USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 643 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 19 ASN : amide:sc= -3.2! K(o=-4.9!,f=-1.3) USER MOD Set 1.2: A 37 GLN : amide:sc= -1.74 K(o=-4.9,f=-1.3) USER MOD Set 2.1: A 8 CYS SG : rot -145:sc= 0.108 USER MOD Set 2.2: A 15 SER OG : rot 23:sc= 0.408 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.125 (180deg=-0.74) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0.3 (180deg=0.3) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.0017) USER MOD Single : A 25 MET CE :methyl 158:sc= -3.35 (180deg=-4.77) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=0.0045) USER MOD Single : A 30 ASN : amide:sc= -0.742 X(o=-0.74,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 0.0418 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -96:sc= 0.596 USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.13 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.403 K(o=0.4,f=-2.4!) USER MOD Single : A 72 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.6!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= -0.0267 (180deg=-0.0402) USER MOD Single : A 84 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.0048) USER MOD Single : A 85 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 88 THR OG1 : rot 59:sc= 1.07 USER MOD Single : A 91 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.1) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.712 0.071 -0.026 1.00 70.34 N ATOM 2 CA MET A 1 1.765 0.173 -1.030 1.00 1.01 C ATOM 3 C MET A 1 2.593 -1.107 -1.082 1.00 31.12 C ATOM 4 O MET A 1 2.999 -1.639 -0.048 1.00 53.21 O ATOM 5 CB MET A 1 2.671 1.368 -0.729 1.00 44.41 C ATOM 6 CG MET A 1 3.409 1.894 -1.950 1.00 11.32 C ATOM 7 SD MET A 1 2.346 2.857 -3.042 1.00 53.50 S ATOM 8 CE MET A 1 2.002 4.281 -2.011 1.00 43.31 C ATOM 0 H1 MET A 1 0.162 0.953 -0.009 1.00 70.34 H new ATOM 0 H2 MET A 1 0.084 -0.724 -0.261 1.00 70.34 H new ATOM 0 H3 MET A 1 1.138 -0.089 0.909 1.00 70.34 H new ATOM 0 HA MET A 1 1.293 0.319 -2.002 1.00 1.01 H new ATOM 0 HB2 MET A 1 2.070 2.172 -0.304 1.00 44.41 H new ATOM 0 HB3 MET A 1 3.399 1.080 0.029 1.00 44.41 H new ATOM 0 HG2 MET A 1 4.246 2.513 -1.625 1.00 11.32 H new ATOM 0 HG3 MET A 1 3.829 1.055 -2.505 1.00 11.32 H new ATOM 0 HE1 MET A 1 1.739 5.131 -2.641 1.00 43.31 H new ATOM 0 HE2 MET A 1 1.172 4.054 -1.342 1.00 43.31 H new ATOM 0 HE3 MET A 1 2.886 4.526 -1.422 1.00 43.31 H new ATOM 18 N LYS A 2 2.840 -1.598 -2.292 1.00 20.05 N ATOM 19 CA LYS A 2 3.620 -2.815 -2.479 1.00 62.51 C ATOM 20 C LYS A 2 4.656 -2.633 -3.583 1.00 45.13 C ATOM 21 O LYS A 2 4.308 -2.405 -4.741 1.00 41.43 O ATOM 22 CB LYS A 2 2.699 -3.989 -2.819 1.00 33.12 C ATOM 23 CG LYS A 2 1.801 -4.410 -1.668 1.00 70.44 C ATOM 24 CD LYS A 2 2.592 -5.091 -0.564 1.00 3.31 C ATOM 25 CE LYS A 2 3.111 -6.450 -1.006 1.00 72.41 C ATOM 26 NZ LYS A 2 3.433 -7.325 0.155 1.00 65.41 N ATOM 0 H LYS A 2 2.511 -1.171 -3.158 1.00 20.05 H new ATOM 0 HA LYS A 2 4.142 -3.029 -1.546 1.00 62.51 H new ATOM 0 HB2 LYS A 2 2.078 -3.718 -3.673 1.00 33.12 H new ATOM 0 HB3 LYS A 2 3.307 -4.840 -3.125 1.00 33.12 H new ATOM 0 HG2 LYS A 2 1.291 -3.535 -1.265 1.00 70.44 H new ATOM 0 HG3 LYS A 2 1.030 -5.087 -2.036 1.00 70.44 H new ATOM 0 HD2 LYS A 2 3.430 -4.458 -0.272 1.00 3.31 H new ATOM 0 HD3 LYS A 2 1.961 -5.210 0.317 1.00 3.31 H new ATOM 0 HE2 LYS A 2 2.364 -6.938 -1.632 1.00 72.41 H new ATOM 0 HE3 LYS A 2 4.003 -6.317 -1.619 1.00 72.41 H new ATOM 0 HZ1 LYS A 2 3.784 -8.242 -0.188 1.00 65.41 H new ATOM 0 HZ2 LYS A 2 4.164 -6.871 0.739 1.00 65.41 H new ATOM 0 HZ3 LYS A 2 2.576 -7.473 0.726 1.00 65.41 H new ATOM 40 N GLN A 3 5.930 -2.736 -3.217 1.00 32.43 N ATOM 41 CA GLN A 3 7.016 -2.583 -4.178 1.00 32.24 C ATOM 42 C GLN A 3 7.518 -3.943 -4.653 1.00 54.42 C ATOM 43 O GLN A 3 8.036 -4.735 -3.866 1.00 41.32 O ATOM 44 CB GLN A 3 8.167 -1.790 -3.556 1.00 71.41 C ATOM 45 CG GLN A 3 9.081 -1.139 -4.582 1.00 35.13 C ATOM 46 CD GLN A 3 10.160 -0.287 -3.944 1.00 12.30 C ATOM 47 OE1 GLN A 3 9.875 0.578 -3.115 1.00 1.20 O ATOM 48 NE2 GLN A 3 11.408 -0.527 -4.328 1.00 1.31 N ATOM 0 H GLN A 3 6.235 -2.925 -2.262 1.00 32.43 H new ATOM 0 HA GLN A 3 6.631 -2.037 -5.039 1.00 32.24 H new ATOM 0 HB2 GLN A 3 7.756 -1.018 -2.906 1.00 71.41 H new ATOM 0 HB3 GLN A 3 8.757 -2.456 -2.926 1.00 71.41 H new ATOM 0 HG2 GLN A 3 9.547 -1.913 -5.191 1.00 35.13 H new ATOM 0 HG3 GLN A 3 8.485 -0.521 -5.254 1.00 35.13 H new ATOM 0 HE21 GLN A 3 11.598 -1.254 -5.018 1.00 1.31 H new ATOM 0 HE22 GLN A 3 12.176 0.015 -3.933 1.00 1.31 H new ATOM 57 N VAL A 4 7.360 -4.207 -5.946 1.00 54.03 N ATOM 58 CA VAL A 4 7.797 -5.471 -6.527 1.00 42.54 C ATOM 59 C VAL A 4 8.616 -5.239 -7.792 1.00 64.31 C ATOM 60 O VAL A 4 8.138 -4.635 -8.753 1.00 62.11 O ATOM 61 CB VAL A 4 6.599 -6.378 -6.864 1.00 23.43 C ATOM 62 CG1 VAL A 4 7.079 -7.716 -7.407 1.00 13.12 C ATOM 63 CG2 VAL A 4 5.720 -6.576 -5.638 1.00 41.40 C ATOM 0 H VAL A 4 6.933 -3.562 -6.611 1.00 54.03 H new ATOM 0 HA VAL A 4 8.418 -5.965 -5.780 1.00 42.54 H new ATOM 0 HB VAL A 4 6.003 -5.892 -7.636 1.00 23.43 H new ATOM 0 HG11 VAL A 4 6.219 -8.344 -7.640 1.00 13.12 H new ATOM 0 HG12 VAL A 4 7.664 -7.553 -8.312 1.00 13.12 H new ATOM 0 HG13 VAL A 4 7.698 -8.211 -6.659 1.00 13.12 H new ATOM 0 HG21 VAL A 4 4.878 -7.219 -5.894 1.00 41.40 H new ATOM 0 HG22 VAL A 4 6.303 -7.041 -4.843 1.00 41.40 H new ATOM 0 HG23 VAL A 4 5.348 -5.610 -5.297 1.00 41.40 H new ATOM 73 N LEU A 5 9.853 -5.724 -7.786 1.00 22.00 N ATOM 74 CA LEU A 5 10.741 -5.571 -8.934 1.00 33.13 C ATOM 75 C LEU A 5 10.615 -6.759 -9.882 1.00 33.54 C ATOM 76 O LEU A 5 9.800 -7.657 -9.665 1.00 10.44 O ATOM 77 CB LEU A 5 12.190 -5.428 -8.467 1.00 3.01 C ATOM 78 CG LEU A 5 12.469 -4.294 -7.480 1.00 12.21 C ATOM 79 CD1 LEU A 5 12.323 -4.784 -6.048 1.00 34.31 C ATOM 80 CD2 LEU A 5 13.858 -3.717 -7.709 1.00 2.23 C ATOM 0 H LEU A 5 10.264 -6.226 -6.999 1.00 22.00 H new ATOM 0 HA LEU A 5 10.448 -4.669 -9.471 1.00 33.13 H new ATOM 0 HB2 LEU A 5 12.496 -6.367 -8.006 1.00 3.01 H new ATOM 0 HB3 LEU A 5 12.821 -5.283 -9.344 1.00 3.01 H new ATOM 0 HG LEU A 5 11.737 -3.504 -7.648 1.00 12.21 H new ATOM 0 HD11 LEU A 5 12.525 -3.963 -5.360 1.00 34.31 H new ATOM 0 HD12 LEU A 5 11.308 -5.148 -5.890 1.00 34.31 H new ATOM 0 HD13 LEU A 5 13.031 -5.593 -5.866 1.00 34.31 H new ATOM 0 HD21 LEU A 5 14.039 -2.911 -6.998 1.00 2.23 H new ATOM 0 HD22 LEU A 5 14.604 -4.499 -7.569 1.00 2.23 H new ATOM 0 HD23 LEU A 5 13.927 -3.327 -8.724 1.00 2.23 H new ATOM 92 N VAL A 6 11.428 -6.760 -10.933 1.00 23.22 N ATOM 93 CA VAL A 6 11.410 -7.840 -11.913 1.00 5.15 C ATOM 94 C VAL A 6 12.786 -8.035 -12.541 1.00 12.32 C ATOM 95 O VAL A 6 13.249 -7.199 -13.317 1.00 32.51 O ATOM 96 CB VAL A 6 10.383 -7.569 -13.027 1.00 74.43 C ATOM 97 CG1 VAL A 6 10.405 -8.688 -14.057 1.00 70.34 C ATOM 98 CG2 VAL A 6 8.990 -7.403 -12.438 1.00 71.44 C ATOM 0 H VAL A 6 12.108 -6.025 -11.128 1.00 23.22 H new ATOM 0 HA VAL A 6 11.125 -8.747 -11.380 1.00 5.15 H new ATOM 0 HB VAL A 6 10.654 -6.640 -13.529 1.00 74.43 H new ATOM 0 HG11 VAL A 6 9.673 -8.479 -14.837 1.00 70.34 H new ATOM 0 HG12 VAL A 6 11.398 -8.755 -14.501 1.00 70.34 H new ATOM 0 HG13 VAL A 6 10.160 -9.633 -13.573 1.00 70.34 H new ATOM 0 HG21 VAL A 6 8.276 -7.212 -13.240 1.00 71.44 H new ATOM 0 HG22 VAL A 6 8.707 -8.314 -11.910 1.00 71.44 H new ATOM 0 HG23 VAL A 6 8.987 -6.564 -11.742 1.00 71.44 H new ATOM 108 N ALA A 7 13.434 -9.144 -12.200 1.00 3.50 N ATOM 109 CA ALA A 7 14.756 -9.450 -12.733 1.00 1.24 C ATOM 110 C ALA A 7 14.680 -10.540 -13.796 1.00 43.12 C ATOM 111 O ALA A 7 14.322 -11.682 -13.504 1.00 44.40 O ATOM 112 CB ALA A 7 15.693 -9.869 -11.610 1.00 23.42 C ATOM 0 H ALA A 7 13.065 -9.845 -11.557 1.00 3.50 H new ATOM 0 HA ALA A 7 15.150 -8.548 -13.202 1.00 1.24 H new ATOM 0 HB1 ALA A 7 16.677 -10.095 -12.022 1.00 23.42 H new ATOM 0 HB2 ALA A 7 15.780 -9.058 -10.887 1.00 23.42 H new ATOM 0 HB3 ALA A 7 15.295 -10.755 -11.115 1.00 23.42 H new ATOM 118 N CYS A 8 15.018 -10.181 -15.030 1.00 3.24 N ATOM 119 CA CYS A 8 14.987 -11.129 -16.138 1.00 11.14 C ATOM 120 C CYS A 8 16.371 -11.720 -16.387 1.00 13.21 C ATOM 121 O CYS A 8 17.375 -11.204 -15.898 1.00 13.15 O ATOM 122 CB CYS A 8 14.475 -10.446 -17.406 1.00 53.34 C ATOM 123 SG CYS A 8 15.478 -9.041 -17.944 1.00 54.35 S ATOM 0 H CYS A 8 15.317 -9.240 -15.288 1.00 3.24 H new ATOM 0 HA CYS A 8 14.309 -11.940 -15.872 1.00 11.14 H new ATOM 0 HB2 CYS A 8 14.436 -11.180 -18.211 1.00 53.34 H new ATOM 0 HB3 CYS A 8 13.454 -10.105 -17.235 1.00 53.34 H new ATOM 0 HG CYS A 8 14.707 -8.129 -18.457 1.00 54.35 H new ATOM 196 N SER A 15 12.663 -6.864 -19.203 1.00 71.54 N ATOM 197 