55 -7.586 19.672 3.450 1.00 74.21 H new ATOM 0 HA ASP A 55 -5.222 20.431 2.230 1.00 64.43 H new ATOM 0 HB2 ASP A 55 -5.672 19.102 4.933 1.00 14.55 H new ATOM 0 HB3 ASP A 55 -4.212 19.951 4.467 1.00 14.55 H new ATOM 551 N VAL A 56 -4.224 18.379 1.248 1.00 2.04 N ATOM 552 CA VAL A 56 -3.485 17.233 0.731 1.00 33.13 C ATOM 553 C VAL A 56 -2.185 17.025 1.498 1.00 42.44 C ATOM 554 O VAL A 56 -1.605 15.939 1.477 1.00 53.32 O ATOM 555 CB VAL A 56 -3.165 17.402 -0.766 1.00 31.43 C ATOM 556 CG1 VAL A 56 -2.397 16.196 -1.287 1.00 14.15 C ATOM 557 CG2 VAL A 56 -4.442 17.616 -1.563 1.00 54.40 C ATOM 0 H VAL A 56 -4.218 19.195 0.637 1.00 2.04 H new ATOM 0 HA VAL A 56 -4.123 16.359 0.862 1.00 33.13 H new ATOM 0 HB VAL A 56 -2.536 18.284 -0.888 1.00 31.43 H new ATOM 0 HG11 VAL A 56 -2.180 16.333 -2.346 1.00 14.15 H new ATOM 0 HG12 VAL A 56 -1.463 16.093 -0.735 1.00 14.15 H new ATOM 0 HG13 VAL A 56 -2.998 15.296 -1.153 1.00 14.15 H new ATOM 0 HG21 VAL A 56 -4.197 17.734 -2.619 1.00 54.40 H new ATOM 0 HG22 VAL A 56 -5.098 16.755 -1.437 1.00 54.40 H new ATOM 0 HG23 VAL A 56 -4.948 18.513 -1.206 1.00 54.40 H new ATOM 567 N HIS A 57 -1.730 18.074 2.176 1.00 51.41 N ATOM 568 CA HIS A 57 -0.496 18.007 2.952 1.00 40.15 C ATOM 569 C HIS A 57 -0.786 17.627 4.402 1.00 32.12 C ATOM 570 O HIS A 57 0.053 17.811 5.282 1.00 2.24 O ATOM 571 CB HIS A 57 0.237 19.348 2.902 1.00 5.31 C ATOM 572 CG HIS A 57 -0.525 20.472 3.536 1.00 63.24 C ATOM 573 ND1 HIS A 57 -1.275 21.375 2.812 1.00 24.20 N ATOM 574 CD2 HIS A 57 -0.652 20.834 4.834 1.00 24.11 C ATOM 575 CE1 HIS A 57 -1.827 22.246 3.637 1.00 23.40 C ATOM 576 NE2 HIS A 57 -1.466 21.939 4.870 1.00 2.32 N ATOM 0 H HIS A 57 -2.197 18.980 2.204 1.00 51.41 H new ATOM 0 HA HIS A 57 0.139 17.238 2.512 1.00 40.15 H new ATOM 0 HB2 HIS A 57 1.200 19.245 3.402 1.00 5.31 H new ATOM 0 HB3 HIS A 57 0.444 19.601 1.862 1.00 5.31 H new ATOM 0 HD2 HIS A 57 -0.198 20.345 5.683 1.00 24.11 H new ATOM 0 HE1 HIS A 57 -2.465 23.069 3.352 1.00 23.40 H new ATOM 0 HE2 HIS A 57 -1.746 22.441 5.712 1.00 2.32 H new ATOM 584 N PHE A 58 -1.982 17.096 4.641 1.00 2.54 N ATOM 585 CA PHE A 58 -2.383 16.691 5.983 1.00 32.34 C ATOM 586 C PHE A 58 -2.653 15.191 6.040 1.00 21.42 C ATOM 587 O PHE A 58 -2.792 14.613 7.120 1.00 1.22 O ATOM 588 CB PHE A 58 -3.629 17.463 6.420 1.00 44.13 C ATOM 589 CG PHE A 58 -3.421 18.287 7.658 1.00 63.33 C ATOM 590 CD1 PHE A 58 -3.498 17.707 8.914 1.00 41.43 C ATOM 591 CD2 PHE A 58 -3.147 19.642 7.567 1.00 34.41 C ATOM 592 CE1 PHE A 58 -3.308 18.463 10.055 1.00 24.23 C ATOM 593 CE2 PHE A 58 -2.954 20.404 8.704 1.00 33.51 C ATOM 594 CZ PHE A 58 -3.034 19.813 9.950 1.00 25.44 C ATOM 0 H PHE A 58 -2.689 16.937 3.923 1.00 2.54 H new ATOM 0 HA PHE A 58 -1.565 16.921 6.665 1.00 32.34 H new ATOM 0 HB2 PHE A 58 -3.945 18.117 5.607 1.00 44.13 H new ATOM 0 HB3 PHE A 58 -4.441 16.757 6.595 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -3.709 16.652 9.002 1.00 41.43 H new ATOM 0 HD2 PHE A 58 -3.083 20.109 6.595 1.00 34.41 H new ATOM 0 HE1 PHE A 58 -3.374 17.999 11.028 1.00 24.23 H new ATOM 0 HE2 PHE A 58 -2.741 21.459 8.618 1.00 33.51 H new ATOM 0 HZ PHE A 58 -2.883 20.405 10.840 1.00 25.44 H new ATOM 604 N LEU A 59 -2.729 14.564 4.871 1.00 73.52 N ATOM 605 CA LEU A 59 -2.985 13.130 4.787 1.00 21.03 C ATOM 606 C LEU A 59 -1.966 12.347 5.608 1.00 4.40 C ATOM 607 O LEU A 59 -2.284 11.306 6.182 1.00 70.34 O ATOM 608 CB LEU A 59 -2.944 12.670 3.329 1.00 12.42 C ATOM 609 CG LEU A 59 -4.234 12.857 2.529 1.00 71.50 C ATOM 610 CD1 LEU A 59 -5.345 11.989 3.099 1.00 21.32 C ATOM 611 CD2 LEU A 59 -4.648 14.320 2.520 1.00 33.44 C ATOM 0 H LEU A 59 -2.617 15.026 3.968 1.00 73.52 H new ATOM 0 HA LEU A 59 -3.978 12.938 5.194 1.00 21.03 H new ATOM 0 HB2 LEU A 59 -2.144 13.209 2.821 1.00 12.42 H new ATOM 0 HB3 LEU A 59 -2.678 11.613 3.310 1.00 12.42 H new ATOM 0 HG LEU A 59 -4.050 12.547 1.500 1.00 71.50 H new ATOM 0 HD11 LEU A 59 -6.255 12.135 2.518 1.00 21.32 H new ATOM 0 HD12 LEU A 59 -5.048 10.941 3.052 1.00 21.32 H new ATOM 0 HD13 LEU A 59 -5.529 12.268 4.137 1.00 21.32 H new ATOM 0 HD21 LEU A 59 -5.568 14.434 1.946 1.00 33.44 H new ATOM 0 HD22 LEU A 59 -4.814 14.657 3.543 1.00 33.44 H new ATOM 0 HD23 LEU A 59 -3.859 14.919 2.064 1.00 33.44 H new ATOM 623 N GLY A 60 -0.739 12.856 5.661 1.00 54.22 N ATOM 624 CA GLY A 60 0.308 12.192 6.417 1.00 72.21 C ATOM 625 C GLY A 60 0.387 12.679 7.850 1.00 1.35 C ATOM 626 O GLY A 60 1.393 12.473 8.528 1.00 11.54 O ATOM 0 H GLY A 60 -0.451 13.716 5.194 1.00 54.22 H new ATOM 0 HA2 GLY A 60 0.130 11.117 6.411 1.00 72.21 H new ATOM 0 HA3 GLY A 60 1.267 12.358 5.927 1.00 72.21 H new ATOM 630 N SER A 61 -0.677 13.330 8.311 1.00 4.14 N ATOM 631 CA SER A 61 -0.721 13.853 9.672 1.00 1.23 C ATOM 632 C SER A 61 -2.034 13.480 10.355 1.00 33.14 C ATOM 633 O SER A 61 -2.041 12.794 11.376 1.00 43.52 O ATOM 634 CB SER A 61 -0.553 15.373 9.661 1.00 13.14 C ATOM 635 OG SER A 61 0.025 15.831 10.872 1.00 63.22 O ATOM 0 H SER A 61 -1.519 13.508 7.763 1.00 4.14 H new ATOM 0 HA SER A 61 0.100 13.407 10.234 1.00 1.23 H new ATOM 0 HB2 SER A 61 0.076 15.666 8.820 1.00 13.14 H new ATOM 0 HB3 SER A 61 -1.523 