CA SER A 15 11.359 -7.515 -19.136 1.00 44.41 C ATOM 198 C SER A 15 10.256 -6.570 -19.604 1.00 4.25 C ATOM 199 O SER A 15 10.020 -5.523 -18.998 1.00 62.54 O ATOM 200 CB SER A 15 11.073 -7.984 -17.708 1.00 62.25 C ATOM 201 OG SER A 15 12.268 -8.071 -16.951 1.00 53.20 O ATOM 0 HA SER A 15 11.377 -8.381 -19.798 1.00 44.41 H new ATOM 0 HB2 SER A 15 10.383 -7.292 -17.226 1.00 62.25 H new ATOM 0 HB3 SER A 15 10.583 -8.957 -17.733 1.00 62.25 H new ATOM 0 HG SER A 15 12.951 -7.492 -17.350 1.00 53.20 H new ATOM 207 N THR A 16 9.583 -6.946 -20.686 1.00 74.30 N ATOM 208 CA THR A 16 8.505 -6.134 -21.237 1.00 3.22 C ATOM 209 C THR A 16 7.176 -6.878 -21.190 1.00 60.52 C ATOM 210 O THR A 16 6.194 -6.383 -20.637 1.00 4.04 O ATOM 211 CB THR A 16 8.800 -5.722 -22.692 1.00 35.33 C ATOM 212 OG1 THR A 16 10.211 -5.580 -22.885 1.00 23.42 O ATOM 213 CG2 THR A 16 8.102 -4.415 -23.036 1.00 75.31 C ATOM 0 H THR A 16 9.765 -7.809 -21.199 1.00 74.30 H new ATOM 0 HA THR A 16 8.437 -5.238 -20.620 1.00 3.22 H new ATOM 0 HB THR A 16 8.421 -6.503 -23.351 1.00 35.33 H new ATOM 0 HG1 THR A 16 10.390 -5.320 -23.813 1.00 23.42 H new ATOM 0 HG21 THR A 16 8.325 -4.144 -24.068 1.00 75.31 H new ATOM 0 HG22 THR A 16 7.025 -4.535 -22.917 1.00 75.31 H new ATOM 0 HG23 THR A 16 8.455 -3.628 -22.370 1.00 75.31 H new ATOM 221 N VAL A 17 7.151 -8.072 -21.774 1.00 72.25 N ATOM 222 CA VAL A 17 5.942 -8.887 -21.798 1.00 13.41 C ATOM 223 C VAL A 17 5.398 -9.104 -20.390 1.00 64.31 C ATOM 224 O VAL A 17 4.258 -8.750 -20.091 1.00 41.53 O ATOM 225 CB VAL A 17 6.200 -10.256 -22.454 1.00 52.11 C ATOM 226 CG1 VAL A 17 4.939 -11.107 -22.428 1.00 43.33 C ATOM 227 CG2 VAL A 17 6.703 -10.077 -23.878 1.00 62.15 C ATOM 0 H VAL A 17 7.955 -8.496 -22.237 1.00 72.25 H new ATOM 0 HA VAL A 17 5.205 -8.343 -22.389 1.00 13.41 H new ATOM 0 HB VAL A 17 6.971 -10.774 -21.883 1.00 52.11 H new ATOM 0 HG11 VAL A 17 5.141 -12.071 -22.896 1.00 43.33 H new ATOM 0 HG12 VAL A 17 4.627 -11.263 -21.395 1.00 43.33 H new ATOM 0 HG13 VAL A 17 4.145 -10.598 -22.974 1.00 43.33 H new ATOM 0 HG21 VAL A 17 6.880 -11.054 -24.327 1.00 62.15 H new ATOM 0 HG22 VAL A 17 5.957 -9.539 -24.463 1.00 62.15 H new ATOM 0 HG23 VAL A 17 7.633 -9.509 -23.867 1.00 62.15 H new ATOM 237 N VAL A 18 6.223 -9.690 -19.528 1.00 10.15 N ATOM 238 CA VAL A 18 5.826 -9.954 -18.150 1.00 3.05 C ATOM 239 C VAL A 18 5.279 -8.696 -17.485 1.00 20.04 C ATOM 240 O VAL A 18 4.129 -8.662 -17.049 1.00 60.21 O ATOM 241 CB VAL A 18 7.008 -10.488 -17.318 1.00 74.51 C ATOM 242 CG1 VAL A 18 6.575 -10.753 -15.884 1.00 51.10 C ATOM 243 CG2 VAL A 18 7.578 -11.748 -17.952 1.00 43.23 C ATOM 0 H VAL A 18 7.170 -9.991 -19.759 1.00 10.15 H new ATOM 0 HA VAL A 18 5.044 -10.712 -18.186 1.00 3.05 H new ATOM 0 HB VAL A 18 7.791 -9.730 -17.302 1.00 74.51 H new ATOM 0 HG11 VAL A 18 7.423 -11.130 -15.312 1.00 51.10 H new ATOM 0 HG12 VAL A 18 6.217 -9.827 -15.435 1.00 51.10 H new ATOM 0 HG13 VAL A 18 5.775 -11.493 -15.876 1.00 51.10 H new ATOM 0 HG21 VAL A 18 8.412 -12.112 -17.352 1.00 43.23 H new ATOM 0 HG22 VAL A 18 6.804 -12.514 -18.000 1.00 43.23 H new ATOM 0 HG23 VAL A 18 7.927 -11.522 -18.960 1.00 43.23 H new ATOM 253 N ASN A 19 6.111 -7.663 -17.410 1.00 44.54 N ATOM 254 CA ASN A 19 5.711 -6.401 -16.798 1.00 51.12 C ATOM 255 C ASN A 19 4.389 -5.909 -17.381 1.00 4.04 C ATOM 256 O ASN A 19 3.422 -5.691 -16.653 1.00 33.11 O ATOM 257 CB ASN A 19 6.797 -5.343 -17.004 1.00 11.14 C ATOM 258 CG ASN A 19 6.267 -3.931 -16.841 1.00 60.30 C ATOM 259 OD1 ASN A 19 6.539 -3.056 -17.663 1.00 11.13 O ATOM 260 ND2 ASN A 19 5.506 -3.704 -15.777 1.00 22.14 N ATOM 0 H ASN A 19 7.067 -7.675 -17.766 1.00 44.54 H new ATOM 0 HA ASN A 19 5.576 -6.570 -15.730 1.00 51.12 H new ATOM 0 HB2 ASN A 19 7.603 -5.510 -16.290 1.00 11.14 H new ATOM 0 HB3 ASN A 19 7.225 -5.455 -18.000 1.00 11.14 H new ATOM 0 HD21 ASN A 19 5.121 -2.774 -15.615 1.00 22.14 H new ATOM 0 HD22 ASN A 19 5.307 -4.460 -15.122 1.00 22.14 H new ATOM 267 N ASN A 20 4.357 -5.737 -18.698 1.00 42.11 N ATOM 268 CA ASN A 20 3.155 -5.271 -19.379 1.00 14.21 C ATOM 269 C ASN A 20 1.945 -6.111 -18.982 1.00 73.44 C ATOM 270 O ASN A 20 0.827 -5.605 -18.892 1.00 10.45 O ATOM 271 CB ASN A 20 3.350 -5.321 -20.896 1.00 31.45 C ATOM 272 CG ASN A 20 4.028 -4.076 -21.433 1.00 62.10 C ATOM 273 OD1 ASN A 20 3.482 -3.378 -22.287 1.00 50.13 O ATOM 274 ND2 ASN A 20 5.225 -3.792 -20.933 1.00 64.35 N ATOM 0 H ASN A 20 5.150 -5.913 -19.315 1.00 42.11 H new ATOM 0 HA ASN A 20 2.974 -4.239 -19.077 1.00 14.21 H new ATOM 0 HB2 ASN A 20 3.946 -6.196 -21.154 1.00 31.45 H new ATOM 0 HB3 ASN A 20 2.381 -5.441 -21.380 1.00 31.45 H new ATOM 0 HD21 ASN A 20 5.730 -2.967 -21.256 1.00 64.35 H new ATOM 0 HD22 ASN A 20 5.640 -4.399 -20.226 1.00 64.35 H new ATOM 281 N ALA A 21 2.177 -7.399 -18.747 1.00 11.40 N ATOM 282 CA ALA A 21 1.107 -8.309 -18.358 1.00 22.04 C ATOM 283 C ALA A 21 0.663 -8.052 -16.922 1.00 23.24 C ATOM 284 O ALA A 21 -0.532 -8.038 -16.625 1.00 3.22 O ATOM 285 CB ALA A 21 1.557 -9.753 -18.523 1.00 20.12 C ATOM 0 H ALA A 21 3.096 -7.835 -18.819 1.00 11.40 H new ATOM 0 HA ALA A 21 0.254 -8.129 -19.012 1.00 22.04 H new ATOM 0 HB1 ALA A 21 0.748 -10.422 -18.229 1.00 20.12 H new ATOM 0 HB2 ALA A 21 1.818 -9.936 -19.565 1.00 20.12 H new ATOM 0 HB3 ALA A 21 2.427 -9.937 -17.893 1.00 20.12 H new ATOM 291 N ILE A 22 1.632 -7.851 -16.035 1.00 0.22 N ATOM 292 CA ILE A 22 1.340 -7.594 -14.630 1.00 71.30 C ATOM 293 C ILE A 22 0.659 -6.242 -14.448 1.00 43.11 C ATOM 294 O ILE A 22 -0.401 -6.148 -13.831 1.00 22.15 O ATOM 295 CB ILE A 22 2.619 -7.632 -13.773 1.00 31.20 C ATOM 296 CG1 ILE A 22 3.281 -9.009 -13.866 1.00 14.42 C ATOM 297 CG2 ILE A 22 2.297 -7.290 -12.326 1.00 2.40 C ATOM 298 CD1 ILE A 22 2.376 -10.144 -13.439 1.00 45.31 C ATOM 0 H ILE A 22 2.626 -7.861 -16.264 1.00 0.22 H new ATOM 0 HA ILE A 22 0.667 -8.384 -14.298 1.00 71.30 H new ATOM 0 HB ILE A 22 3.317 -6.887 -14.155 1.00 31.20 H new ATOM 0 HG12 ILE A 22 3.604 -9.179 -14.893 1.00 14.42 H new ATOM 0 HG13 ILE A 22 4.177 -9.016 -13.245 1.00 14.42 H new ATOM 0 HG21 ILE A 22 3.211 -7.321 -11.733 1.00 2.40 H new ATOM 0 HG22 ILE A 22 1.866 -6.290 -12.276 1.00 2.40 H new ATOM 0 HG23 ILE A 22 1.584 -8.013 -11.931 1.00 2.40 H new ATOM 0 HD11 ILE A 22 2.910 -11.090 -13.531 1.00 45.31 H new ATOM 0 HD12 ILE A 22 2.073 -9.997 -12.402 1.00 45.31 H new ATOM 0 HD13 ILE A 22 1.492 -10.164 -14.076 1.00 45.31 H new ATOM 310 N GLU A 23 1.276 -5.197 -14.992 1.00 30.20 N ATOM 311 CA GLU A 23 0.728 -3.850 -14.890 1.00 43.31 C ATOM 312 C GLU A 23 -0.732 -3.821 -15.331 1.00 34.32 C ATOM 313 O GLU A 23 -1.541 -3.073 -14.784 1.00 14.32 O ATOM 314 CB GLU A 23 1.548 -2.877 -15.740 1.00 51.51 C ATOM 315 CG GLU A 23 1.428 -3.124 -17.235 1.00 0.15 C ATOM 316 CD GLU A 23 2.197 -2.109 -18.057 1.00 42.34 C ATOM 317 OE1 GLU A 23 1.986 -2.061 -19.287 1.00 51.45 O ATOM 318 OE2 GLU A 23 3.010 -1.363 -17.472 1.00 71.02 O ATOM 0 H GLU A 23 2.154 -5.258 -15.507 1.00 30.20 H new ATOM 0 HA GLU A 23 0.780 -3.543 -13.846 1.00 43.31 H new ATOM 0 HB2 GLU A 23 1.228 -1.858 -15.522 1.00 51.51 H new ATOM 0 HB3 GLU A 23 2.596 -2.950 -15.451 1.00 51.51 H new ATOM 0 HG2 GLU A 23 1.794 -4.125 -17.465 1.00 0.15 H new ATOM 0 HG3 GLU A 23 0.377 -3.096 -17.521 1.00 0.15 H new ATOM 325 N GLU A 24 -1.061 -4.642 -16.324 1.00 30.04 N ATOM 326 CA GLU A 24 -2.424 -4.710 -16.839 1.00 4.34 C ATOM 327 C GLU A 24 -3.347 -5.406 -15.843 1.00 54.23 C ATOM 328 O GLU A 24 -4.469 -4.959 -15.604 1.00 4.42 O ATOM 329 CB GLU A 24 -2.450 -5.448 -18.178 1.00 61.34 C ATOM 330 CG GLU A 24 -1.869 -4.643 -19.329 1.00 22.44 C ATOM 331 CD GLU A 24 -1.547 -5.501 -20.537 1.00 24.32 C ATOM 332 OE1 GLU A 24 -1.768 -6.729 -20.468 1.00 40.51 O ATOM 333 OE2 GLU A 24 -1.073 -4.946 -21.550 1.00 71.21 O ATOM 0 H GLU A 24 -0.403 -5.269 -16.787 1.00 30.04 H new ATOM 0 HA GLU A 24 -2.781 -3.691 -16.988 1.00 4.34 H new ATOM 0 HB2 GLU A 24 -1.893 -6.380 -18.080 1.00 61.34 H new ATOM 0 HB3 GLU A 24 -3.480 -5.715 -18.416 1.00 61.34 H new ATOM 0 HG2 GLU A 24 -2.577 -3.866 -19.618 1.00 22.44 H new ATOM 0 HG3 GLU A 24 -0.962 -4.139 -18.994 1.00 22.44 H new ATOM 340 N MET A 25 -2.868 -6.503 -15.267 1.00 63.35 N ATOM 341 CA MET A 25 -3.650 -7.261 -14.298 1.00 21.33 C ATOM 342 C MET A 25 -3.885 -6.444 -13.031 1.00 74.14 C ATOM 343 O MET A 25 -5.017 -6.320 -12.563 1.00 43.23 O ATOM 344 CB MET A 25 -2.939 -8.571 -13.949 1.00 55.41 C ATOM 345 CG MET A 25 -3.169 -9.676 -14.967 1.00 21.22 C ATOM 346 SD MET A 25 -3.215 -11.314 -14.214 1.00 62.24 S ATOM 347 CE MET A 25 -2.742 -12.339 -15.605 1.00 41.12 C ATOM 0 H MET A 25 -1.942 -6.887 -15.454 1.00 63.35 H new ATOM 0 HA MET A 25 -4.617 -7.489 -14.747 1.00 21.33 H new ATOM 0 HB2 MET A 25 -1.869 -8.383 -13.865 1.00 55.41 H new ATOM 0 HB3 MET A 25 -3.281 -8.911 -12.972 1.00 55.41 H new ATOM 0 HG2 MET A 25 -4.108 -9.494 -15.489 1.00 21.22 H new ATOM 0 HG3 MET A 25 -2.377 -9.646 -15.715 1.00 21.22 H new ATOM 0 HE1 MET A 25 -2.349 -13.288 -15.241 1.00 41.12 H new ATOM 0 HE2 MET A 25 -3.613 -12.524 -16.233 1.00 41.12 H new ATOM 0 HE3 MET A 25 -1.976 -11.829 -16.189 1.00 41.12 H new ATOM 357 N ALA A 26 -2.810 -5.890 -12.482 1.00 1.51 N ATOM 358 CA ALA A 26 -2.901 -5.083 -11.271 1.00 25.20 C ATOM 359 C ALA A 26 -3.964 -4.000 -11.411 1.00 55.22 C ATOM 360 O ALA A 26 -4.650 -3.660 -10.447 1.00 13.31 O ATOM 361 CB ALA A 26 -1.550 -4.461 -10.949 1.00 40.21 C ATOM 0 H ALA A 26 -1.866 -5.985 -12.856 1.00 1.51 H new ATOM 0 HA ALA A 26 -3.193 -5.737 -10.449 1.00 25.20 H new ATOM 0 HB1 ALA A 26 -1.632 -3.861 -10.043 1.00 40.21 H new ATOM 0 HB2 ALA A 26 -0.813 -5.250 -10.796 1.00 40.21 H new ATOM 0 HB3 ALA A 26 -1.235 -3.826 -11.777 1.00 40.21 H new ATOM 367 N LYS A 27 -4.097 -3.460 -12.618 1.00 41.20 N ATOM 368 CA LYS A 27 -5.078 -2.415 -12.886 1.00 3.33 C ATOM 369 C LYS A 27 -6.497 -2.938 -12.690 1.00 52.25 C ATOM 370 O LYS A 27 -7.339 -2.266 -12.096 1.00 10.23 O ATOM 371 CB LYS A 27 -4.910 -1.883 -14.311 1.00 14.42 C ATOM 372 CG LYS A 27 -3.744 -0.922 -14.468 1.00 73.25 C ATOM 373 CD LYS A 27 -4.161 0.512 -14.186 1.00 24.43 C ATOM 374 CE LYS A 27 -4.809 1.154 -15.402 1.00 74.23 C ATOM 375 NZ LYS A 27 -3.799 1.742 -16.325 1.00 24.55 N ATOM 0 H LYS A 27 -3.537 -3.729 -13.427 1.00 41.20 H new ATOM 0 HA LYS A 27 -4.909 -1.602 -12.180 1.00 3.33 H new ATOM 0 HB2 LYS A 27 -4.770 -2.724 -14.990 1.00 14.42 H new ATOM 0 HB3 LYS A 27 -5.828 -1.379 -14.612 1.00 14.42 H new ATOM 0 HG2 LYS A 27 -2.941 -1.209 -13.789 1.00 73.25 H new ATOM 0 HG3 LYS A 27 -3.346 -0.994 -15.480 1.00 73.25 H new ATOM 0 HD2 LYS A 27 -4.858 0.531 -13.348 1.00 24.43 H new ATOM 0 HD3 LYS A 27 -3.289 1.094 -13.888 1.00 24.43 H new ATOM 0 HE2 LYS A 27 -5.398 0.408 -15.936 1.00 74.23 H new ATOM 0 HE3 LYS A 27 -5.500 1.932 -15.077 1.00 74.23 H new ATOM 0 HZ1 LYS A 27 -4.282 2.170 -17.141 1.00 24.55 H new ATOM 0 HZ2 LYS A 27 -3.254 2.472 -15.824 1.00 24.55 H new ATOM 0 HZ3 LYS A 27 -3.155 0.995 -16.656 1.00 24.55 H new ATOM 389 N GLU A 28 -6.754 -4.141 -13.194 1.00 53.00 N ATOM 390 CA GLU A 28 -8.072 -4.753 -13.073 1.00 72.14 C ATOM 391 C GLU A 28 -8.467 -4.911 -11.608 1.00 23.22 C ATOM 392 O GLU A 28 -9.635 -4.765 -11.249 1.00 35.25 O ATOM 393 CB GLU A 28 -8.091 -6.116 -13.768 1.00 74.30 C ATOM 394 CG GLU A 28 -9.476 -6.735 -13.857 1.00 14.14 C ATOM 395 CD GLU A 28 -9.880 -7.446 -12.580 1.00 15.13 C ATOM 396 OE1 GLU A 28 -9.151 -8.366 -12.156 1.00 22.21 O ATOM 397 OE2 GLU A 28 -10.927 -7.081 -12.004 1.00 72.11 O ATOM 0 H GLU A 28 -6.068 -4.710 -13.689 1.00 53.00 H new ATOM 0 HA GLU A 28 -8.795 -4.096 -13.557 1.00 72.14 H new ATOM 0 HB2 GLU A 28 -7.686 -6.007 -14.774 1.00 74.30 H new ATOM 0 HB3 GLU A 28 -7.432 -6.798 -13.231 1.00 74.30 H new ATOM 0 HG2 GLU A 28 -10.205 -5.956 -14.081 1.00 14.14 H new ATOM 0 HG3 GLU A 28 -9.501 -7.442 -14.686 1.00 14.14 H new ATOM 404 N HIS A 29 -7.483 -5.211 -10.765 1.00 71.24 N ATOM 405 CA HIS A 29 -7.726 -5.389 -9.338 1.00 75.53 C ATOM 406 C HIS A 29 -7.750 -4.044 -8.619 1.00 72.11 C ATOM 407 O HIS A 29 -8.433 -3.882 -7.609 1.00 12.21 O ATOM 408 CB HIS A 29 -6.654 -6.290 -8.725 1.00 43.11 C ATOM 409 CG HIS A 29 -6.753 -7.720 -9.158 1.00 61.24 C ATOM 410 ND1 HIS A 29 -7.453 -8.674 -8.451 1.00 20.25 N ATOM 411 CD2 HIS A 29 -6.237 -8.357 -10.236 1.00 2.32 C ATOM 412 CE1 HIS A 29 -7.362 -9.836 -9.073 1.00 23.03 C ATOM 413 NE2 HIS A 29 -6.629 -9.670 -10.159 1.00 73.43 N ATOM 0 H HIS A 29 -6.510 -5.336 -11.046 1.00 71.24 H new ATOM 0 HA HIS A 29 -8.700 -5.863 -9.217 1.00 75.53 H new ATOM 0 HB2 HIS A 29 -5.670 -5.905 -8.994 1.00 43.11 H new ATOM 0 HB3 HIS A 29 -6.729 -6.242 -7.639 1.00 43.11 H new ATOM 0 HD2 HIS A 29 -5.630 -7.914 -11.012 1.00 2.32 H new ATOM 0 HE1 HIS A 29 -7.810 -10.763 -8.749 1.00 23.03 H new ATOM 0 HE2 HIS A 29 -6.393 -10.399 -10.832 1.00 73.43 H new ATOM 421 N ASN A 30 -6.999 -3.083 -9.147 1.00 30.12 N ATOM 422 CA ASN A 30 -6.933 -1.752 -8.554 1.00 71.20 C ATOM 423 C ASN A 30 -6.291 -1.804 -7.171 1.00 45.22 C ATOM 424 O ASN A 30 -6.786 -1.195 -6.223 1.00 1.25 O ATOM 425 CB ASN A 30 -8.334 -1.145 -8.455 1.00 70.14 C ATOM 426 CG ASN A 30 -9.154 -1.377 -9.710 1.00 33.13 C ATOM 427 OD1 ASN A 30 -8.955 -0.712 -10.727 1.00 34.34 O ATOM 428 ND2 ASN A 30 -10.083 -2.324 -9.642 1.00 63.25 N ATOM 0 H ASN A 30 -6.428 -3.201 -9.984 1.00 30.12 H new ATOM 0 HA ASN A 30 -6.317 -1.125 -9.198 1.00 71.20 H new ATOM 0 HB2 ASN A 30 -8.854 -1.576 -7.599 1.00 70.14 H new ATOM 0 HB3 ASN A 30 -8.251 -0.074 -8.271 1.00 70.14 H new ATOM 0 HD21 ASN A 30 -10.667 -2.525 -10.454 1.00 63.25 H new ATOM 0 HD22 ASN A 30 -10.213 -2.850 -8.778 1.00 63.25 H new ATOM 435 N ILE A 31 -5.185 -2.534 -7.065 1.00 54.23 N ATOM 436 CA ILE A 31 -4.474 -2.663 -5.799 1.00 75.35 C ATOM 437 C ILE A 31 -3.311 -1.681 -5.720 1.00 23.13 C ATOM 438 O ILE A 31 -2.724 -1.312 -6.737 1.00 61.22 O ATOM 439 CB ILE A 31 -3.939 -4.093 -5.598 1.00 34.30 C ATOM 440 CG1 ILE A 31 -5.043 -5.117 -5.872 1.00 64.44 C ATOM 441 CG2 ILE A 31 -3.393 -4.261 -4.188 1.00 44.41 C ATOM 442 CD1 ILE A 31 -4.564 -6.551 -5.814 1.00 32.23 C ATOM 0 H ILE A 31 -4.762 -3.045 -7.840 1.00 54.23 H new ATOM 0 HA ILE A 31 -5.191 -2.438 -5.009 1.00 75.35 H new ATOM 0 HB ILE A 31 -3.127 -4.264 -6.304 1.00 34.30 H new ATOM 0 HG12 ILE A 31 -5.843 -4.980 -5.145 1.00 64.44 H new ATOM 0 HG13 ILE A 31 -5.470 -4.924 -6.856 1.00 64.44 H new ATOM 0 HG21 ILE A 31 -3.019 -5.277 -4.061 1.00 44.41 H new ATOM 0 HG22 ILE A 31 -2.581 -3.552 -4.025 1.00 44.41 H new ATOM 0 HG23 ILE A 31 -4.188 -4.075 -3.466 1.00 44.41 H new ATOM 0 HD11 ILE A 31 -5.399 -7.222 -6.018 1.00 32.23 H new ATOM 0 HD12 ILE A 31 -3.784 -6.705 -6.560 1.00 32.23 H new ATOM 0 HD13 ILE A 31 -4.163 -6.761 -4.822 1.00 32.23 H new ATOM 454 N LYS A 32 -2.980 -1.262 -4.503 1.00 10.20 N ATOM 455 CA LYS A 32 -1.884 -0.325 -4.288 1.00 0.42 C ATOM 456 C LYS A 32 -0.535 -1.027 -4.412 1.00 15.31 C ATOM 457 O LYS A 32 0.204 -1.150 -3.435 1.00 51.43 O ATOM 458 CB LYS A 32 -2.006 0.327 -2.909 1.00 15.33 C ATOM 459 CG LYS A 32 -3.007 1.469 -2.862 1.00 42.35 C ATOM 460 CD LYS A 32 -4.417 0.965 -2.604 1.00 41.42 C ATOM 461 CE LYS A 32 -5.326 2.081 -2.112 1.00 31.00 C ATOM 462 NZ LYS A 32 -5.962 2.817 -3.240 1.00 30.51 N ATOM 0 H LYS A 32 -3.456 -1.557 -3.650 1.00 10.20 H new ATOM 0 HA LYS A 32 -1.944 0.447 -5.055 1.00 0.42 H new ATOM 0 HB2 LYS A 32 -2.298 -0.431 -2.183 1.00 15.33 H new ATOM 0 HB3 LYS A 32 -1.028 0.700 -2.605 1.00 15.33 H new ATOM 0 HG2 LYS A 32 -2.722 2.172 -2.079 1.00 42.35 H new ATOM 0 HG3 LYS A 32 -2.982 2.015 -3.805 1.00 42.35 H new ATOM 0 HD2 LYS A 32 -4.826 0.539 -3.520 1.00 41.42 H new ATOM 0 HD3 LYS A 32 -4.389 0.164 -1.865 1.00 41.42 H new ATOM 0 HE2 LYS A 32 -6.100 1.662 -1.469 1.00 31.00 H new ATOM 0 HE3 LYS A 32 -4.749 2.777 -1.503 1.00 31.00 H new ATOM 0 HZ1 LYS A 32 -6.573 3.569 -2.863 1.00 30.51 H new ATOM 0 HZ2 LYS A 32 -5.224 3.239 -3.839 1.00 30.51 H new ATOM 0 HZ3 LYS A 32 -6.533 2.158 -3.806 1.00 30.51 H new ATOM 476 N VAL A 33 -0.221 -1.485 -5.619 1.00 44.55 N ATOM 477 CA VAL A 33 1.040 -2.172 -5.872 1.00 3.13 C ATOM 478 C VAL A 33 1.745 -1.596 -7.095 1.00 72.30 C ATOM 479 O VAL A 33 1.120 -1.357 -8.129 1.00 22.33 O ATOM 480 CB VAL A 33 0.824 -3.682 -6.081 1.00 30.42 C ATOM 481 CG1 VAL A 33 -0.175 -3.929 -7.201 1.00 41.01 C ATOM 482 CG2 VAL A 33 2.147 -4.374 -6.373 1.00 71.21 C ATOM 0 H VAL A 33 -0.823 -1.393 -6.438 1.00 44.55 H new ATOM 0 HA VAL A 33 1.665 -2.020 -4.992 1.00 3.13 H new ATOM 0 HB VAL A 33 0.415 -4.103 -5.163 1.00 30.42 H new ATOM 0 HG11 VAL A 33 -0.315 -5.002 -7.334 1.00 41.01 H new ATOM 0 HG12 VAL A 33 -1.129 -3.468 -6.946 1.00 41.01 H new ATOM 0 HG13 VAL A 33 0.202 -3.495 -8.127 1.00 41.01 H new ATOM 0 HG21 VAL A 33 1.975 -5.441 -6.518 1.00 71.21 H new ATOM 0 HG22 VAL A 33 2.587 -3.951 -7.276 1.00 71.21 H new ATOM 0 HG23 VAL A 33 2.828 -4.227 -5.534 1.00 71.21 H new ATOM 492 N ASP A 34 3.049 -1.376 -6.971 1.00 31.43 N ATOM 493 CA ASP A 34 3.840 -0.830 -8.067 1.00 41.01 C ATOM 494 C ASP A 34 4.589 -1.938 -8.802 1.00 11.34 C ATOM 495 O ASP A 34 4.457 -3.116 -8.468 1.00 43.21 O ATOM 496 CB ASP A 34 4.831 0.210 -7.541 1.00 35.12 C ATOM 497 CG ASP A 34 4.153 1.508 -7.149 1.00 1.31 C ATOM 498 OD1 ASP A 34 3.206 1.919 -7.852 1.00 12.42 O ATOM 499 OD2 ASP A 34 4.569 2.113 -6.139 1.00 24.00 O ATOM 0 H ASP A 34 3.581 -1.568 -6.122 1.00 31.43 H new ATOM 0 HA ASP A 34 3.159 -0.349 -8.769 1.00 41.01 H new ATOM 0 HB2 ASP A 34 5.357 -0.197 -6.677 1.00 35.12 H new ATOM 0 HB3 ASP A 34 5.582 0.412 -8.305 1.00 35.12 H new ATOM 504 N ILE A 35 5.373 -1.552 -9.802 1.00 50.25 N ATOM 505 CA ILE A 35 6.142 -2.512 -10.584 1.00 22.44 C ATOM 506 C ILE A 35 7.488 -1.930 -11.000 1.00 44.32 C ATOM 507 O ILE A 35 7.555 -1.016 -11.822 1.00 55.25 O ATOM 508 CB ILE A 35 5.376 -2.956 -11.844 1.00 34.15 C ATOM 509 CG1 ILE A 35 3.954 -3.387 -11.477 1.00 11.32 C ATOM 510 CG2 ILE A 35 6.114 -4.088 -12.542 1.00 23.02 C ATOM 511 CD1 ILE A 35 3.100 -3.735 -12.676 1.00 12.23 C ATOM 0 H ILE A 35 5.493 -0.581 -10.090 1.00 50.25 H new ATOM 0 HA ILE A 35 6.306 -3.379 -9.944 1.00 22.44 H new ATOM 0 HB ILE A 35 5.315 -2.111 -12.530 1.00 34.15 H new ATOM 0 HG12 ILE A 35 4.004 -4.251 -10.814 1.00 11.32 H new ATOM 0 HG13 ILE A 35 3.472 -2.584 -10.919 1.00 11.32 H new ATOM 0 HG21 ILE A 35 5.560 -4.390 -13.431 1.00 23.02 H new ATOM 0 HG22 ILE A 35 7.109 -3.749 -12.832 1.00 23.02 H new ATOM 0 HG23 ILE A 35 6.203 -4.937 -11.864 1.00 23.02 H new ATOM 0 HD11 ILE A 35 2.106 -4.031 -12.341 1.00 12.23 H new ATOM 0 HD12 ILE A 35 3.019 -2.866 -13.329 1.00 12.23 H new ATOM 0 HD13 ILE A 35 3.559 -4.559 -13.223 1.00 12.23 H new ATOM 523 N LYS A 36 8.561 -2.466 -10.428 1.00 43.24 N ATOM 524 CA LYS A 36 9.908 -2.002 -10.741 1.00 71.45 C ATOM 525 C LYS A 36 10.587 -2.936 -11.738 1.00 74.34 C ATOM 526 O LYS A 36 10.280 -4.127 -11.794 1.00 2.10 O ATOM 527 CB LYS A 36 10.746 -1.906 -9.465 1.00 0.03 C ATOM 528 CG LYS A 36 11.520 -0.605 -9.342 1.00 13.32 C ATOM 529 CD LYS A 36 10.729 0.444 -8.579 1.00 14.44 C ATOM 530 CE LYS A 36 11.647 1.419 -7.857 1.00 53.11 C ATOM 531 NZ LYS A 36 11.183 2.827 -8.000 1.00 11.04 N ATOM 0 H LYS A 36 8.524 -3.223 -9.745 1.00 43.24 H new ATOM 0 HA LYS A 36 9.829 -1.013 -11.192 1.00 71.45 H new ATOM 0 HB2 LYS A 36 10.090 -2.012 -8.601 1.00 0.03 H new ATOM 0 HB3 LYS A 36 11.447 -2.740 -9.437 1.00 0.03 H new ATOM 0 HG2 LYS A 36 12.466 -0.790 -8.833 1.00 13.32 H new ATOM 0 HG3 LYS A 36 11.761 -0.229 -10.336 1.00 13.32 H new ATOM 0 HD2 LYS A 36 10.087 0.991 -9.270 1.00 14.44 H new ATOM 0 HD3 LYS A 36 10.076 -0.046 -7.856 1.00 14.44 H new ATOM 0 HE2 LYS A 36 11.695 1.158 -6.800 1.00 53.11 H new ATOM 0 HE3 LYS A 36 12.658 1.328 -8.254 1.00 53.11 H new ATOM 0 HZ1 LYS A 36 11.835 3.460 -7.494 1.00 11.04 H new ATOM 0 HZ2 LYS A 36 11.162 3.085 -9.007 1.00 11.04 H new ATOM 0 HZ3 LYS A 36 10.228 2.920 -7.598 1.00 11.04 H new ATOM 545 N GLN A 37 11.510 -2.388 -12.522 1.00 32.31 N ATOM 546 CA GLN A 37 12.232 -3.174 -13.516 1.00 12.23 C ATOM 547 C GLN A 37 13.724 -2.863 -13.476 1.00 43.52 C ATOM 548 O GLN A 37 14.156 -1.790 -13.901 1.00 32.22 O ATOM 549 CB GLN A 37 11.678 -2.898 -14.915 1.00 22.32 C ATOM 550 CG GLN A 37 10.160 -2.917 -14.983 1.00 33.52 C ATOM 551 CD GLN A 37 9.631 -2.503 -16.342 1.00 21.11 C ATOM 552 OE1 GLN A 37 9.605 -1.318 -16.676 1.00 31.13 O ATOM 553 NE2 GLN A 37 9.206 -3.480 -17.135 1.00 43.31 N ATOM 0 H GLN A 37 11.775 -1.404 -12.488 1.00 32.31 H new ATOM 0 HA GLN A 37 12.093 -4.229 -13.280 1.00 12.23 H new ATOM 0 HB2 GLN A 37 12.036 -1.926 -15.253 1.00 22.32 H new ATOM 0 HB3 GLN A 37 12.074 -3.642 -15.607 1.00 22.32 H new ATOM 0 HG2 GLN A 37 9.802 -3.919 -14.748 1.00 33.52 H new ATOM 0 HG3 GLN A 37 9.758 -2.249 -14.222 1.00 33.52 H new ATOM 0 HE21 GLN A 37 9.246 -4.448 -16.817 1.00 43.31 H new ATOM 0 HE22 GLN A 37 8.840 -3.262 -18.062 1.00 43.31 H new ATOM 562 N ILE A 38 14.507 -3.806 -12.964 1.00 30.03 N ATOM 563 CA ILE A 38 15.951 -3.632 -12.870 1.00 21.03 C ATOM 564 C ILE A 38 16.682 -4.939 -13.159 1.00 42.41 C ATOM 565 O ILE A 38 16.060 -5.988 -13.327 1.00 12.52 O ATOM 566 CB ILE A 38 16.367 -3.121 -11.478 1.00 22.45 C ATOM 567 CG1 ILE A 38 16.464 -4.287 -10.491 1.00 2.21 C ATOM 568 CG2 ILE A 38 15.378 -2.079 -10.978 1.00 42.34 C ATOM 569 CD1 ILE A 38 15.199 -5.112 -10.404 1.00 65.13 C ATOM 0 H ILE A 38 14.166 -4.699 -12.608 1.00 30.03 H new ATOM 0 HA ILE A 38 16.229 -2.890 -13.618 1.00 21.03 H new ATOM 0 HB ILE A 38 17.348 -2.653 -11.558 1.00 22.45 H new ATOM 0 HG12 ILE A 38 17.290 -4.934 -10.785 1.00 2.21 H new ATOM 0 HG13 ILE A 38 16.702 -3.896 -9.502 1.00 2.21 H new ATOM 0 HG21 ILE A 38 15.686 -1.728 -9.993 1.00 42.34 H new ATOM 0 HG22 ILE A 38 15.353 -1.238 -11.672 1.00 42.34 H new ATOM 0 HG23 ILE A 38 14.385 -2.523 -10.911 1.00 42.34 H new ATOM 0 HD11 ILE A 38 15.340 -5.920 -9.686 1.00 65.13 H new ATOM 0 HD12 ILE A 38 14.373 -4.479 -10.080 1.00 65.13 H new ATOM 0 HD13 ILE A 38 14.971 -5.533 -11.383 1.00 65.13 H new ATOM 581 N LYS A 39 18.008 -4.868 -13.215 1.00 31.54 N ATOM 582 CA LYS A 39 18.826 -6.046 -13.480 1.00 43.44 C ATOM 583 C LYS A 39 19.276 -6.701 -12.178 1.00 51.14 C ATOM 584 O LYS A 39 19.216 -6.089 -11.112 1.00 10.43 O ATOM 585 CB LYS A 39 20.048 -5.664 -14.320 1.00 34.10 C ATOM 586 CG LYS A 39 20.063 -6.305 -15.697 1.00 42.20 C ATOM 587 CD LYS A 39 19.353 -5.438 -16.723 1.00 71.24 C ATOM 588 CE LYS A 39 17.927 -5.912 -16.962 1.00 4.00 C ATOM 589 NZ LYS A 39 17.652 -6.134 -18.408 1.00 73.54 N ATOM 0 H LYS A 39 18.539 -4.007 -13.080 1.00 31.54 H new ATOM 0 HA LYS A 39 18.219 -6.762 -14.035 1.00 43.44 H new ATOM 0 HB2 LYS A 39 20.077 -4.580 -14.432 1.00 34.10 H new ATOM 0 HB3 LYS A 39 20.952 -5.953 -13.784 1.00 34.10 H new ATOM 0 HG2 LYS A 39 21.094 -6.472 -16.011 1.00 42.20 H new ATOM 0 HG3 LYS A 39 19.582 -7.282 -15.650 1.00 42.20 H new ATOM 0 HD2 LYS A 39 19.341 -4.403 -16.381 1.00 71.24 H new ATOM 0 HD3 LYS A 39 19.906 -5.457 -17.662 1.00 71.24 H new ATOM 0 HE2 LYS A 39 17.755 -6.838 -16.413 1.00 4.00 H new ATOM 0 HE3 LYS A 39 17.228 -5.174 -16.568 1.00 4.00 H new ATOM 0 HZ1 LYS A 39 16.916 -6.862 -18.514 1.00 73.54 H new ATOM 0 HZ2 LYS A 39 17.325 -5.246 -18.840 1.00 73.54 H new ATOM 0 HZ3 LYS A 39 18.522 -6.450 -18.882 1.00 73.54 H new ATOM 603 N ILE A 40 19.727 -7.947 -12.274 1.00 30.15 N ATOM 604 CA ILE A 40 20.189 -8.683 -11.103 1.00 70.13 C ATOM 605 C ILE A 40 21.240 -7.889 -10.334 1.00 74.52 C ATOM 606 O ILE A 40 21.364 -8.019 -9.116 1.00 33.22 O ATOM 607 CB ILE A 40 20.780 -10.050 -11.495 1.00 71.34 C ATOM 608 CG1 ILE A 40 20.991 -10.915 -10.251 1.00 3.22 C ATOM 609 CG2 ILE A 40 22.090 -9.865 -12.247 1.00 74.22 C ATOM 610 CD1 ILE A 40 19.709 -11.488 -9.689 1.00 25.43 C ATOM 0 H ILE A 40 19.782 -8.468 -13.149 1.00 30.15 H new ATOM 0 HA ILE A 40 19.319 -8.841 -10.466 1.00 70.13 H new ATOM 0 HB ILE A 40 20.075 -10.559 -12.152 1.00 71.34 H new ATOM 0 HG12 ILE A 40 21.668 -11.733 -10.498 1.00 3.22 H new ATOM 0 HG13 ILE A 40 21.480 -10.318 -9.482 1.00 3.22 H new ATOM 0 HG21 ILE A 40 22.495 -10.840 -12.517 1.00 74.22 H new ATOM 0 HG22 ILE A 40 21.911 -9.283 -13.151 1.00 74.22 H new ATOM 0 HG23 ILE A 40 22.803 -9.339 -11.612 1.00 74.22 H new ATOM 0 HD11 ILE A 40 19.935 -12.090 -8.809 1.00 25.43 H new ATOM 0 HD12 ILE A 40 19.038 -10.675 -9.410 1.00 25.43 H new ATOM 0 HD13 ILE A 40 19.229 -12.113 -10.442 1.00 25.43 H new ATOM 622 N THR A 41 21.994 -7.065 -11.054 1.00 5.34 N ATOM 623 CA THR A 41 23.034 -6.249 -10.440 1.00 3.24 C ATOM 624 C THR A 41 22.452 -4.972 -9.844 1.00 74.13 C ATOM 625 O THR A 41 22.997 -4.416 -8.892 1.00 44.43 O ATOM 626 CB THR A 41 24.129 -5.874 -11.457 1.00 33.51 C ATOM 627 OG1 THR A 41 25.068 -4.975 -10.858 1.00 14.45 O ATOM 628 CG2 THR A 41 23.520 -5.231 -12.694 1.00 4.12 C ATOM 0 H THR A 41 21.904 -6.945 -12.063 1.00 5.34 H new ATOM 0 HA THR A 41 23.477 -6.849 -9.645 1.00 3.24 H new ATOM 0 HB THR A 41 24.643 -6.787 -11.757 1.00 33.51 H new ATOM 0 HG1 THR A 41 25.761 -4.743 -11.511 1.00 14.45 H new ATOM 0 HG21 THR A 41 24.312 -4.975 -13.398 1.00 4.12 H new ATOM 0 HG22 THR A 41 22.828 -5.930 -13.164 1.00 4.12 H new ATOM 0 HG23 THR A 41 22.983 -4.327 -12.407 1.00 4.12 H new ATOM 636 N GLU A 42 21.340 -4.514 -10.411 1.00 52.03 N ATOM 637 CA GLU A 42 20.684 -3.302 -9.935 1.00 51.21 C ATOM 638 C GLU A 42 19.573 -3.638 -8.945 1.00 13.34 C ATOM 639 O GLU A 42 18.608 -2.887 -8.798 1.00 4.50 O ATOM 640 CB GLU A 42 20.111 -2.509 -11.112 1.00 32.50 C ATOM 641 CG GLU A 42 21.126 -1.603 -11.788 1.00 22.42 C ATOM 642 CD GLU A 42 20.672 -1.138 -13.158 1.00 24.32 C ATOM 643 OE1 GLU A 42 19.597 -0.510 -13.244 1.00 14.30 O ATOM 644 OE2 GLU A 42 21.392 -1.403 -14.143 1.00 40.13 O ATOM 0 H GLU A 42 20.875 -4.964 -11.200 1.00 52.03 H new ATOM 0 HA GLU A 42 21.430 -2.693 -9.425 1.00 51.21 H new ATOM 0 HB2 GLU A 42 19.712 -3.206 -11.849 1.00 32.50 H new ATOM 0 HB3 GLU A 42 19.275 -1.905 -10.759 1.00 32.50 H new ATOM 0 HG2 GLU A 42 21.310 -0.734 -11.156 1.00 22.42 H new ATOM 0 HG3 GLU A 42 22.074 -2.133 -11.884 1.00 22.42 H new ATOM 651 N VAL A 43 19.715 -4.772 -8.267 1.00 