15.848 9.515 1.00 13.14 H new ATOM 0 HG SER A 61 0.124 16.805 10.839 1.00 63.22 H new ATOM 641 N ASN A 62 -3.142 13.937 9.782 1.00 31.22 N ATOM 642 CA ASN A 62 -4.462 13.653 10.334 1.00 31.45 C ATOM 643 C ASN A 62 -4.644 12.155 10.565 1.00 73.55 C ATOM 644 O ASN A 62 -4.016 11.333 9.898 1.00 54.32 O ATOM 645 CB ASN A 62 -5.553 14.172 9.396 1.00 13.43 C ATOM 646 CG ASN A 62 -6.608 14.980 10.127 1.00 23.14 C ATOM 647 OD1 ASN A 62 -6.536 16.208 10.183 1.00 61.15 O ATOM 648 ND2 ASN A 62 -7.593 14.292 10.693 1.00 20.24 N ATOM 0 H ASN A 62 -3.153 14.506 8.935 1.00 31.22 H new ATOM 0 HA ASN A 62 -4.545 14.164 11.293 1.00 31.45 H new ATOM 0 HB2 ASN A 62 -5.099 14.789 8.621 1.00 13.43 H new ATOM 0 HB3 ASN A 62 -6.028 13.329 8.894 1.00 13.43 H new ATOM 0 HD21 ASN A 62 -8.331 14.781 11.200 1.00 20.24 H new ATOM 0 HD22 ASN A 62 -7.612 13.275 10.621 1.00 20.24 H new ATOM 655 N VAL A 63 -5.508 11.809 11.513 1.00 25.41 N ATOM 656 CA VAL A 63 -5.775 10.412 11.832 1.00 4.52 C ATOM 657 C VAL A 63 -6.114 9.617 10.576 1.00 61.11 C ATOM 658 O VAL A 63 -5.613 8.512 10.373 1.00 32.03 O ATOM 659 CB VAL A 63 -6.931 10.276 12.840 1.00 61.31 C ATOM 660 CG1 VAL A 63 -8.151 11.049 12.362 1.00 74.22 C ATOM 661 CG2 VAL A 63 -7.273 8.811 13.065 1.00 12.02 C ATOM 0 H VAL A 63 -6.036 12.478 12.074 1.00 25.41 H new ATOM 0 HA VAL A 63 -4.865 10.011 12.279 1.00 4.52 H new ATOM 0 HB VAL A 63 -6.611 10.701 13.791 1.00 61.31 H new ATOM 0 HG11 VAL A 63 -8.957 10.941 13.087 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -7.896 12.104 12.258 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -8.475 10.657 11.398 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -8.092 8.734 13.780 1.00 12.02 H new ATOM 0 HG22 VAL A 63 -7.573 8.358 12.120 1.00 12.02 H new ATOM 0 HG23 VAL A 63 -6.400 8.289 13.456 1.00 12.02 H new ATOM 671 N MET A 64 -6.970 10.189 9.734 1.00 61.20 N ATOM 672 CA MET A 64 -7.375 9.534 8.496 1.00 3.10 C ATOM 673 C MET A 64 -7.800 8.093 8.756 1.00 70.24 C ATOM 674 O MET A 64 -7.365 7.174 8.064 1.00 33.41 O ATOM 675 CB MET A 64 -6.232 9.566 7.479 1.00 12.44 C ATOM 676 CG MET A 64 -6.699 9.767 6.046 1.00 21.14 C ATOM 677 SD MET A 64 -7.376 11.414 5.761 1.00 63.40 S ATOM 678 CE MET A 64 -8.873 11.014 4.863 1.00 12.42 C ATOM 0 H MET A 64 -7.396 11.103 9.887 1.00 61.20 H new ATOM 0 HA MET A 64 -8.228 10.077 8.090 1.00 3.10 H new ATOM 0 HB2 MET A 64 -5.543 10.368 7.744 1.00 12.44 H new ATOM 0 HB3 MET A 64 -5.673 8.632 7.543 1.00 12.44 H new ATOM 0 HG2 MET A 64 -5.862 9.600 5.368 1.00 21.14 H new ATOM 0 HG3 MET A 64 -7.456 9.021 5.807 1.00 21.14 H new ATOM 0 HE1 MET A 64 -8.991 11.704 4.028 1.00 12.42 H new ATOM 0 HE2 MET A 64 -8.809 9.994 4.485 1.00 12.42 H new ATOM 0 HE3 MET A 64 -9.731 11.101 5.529 1.00 12.42 H new ATOM 688 N GLU A 65 -8.653 7.904 9.758 1.00 11.45 N ATOM 689 CA GLU A 65 -9.135 6.574 10.110 1.00 22.43 C ATOM 690 C GLU A 65 -10.329 6.181 9.245 1.00 24.51 C ATOM 691 O GLU A 65 -10.687 6.890 8.305 1.00 55.23 O ATOM 692 CB GLU A 65 -9.525 6.523 11.589 1.00 74.14 C ATOM 693 CG GLU A 65 -8.697 5.543 12.403 1.00 45.31 C ATOM 694 CD GLU A 65 -9.520 4.806 13.441 1.00 75.44 C ATOM 695 OE1 GLU A 65 -9.667 5.333 14.564 1.00 64.44 O ATOM 696 OE2 GLU A 65 -10.017 3.702 13.132 1.00 62.30 O ATOM 0 H GLU A 65 -9.024 8.655 10.340 1.00 11.45 H new ATOM 0 HA GLU A 65 -8.328 5.864 9.929 1.00 22.43 H new ATOM 0 HB2 GLU A 65 -9.419 7.519 12.018 1.00 74.14 H new ATOM 0 HB3 GLU A 65 -10.577 6.251 11.669 1.00 74.14 H new ATOM 0 HG2 GLU A 65 -8.233 4.820 11.732 1.00 45.31 H new ATOM 0 HG3 GLU A 65 -7.889 6.080 12.900 1.00 45.31 H new ATOM 703 N GLU A 66 -10.940 5.046 9.569 1.00 13.11 N ATOM 704 CA GLU A 66 -12.092 4.559 8.820 1.00 23.52 C ATOM 705 C GLU A 66 -13.350 5.339 9.189 1.00 74.04 C ATOM 706 O GLU A 66 -14.311 5.386 8.421 1.00 23.44 O ATOM 707 CB GLU A 66 -12.306 3.067 9.086 1.00 2.44 C ATOM 708 CG GLU A 66 -12.420 2.721 10.562 1.00 3.43 C ATOM 709 CD GLU A 66 -12.846 1.285 10.794 1.00 41.24 C ATOM 710 OE1 GLU A 66 -11.973 0.393 10.744 1.00 43.30 O ATOM 711 OE2 GLU A 66 -14.051 1.053 11.023 1.00 4.50 O ATOM 0 H GLU A 66 -10.657 4.447 10.344 1.00 13.11 H new ATOM 0 HA GLU A 66 -11.893 4.707 7.759 1.00 23.52 H new ATOM 0 HB2 GLU A 66 -13.212 2.742 8.574 1.00 2.44 H new ATOM 0 HB3 GLU A 66 -11.477 2.507 8.653 1.00 2.44 H new ATOM 0 HG2 GLU A 66 -11.459 2.894 11.047 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -13.140 3.390 11.033 1.00 3.43 H new ATOM 718 N GLN A 67 -13.337 5.948 10.370 1.00 72.24 N ATOM 719 CA GLN A 67 -14.477 6.724 10.842 1.00 45.32 C ATOM 720 C GLN A 67 -14.495 8.109 10.202 1.00 64.44 C ATOM 721 O GLN A 67 -15.557 8.641 9.878 1.00 22.22 O ATOM 722 CB GLN A 67 -14.438 6.854 12.365 1.00 34.34 C ATOM 723 CG GLN A 67 -15.815 6.888 13.008 1.00 20.25 C ATOM 724 CD GLN A 67 -16.563 5.578 12.857 1.00 13.13 C ATOM 725 OE1 GLN A 67 -16.178 4.560 13.434 1.00 43.45 O ATOM 726 NE2 GLN A 67 -17.637 5.596 12.078 1.00 40.24 N ATOM 0 H GLN A 67 -12.549 5.919 11.018 1.00 72.24 H new ATOM 0 HA GLN A 67 -15.387 6.198 10.553 1.00 45.32 H new ATOM 0 HB2 GLN A 67 -13.874 6.018 12.778 1.00 34.34 H new ATOM 0 HB3 GLN A 67 -13.900 7.764 