71.51 N ATOM 652 CA VAL A 43 18.725 -5.209 -7.290 1.00 54.21 C ATOM 653 C VAL A 43 19.350 -5.371 -5.909 1.00 75.31 C ATOM 654 O VAL A 43 18.830 -6.097 -5.062 1.00 71.05 O ATOM 655 CB VAL A 43 18.074 -6.541 -7.707 1.00 70.21 C ATOM 656 CG1 VAL A 43 19.026 -7.701 -7.460 1.00 24.11 C ATOM 657 CG2 VAL A 43 16.763 -6.749 -6.964 1.00 22.23 C ATOM 0 H VAL A 43 20.507 -5.405 -8.376 1.00 71.51 H new ATOM 0 HA VAL A 43 17.958 -4.436 -7.250 1.00 54.21 H new ATOM 0 HB VAL A 43 17.858 -6.501 -8.775 1.00 70.21 H new ATOM 0 HG11 VAL A 43 18.549 -8.634 -7.761 1.00 24.11 H new ATOM 0 HG12 VAL A 43 19.936 -7.555 -8.042 1.00 24.11 H new ATOM 0 HG13 VAL A 43 19.277 -7.747 -6.400 1.00 24.11 H new ATOM 0 HG21 VAL A 43 16.317 -7.695 -7.271 1.00 22.23 H new ATOM 0 HG22 VAL A 43 16.952 -6.768 -5.891 1.00 22.23 H new ATOM 0 HG23 VAL A 43 16.079 -5.933 -7.197 1.00 22.23 H new ATOM 667 N GLY A 44 20.469 -4.689 -5.688 1.00 65.42 N ATOM 668 CA GLY A 44 21.147 -4.771 -4.408 1.00 24.24 C ATOM 669 C GLY A 44 20.337 -4.160 -3.282 1.00 53.43 C ATOM 670 O GLY A 44 19.873 -4.851 -2.376 1.00 31.44 O ATOM 0 H GLY A 44 20.918 -4.081 -6.373 1.00 65.42 H new ATOM 0 HA2 GLY A 44 21.354 -5.816 -4.177 1.00 24.24 H new ATOM 0 HA3 GLY A 44 22.109 -4.263 -4.477 1.00 24.24 H new ATOM 674 N PRO A 45 20.157 -2.831 -3.331 1.00 64.31 N ATOM 675 CA PRO A 45 19.398 -2.097 -2.315 1.00 32.23 C ATOM 676 C PRO A 45 17.905 -2.400 -2.376 1.00 55.41 C ATOM 677 O PRO A 45 17.175 -2.173 -1.410 1.00 41.14 O ATOM 678 CB PRO A 45 19.661 -0.631 -2.665 1.00 43.44 C ATOM 679 CG PRO A 45 19.979 -0.640 -4.121 1.00 30.41 C ATOM 680 CD PRO A 45 20.682 -1.944 -4.383 1.00 12.34 C ATOM 0 HA PRO A 45 19.702 -2.369 -1.304 1.00 32.23 H new ATOM 0 HB2 PRO A 45 18.790 -0.011 -2.454 1.00 43.44 H new ATOM 0 HB3 PRO A 45 20.488 -0.227 -2.082 1.00 43.44 H new ATOM 0 HG2 PRO A 45 19.071 -0.559 -4.719 1.00 30.41 H new ATOM 0 HG3 PRO A 45 20.613 0.206 -4.387 1.00 30.41 H new ATOM 0 HD2 PRO A 45 20.461 -2.327 -5.379 1.00 12.34 H new ATOM 0 HD3 PRO A 45 21.765 -1.838 -4.316 1.00 12.34 H new ATOM 688 N TYR A 46 17.456 -2.913 -3.516 1.00 41.34 N ATOM 689 CA TYR A 46 16.049 -3.244 -3.704 1.00 73.40 C ATOM 690 C TYR A 46 15.780 -4.703 -3.346 1.00 3.11 C ATOM 691 O TYR A 46 14.987 -5.378 -4.001 1.00 42.23 O ATOM 692 CB TYR A 46 15.629 -2.977 -5.150 1.00 75.13 C ATOM 693 CG TYR A 46 15.865 -1.552 -5.596 1.00 45.21 C ATOM 694 CD1 TYR A 46 15.319 -0.484 -4.894 1.00 45.03 C ATOM 695 CD2 TYR A 46 16.634 -1.273 -6.719 1.00 42.12 C ATOM 696 CE1 TYR A 46 15.533 0.820 -5.298 1.00 74.11 C ATOM 697 CE2 TYR A 46 16.854 0.028 -7.130 1.00 32.25 C ATOM 698 CZ TYR A 46 16.301 1.071 -6.416 1.00 33.41 C ATOM 699 OH TYR A 46 16.516 2.368 -6.822 1.00 70.42 O ATOM 0 H TYR A 46 18.047 -3.109 -4.324 1.00 41.34 H new ATOM 0 HA TYR A 46 15.461 -2.611 -3.039 1.00 73.40 H new ATOM 0 HB2 TYR A 46 16.177 -3.650 -5.809 1.00 75.13 H new ATOM 0 HB3 TYR A 46 14.571 -3.213 -5.262 1.00 75.13 H new ATOM 0 HD1 TYR A 46 14.717 -0.676 -4.018 1.00 45.03 H new ATOM 0 HD2 TYR A 46 17.068 -2.087 -7.281 1.00 42.12 H new ATOM 0 HE1 TYR A 46 15.101 1.638 -4.741 1.00 74.11 H new ATOM 0 HE2 TYR A 46 17.455 0.227 -8.005 1.00 32.25 H new ATOM 0 HH TYR A 46 17.078 2.371 -7.625 1.00 70.42 H new ATOM 709 N GLU A 47 16.448 -5.181 -2.300 1.00 73.24 N ATOM 710 CA GLU A 47 16.282 -6.560 -1.855 1.00 14.44 C ATOM 711 C GLU A 47 15.448 -6.622 -0.578 1.00 54.02 C ATOM 712 O GLU A 47 14.516 -7.419 -0.471 1.00 75.14 O ATOM 713 CB GLU A 47 17.646 -7.210 -1.618 1.00 21.34 C ATOM 714 CG GLU A 47 18.228 -7.873 -2.855 1.00 54.01 C ATOM 715 CD GLU A 47 18.348 -9.378 -2.709 1.00 52.52 C ATOM 716 OE1 GLU A 47 19.285 -9.957 -3.298 1.00 13.02 O ATOM 717 OE2 GLU A 47 17.506 -9.975 -2.007 1.00 73.34 O ATOM 0 H GLU A 47 17.108 -4.635 -1.746 1.00 73.24 H new ATOM 0 HA GLU A 47 15.758 -7.108 -2.638 1.00 14.44 H new ATOM 0 HB2 GLU A 47 18.343 -6.452 -1.261 1.00 21.34 H new ATOM 0 HB3 GLU A 47 17.552 -7.955 -0.827 1.00 21.34 H new ATOM 0 HG2 GLU A 47 17.599 -7.644 -3.715 1.00 54.01 H new ATOM 0 HG3 GLU A 47 19.212 -7.452 -3.059 1.00 54.01 H new ATOM 724 N ASP A 48 15.790 -5.776 0.387 1.00 22.00 N ATOM 725 CA ASP A 48 15.074 -5.734 1.656 1.00 13.45 C ATOM 726 C ASP A 48 13.946 -4.707 1.610 1.00 23.11 C ATOM 727 O ASP A 48 12.849 -4.950 2.114 1.00 2.33 O ATOM 728 CB ASP A 48 16.035 -5.402 2.799 1.00 65.05 C ATOM 729 CG ASP A 48 17.398 -6.041 2.612 1.00 35.24 C ATOM 730 OD1 ASP A 48 18.368 -5.302 2.344 1.00 34.22 O ATOM 731 OD2 ASP A 48 17.493 -7.281 2.734 1.00 4.42 O ATOM 0 H ASP A 48 16.559 -5.110 0.315 1.00 22.00 H new ATOM 0 HA ASP A 48 14.639 -6.718 1.831 1.00 13.45 H new ATOM 0 HB2 ASP A 48 16.150 -4.320 2.871 1.00 65.05 H new ATOM 0 HB3 ASP A 48 15.605 -5.740 3.742 1.00 65.05 H new ATOM 736 N THR A 49 14.224 -3.558 1.002 1.00 12.43 N ATOM 737 CA THR A 49 13.235 -2.493 0.892 1.00 74.11 C ATOM 738 C THR A 49 11.947 -3.003 0.254 1.00 1.24 C ATOM 739 O THR A 49 10.871 -2.904 0.843 1.00 72.51 O ATOM 740 CB THR A 49 13.771 -1.311 0.063 1.00 65.00 C ATOM 741 OG1 THR A 49 14.517 -1.798 -1.059 1.00 0.35 O ATOM 742 CG2 THR A 49 14.655 -0.411 0.913 1.00 12.34 C ATOM 0 H THR A 49 15.126 -3.341 0.578 1.00 12.43 H new ATOM 0 HA THR A 49 13.026 -2.151 1.905 1.00 74.11 H new ATOM 0 HB THR A 49 12.920 -0.729 -0.291 1.00 65.00 H new ATOM 0 HG1 THR A 49 15.472 -1.802 -0.840 1.00 0.35 H new ATOM 0 HG21 THR A 49 15.022 0.417 0.306 1.00 12.34 H new ATOM 0 HG22 THR A 49 14.077 -0.019 1.750 1.00 12.34 H new ATOM 0 HG23 THR A 49 15.500 -0.985 1.293 1.00 12.34 H new ATOM 750 N ALA A 50 12.065 -3.548 -0.952 1.00 22.43 N ATOM 751 CA ALA A 50 10.911 -4.076 -1.668 1.00 35.23 C ATOM 752 C ALA A 50 10.193 -5.140 -0.843 1.00 55.55 C ATOM 753 O ALA A 50 10.601 -5.453 0.275 1.00 44.42 O ATOM 754 CB ALA A 50 11.339 -4.647 -3.011 1.00 74.25 C ATOM 0 H ALA A 50 12.949 -3.635 -1.454 1.00 22.43 H new ATOM 0 HA ALA A 50 10.215 -3.255 -1.840 1.00 35.23 H new ATOM 0 HB1 ALA A 50 10.467 -5.038 -3.535 1.00 74.25 H new ATOM 0 HB2 ALA A 50 11.800 -3.862 -3.610 1.00 74.25 H new ATOM 0 HB3 ALA A 50 12.057 -5.451 -2.852 1.00 74.25 H new ATOM 760 N ASP A 51 9.121 -5.691 -1.402 1.00 52.43 N ATOM 761 CA ASP A 51 8.346 -6.720 -0.719 1.00 12.43 C ATOM 762 C ASP A 51 8.398 -8.038 -1.485 1.00 11.24 C ATOM 763 O ASP A 51 8.525 -9.109 -0.890 1.00 75.10 O ATOM 764 CB ASP A 51 6.894 -6.269 -0.553 1.00 53.30 C ATOM 765 CG ASP A 51 6.683 -5.443 0.701 1.00 43.12 C ATOM 766 OD1 ASP A 51 7.681 -4.923 1.243 1.00 70.32 O ATOM 767 OD2 ASP A 51 5.521 -5.317 1.141 1.00 41.13 O ATOM 0 H ASP A 51 8.769 -5.442 -2.326 1.00 52.43 H new ATOM 0 HA ASP A 51 8.785 -6.876 0.267 1.00 12.43 H new ATOM 0 HB2 ASP A 51 6.597 -5.685 -1.424 1.00 53.30 H new ATOM 0 HB3 ASP A 51 6.246 -7.145 -0.521 1.00 53.30 H new ATOM 772 N LEU A 52 8.298 -7.952 -2.807 1.00 23.35 N ATOM 773 CA LEU A 52 8.333 -9.139 -3.655 1.00 1.42 C ATOM 774 C LEU A 52 9.235 -8.917 -4.865 1.00 11.32 C ATOM 775 O LEU A 52 9.658 -7.793 -5.140 1.00 13.13 O ATOM 776 CB LEU A 52 6.921 -9.501 -4.117 1.00 15.12 C ATOM 777 CG LEU A 52 6.192 -10.557 -3.285 1.00 24.13 C ATOM 778 CD1 LEU A 52 6.977 -11.860 -3.270 1.00 43.42 C ATOM 779 CD2 LEU A 52 5.963 -10.054 -1.867 1.00 25.32 C ATOM 0 H LEU A 52 8.192 -7.074 -3.315 1.00 23.35 H new ATOM 0 HA LEU A 52 8.739 -9.963 -3.068 1.00 1.42 H new ATOM 0 HB2 LEU A 52 6.318 -8.593 -4.123 1.00 15.12 H new ATOM 0 HB3 LEU A 52 6.977 -9.854 -5.147 1.00 15.12 H new ATOM 0 HG LEU A 52 5.221 -10.747 -3.743 1.00 24.13 H new ATOM 0 HD11 LEU A 52 6.443 -12.600 -2.673 1.00 43.42 H new ATOM 0 HD12 LEU A 52 7.089 -12.229 -4.290 1.00 43.42 H new ATOM 0 HD13 LEU A 52 7.962 -11.686 -2.836 1.00 43.42 H new ATOM 0 HD21 LEU A 52 5.443 -10.818 -1.289 1.00 25.32 H new ATOM 0 HD22 LEU A 52 6.923 -9.836 -1.399 1.00 25.32 H new ATOM 0 HD23 LEU A 52 5.359 -9.147 -1.896 1.00 25.32 H new ATOM 791 N LEU A 53 9.524 -9.994 -5.586 1.00 22.21 N ATOM 792 CA LEU A 53 10.374 -9.917 -6.769 1.00 23.40 C ATOM 793 C LEU A 53 10.107 -11.089 -7.708 1.00 63.22 C ATOM 794 O LEU A 53 10.347 -12.245 -7.359 1.00 61.35 O ATOM 795 CB LEU A 53 11.849 -9.901 -6.362 1.00 34.24 C ATOM 796 CG LEU A 53 12.858 -10.129 -7.487 1.00 25.21 C ATOM 797 CD1 LEU A 53 12.764 -9.019 -8.522 1.00 2.22 C ATOM 798 CD2 LEU A 53 14.270 -10.220 -6.926 1.00 43.24 C ATOM 0 H LEU A 53 9.182 -10.931 -5.372 1.00 22.21 H new ATOM 0 HA LEU A 53 10.139 -8.992 -7.295 1.00 23.40 H new ATOM 0 HB2 LEU A 53 12.066 -8.940 -5.896 1.00 34.24 H new ATOM 0 HB3 LEU A 53 12.004 -10.667 -5.602 1.00 34.24 H new ATOM 0 HG LEU A 53 12.621 -11.074 -7.976 1.00 25.21 H new ATOM 0 HD11 LEU A 53 13.490 -9.199 -9.315 1.00 2.22 H new ATOM 0 HD12 LEU A 53 11.760 -9.001 -8.946 1.00 2.22 H new ATOM 0 HD13 LEU A 53 12.975 -8.060 -8.048 1.00 2.22 H new ATOM 0 HD21 LEU A 53 14.975 -10.382 -7.741 1.00 43.24 H new ATOM 0 HD22 LEU A 53 14.518 -9.292 -6.411 1.00 43.24 H new ATOM 0 HD23 LEU A 53 14.330 -11.051 -6.223 1.00 43.24 H new ATOM 810 N VAL A 54 9.611 -10.782 -8.903 1.00 23.43 N ATOM 811 CA VAL A 54 9.315 -11.809 -9.894 1.00 71.52 C ATOM 812 C VAL A 54 10.479 -11.993 -10.861 1.00 4.51 C ATOM 813 O VAL A 54 10.890 -11.052 -11.542 1.00 23.04 O ATOM 814 CB VAL A 54 8.046 -11.466 -10.696 1.00 55.21 C ATOM 815 CG1 VAL A 54 7.767 -12.536 -11.740 1.00 62.33 C ATOM 816 CG2 VAL A 54 6.856 -11.297 -9.763 1.00 72.32 C ATOM 0 H VAL A 54 9.406 -9.830 -9.208 1.00 23.43 H new ATOM 0 HA VAL A 54 9.151 -12.737 -9.347 1.00 71.52 H new ATOM 0 HB VAL A 54 8.210 -10.521 -11.215 1.00 55.21 H new ATOM 0 HG11 VAL A 54 6.866 -12.276 -12.296 1.00 62.33 H new ATOM 0 HG12 VAL A 54 8.611 -12.603 -12.427 1.00 62.33 H new ATOM 0 HG13 VAL A 54 7.623 -13.497 -11.246 1.00 62.33 H new ATOM 0 HG21 VAL A 54 5.968 -11.055 -10.346 1.00 72.32 H new ATOM 0 HG22 VAL A 54 6.689 -12.224 -9.215 1.00 72.32 H new ATOM 0 HG23 VAL A 54 7.058 -10.491 -9.058 1.00 72.32 H new ATOM 826 N THR A 55 11.009 -13.211 -10.917 1.00 52.24 N ATOM 827 CA THR A 55 12.127 -13.518 -11.800 1.00 71.12 C ATOM 828 C THR A 55 12.037 -14.947 -12.324 1.00 50.45 C ATOM 829 O THR A 55 11.399 -15.805 -11.713 1.00 44.03 O ATOM 830 CB THR A 55 13.477 -13.331 -11.083 1.00 1.41 C ATOM 831 OG1 THR A 55 14.548 -13.743 -11.939 1.00 42.33 O ATOM 832 CG2 THR A 55 13.518 -14.131 -9.790 1.00 5.33 C ATOM 0 H THR A 55 10.682 -14.001 -10.361 1.00 52.24 H new ATOM 0 HA THR A 55 12.069 -12.822 -12.637 1.00 71.12 H new ATOM 0 HB THR A 55 13.592 -12.274 -10.842 1.00 1.41 H new ATOM 0 HG1 THR A 55 14.707 -13.055 -12.618 1.00 42.33 H new ATOM 0 HG21 THR A 55 14.481 -13.983 -9.301 1.00 5.33 H new ATOM 0 HG22 THR A 55 12.720 -13.794 -9.128 1.00 5.33 H new ATOM 0 HG23 THR A 55 13.383 -15.189 -10.013 1.00 5.33 H new ATOM 840 N THR A 56 12.680 -15.197 -13.461 1.00 2.22 N ATOM 841 CA THR A 56 12.672 -16.522 -14.068 1.00 4.22 C ATOM 842 C THR A 56 14.076 -17.113 -14.115 1.00 25.44 C ATOM 843 O THR A 56 14.254 -18.326 -13.999 1.00 55.34 O ATOM 844 CB THR A 56 12.096 -16.482 -15.496 1.00 24.22 C ATOM 845 OG1 THR A 56 12.344 -17.727 -16.158 1.00 74.35 O ATOM 846 CG2 THR A 56 12.712 -15.345 -16.296 1.00 45.34 C ATOM 0 H THR A 56 13.213 -14.499 -13.980 1.00 2.22 H new ATOM 0 HA THR A 56 12.036 -17.151 -13.445 1.00 4.22 H new ATOM 0 HB THR A 56 11.021 -16.315 -15.427 1.00 24.22 H new ATOM 0 HG1 THR A 56 11.974 -17.695 -17.065 1.00 74.35 H new ATOM 0 HG21 THR A 56 12.290 -15.337 -17.301 1.00 45.34 H new ATOM 0 HG22 THR A 56 12.497 -14.396 -15.804 1.00 45.34 H new ATOM 0 HG23 THR A 56 13.791 -15.486 -16.357 1.00 45.34 H new ATOM 854 N ALA A 57 15.072 -16.250 -14.284 1.00 2.44 N ATOM 855 CA ALA A 57 16.461 -16.687 -14.343 1.00 23.13 C ATOM 856 C ALA A 57 16.874 -17.382 -13.049 1.00 53.42 C ATOM 857 O ALA A 57 16.049 -17.602 -12.162 1.00 65.34 O ATOM 858 CB ALA A 57 17.376 -15.504 -14.623 1.00 52.14 C ATOM 0 H ALA A 57 14.942 -15.243 -14.383 1.00 2.44 H new ATOM 0 HA ALA A 57 16.555 -17.406 -15.157 1.00 23.13 H new ATOM 0 HB1 ALA A 57 18.410 -15.846 -14.664 1.00 52.14 H new ATOM 0 HB2 ALA A 57 17.105 -15.052 -15.577 1.00 52.14 H new ATOM 0 HB3 ALA A 57 17.269 -14.765 -13.828 1.00 52.14 H new ATOM 954 N TYR A 63 17.833 -14.687 -1.217 1.00 0.42 N ATOM 955 CA TYR A 63 16.801 -13.659 -1.277 1.00 52.43 C ATOM 956 C TYR A 63 16.064 -13.548 0.054 1.00 53.22 C ATOM 957 O TYR A 63 15.828 -14.548 0.732 1.00 12.22 O ATOM 958 CB TYR A 63 15.808 -13.969 -2.399 1.00 12.34 C ATOM 959 CG TYR A 63 16.335 -13.651 -3.780 1.00 0.55 C ATOM 960 CD1 TYR A 63 16.528 -14.656 -4.719 1.00 43.22 C ATOM 961 CD2 TYR A 63 16.641 -12.345 -4.144 1.00 72.34 C ATOM 962 CE1 TYR A 63 17.010 -14.370 -5.982 1.00 25.10 C ATOM 963 CE2 TYR A 63 17.122 -12.050 -5.405 1.00 70.22 C ATOM 964 CZ TYR A 63 17.305 -13.066 -6.320 1.00 43.23 C ATOM 965 OH TYR A 63 17.786 -12.776 -7.577 1.00 32.12 O ATOM 0 HA TYR A 63 17.286 -12.705 -1.483 1.00 52.43 H new ATOM 0 HB2 TYR A 63 15.542 -15.025 -2.355 1.00 12.34 H new ATOM 0 HB3 TYR A 63 14.893 -13.402 -2.229 1.00 12.34 H new ATOM 0 HD1 TYR A 63 16.297 -15.678 -4.458 1.00 43.22 H new ATOM 0 HD2 TYR A 63 16.500 -11.548 -3.429 1.00 72.34 H new ATOM 0 HE1 TYR A 63 17.155 -15.163 -6.700 1.00 25.10 H new ATOM 0 HE2 TYR A 63 17.353 -11.030 -5.673 1.00 70.22 H new ATOM 0 HH TYR A 63 17.942 -11.811 -7.653 1.00 32.12 H new ATOM 975 N LYS A 64 15.701 -12.323 0.422 1.00 63.54 N ATOM 976 CA LYS A 64 14.989 -12.079 1.670 1.00 11.50 C ATOM 977 C LYS A 64 13.491 -11.936 1.423 1.00 75.24 C ATOM 978 O LYS A 64 12.817 -11.138 2.074 1.00 53.31 O ATOM 979 CB LYS A 64 15.527 -10.817 2.349 1.00 54.31 C ATOM 980 CG LYS A 64 16.918 -10.986 2.933 1.00 65.33 C ATOM 981 CD LYS A 64 16.864 -11.481 4.368 1.00 5.25 C ATOM 982 CE LYS A 64 16.817 -13.000 4.433 1.00 1.34 C ATOM 983 NZ LYS A 64 17.219 -13.510 5.773 1.00 20.42 N ATOM 0 H LYS A 64 15.889 -11.484 -0.127 1.00 63.54 H new ATOM 0 HA LYS A 64 15.151 -12.935 2.325 1.00 11.50 H new ATOM 0 HB2 LYS A 64 15.543 -10.003 1.624 1.00 54.31 H new ATOM 0 HB3 LYS A 64 14.842 -10.522 3.144 1.00 54.31 H new ATOM 0 HG2 LYS A 64 17.486 -11.691 2.325 1.00 65.33 H new ATOM 0 HG3 LYS A 64 17.448 -10.034 2.895 1.00 65.33 H new ATOM 0 HD2 LYS A 64 17.737 -11.119 4.912 1.00 5.25 H new ATOM 0 HD3 LYS A 64 15.986 -11.067 4.864 1.00 5.25 H new ATOM 0 HE2 LYS A 64 15.808 -13.342 4.202 1.00 1.34 H new ATOM 0 HE3 LYS A 64 17.477 -13.417 3.673 1.00 1.34 H new ATOM 0 HZ1 LYS A 64 17.174 -14.549 5.777 1.00 20.42 H new ATOM 0 HZ2 LYS A 64 18.191 -13.205 5.983 1.00 20.42 H new ATOM 0 HZ3 LYS A 64 16.573 -13.133 6.496 1.00 20.42 H new ATOM 997 N PHE A 65 12.975 -12.716 0.479 1.00 74.44 N ATOM 998 CA PHE A 65 11.555 -12.677 0.146 1.00 63.33 C ATOM 999 C PHE A 65 11.154 -13.903 -0.669 1.00 71.24 C ATOM 1000 O PHE A 65 11.982 -14.554 -1.308 1.00 14.04 O ATOM 1001 CB PHE A 65 11.228 -11.403 -0.634 1.00 54.54 C ATOM 1002 CG PHE A 65 12.260 -11.049 -1.666 1.00 62.02 C ATOM 1003 CD1 PHE A 65 12.977 -9.867 -1.572 1.00 30.13 C ATOM 1004 CD2 PHE A 65 12.514 -11.899 -2.731 1.00 53.41 C ATOM 1005 CE1 PHE A 65 13.928 -9.539 -2.519 1.00 42.14 C ATOM 1006 CE2 PHE A 65 13.464 -11.576 -3.681 1.00 51.14 C ATOM 1007 CZ PHE A 65 14.171 -10.394 -3.576 1.00 61.12 C ATOM 0 H PHE A 65 13.518 -13.383 -0.069 1.00 74.44 H new ATOM 0 HA PHE A 65 10.988 -12.680 1.077 1.00 63.33 H new ATOM 0 HB2 PHE A 65 10.262 -11.525 -1.125 1.00 54.54 H new ATOM 0 HB3 PHE A 65 11.127 -10.574 0.066 1.00 54.54 H new ATOM 0 HD1 PHE A 65 12.790 -9.194 -0.748 1.00 30.13 H new ATOM 0 HD2 PHE A 65 11.963 -12.824 -2.819 1.00 53.41 H new ATOM 0 HE1 PHE A 65 14.481 -8.615 -2.433 1.00 42.14 H new ATOM 0 HE2 PHE A 65 13.654 -12.247 -4.505 1.00 51.14 H new ATOM 0 HZ PHE A 65 14.912 -10.139 -4.319 1.00 61.12 H new ATOM 1017 N PRO A 66 9.853 -14.227 -0.648 1.00 35.21 N ATOM 1018 CA PRO A 66 9.311 -15.376 -1.379 1.00 73.41 C ATOM 1019 C PRO A 66 9.334 -15.166 -2.889 1.00 50.02 C ATOM 1020 O PRO A 66 8.317 -14.826 -3.495 1.00 23.24 O ATOM 1021 CB PRO A 66 7.869 -15.470 -0.874 1.00 54.04 C ATOM 1022 CG PRO A 66 7.531 -14.087 -0.434 1.00 71.41 C ATOM 1023 CD PRO A 66 8.810 -13.496 0.091 1.00 33.24 C ATOM 0 HA PRO A 66 9.896 -16.280 -1.209 1.00 73.41 H new ATOM 0 HB2 PRO A 66 7.196 -15.811 -1.660 1.00 54.04 H new ATOM 0 HB3 PRO A 66 7.783 -16.179 -0.051 1.00 54.04 H new ATOM 0 HG2 PRO A 66 7.140 -13.498 -1.264 1.00 71.41 H new ATOM 0 HG3 PRO A 66 6.761 -14.100 0.338 1.00 71.41 H new ATOM 0 HD2 PRO A 66 8.863 -12.423 -0.095 1.00 33.24 H new ATOM 0 HD3 PRO A 66 8.906 -13.638 1.167 1.00 33.24 H new ATOM 1031 N VAL A 67 10.501 -15.371 -3.493 1.00 14.43 N ATOM 1032 CA VAL A 67 10.656 -15.205 -4.933 1.00 13.21 C ATOM 1033 C VAL A 67 9.595 -15.992 -5.694 1.00 62.21 C ATOM 1034 O VAL A 67 9.172 -17.064 -5.259 1.00 41.23 O ATOM 1035 CB VAL A 67 12.051 -15.657 -5.403 1.00 20.01 C ATOM 1036 CG1 VAL A 67 12.218 -15.410 -6.894 1.00 45.33 C ATOM 1037 CG2 VAL A 67 13.137 -14.944 -4.611 1.00 34.24 C ATOM 0 H VAL A 67 11.352 -15.652 -3.007 1.00 14.43 H new ATOM 0 HA VAL A 67 10.537 -14.142 -5.144 1.00 13.21 H new ATOM 0 HB VAL A 67 12.146 -16.728 -5.224 1.00 20.01 H new ATOM 0 HG11 VAL A 67 13.210 -15.736 -7.208 1.00 45.33 H new ATOM 0 HG12 VAL A 67 11.461 -15.971 -7.443 1.00 45.33 H new ATOM 0 HG13 VAL A 67 12.103 -14.346 -7.102 1.00 45.33 H new ATOM 0 HG21 VAL A 67 14.116 -15.276 -4.956 1.00 34.24 H new ATOM 0 HG22 VAL A 67 13.046 -13.868 -4.757 1.00 34.24 H new ATOM 0 HG23 VAL A 67 13.028 -15.177 -3.552 1.00 34.24 H new ATOM 1047 N ILE A 68 9.170 -15.454 -6.832 1.00 61.12 N ATOM 1048 CA ILE A 68 8.160 -16.108 -7.655 1.00 52.40 C ATOM 1049 C ILE A 68 8.706 -16.434 -9.041 1.00 25.44 C ATOM 1050 O ILE A 68 8.859 -15.551 -9.883 1.00 3.22 O ATOM 1051 CB ILE A 68 6.903 -15.231 -7.805 1.00 53.42 C ATOM 1052 CG1 ILE A 68 6.441 -14.725 -6.437 1.00 51.51 C ATOM 1053 CG2 ILE A 68 5.791 -16.011 -8.490 1.00 70.41 C ATOM 1054 CD1 ILE A 68 6.005 -15.829 -5.500 1.00 21.01 C ATOM 0 H ILE A 68 9.509 -14.567 -7.205 1.00 61.12 H new ATOM 0 HA ILE A 68 7.890 -17.034 -7.147 1.00 52.40 H new ATOM 0 HB ILE A 68 7.151 -14.370 -8.425 1.00 53.42 H new ATOM 0 HG12 ILE A 68 7.253 -14.165 -5.973 1.00 51.51 H new ATOM 0 HG13 ILE A 68 5.613 -14.030 -6.576 1.00 51.51 H new ATOM 0 HG21 ILE A 68 4.910 -15.377 -8.589 1.00 70.41 H new ATOM 0 HG22 ILE A 68 6.124 -16.326 -9.479 1.00 70.41 H new ATOM 0 HG23 ILE A 68 5.542 -16.889 -7.894 1.00 70.41 H new ATOM 0 HD11 ILE A 68 5.691 -15.397 -4.550 1.00 21.01 H new ATOM 0 HD12 ILE A 68 5.172 -16.375 -5.943 1.00 21.01 H new ATOM 0 HD13 ILE A 68 6.837 -16.512 -5.330 1.00 21.01 H new ATOM 1066 N ASN A 69 8.998 -17.711 -9.270 1.00 13.31 N ATOM 1067 CA ASN A 69 9.526 -18.155 -10.554 1.00 64.24 C ATOM 1068 C ASN A 69 8.599 -17.747 -11.695 1.00 32.21 C ATOM 1069 O ASN A 69 7.406 -18.049 -11.676 1.00 52.53 O ATOM 1070 CB ASN A 69 9.715 -19.674 -10.554 1.00 1.51 C ATOM 1071 CG ASN A 69 10.383 -20.173 -9.287 1.00 40.32 C ATOM 1072 OD1 ASN A 69 9.767 -20.213 -8.222 1.00 21.20 O ATOM 1073 ND2 ASN A 69 11.650 -20.556 -9.398 1.00 13.42 N ATOM 0 H ASN A 69 8.878 -18.455 -8.583 1.00 13.31 H new ATOM 0 HA ASN A 69 10.493 -17.675 -10.706 1.00 64.24 H new ATOM 0 HB2 ASN A 69 8.745 -20.158 -10.665 1.00 1.51 H new ATOM 0 HB3 ASN A 69 10.316 -19.963 -11.416 1.00 1.51 H new ATOM 0 HD21 ASN A 69 12.152 -20.901 -8.580 1.00 13.42 H new ATOM 0 HD22 ASN A 69 12.121 -20.505 -10.301 1.00 13.42 H new ATOM 1080 N ALA A 70 9.156 -17.060 -12.687 1.00 22.43 N ATOM 1081 CA ALA A 70 8.380 -16.613 -13.837 1.00 23.32 C ATOM 1082 C ALA A 70 8.572 -17.549 -15.026 1.00 32.25 C ATOM 1083 O ALA A 70 8.634 -17.106 -16.173 1.00 34.34 O ATOM 1084 CB ALA A 70 8.768 -15.191 -14.214 1.00 72.34 C ATOM 0 H ALA A 70 10.142 -16.801 -12.717 1.00 22.43 H new ATOM 0 HA ALA A 70 7.325 -16.630 -13.562 1.00 23.32 H new ATOM 0 HB1 ALA A 70 8.181 -14.870 -15.074 1.00 72.34 H new ATOM 0 HB2 ALA A 70 8.573 -14.526 -13.373 1.00 72.34 H new ATOM 0 HB3 ALA A 70 9.828 -15.158 -14.465 1.00 72.34 H new ATOM 1090 N ARG A 71 8.666 -18.845 -14.744 1.00 11.53 N ATOM 1091 CA ARG A 71 8.852 -19.842 -15.790 1.00 65.41 C ATOM 1092 C ARG A 71 7.667 -19.850 -16.751 1.00 63.53 C ATOM 1093 O ARG A 71 7.836 -20.013 -17.959 1.00 22.01 O ATOM 1094 CB ARG A 71 9.032 -21.231 -15.174 1.00 5.01 C ATOM 1095 CG ARG A 71 10.057 -21.271 -14.051 1.00 75.14 C ATOM 1096 CD ARG A 71 11.410 -20.755 -14.514 1.00 2.03 C ATOM 1097 NE ARG A 71 12.514 -21.476 -13.886 1.00 63.11 N ATOM 1098 CZ ARG A 71 12.817 -22.740 -14.161 1.00 41.00 C ATOM 1099 NH1 ARG A 71 12.102 -23.419 -15.048 1.00 5.50 N ATOM 1100 NH2 ARG A 71 13.837 -23.327 -13.548 1.00 61.44 N ATOM 0 H ARG A 71 8.616 -19.228 -13.800 1.00 11.53 H new ATOM 0 HA ARG A 71 9.750 -19.581 -16.350 1.00 65.41 H new ATOM 0 HB2 ARG A 71 8.072 -21.576 -14.791 1.00 5.01 H new ATOM 0 HB3 ARG A 71 9.333 -21.929 -15.955 1.00 5.01 H new ATOM 0 HG2 ARG A 71 9.704 -20.670 -13.213 1.00 75.14 H new ATOM 0 HG3 ARG A 71 10.161 -22.293 -13.688 1.00 75.14 H new ATOM 0 HD2 ARG A 71 11.484 -20.851 -15.597 1.00 2.03 H new ATOM 0 HD3 ARG A 71 11.492 -19.693 -14.282 1.00 2.03 H new ATOM 0 HE ARG A 71 13.083 -20.982 -13.199 1.00 63.11 H new ATOM 0 HH11 ARG A 71 11.317 -22.971 -15.521 1.00 5.50 H new ATOM 0 HH12 ARG A 71 12.337 -24.389 -15.257 1.00 5.50 H new ATOM 0 HH21 ARG A 71 14.389 -22.808 -12.865 1.00 61.44 H new ATOM 0 HH22 ARG A 71 14.069 -24.297 -13.760 1.00 61.44 H new ATOM 1114 N ASN A 72 6.468 -19.674 -16.206 1.00 23.44 N ATOM 1115 CA ASN A 72 5.255 -19.662 -17.014 1.00 72.54 C ATOM 1116 C ASN A 72 5.302 -18.542 -18.049 1.00 73.42 C ATOM 1117 O ASN A 72 4.849 -18.710 -19.182 1.00 2.30 O ATOM 1118 CB ASN A 72 4.023 -19.496 -16.122 1.00 5.24 C ATOM 1119 CG ASN A 72 2.940 -20.510 -16.435 1.00 44.11 C ATOM 1120 OD1 ASN A 72 3.225 -21.619 -16.887 1.00 62.12 O ATOM 1121 ND2 ASN A 72 1.690 -20.133 -16.196 1.00 52.30 N ATOM 0 H ASN A 72 6.311 -19.538 -15.207 1.00 23.44 H new ATOM 0 HA ASN A 72 5.189 -20.615 -17.538 1.00 72.54 H new ATOM 0 HB2 ASN A 72 4.318 -19.595 -15.077 1.00 5.24 H new ATOM 0 HB3 ASN A 72 3.622 -18.490 -16.246 1.00 5.24 H new ATOM 0 HD21 ASN A 72 0.919 -20.773 -16.387 1.00 52.30 H new ATOM 0 HD22 ASN A 72 1.500 -19.204 -15.821 1.00 52.30 H new ATOM 1128 N PHE A 73 5.853 -17.400 -17.652 1.00 72.22 N ATOM 1129 CA PHE A 73 5.959 -16.252 -18.545 1.00 0.24 C ATOM 1130 C PHE A 73 6.795 -16.594 -19.774 1.00 71.14 C ATOM 1131 O PHE A 73 6.516 -16.126 -20.879 1.00 50.30 O ATOM 1132 CB PHE A 73 6.578 -15.062 -17.808 1.00 64.20 C ATOM 1133 CG PHE A 73 5.669 -14.455 -16.778 1.00 72.15 C ATOM 1134 CD1 PHE A 73 5.550 -15.021 -15.519 1.00 63.24 C ATOM 1135 CD2 PHE A 73 4.932 -13.319 -17.070 1.00 12.40 C ATOM 1136 CE1 PHE A 73 4.714 -14.465 -14.569 1.00 45.25 C ATOM 1137 CE2 PHE A 73 4.095 -12.758 -16.124 1.00 52.40 C ATOM 1138 CZ PHE A 73 3.985 -13.332 -14.873 1.00 30.13 C ATOM 0 H PHE A 73 6.233 -17.245 -16.718 1.00 72.22 H new ATOM 0 HA PHE A 73 4.955 -15.985 -18.874 1.00 0.24 H new ATOM 0 HB2 PHE A 73 7.499 -15.385 -17.323 1.00 64.20 H new ATOM 0 HB3 PHE A 73 6.852 -14.297 -18.535 1.00 64.20 H new ATOM 0 HD1 PHE A 73 6.117 -15.907 -15.277 1.00 63.24 H new ATOM 0 HD2 PHE A 73 5.012 -12.867 -18.047 1.00 12.40 H new ATOM 0 HE1 PHE A 73 4.631 -14.916 -13.591 1.00 45.25 H new ATOM 0 HE2 PHE A 73 3.527 -11.871 -16.363 1.00 52.40 H new ATOM 0 HZ PHE A 73 3.330 -12.896 -14.133 1.00 30.13 H new ATOM 1148 N LEU A 74 7.821 -17.413 -19.575 1.00 65.41 N ATOM 1149 CA LEU A 74 8.700 -17.819 -20.667 1.00 32.21 C ATOM 1150 C LEU A 74 8.120 -19.014 -21.417 1.00 54.21 C ATOM 1151 O LEU A 74 8.261 -19.124 -22.636 1.00 35.34 O ATOM 1152 CB LEU A 74 10.089 -18.166 -20.128 1.00 73.32 C ATOM 1153 CG LEU A 74 11.264 -17.867 -21.060 1.00 31.24 C ATOM 1154 CD1 LEU A 74 11.490 -16.367 -21.169 1.00 73.34 C ATOM 1155 CD2 LEU A 74 12.525 -18.564 -20.568 1.00 54.42 C ATOM 0 H LEU A 74 8.065 -17.810 -18.668 1.00 65.41 H new ATOM 0 HA LEU A 74 8.785 -16.984 -21.362 1.00 32.21 H new ATOM 0 HB2 LEU A 74 10.242 -17.621 -19.197 1.00 73.32 H new ATOM 0 HB3 LEU A 74 10.107 -19.228 -19.883 1.00 73.32 H new ATOM 0 HG LEU A 74 11.024 -18.251 -22.052 1.00 31.24 H new ATOM 0 HD11 LEU A 74 12.330 -16.173 -21.836 1.00 73.34 H new ATOM 0 HD12 LEU A 74 10.593 -15.892 -21.567 1.00 73.34 H new ATOM 0 HD13 LEU A 74 11.709 -15.959 -20.182 1.00 73.34 H new ATOM 0 HD21 LEU A 74 13.351 -18.340 -21.243 1.00 54.42 H new ATOM 0 HD22 LEU A 74 12.769 -18.210 -19.566 1.00 54.42 H new ATOM 0 HD23 LEU A 74 12.359 -19.641 -20.542 1.00 54.42 H new ATOM 1207 N GLY A 78 0.366 -18.667 -18.615 1.00 4.13 N ATOM 1208 CA GLY A 78 -0.671 -18.819 -17.612 1.00 14.13 C ATOM 1209 C GLY A 78 -0.501 -17.859 -16.451 1.00 30.10 C ATOM 1210 O GLY A 78 -0.581 -18.259 -15.289 1.00 74.42 O ATOM 0 HA2 GLY A 78 -1.645 -18.657 -18.074 1.00 14.13 H new ATOM 0 HA3 GLY A 78 -0.662 -19.843 -17.237 1.00 14.13 H new ATOM 1214 N ILE A 79 -0.264 -16.590 -16.765 1.00 25.03 N ATOM 1215 CA ILE A 79 -0.081 -15.571 -15.738 1.00 63.34 C ATOM 1216 C ILE A 79 -1.287 -15.506 -14.807 1.00 63.15 C ATOM 1217 O ILE A 79 -1.146 -15.259 -13.610 1.00 63.13 O ATOM 1218 CB ILE A 79 0.150 -14.181 -16.360 1.00 34.01 C ATOM 1219 CG1 ILE A 79 1.331 -14.222 -17.331 1.00 3.21 C ATOM 1220 CG2 ILE A 79 0.388 -13.147 -15.270 1.00 51.41 C ATOM 1221 CD1 ILE A 79 1.556 -12.918 -18.065 1.00 33.23 C ATOM 0 H ILE A 79 -0.194 -16.243 -17.722 1.00 25.03 H new ATOM 0 HA ILE A 79 0.802 -15.855 -15.165 1.00 63.34 H new ATOM 0 HB ILE A 79 -0.743 -13.895 -16.917 1.00 34.01 H new ATOM 0 HG12 ILE A 79 2.235 -14.480 -16.780 1.00 3.21 H new ATOM 0 HG13 ILE A 79 1.165 -15.016 -18.059 1.00 3.21 H new ATOM 0 HG21 ILE A 79 0.550 -12.170 -15.725 1.00 51.41 H new ATOM 0 HG22 ILE A 79 -0.482 -13.103 -14.614 1.00 51.41 H new ATOM 0 HG23 ILE A 79 1.267 -13.427 -14.689 1.00 51.41 H new ATOM 0 HD11 ILE A 79 2.409 -13.021 -18.736 1.00 33.23 H new ATOM 0 HD12 ILE A 79 0.667 -12.668 -18.644 1.00 33.23 H new ATOM 0 HD13 ILE A 79 1.754 -12.124 -17.345 1.00 33.23 H new ATOM 1233 N GLU A 80 -2.472 -15.731 -15.366 1.00 63.33 N ATOM 1234 CA GLU A 80 -3.702 -15.699 -14.585 1.00 35.00 