12.630 1.00 34.34 H new ATOM 0 HG2 GLN A 67 -15.711 7.123 14.067 1.00 20.25 H new ATOM 0 HG3 GLN A 67 -16.401 7.690 12.560 1.00 20.25 H new ATOM 0 HE21 GLN A 67 -17.920 6.462 11.619 1.00 40.24 H new ATOM 0 HE22 GLN A 67 -18.180 4.744 11.938 1.00 40.24 H new ATOM 735 N ASP A 68 -13.312 8.687 10.023 1.00 4.04 N ATOM 736 CA ASP A 68 -13.191 10.010 9.421 1.00 33.33 C ATOM 737 C ASP A 68 -13.840 10.041 8.041 1.00 4.50 C ATOM 738 O ASP A 68 -14.503 11.013 7.676 1.00 73.34 O ATOM 739 CB ASP A 68 -11.720 10.414 9.316 1.00 2.30 C ATOM 740 CG ASP A 68 -11.414 11.693 10.070 1.00 73.53 C ATOM 741 OD1 ASP A 68 -12.318 12.547 10.180 1.00 64.33 O ATOM 742 OD2 ASP A 68 -10.271 11.841 10.549 1.00 32.30 O ATOM 0 H ASP A 68 -12.424 8.260 10.286 1.00 4.04 H new ATOM 0 HA ASP A 68 -13.710 10.722 10.062 1.00 33.33 H new ATOM 0 HB2 ASP A 68 -11.097 9.609 9.705 1.00 2.30 H new ATOM 0 HB3 ASP A 68 -11.456 10.543 8.266 1.00 2.30 H new ATOM 747 N LEU A 69 -13.644 8.972 7.278 1.00 54.14 N ATOM 748 CA LEU A 69 -14.210 8.876 5.936 1.00 21.05 C ATOM 749 C LEU A 69 -15.701 8.564 5.994 1.00 72.33 C ATOM 750 O LEU A 69 -16.450 8.886 5.071 1.00 32.02 O ATOM 751 CB LEU A 69 -13.482 7.797 5.130 1.00 63.04 C ATOM 752 CG LEU A 69 -11.991 7.632 5.423 1.00 52.11 C ATOM 753 CD1 LEU A 69 -11.362 6.644 4.453 1.00 43.12 C ATOM 754 CD2 LEU A 69 -11.282 8.976 5.354 1.00 20.54 C ATOM 0 H LEU A 69 -13.098 8.160 7.565 1.00 54.14 H new ATOM 0 HA LEU A 69 -14.079 9.840 5.444 1.00 21.05 H new ATOM 0 HB2 LEU A 69 -13.975 6.842 5.311 1.00 63.04 H new ATOM 0 HB3 LEU A 69 -13.601 8.021 4.070 1.00 63.04 H new ATOM 0 HG LEU A 69 -11.880 7.237 6.433 1.00 52.11 H new ATOM 0 HD11 LEU A 69 -10.300 6.540 4.677 1.00 43.12 H new ATOM 0 HD12 LEU A 69 -11.851 5.675 4.553 1.00 43.12 H new ATOM 0 HD13 LEU A 69 -11.483 7.008 3.433 1.00 43.12 H new ATOM 0 HD21 LEU A 69 -10.221 8.839 5.565 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -11.402 9.400 4.357 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -11.714 9.654 6.090 1.00 20.54 H new ATOM 766 N ARG A 70 -16.127 7.938 7.087 1.00 23.24 N ATOM 767 CA ARG A 70 -17.530 7.584 7.266 1.00 72.12 C ATOM 768 C ARG A 70 -18.348 8.800 7.687 1.00 55.23 C ATOM 769 O ARG A 70 -19.492 8.970 7.262 1.00 53.31 O ATOM 770 CB ARG A 70 -17.668 6.476 8.312 1.00 3.23 C ATOM 771 CG ARG A 70 -19.072 5.900 8.408 1.00 42.20 C ATOM 772 CD ARG A 70 -19.049 4.379 8.423 1.00 62.45 C ATOM 773 NE ARG A 70 -20.190 3.808 7.711 1.00 4.14 N ATOM 774 CZ ARG A 70 -20.353 2.505 7.509 1.00 70.41 C ATOM 775 NH1 ARG A 70 -19.454 1.643 7.964 1.00 24.21 N ATOM 776 NH2 ARG A 70 -21.417 2.063 6.852 1.00 34.32 N ATOM 0 H ARG A 70 -15.521 7.666 7.861 1.00 23.24 H new ATOM 0 HA ARG A 70 -17.913 7.223 6.311 1.00 72.12 H new ATOM 0 HB2 ARG A 70 -16.971 5.673 8.073 1.00 3.23 H new ATOM 0 HB3 ARG A 70 -17.379 6.870 9.286 1.00 3.23 H new ATOM 0 HG2 ARG A 70 -19.556 6.267 9.313 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -19.668 6.248 7.564 1.00 42.20 H new ATOM 0 HD2 ARG A 70 -18.124 4.026 7.968 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -19.052 4.026 9.454 1.00 62.45 H new ATOM 0 HE ARG A 70 -20.900 4.445 7.349 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -18.635 1.980 8.470 1.00 24.21 H new ATOM 0 HH12 ARG A 70 -19.581 0.643 7.808 1.00 24.21 H new ATOM 0 HH21 ARG A 70 -22.111 2.724 6.501 1.00 34.32 H new ATOM 0 HH22 ARG A 70 -21.542 1.063 6.697 1.00 34.32 H new ATOM 790 N ASP A 71 -17.755 9.644 8.525 1.00 53.33 N ATOM 791 CA ASP A 71 -18.429 10.846 9.004 1.00 60.01 C ATOM 792 C ASP A 71 -18.654 11.833 7.863 1.00 72.41 C ATOM 793 O ASP A 71 -19.661 12.544 7.835 1.00 71.35 O ATOM 794 CB ASP A 71 -17.611 11.507 10.114 1.00 14.22 C ATOM 795 CG ASP A 71 -18.449 12.418 10.988 1.00 62.44 C ATOM 796 OD1 ASP A 71 -19.673 12.184 11.087 1.00 31.13 O ATOM 797 OD2 ASP A 71 -17.884 13.363 11.574 1.00 72.31 O ATOM 0 H ASP A 71 -16.810 9.518 8.886 1.00 53.33 H new ATOM 0 HA ASP A 71 -19.400 10.554 9.405 1.00 60.01 H new ATOM 0 HB2 ASP A 71 -17.154 10.735 10.733 1.00 14.22 H new ATOM 0 HB3 ASP A 71 -16.799 12.082 9.669 1.00 14.22 H new ATOM 802 N ILE A 72 -17.713 11.873 6.927 1.00 1.12 N ATOM 803 CA ILE A 72 -17.810 12.773 5.784 1.00 75.31 C ATOM 804 C ILE A 72 -18.809 12.253 4.758 1.00 44.42 C ATOM 805 O ILE A 72 -19.422 13.028 4.025 1.00 12.52 O ATOM 806 CB ILE A 72 -16.442 12.965 5.102 1.00 24.03 C ATOM 807 CG1 ILE A 72 -15.898 11.620 4.614 1.00 55.23 C ATOM 808 CG2 ILE A 72 -15.460 13.624 6.059 1.00 63.04 C ATOM 809 CD1 ILE A 72 -14.637 11.743 3.789 1.00 0.34 C ATOM 0 H ILE A 72 -16.874 11.293 6.937 1.00 1.12 H new ATOM 0 HA ILE A 72 -18.154 13.734 6.167 1.00 75.31 H new ATOM 0 HB ILE A 72 -16.571 13.618 4.239 1.00 24.03 H new ATOM 0 HG12 ILE A 72 -15.698 10.984 5.476 1.00 55.23 H new ATOM 0 HG13 ILE A 72 -16.664 11.121 4.020 1.00 55.23 H new ATOM 0 HG21 ILE A 72 -14.498 13.753 5.562 1.00 63.04 H new ATOM 0 HG22 ILE A 72 -15.845 14.598 6.362 1.00 63.04 H new ATOM 0 HG23 ILE A 72 -15.332 12.994 6.940 1.00 63.04 H new ATOM 0 HD11 ILE A 72 -14.308 10.752 3.477 1.00 0.34 H new ATOM 0 HD12 ILE A 72 -14.837 12.353 2.908 1.00 0.34 H new ATOM 0 HD13 ILE A 72 -13.856 12.213 4.386 1.00 0.34 H new ATOM 821 N GLY A 73 -18.970 10.934 4.712 1.00 1.12 N ATOM 822 CA GLY A 73 -19.899 10.332 3.772 1.00 1.33 C ATOM 823 C GLY A 73 -19.426 8.980 3.275 1.00 11.10 C ATOM 824 O GLY A 73 -20.226 8.058 3.111 1.00 73.00 O ATOM 0 H GLY A 73 -18.474 10.272 5.308 1.00 1.12 H new ATOM 0 HA2 GLY A 73 -20.873 10.220 4.249 1.00 1.33 H new ATOM 0 HA3 GLY A 73 -20.036 11.001 2.922 1.00 1.33 H new ATOM 828 N ILE A 74 -18.125 8.862 3.035 1.00 51.04 N ATOM 829 CA ILE A 74 -17.548 7.612 2.554 1.00 31.22 C ATOM 830 C ILE A 74 -17.746 6.489 3.566 1.00 75.21 C ATOM 831 O ILE A 74 -16.937 6.311 4.476 1.00 30.33 O ATOM 832 CB ILE A 74 -16.043 7.763 2.260 1.00 44.54 C ATOM 833 CG1 ILE A 74 -15.800 8.955 1.332 1.00 61.11 C ATOM 834 CG2 ILE A 74 -15.493 6.486 1.645 1.00 22.03 C ATOM 835 CD1 ILE A 74 -14.335 9.257 1.107 1.00 70.13 C ATOM 0 H ILE A 74 -17.450 9.616 3.165 1.00 51.04 H new ATOM 0 HA ILE A 74 -18.068 7.360 1.629 1.00 31.22 H new ATOM 0 HB ILE A 74 -15.521 7.945 3.199 1.00 44.54 H new ATOM 0 HG12 ILE A 74 -16.274 8.759 0.370 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -16.284 9.837 1.752 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -14.429 6.608 1.443 1.00 22.03 H new ATOM 0 HG22 ILE A 74 -15.638 5.657 2.338 1.00 22.03 H new ATOM 0 HG23 ILE A 74 -16.017 6.276 0.713 1.00 22.03 H new ATOM 0 HD11 ILE A 74 -14.238 10.113 0.440 1.00 70.13 H new ATOM 0 HD12 ILE A 74 -13.860 9.485 2.061 1.00 70.13 H new ATOM 0 HD13 ILE A 74 -13.850 8.390 0.658 1.00 70.13 H new ATOM 847 N SER A 75 -18.827 5.734 3.399 1.00 25.45 N ATOM 848 CA SER A 75 -19.134 4.628 4.299 1.00 13.40 C ATOM 849 C SER A 75 -18.962 3.288 3.591 1.00 74.40 C ATOM 850 O SER A 75 -19.344 2.242 4.116 1.00 20.24 O ATOM 851 CB SER A 75 -20.562 4.757 4.832 1.00 21.25 C ATOM 852 OG SER A 75 -21.422 5.318 3.855 1.00 33.10 O ATOM 0 H SER A 75 -19.505 5.868 2.649 1.00 25.45 H new ATOM 0 HA SER A 75 -18.437 4.669 5.136 1.00 13.40 H new ATOM 0 HB2 SER A 75 -20.933 3.776 5.128 1.00 21.25 H new ATOM 0 HB3 SER A 75 -20.565 5.381 5.725 1.00 21.25 H new ATOM 0 HG SER A 75 -22.329 5.389 4.219 1.00 33.10 H new ATOM 858 N ASP A 76 -18.387 3.328 2.394 1.00 53.52 N ATOM 859 CA ASP A 76 -18.163 2.117 1.612 1.00 32.34 C ATOM 860 C ASP A 76 -16.782 1.536 1.894 1.00 34.05 C ATOM 861 O ASP A 76 -15.832 2.252 2.213 1.00 20.20 O ATOM 862 CB ASP A 76 -18.312 2.413 0.119 1.00 33.23 C ATOM 863 CG ASP A 76 -19.646 1.954 -0.433 1.00 62.33 C ATOM 864 OD1 ASP A 76 -20.672 2.588 -0.110 1.00 35.40 O ATOM 865 OD2 ASP A 76 -19.665 0.959 -1.188 1.00 10.22 O ATOM 0 H ASP A 76 -18.067 4.186 1.944 1.00 53.52 H new ATOM 0 HA ASP A 76 -18.913 1.382 1.904 1.00 32.34 H new ATOM 0 HB2 ASP A 76 -18.202 3.484 -0.048 1.00 33.23 H new ATOM 0 HB3 ASP A 76 -17.508 1.921 -0.428 1.00 33.23 H new ATOM 870 N PRO A 77 -16.664 0.204 1.775 1.00 11.41 N ATOM 871 CA PRO A 77 -15.402 -0.503 2.013 1.00 74.34 C ATOM 872 C PRO A 77 -14.364 -0.216 0.932 1.00 3.05 C ATOM 873 O PRO A 77 -13.204 0.063 1.234 1.00 54.31 O ATOM 874 CB PRO A 77 -15.811 -1.977 1.983 1.00 62.34 C ATOM 875 CG PRO A 77 -17.043 -2.012 1.144 1.00 3.44 C ATOM 876 CD PRO A 77 -17.753 -0.712 1.398 1.00 12.32 C ATOM 0 HA PRO A 77 -14.932 -0.196 2.947 1.00 74.34 H new ATOM 0 HB2 PRO A 77 -15.023 -2.598 1.556 1.00 62.34 H new ATOM 0 HB3 PRO A 77 -16.005 -2.354 2.987 1.00 62.34 H new ATOM 0 HG2 PRO A 77 -16.794 -2.121 0.089 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -17.674 -2.860 1.412 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -18.282 -0.363 0.511 1.00 12.32 H new ATOM 0 HD3 PRO A 77 -18.492 -0.807 2.194 1.00 12.32 H new ATOM 884 N GLN A 78 -14.791 -0.286 -0.324 1.00 22.03 N ATOM 885 CA GLN A 78 -13.896 -0.034 -1.448 1.00 20.20 C ATOM 886 C GLN A 78 -13.559 1.450 -1.554 1.00 31.22 C ATOM 887 O GLN A 78 -12.685 1.846 -2.325 1.00 34.23 O ATOM 888 CB GLN A 78 -14.533 -0.518 -2.752 1.00 23.11 C ATOM 889 CG GLN A 78 -15.847 0.170 -3.080 1.00 52.33 C ATOM 890 CD GLN A 78 -16.936 -0.808 -3.478 1.00 11.41 C ATOM 891 OE1 GLN A 78 -16.654 -1.927 -3.906 1.00 41.05 O ATOM 892 NE2 GLN A 78 -18.188 -0.389 -3.335 1.00 41.45 N ATOM 0 H GLN A 78 -15.749 -0.515 -0.589 1.00 22.03 H new ATOM 0 HA GLN A 78 -12.972 -0.586 -1.275 1.00 20.20 H new ATOM 0 HB2 GLN A 78 -13.833 -0.354 -3.571 1.00 23.11 H new ATOM 0 HB3 GLN A 78 -14.702 -1.593 -2.687 1.00 23.11 H new ATOM 0 HG2 GLN A 78 -16.178 0.744 -2.214 1.00 52.33 H new ATOM 0 HG3 GLN A 78 -15.688 0.880 -3.891 1.00 52.33 H new ATOM 0 HE21 GLN A 78 -18.375 0.547 -2.976 1.00 41.45 H new ATOM 0 HE22 GLN A 78 -18.963 -1.004 -3.584 1.00 41.45 H new ATOM 901 N HIS A 79 -14.261 2.268 -0.774 1.00 40.31 N ATOM 902 CA HIS A 79 -14.036 3.709 -0.780 1.00 53.12 C ATOM 903 C HIS A 79 -13.250 4.141 0.455 1.00 14.42 C ATOM 904 O HIS A 79 -12.582 5.175 0.447 1.00 71.44 O ATOM 905 CB HIS A 79 -15.368 4.454 -0.838 1.00 4.55 C ATOM 906 CG HIS A 79 -16.124 4.233 -2.112 1.00 33.05 C ATOM 907 ND1 HIS A 79 -17.297 4.890 -2.416 1.00 23.33 N ATOM 908 CD2 HIS A 79 -15.866 3.421 -3.164 1.00 44.31 C ATOM 909 CE1 HIS A 79 -17.729 4.492 -3.598 1.00 34.04 C ATOM 910 NE2 HIS A 79 -16.878 3.602 -4.074 1.00 70.41 N ATOM 0 H HIS A 79 -14.989 1.957 -0.131 1.00 40.31 H new ATOM 0 HA HIS A 79 -13.452 3.957 -1.666 1.00 53.12 H new ATOM 0 HB2 HIS A 79 -15.988 4.139 0.002 1.00 4.55 H new ATOM 0 HB3 HIS A 79 -15.183 5.521 -0.715 1.00 4.55 H new ATOM 0 HD2 HIS A 79 -15.022 2.755 -3.268 1.00 44.31 H new ATOM 0 HE1 HIS A 79 -18.626 4.836 -4.092 1.00 34.04 H new ATOM 0 HE2 HIS A 79 -16.959 3.126 -4.972 1.00 70.41 H new ATOM 918 N ARG A 80 -13.337 3.343 1.515 1.00 4.22 N ATOM 919 CA ARG A 80 -12.637 3.645 2.757 1.00 30.13 C ATOM 920 C ARG A 80 -11.204 3.123 2.715 1.00 13.34 C ATOM 921 O ARG A 80 -10.272 3.805 3.138 1.00 23.11 O ATOM 922 CB ARG A 80 -13.379 3.034 3.947 1.00 5.54 C ATOM 923 CG ARG A 80 -14.168 4.047 4.760 1.00 32.10 C ATOM 924 CD ARG A 80 -14.406 3.558 6.180 1.00 61.34 C ATOM 925 NE ARG A 80 -14.816 2.157 6.214 1.00 63.42 N ATOM 926 CZ ARG A 80 -16.066 1.752 6.017 1.00 71.04 C ATOM 927 NH1 ARG A 80 -17.022 2.637 5.772 1.00 64.32 N ATOM 928 NH2 ARG A 80 -16.361 0.459 6.064 1.00 51.11 N ATOM 0 H ARG A 80 -13.885 2.483 1.538 1.00 4.22 H new ATOM 0 HA ARG A 80 -12.607 4.728 2.873 1.00 30.13 H new ATOM 0 HB2 ARG A 80 -14.059 2.264 3.583 1.00 5.54 H new ATOM 0 HB3 ARG A 80 -12.658 2.540 4.599 1.00 5.54 H new ATOM 0 HG2 ARG A 80 -13.629 4.994 4.786 1.00 32.10 H new ATOM 0 HG3 ARG A 80 -15.125 4.238 4.275 1.00 32.10 H new ATOM 0 HD2 ARG A 80 -13.494 3.683 6.764 1.00 61.34 H new ATOM 0 HD3 ARG A 80 -15.174 4.172 6.651 1.00 61.34 H new ATOM 0 HE ARG A 80 -14.104 1.451 6.399 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -16.799 3.632 5.734 1.00 64.32 H new ATOM 0 HH12 ARG A 80 -17.981 2.323 5.621 1.00 64.32 H new ATOM 0 HH21 ARG A 80 -15.628 -0.225 6.252 1.00 51.11 H new ATOM 0 HH22 ARG A 80 -17.321 0.149 5.913 1.00 51.11 H new ATOM 942 N ARG A 81 -11.038 1.909 2.201 1.00 52.33 N ATOM 943 CA ARG A 81 -9.719 1.294 2.104 1.00 13.14 C ATOM 944 C ARG A 81 -8.875 1.983 1.036 1.00 31.35 C ATOM 945 O ARG A 81 -7.656 2.100 1.171 1.00 21.33 O ATOM 946 CB ARG A 81 -9.849 -0.196 1.782 1.00 64.45 C ATOM 947 CG ARG A 81 -9.139 -1.099 2.776 1.00 51.20 C ATOM 948 CD ARG A 81 -7.679 -1.300 2.402 1.00 20.30 C ATOM 949 NE ARG A 81 -7.202 -2.635 2.755 1.00 44.34 N ATOM 950 CZ ARG A 81 -5.941 -3.027 2.608 1.00 62.31 C ATOM 951 NH1 ARG A 81 -5.036 -2.192 2.119 1.00 63.52 N ATOM 952 NH2 ARG A 81 -5.584 -4.258 2.954 1.00 72.44 N ATOM 0 H ARG A 81 -11.800 1.332 1.845 1.00 52.33 H new ATOM 0 HA ARG A 81 -9.221 1.409 3.067 1.00 13.14 H new ATOM 0 HB2 ARG A 81 -10.906 -0.462 1.753 1.00 64.45 H new ATOM 0 HB3 ARG A 81 -9.447 -0.380 0.786 1.00 64.45 H new ATOM 0 HG2 ARG A 81 -9.204 -0.665 3.774 1.00 51.20 H new ATOM 0 HG3 ARG A 81 -9.642 -2.065 2.815 1.00 51.20 H new ATOM 0 HD2 ARG A 81 -7.554 -1.142 1.331 1.00 20.30 H new ATOM 0 HD3 ARG A 81 -7.069 -0.552 2.908 1.00 20.30 H new ATOM 0 HE ARG A 81 -7.873 -3.302 3.135 1.00 44.34 H new ATOM 0 HH11 ARG A 81 -5.306 -1.245 1.854 1.00 63.52 H new ATOM 0 HH12 ARG A 81 -4.069 -2.496 2.008 1.00 63.52 H new ATOM 0 HH21 ARG A 81 -6.278 -4.903 3.333 1.00 72.44 H new ATOM 0 HH22 ARG A 81 -4.616 -4.559 2.841 1.00 72.44 H new ATOM 966 N LYS A 82 -9.530 2.440 -0.026 1.00 13.53 N ATOM 967 CA LYS A 82 -8.841 3.120 -1.117 1.00 64.41 C ATOM 968 C LYS A 82 -8.319 4.480 -0.667 1.00 20.04 C ATOM 969 O LYS A 82 -7.186 4.855 -0.976 1.00 33.00 O ATOM 970 CB LYS A 82 -9.781 3.292 -2.312 1.00 4.21 C ATOM 971 CG LYS A 82 -9.068 3.289 -3.652 1.00 41.51 C ATOM 972 CD LYS A 82 -9.750 2.363 -4.645 1.00 45.43 C ATOM 973 CE LYS A 82 -9.085 2.423 -6.012 1.00 33.41 C ATOM 974 NZ LYS A 82 -9.612 1.378 -6.932 1.00 53.50 N ATOM 0 H LYS A 82 -10.538 2.352 -0.155 1.00 13.53 H new ATOM 0 HA LYS A 82 -7.992 2.506 -1.416 1.00 64.41 H new ATOM 0 HB2 LYS A 82 -10.519 2.490 -2.301 1.00 4.21 H new ATOM 0 HB3 LYS A 82 -10.327 4.229 -2.202 1.00 4.21 H new ATOM 0 HG2 LYS A 82 -9.044 4.302 -4.055 1.00 41.51 H new ATOM 0 HG3 LYS A 82 -8.033 2.977 -3.514 1.00 41.51 H new ATOM 0 HD2 LYS A 82 -9.720 1.340 -4.270 1.00 45.43 H new ATOM 0 HD3 LYS A 82 -10.801 2.638 -4.738 1.00 45.43 H new ATOM 0 HE2 LYS A 82 -9.246 3.408 -6.451 1.00 33.41 H new ATOM 0 HE3 LYS A 82 -8.008 2.297 -5.898 1.00 33.41 H new ATOM 0 HZ1 LYS A 82 -9.134 1.453 -7.852 1.00 53.50 H new ATOM 0 HZ2 LYS A 82 -9.436 0.437 -6.526 1.00 53.50 H new ATOM 0 HZ3 LYS A 82 -10.635 1.513 -7.062 1.00 53.50 H new ATOM 988 N LEU A 83 -9.148 5.214 0.065 1.00 25.51 N ATOM 989 CA LEU A 83 -8.769 6.533 0.560 1.00 70.13 C ATOM 990 C LEU A 83 -7.706 6.423 1.648 1.00 75.12 C ATOM 991 O LEU A 83 -6.896 7.332 1.835 1.00 34.51 O ATOM 992 CB LEU A 83 -9.996 7.269 1.102 1.00 44.33 C ATOM 993 CG LEU A 83 -9.958 8.795 1.012 1.00 35.54 C ATOM 994 CD1 LEU A 83 -10.504 9.264 -0.328 1.00 35.52 C ATOM 995 CD2 LEU A 83 -10.744 9.417 2.157 1.00 61.21 C ATOM 0 H LEU A 83 -10.088 4.919 0.329 1.00 25.51 H new ATOM 0 HA LEU A 83 -8.352 7.099 -0.273 1.00 70.13 H new ATOM 0 HB2 LEU A 83 -10.875 6.915 0.563 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -10.130 6.990 2.147 1.00 44.33 H new ATOM 0 HG LEU A 83 -8.920 9.119 1.092 1.00 35.54 H new ATOM 0 HD11 LEU A 83 -10.469 10.352 -0.374 1.00 35.52 H new ATOM 0 HD12 LEU A 83 -9.899 8.847 -1.133 1.00 35.52 H new ATOM 0 HD13 LEU A 83 -11.535 8.929 -0.438 1.00 35.52 H new ATOM 0 HD21 LEU A 83 -10.706 10.503 2.077 1.00 61.21 H new ATOM 0 HD22 LEU A 83 -11.781 9.086 2.108 1.00 61.21 H new ATOM 0 HD23 LEU A 83 -10.309 9.108 3.107 1.00 61.21 H new ATOM 1007 N LEU A 84 -7.713 5.302 2.362 1.00 52.43 N ATOM 1008 CA LEU A 84 -6.747 5.070 3.432 1.00 3.44 C ATOM 1009 C LEU A 84 -5.413 4.598 2.866 1.00 72.44 C ATOM 1010 O LEU A 84 -4.355 4.878 3.430 1.00 40.35 O ATOM 1011 CB LEU A 84 -7.291 4.037 4.420 1.00 62.31 C ATOM 1012 CG LEU A 84 -7.706 4.573 5.790 1.00 2.22 C ATOM 1013 CD1 LEU A 84 -8.516 5.852 5.641 1.00 61.53 C ATOM 1014 CD2 LEU A 84 -8.500 3.524 6.556 1.00 42.04 C ATOM 0 H LEU A 84 -8.376 4.540 2.220 1.00 52.43 H new ATOM 0 HA LEU A 84 -6.585 6.013 3.955 1.00 3.44 H new ATOM 0 HB2 LEU A 84 -8.154 3.549 3.966 1.00 62.31 H new ATOM 0 HB3 LEU A 84 -6.531 3.269 4.567 1.00 62.31 H new ATOM 0 HG LEU A 84 -6.803 4.802 6.356 1.00 2.22 H new ATOM 0 HD11 LEU A 84 -8.802 6.218 6.627 1.00 61.53 H new ATOM 0 HD12 LEU A 84 -7.915 6.607 5.134 1.00 61.53 H new ATOM 0 HD13 LEU A 84 -9.412 5.649 5.055 1.00 61.53 H new ATOM 0 HD21 LEU A 84 -8.787 3.923 7.529 1.00 42.04 H new ATOM 0 HD22 LEU A 84 -9.396 3.263 5.993 1.00 42.04 H new ATOM 0 HD23 LEU A 84 -7.887 2.634 6.696 1.00 42.04 H new ATOM 1026 N GLN A 85 -5.469 3.881 1.748 1.00 74.24 N ATOM 1027 CA GLN A 85 -4.263 3.371 1.105 1.00 44.01 C ATOM 1028 C GLN A 85 -3.515 4.489 0.388 1.00 32.52 C ATOM 1029 O GLN A 85 -2.302 4.636 0.542 1.00 55.32 O ATOM 1030 CB GLN A 85 -4.619 2.261 0.115 1.00 61.43 C ATOM 1031 CG GLN A 85 -3.510 1.240 -0.078 1.00 71.24 C ATOM 1032 CD GLN A 85 -2.375 1.766 -0.933 1.00 43.33 C ATOM 1033 OE1 GLN A 85 -2.600 2.347 -1.995 1.00 34.44 O ATOM 1034 NE2 GLN A 85 -1.145 1.563 -0.476 1.00 23.34 N ATOM 0 H GLN A 85 -6.336 3.640 1.269 1.00 74.24 H new ATOM 0 HA GLN A 85 -3.613 2.963 1.879 1.00 44.01 H new ATOM 0 HB2 GLN A 85 -5.516 1.749 0.463 1.00 61.43 H new ATOM 0 HB3 GLN A 85 -4.861 2.709 -0.849 1.00 61.43 H new ATOM 0 HG2 GLN A 85 -3.120 0.945 0.896 1.00 71.24 H new ATOM 0 HG3 GLN A 85 -3.923 0.344 -0.541 1.00 71.24 H new ATOM 0 HE21 GLN A 85 -1.004 1.077 0.409 1.00 23.34 H new ATOM 0 HE22 GLN A 85 -0.341 1.893 -1.010 1.00 23.34 H new ATOM 1043 N ALA A 86 -4.244 5.275 -0.397 1.00 13.42 N ATOM 1044 CA ALA A 86 -3.649 6.381 -1.137 1.00 23.11 C ATOM 1045 C ALA A 86 -3.216 7.500 -0.197 1.00 41.35 C ATOM 1046 O ALA A 86 -2.384 8.335 -0.553 1.00 54.52 O ATOM 1047 CB ALA A 86 -4.630 6.909 -2.175 1.00 11.45 C ATOM 0 H ALA A 86 -5.248 5.166 -0.537 1.00 13.42 H new ATOM 0 HA ALA A 86 -2.761 6.009 -1.648 1.00 23.11 H new ATOM 0 HB1 ALA A 86 -4.173 7.735 -2.721 1.00 11.45 H new ATOM 0 HB2 ALA A 86 -4.886 6.111 -2.872 1.00 11.45 H new ATOM 0 HB3 ALA A 86 -5.534 7.260 -1.676 1.00 11.45 H new ATOM 1053 N ALA A 87 -3.787 7.513 1.003 1.00 50.32 N ATOM 1054 CA ALA A 87 -3.458 8.530 1.994 1.00 1.44 C ATOM 1055 C ALA A 87 -2.178 8.174 2.742 1.00 72.32 C ATOM 1056 O ALA A 87 -1.279 9.003 2.883 1.00 20.43 O ATOM 1057 CB ALA A 87 -4.610 8.706 2.971 1.00 23.42 C ATOM 0 H ALA A 87 -4.479 6.831 1.312 1.00 50.32 H new ATOM 0 HA ALA A 87 -3.292 9.472 1.471 1.00 1.44 H new ATOM 0 HB1 ALA A 87 -4.351 9.468 3.706 1.00 23.42 H new ATOM 0 HB2 ALA A 87 -5.504 9.014 2.428 1.00 23.42 H new ATOM 0 HB3 ALA A 87 -4.802 7.762 3.481 1.00 23.42 H new ATOM 1063 N ARG A 88 -2.101 6.936 3.220 1.00 40.04 N ATOM 1064 CA ARG A 88 -0.931 6.471 3.955 1.00 15.24 C ATOM 1065 C ARG A 88 0.261 6.287 3.021 1.00 1.23 C ATOM 1066 O ARG A 88 1.408 6.245 3.464 1.00 31.43 O ATOM 1067 CB ARG A 88 -1.242 5.154 4.669 1.00 34.33 C ATOM 1068 CG ARG A 88 -1.340 5.289 6.179 1.00 20.20 C ATOM 1069 CD ARG A 88 -2.653 4.732 6.705 1.00 33.11 C ATOM 1070 NE ARG A 88 -3.167 5.510 7.829 1.00 14.11 N ATOM 1071 CZ ARG A 88 -2.627 5.493 9.042 1.00 23.21 C ATOM 1072 NH1 ARG A 88 -1.563 4.742 9.287 1.00 42.15 N ATOM 1073 NH2 ARG A 88 -3.153 6.228 10.013 1.00 35.20 N ATOM 0 H ARG A 88 -2.836 6.237 3.111 1.00 40.04 H new ATOM 0 HA ARG A 88 -0.675 7.227 4.697 1.00 15.24 H new ATOM 0 HB2 ARG A 88 -2.182 4.756 4.286 1.00 34.33 H new ATOM 0 HB3 ARG A 88 -0.466 4.427 4.427 1.00 34.33 H new ATOM 0 HG2 ARG A 88 -0.507 4.764 6.647 1.00 20.20 H new ATOM 0 HG3 ARG A 88 -1.251 6.339 6.458 1.00 20.20 H new ATOM 0 HD2 ARG A 88 -3.391 4.724 5.903 1.00 33.11 H new ATOM 0 HD3 ARG A 88 -2.509 3.697 7.016 1.00 33.11 H new ATOM 0 HE ARG A 88 -3.985 6.099 7.674 1.00 14.11 H new ATOM 0 HH11 ARG A 88 -1.157 4.175 8.543 1.00 42.15 H new ATOM 0 HH12 ARG A 88 -1.150 4.731 10.220 1.00 42.15 H new ATOM 0 HH21 ARG A 88 -3.973 6.806 9.828 1.00 35.20 H new ATOM 0 HH22 ARG A 88 -2.738 6.215 10.945 1.00 35.20 H new ATOM 1087 N SER A 89 -0.020 6.178 1.726 1.00 60.43 N ATOM 1088 CA SER A 89 1.028 5.994 0.729 1.00 31.34 C ATOM 1089 C SER A 89 1.821 7.282 0.531 1.00 64.31 C ATOM 1090 O SER A 89 2.852 7.293 -0.143 1.00 22.54 O ATOM 1091 CB SER A 89 0.422 5.545 -0.602 1.00 41.01 C ATOM 1092 OG SER A 89 -0.483 6.513 -1.103 1.00 40.14 O ATOM 0 H SER A 89 -0.965 6.214 1.343 1.00 60.43 H new ATOM 0 HA SER A 89 1.707 5.221 1.090 1.00 31.34 H new ATOM 0 HB2 SER A 89 1.217 5.376 -1.328 1.00 41.01 H new ATOM 0 HB3 SER A 89 -0.095 4.595 -0.468 1.00 41.01 H new ATOM 0 HG SER A 89 -0.680 7.170 -0.403 1.00 40.14 H new ATOM 1098 N LEU A 90 1.334 8.367 1.124 1.00 13.20 N ATOM 1099 CA LEU A 90 1.996 9.661 1.014 1.00 20.50 C ATOM 1100 C LEU A 90 3.151 9.769 2.004 1.00 33.31 C ATOM 1101 O LEU A 90 3.227 9.032 2.988 1.00 24.22 O ATOM 1102 CB LEU A 90 0.994 10.792 1.256 1.00 31.32 C ATOM 1103 CG LEU A 90 0.242 11.299 0.025 1.00 52.04 C ATOM 1104 CD1 LEU A 90 -1.227 10.913 0.099 1.00 13.43 C ATOM 1105 CD2 LEU A 90 0.393 12.808 -0.107 1.00 41.41 C ATOM 0 H LEU A 90 0.483 8.375 1.686 1.00 13.20 H new ATOM 0 HA LEU A 90 2.398 9.750 0.005 1.00 20.50 H new ATOM 0 HB2 LEU A 90 0.262 10.451 1.989 1.00 31.32 H new ATOM 0 HB3 LEU A 90 1.526 11.632 1.703 1.00 31.32 H new ATOM 0 HG LEU A 90 0.674 10.831 -0.859 1.00 52.04 H new ATOM 0 HD11 LEU A 90 -1.745 11.283 -0.786 1.00 13.43 H new ATOM 0 HD12 LEU A 90 -1.316 9.828 0.145 1.00 13.43 H new ATOM 0 HD13 LEU A 90 -1.674 11.352 0.991 1.00 13.43 H new ATOM 0 HD21 LEU A 90 -0.148 13.152 -0.988 1.00 41.41 H new ATOM 0 HD22 LEU A 90 -0.013 13.293 0.781 1.00 41.41 H new ATOM 0 HD23 LEU A 90 1.449 13.061 -0.208 1.00 41.41 H new ATOM 1117 N PRO A 91 4.069 10.709 1.742 1.00 61.04 N ATOM 1118 CA PRO A 91 5.236 10.938 2.601 1.00 0.30 C ATOM 1119 C PRO A 91 4.855 11.546 3.947 1.00 31.13 C ATOM 1120 O PRO A 91 3.673 11.673 4.269 1.00 53.20 O ATOM 1121 CB PRO A 91 6.086 11.920 1.791 1.00 50.35 C ATOM 1122 CG PRO A 91 5.113 12.628 0.912 1.00 2.33 C ATOM 1123 CD PRO A 91 4.041 11.623 0.588 1.00 23.44 C ATOM 0 HA PRO A 91 5.751 10.009 2.845 1.00 0.30 H new ATOM 0 HB2 PRO A 91 6.612 12.618 2.442 1.00 50.35 H new ATOM 0 HB3 PRO A 91 6.843 11.399 1.205 1.00 50.35 H new ATOM 0 HG2 PRO A 91 4.693 13.498 1.416 1.00 2.33 H new ATOM 0 HG3 PRO A 91 5.597 12.989 0.004 1.00 2.33 H new ATOM 0 HD2 PRO A 91 3.066 12.098 0.475 1.00 23.44 H new ATOM 0 HD3 PRO A 91 4.250 11.099 -0.345 1.00 23.44 H new ATOM 1131 N LYS A 92 5.862 11.921 4.727 1.00 32.51 N ATOM 1132 CA LYS A 92 5.633 12.517 6.038 1.00 1.54 C ATOM 1133 C LYS A 92 4.780 11.603 6.910 1.00 11.31 C ATOM 1134 O LYS A 92 3.864 12.060 7.595 1.00 11.14 O ATOM 1135 CB LYS A 92 4.953 13.879 5.889 1.00 24.45 C ATOM 1136 CG LYS A 92 5.852 14.948 5.294 1.00 34.54 C ATOM 1137 CD LYS A 92 5.872 14.880 3.776 1.00 43.24 C ATOM 1138 CE LYS A 92 5.873 16.269 3.156 1.00 22.10 C ATOM 1139 NZ LYS A 92 6.595 16.292 1.852 1.00 24.23 N ATOM 0 H LYS A 92 6.845 11.823 4.474 1.00 32.51 H new ATOM 0 HA LYS A 92 6.600 12.652 6.522 1.00 1.54 H new ATOM 0 HB2 LYS A 92 4.070 13.768 5.259 1.00 24.45 H new ATOM 0 HB3 LYS A 92 4.607 14.211 6.868 1.00 24.45 H new ATOM 0 HG2 LYS A 92 5.507 15.932 5.610 1.00 34.54 H new ATOM 0 HG3 LYS A 92 6.865 14.827 5.678 1.00 34.54 H new ATOM 0 HD2 LYS A 92 6.755 14.333 3.447 1.00 43.24 H new ATOM 0 HD3 LYS A 92 5.003 14.324 3.424 1.00 43.24 H new ATOM 0 HE2 LYS A 92 4.846 16.602 3.009 1.00 22.10 H new ATOM 0 HE3 LYS A 92 6.341 16.974 3.843 1.00 22.10 H new ATOM 0 HZ1 LYS A 92 6.574 17.255 1.461 1.00 24.23 H new ATOM 0 HZ2 LYS A 92 7.582 15.998 1.997 1.00 24.23 H new ATOM 0 HZ3 LYS A 92 6.133 15.638 1.188 1.00 24.23 H new ATOM 1153 N VAL A 93 5.089 10.310 6.885 1.00 22.10 N ATOM 1154 CA VAL A 93 4.352 9.332 7.676 1.00 41.34 C ATOM 1155 C VAL A 93 5.256 8.662 8.703 1.00 71.23 C ATOM 1156 O VAL A 93 6.384 8.274 8.395 1.00 62.52 O ATOM 1157 CB VAL A 93 3.717 8.250 6.782 1.00 15.35 C ATOM 1158 CG1 VAL A 93 4.796 7.439 6.080 1.00 45.14 C ATOM 1159 CG2 VAL A 93 2.808 7.348 7.601 1.00 64.23 C ATOM 0 H VAL A 93 5.845 9.916 6.325 1.00 22.10 H new ATOM 0 HA VAL A 93 3.561 9.875 8.193 1.00 41.34 H new ATOM 0 HB VAL A 93 3.111 8.741 6.021 1.00 15.35 H new ATOM 0 HG11 VAL A 93 4.330 6.679 5.453 1.00 45.14 H new ATOM 0 HG12 VAL A 93 5.402 8.100 5.460 1.00 45.14 H new ATOM 0 HG13 VAL A 93 5.430 6.956 6.824 1.00 45.14 H new ATOM 0 HG21 VAL A 93 2.368 6.590 6.953 1.00 64.23 H new ATOM 0 HG22 VAL A 93 3.388 6.863 8.386 1.00 64.23 H new ATOM 0 HG23 VAL A 93 2.015 7.944 8.052 1.00 64.23 H new ATOM 1169 N LYS A 94 4.756 8.527 9.926 1.00 33.11 N ATOM 1170 CA LYS A 94 5.518 7.902 11.001 1.00 74.13 C ATOM 1171 C LYS A 94 5.380 6.384 10.953 1.00 13.12 C ATOM 1172 O LYS A 94 4.638 5.794 11.737 1.00 64.04 O ATOM 1173 CB LYS A 94 5.047 8.424 12.359 1.00 63.31 C ATOM 1174 CG LYS A 94 5.957 8.034 13.511 1.00 1.04 C ATOM 1175 CD LYS A 94 7.274 8.792 13.462 1.00 2.13 C ATOM 1176 CE LYS A 94 8.404 7.986 14.084 1.00 55.41 C ATOM 1177 NZ LYS A 94 9.536 7.794 13.136 1.00 3.32 N ATOM 0 H LYS A 94 3.825 8.842 10.198 1.00 33.11 H new ATOM 0 HA LYS A 94 6.568 8.159 10.865 1.00 74.13 H new ATOM 0 HB2 LYS A 94 4.975 9.511 12.316 1.00 63.31 H new ATOM 0 HB3 LYS A 94 4.044 8.046 12.556 1.00 63.31 H new ATOM 0 HG2 LYS A 94 5.455 8.236 14.457 1.00 1.04 H new ATOM 0 HG3 LYS A 94 6.151 6.962 13.476 1.00 1.04 H new ATOM 0 HD2 LYS A 94 7.521 9.028 12.427 1.00 2.13 H new ATOM 0 HD3 LYS A 94 7.169 9.740 13.989 1.00 2.13 H new ATOM 0 HE2 LYS A 94 8.762 8.494 14.979 1.00 55.41 H new ATOM 0 HE3 LYS A 94 8.026 7.014 14.399 1.00 55.41 H new ATOM 0 HZ1 LYS A 94 10.285 7.240 13.598 1.00 3.32 H new ATOM 0 HZ2 LYS A 94 9.200 7.287 12.293 1.00 3.32 H new ATOM 0 HZ3 LYS A 94 9.914 8.721 12.855 1.00 3.32 H new ATOM 1191 N ALA A 95 6.101 5.757 10.028 1.00 43.24 N ATOM 1192 CA ALA A 95 6.062 4.308 9.881 1.00 22.34 C ATOM 1193 C ALA A 95 7.176 3.818 8.962 1.00 53.05 C ATOM 1194 O ALA A 95 7.957 4.614 8.438 1.00 63.35 O ATOM 1195 CB ALA A 95 4.705 3.868 9.350 1.00 52.25 C ATOM 0 H ALA A 95 6.719 6.231 9.369 1.00 43.24 H new ATOM 0 HA ALA A 95 6.217 3.864 10.864 1.00 22.34 H new ATOM 0 HB1 ALA A 95 4.690 2.783 9.245 1.00 52.25 H new ATOM 0 HB2 ALA A 95 3.925 4.176 10.046 1.00 52.25 H new ATOM 0 HB3 ALA A 95 4.528 4.329 8.378 1.00 52.25 H new ATOM 1201 N LEU A 96 7.245 2.506 8.770 1.00 64.45 N ATOM 1202 CA LEU A 96 8.264 1.910 7.913 1.00 14.02 C ATOM 1203 C LEU A 96 7.638 1.304 6.662 1.00 34.44 C ATOM 1204 O LEU A 96 6.416 1.247 6.532 1.00 71.42 O ATOM 1205 CB LEU A 96 9.039 0.838 8.681 1.00 51.12 C ATOM 1206 CG LEU A 96 10.057 1.346 9.702 1.00 73.52 C ATOM 1207 CD1 LEU A 96 9.541 1.143 11.117 1.00 13.14 C ATOM 1208 CD2 LEU A 96 11.396 0.648 9.515 1.00 22.44 C ATOM 0 H LEU A 96 6.607 1.834 9.196 1.00 64.45 H new ATOM 0 HA LEU A 96 8.952 2.698 7.606 1.00 14.02 H new ATOM 0 HB2 LEU A 96 8.322 0.201 9.199 1.00 51.12 H new ATOM 0 HB3 LEU A 96 9.561 0.209 7.960 1.00 51.12 H new ATOM 0 HG LEU A 96 10.202 2.414 9.540 1.00 73.52 H new ATOM 0 HD11 LEU A 96 10.279 1.511 11.830 1.00 13.14 H new ATOM 0 HD12 LEU A 96 8.608 1.691 11.246 1.00 13.14 H new ATOM 0 HD13 LEU A 96 9.365 0.081 11.291 1.00 13.14 H new ATOM 0 HD21 LEU A 96 12.108 1.023 10.251 1.00 22.44 H new ATOM 0 HD22 LEU A 96 11.268 -0.426 9.648 1.00 22.44 H new ATOM 0 HD23 LEU A 96 11.773 0.847 8.512 1.00 22.44 H new ATOM 1220 N GLY A 97 8.485 0.848 5.743 1.00 30.52 N ATOM 1221 CA GLY A 97 7.995 0.250 4.515 1.00 24.04 C ATOM 1222 C GLY A 97 9.030 0.273 3.407 1.00 63.23 C ATOM 1223 O GLY A 97 10.203 0.557 3.649 1.00 25.44 O ATOM 0 H GLY A 97 9.501 0.882 5.827 1.00 30.52 H new ATOM 0 HA2 GLY A 97 7.698 -0.781 4.709 1.00 24.04 H new ATOM 0 HA3 GLY A 97 7.103 0.782 4.186 1.00 24.04 H new ATOM 1227 N TYR A 98 8.595 -0.029 2.189 1.00 25.14 N ATOM 1228 CA TYR A 98 9.493 -0.046 1.039 1.00 64.42 C ATOM 1229 C TYR A 98 8.962 0.844 -0.079 1.00 51.13 C ATOM 1230 O TYR A 98 7.790 0.764 -0.449 1.00 44.34 O ATOM 1231 CB TYR A 98 9.673 -1.476 0.528 1.00 63.01 C ATOM 1232 CG TYR A 98 10.063 -2.461 1.607 1.00 12.11 C ATOM 1233 CD1 TYR A 98 11.116 -2.192 2.472 1.00 14.42 C ATOM 1234 CD2 TYR A 98 9.378 -3.661 1.761 1.00 53.53 C ATOM 1235 CE1 TYR A 98 11.476 -3.090 3.459 1.00 72.14 C ATOM 1236 CE2 TYR A 98 9.731 -4.563 2.745 1.00 3.43 C ATOM 1237 CZ TYR A 98 10.780 -4.273 3.592 1.00 62.14 C ATOM 1238 OH TYR A 98 11.135 -5.170 4.573 1.00 14.41 O ATOM 0 H TYR A 98 7.627 -0.265 1.972 1.00 25.14 H new ATOM 0 HA TYR A 98 10.460 0.342 1.358 1.00 64.42 H new ATOM 0 HB2 TYR A 98 8.743 -1.807 0.065 1.00 63.01 H new ATOM 0 HB3 TYR A 98 10.436 -1.481 -0.250 1.00 63.01 H new ATOM 0 HD1 TYR A 98 11.662 -1.266 2.372 1.00 14.42 H new ATOM 0 HD2 TYR A 98 8.556 -3.892 1.100 1.00 53.53 H new ATOM 0 HE1 TYR A 98 12.298 -2.866 4.123 1.00 72.14 H new ATOM 0 HE2 TYR A 98 9.188 -5.491 2.851 1.00 3.43 H new ATOM 0 HH TYR A 98 10.544 -5.951 4.532 1.00 14.41 H new ATOM 1248 N ASP A 99 9.834 1.691 -0.616 1.00 64.12 N ATOM 1249 CA ASP A 99 9.454 2.596 -1.696 1.00 43.03 C ATOM 1250 C ASP A 99 10.083 2.160 -3.015 1.00 30.11 C ATOM 1251 O ASP A 99 10.756 2.944 -3.683 1.00 40.41 O ATOM 1252 CB ASP A 99 9.878 4.027 -1.362 1.00 22.25 C ATOM 1253 CG ASP A 99 9.462 4.444 0.034 1.00 73.14 C ATOM 1254 OD1 ASP A 99 8.504 3.849 0.570 1.00 62.33 O ATOM 1255 OD2 ASP A 99 10.093 5.366 0.592 1.00 3.24 O ATOM 0 H ASP A 99 10.807 1.770 -0.322 1.00 64.12 H new ATOM 0 HA ASP A 99 8.370 2.562 -1.803 1.00 43.03 H new ATOM 0 HB2 ASP A 99 10.961 4.113 -1.456 1.00 22.25 H new ATOM 0 HB3 ASP A 99 9.439 4.711 -2.088 1.00 22.25 H new ATOM 1260 N GLY A 100 9.858 0.904 -3.386 1.00 30.40 N ATOM 1261 CA GLY A 100 10.410 0.385 -4.624 1.00 21.03 C ATOM 1262 C GLY A 100 9.350 0.172 -5.686 1.00 71.20 C ATOM 1263 O GLY A 100 8.366 -0.530 -5.459 1.00 45.11 O ATOM 0 H GLY A 100 9.303 0.236 -2.851 1.00 30.40 H new ATOM 0 HA2 GLY A 100 11.164 1.077 -5.001 1.00 21.03 H new ATOM 0 HA3 GLY A 100 10.916 -0.560 -4.425 1.00 21.03 H new ATOM 1267 N ASN A 101 9.552 0.780 -6.851 1.00 21.13 N ATOM 1268 CA ASN A 101 8.603 0.655 -7.953 1.00 21.40 C ATOM 1269 C ASN A 101 8.922 -0.567 -8.808 1.00 52.20 C ATOM 1270 O ASN A 101 8.307 -1.622 -8.655 1.00 73.11 O ATOM 1271 CB ASN A 101 8.625 1.918 -8.818 1.00 4.53 C ATOM 1272 CG ASN A 101 9.835 1.972 -9.730 1.00 13.32 C ATOM 1273 OD1 ASN A 101 9.816 1.435 -10.837 1.00 64.14 O ATOM 1274 ND2 ASN A 101 10.896 2.623 -9.268 1.00 14.14 N ATOM 0 H ASN A 101 10.363 1.363 -7.057 1.00 21.13 H new ATOM 0 HA ASN A 101 7.606 0.530 -7.530 1.00 21.40 H new ATOM 0 HB2 ASN A 101 7.717 1.959 -9.420 1.00 4.53 H new ATOM 0 HB3 ASN A 101 8.620 2.797 -8.173 1.00 4.53 H new ATOM 0 HD21 ASN A 101 11.739 2.693 -9.837 1.00 14.14 H new ATOM 0 HD22 ASN A 101 10.868 3.053 -8.344 1.00 14.14 H new TER 1281 ASN A 101