C ATOM 1235 C GLU A 80 -3.590 -16.595 -13.355 1.00 62.41 C ATOM 1236 O GLU A 80 -4.123 -16.278 -12.293 1.00 12.13 O ATOM 1237 CB GLU A 80 -4.890 -16.140 -15.444 1.00 3.32 C ATOM 1238 CG GLU A 80 -4.715 -17.516 -16.064 1.00 44.42 C ATOM 1239 CD GLU A 80 -5.571 -17.712 -17.300 1.00 52.40 C ATOM 1240 OE1 GLU A 80 -6.533 -18.505 -17.236 1.00 61.43 O ATOM 1241 OE2 GLU A 80 -5.279 -17.070 -18.331 1.00 73.22 O ATOM 0 H GLU A 80 -2.606 -15.937 -16.356 1.00 63.33 H new ATOM 0 HA GLU A 80 -3.864 -14.674 -14.253 1.00 35.00 H new ATOM 0 HB2 GLU A 80 -5.791 -16.139 -14.831 1.00 3.32 H new ATOM 0 HB3 GLU A 80 -5.044 -15.410 -16.238 1.00 3.32 H new ATOM 0 HG2 GLU A 80 -3.667 -17.662 -16.326 1.00 44.42 H new ATOM 0 HG3 GLU A 80 -4.968 -18.278 -15.327 1.00 44.42 H new ATOM 1248 N GLU A 81 -2.892 -17.717 -13.509 1.00 52.41 N ATOM 1249 CA GLU A 81 -2.711 -18.659 -12.412 1.00 21.53 C ATOM 1250 C GLU A 81 -1.618 -18.183 -11.460 1.00 1.44 C ATOM 1251 O GLU A 81 -1.758 -18.272 -10.239 1.00 71.13 O ATOM 1252 CB GLU A 81 -2.360 -20.047 -12.954 1.00 55.52 C ATOM 1253 CG GLU A 81 -3.381 -20.590 -13.940 1.00 32.44 C ATOM 1254 CD GLU A 81 -3.125 -22.040 -14.305 1.00 0.33 C ATOM 1255 OE1 GLU A 81 -2.467 -22.285 -15.337 1.00 4.30 O ATOM 1256 OE2 GLU A 81 -3.583 -22.929 -13.557 1.00 31.10 O ATOM 0 H GLU A 81 -2.444 -17.994 -14.382 1.00 52.41 H new ATOM 0 HA GLU A 81 -3.649 -18.718 -11.860 1.00 21.53 H new ATOM 0 HB2 GLU A 81 -1.385 -20.002 -13.440 1.00 55.52 H new ATOM 0 HB3 GLU A 81 -2.268 -20.742 -12.119 1.00 55.52 H new ATOM 0 HG2 GLU A 81 -4.379 -20.498 -13.512 1.00 32.44 H new ATOM 0 HG3 GLU A 81 -3.365 -19.983 -14.845 1.00 32.44 H new ATOM 1263 N THR A 82 -0.527 -17.675 -12.026 1.00 73.53 N ATOM 1264 CA THR A 82 0.591 -17.186 -11.230 1.00 33.02 C ATOM 1265 C THR A 82 0.163 -16.029 -10.334 1.00 71.21 C ATOM 1266 O THR A 82 0.404 -16.043 -9.127 1.00 4.41 O ATOM 1267 CB THR A 82 1.757 -16.724 -12.123 1.00 64.34 C ATOM 1268 OG1 THR A 82 1.933 -17.639 -13.211 1.00 23.01 O ATOM 1269 CG2 THR A 82 3.047 -16.627 -11.322 1.00 51.13 C ATOM 0 H THR A 82 -0.395 -17.592 -13.034 1.00 73.53 H new ATOM 0 HA THR A 82 0.925 -18.018 -10.610 1.00 33.02 H new ATOM 0 HB THR A 82 1.516 -15.736 -12.515 1.00 64.34 H new ATOM 0 HG1 THR A 82 2.675 -17.337 -13.775 1.00 23.01 H new ATOM 0 HG21 THR A 82 3.856 -16.299 -11.974 1.00 51.13 H new ATOM 0 HG22 THR A 82 2.919 -15.908 -10.512 1.00 51.13 H new ATOM 0 HG23 THR A 82 3.291 -17.604 -10.905 1.00 51.13 H new ATOM 1277 N LYS A 83 -0.475 -15.028 -10.932 1.00 65.41 N ATOM 1278 CA LYS A 83 -0.939 -13.863 -10.189 1.00 23.25 C ATOM 1279 C LYS A 83 -1.767 -14.284 -8.979 1.00 22.33 C ATOM 1280 O LYS A 83 -1.721 -13.641 -7.931 1.00 12.04 O ATOM 1281 CB LYS A 83 -1.768 -12.951 -11.095 1.00 72.22 C ATOM 1282 CG LYS A 83 -1.667 -11.479 -10.734 1.00 33.44 C ATOM 1283 CD LYS A 83 -0.366 -10.871 -11.230 1.00 32.24 C ATOM 1284 CE LYS A 83 -0.077 -9.542 -10.548 1.00 62.45 C ATOM 1285 NZ LYS A 83 -1.144 -8.539 -10.814 1.00 55.23 N ATOM 0 H LYS A 83 -0.682 -15.001 -11.930 1.00 65.41 H new ATOM 0 HA LYS A 83 -0.064 -13.316 -9.837 1.00 23.25 H new ATOM 0 HB2 LYS A 83 -1.444 -13.086 -12.127 1.00 72.22 H new ATOM 0 HB3 LYS A 83 -2.813 -13.257 -11.046 1.00 72.22 H new ATOM 0 HG2 LYS A 83 -2.510 -10.939 -11.166 1.00 33.44 H new ATOM 0 HG3 LYS A 83 -1.735 -11.363 -9.652 1.00 33.44 H new ATOM 0 HD2 LYS A 83 0.455 -11.563 -11.043 1.00 32.24 H new ATOM 0 HD3 LYS A 83 -0.420 -10.724 -12.309 1.00 32.24 H new ATOM 0 HE2 LYS A 83 0.015 -9.698 -9.473 1.00 62.45 H new ATOM 0 HE3 LYS A 83 0.880 -9.155 -10.897 1.00 62.45 H new ATOM 0 HZ1 LYS A 83 -0.855 -7.615 -10.433 1.00 55.23 H new ATOM 0 HZ2 LYS A 83 -1.297 -8.458 -11.840 1.00 55.23 H new ATOM 0 HZ3 LYS A 83 -2.027 -8.841 -10.355 1.00 55.23 H new ATOM 1299 N GLN A 84 -2.521 -15.368 -9.132 1.00 22.14 N ATOM 1300 CA GLN A 84 -3.358 -15.874 -8.050 1.00 61.44 C ATOM 1301 C GLN A 84 -2.509 -16.289 -6.853 1.00 71.22 C ATOM 1302 O GLN A 84 -2.927 -16.144 -5.705 1.00 1.21 O ATOM 1303 CB GLN A 84 -4.191 -17.062 -8.536 1.00 14.24 C ATOM 1304 CG GLN A 84 -5.643 -16.711 -8.819 1.00 50.21 C ATOM 1305 CD GLN A 84 -6.615 -17.553 -8.016 1.00 64.35 C ATOM 1306 OE1 GLN A 84 -7.540 -18.149 -8.568 1.00 55.11 O ATOM 1307 NE2 GLN A 84 -6.409 -17.608 -6.706 1.00 5.02 N ATOM 0 H GLN A 84 -2.570 -15.912 -9.993 1.00 22.14 H new ATOM 0 HA GLN A 84 -4.027 -15.073 -7.736 1.00 61.44 H new ATOM 0 HB2 GLN A 84 -3.740 -17.465 -9.443 1.00 14.24 H new ATOM 0 HB3 GLN A 84 -4.156 -17.851 -7.785 1.00 14.24 H new ATOM 0 HG2 GLN A 84 -5.809 -15.658 -8.593 1.00 50.21 H new ATOM 0 HG3 GLN A 84 -5.845 -16.845 -9.882 1.00 50.21 H new ATOM 0 HE21 GLN A 84 -5.630 -17.098 -6.290 1.00 5.02 H new ATOM 0 HE22 GLN A 84 -7.030 -18.160 -6.115 1.00 5.02 H new ATOM 1316 N GLN A 85 -1.316 -16.806 -7.130 1.00 74.24 N ATOM 1317 CA GLN A 85 -0.410 -17.243 -6.075 1.00 42.03 C ATOM 1318 C GLN A 85 0.179 -16.047 -5.334 1.00 62.21 C ATOM 1319 O GLN A 85 0.159 -15.996 -4.104 1.00 31.00 O ATOM 1320 CB GLN A 85 0.714 -18.099 -6.662 1.00 4.33 C ATOM 1321 CG GLN A 85 0.217 -19.283 -7.474 1.00 73.30 C ATOM 1322 CD GLN A 85 -0.916 -20.025 -6.791 1.00 40.54 C ATOM 1323 OE1 GLN A 85 -0.694 -20.803 -5.863 1.00 43.43 O ATOM 1324 NE2 GLN A 85 -2.140 -19.786 -7.248 1.00 62.53 N ATOM 0 H GLN A 85 -0.955 -16.932 -8.076 1.00 74.24 H new ATOM 0 HA GLN A 85 -0.980 -17.842 -5.365 1.00 42.03 H new ATOM 0 HB2 GLN A 85 1.343 -17.473 -7.295 1.00 4.33 H new ATOM 0 HB3 GLN A 85 1.343 -18.464 -5.850 1.00 4.33 H new ATOM 0 HG2 GLN A 85 -0.119 -18.934 -8.450 1.00 73.30 H new ATOM 0 HG3 GLN A 85 1.044 -19.971 -7.649 1.00 73.30 H new ATOM 0 HE21 GLN A 85 -2.278 -19.133 -8.019 1.00 62.53 H new ATOM 0 HE22 GLN A 85 -2.942 -20.255 -6.827 1.00 62.53 H new ATOM 1333 N ILE A 86 0.703 -15.088 -6.090 1.00 61.42 N ATOM 1334 CA ILE A 86 1.297 -13.893 -5.504 1.00 70.13 C ATOM 1335 C ILE A 86 0.247 -13.054 -4.784 1.00 70.10 C ATOM 1336 O ILE A 86 0.467 -12.591 -3.664 1.00 23.51 O ATOM 1337 CB ILE A 86 1.986 -13.025 -6.574 1.00 24.14 C ATOM 1338 CG1 ILE A 86 3.008 -13.855 -7.354 1.00 50.52 C ATOM 1339 CG2 ILE A 86 2.656 -11.821 -5.928 1.00 31.35 C ATOM 1340 CD1 ILE A 86 2.580 -14.162 -8.772 1.00 33.51 C ATOM 0 H ILE A 86 0.728 -15.115 -7.109 1.00 61.42 H new ATOM 0 HA ILE A 86 2.044 -14.231 -4.785 1.00 70.13 H new ATOM 0 HB ILE A 86 1.230 -12.665 -7.271 1.00 24.14 H new ATOM 0 HG12 ILE A 86 3.957 -13.320 -7.377 1.00 50.52 H new ATOM 0 HG13 ILE A 86 3.183 -14.792 -6.825 1.00 50.52 H new ATOM 0 HG21 ILE A 86 3.139 -11.217 -6.697 1.00 31.35 H new ATOM 0 HG22 ILE A 86 1.906 -11.221 -5.412 1.00 31.35 H new ATOM 0 HG23 ILE A 86 3.404 -12.162 -5.212 1.00 31.35 H new ATOM 0 HD11 ILE A 86 3.352 -14.753 -9.265 1.00 33.51 H new ATOM 0 HD12 ILE A 86 1.647 -14.725 -8.757 1.00 33.51 H new ATOM 0 HD13 ILE A 86 2.433 -13.230 -9.317 1.00 33.51 H new ATOM 1352 N LEU A 87 -0.896 -12.863 -5.433 1.00 13.31 N ATOM 1353 CA LEU A 87 -1.983 -12.081 -4.854 1.00 11.42 C ATOM 1354 C LEU A 87 -2.408 -12.654 -3.506 1.00 10.33 C ATOM 1355 O LEU A 87 -3.007 -11.959 -2.684 1.00 31.11 O ATOM 1356 CB LEU A 87 -3.179 -12.049 -5.807 1.00 40.21 C ATOM 1357 CG LEU A 87 -4.357 -11.174 -5.377 1.00 32.32 C ATOM 1358 CD1 LEU A 87 -4.111 -9.722 -5.757 1.00 72.50 C ATOM 1359 CD2 LEU A 87 -5.651 -11.679 -5.999 1.00 50.42 C ATOM 0 H LEU A 87 -1.094 -13.239 -6.360 1.00 13.31 H new ATOM 0 HA LEU A 87 -1.623 -11.064 -4.699 1.00 11.42 H new ATOM 0 HB2 LEU A 87 -2.833 -11.704 -6.781 1.00 40.21 H new ATOM 0 HB3 LEU A 87 -3.540 -13.069 -5.940 1.00 40.21 H new ATOM 0 HG LEU A 87 -4.451 -11.232 -4.293 1.00 32.32 H new ATOM 0 HD11 LEU A 87 -4.960 -9.115 -5.443 1.00 72.50 H new ATOM 0 HD12 LEU A 87 -3.207 -9.365 -5.263 1.00 72.50 H new ATOM 0 HD13 LEU A 87 -3.989 -9.644 -6.837 1.00 72.50 H new ATOM 0 HD21 LEU A 87 -6.479 -11.045 -5.682 1.00 50.42 H new ATOM 0 HD22 LEU A 87 -5.568 -11.651 -7.085 1.00 50.42 H new ATOM 0 HD23 LEU A 87 -5.835 -12.704 -5.675 1.00 50.42 H new ATOM 1371 N THR A 88 -2.092 -13.926 -3.283 1.00 13.10 N ATOM 1372 CA THR A 88 -2.440 -14.592 -2.034 1.00 71.45 C ATOM 1373 C THR A 88 -1.761 -13.922 -0.846 1.00 14.14 C ATOM 1374 O THR A 88 -2.147 -14.137 0.303 1.00 53.02 O ATOM 1375 CB THR A 88 -2.046 -16.081 -2.064 1.00 23.13 C ATOM 1376 OG1 THR A 88 -2.632 -16.721 -3.203 1.00 4.11 O ATOM 1377 CG2 THR A 88 -2.496 -16.785 -0.793 1.00 33.33 C ATOM 0 H THR A 88 -1.596 -14.515 -3.951 1.00 13.10 H new ATOM 0 HA THR A 88 -3.521 -14.512 -1.923 1.00 71.45 H new ATOM 0 HB THR A 88 -0.960 -16.145 -2.131 1.00 23.13 H new ATOM 0 HG1 THR A 88 -2.328 -16.275 -4.021 1.00 4.11 H new ATOM 0 HG21 THR A 88 -2.207 -17.835 -0.837 1.00 33.33 H new ATOM 0 HG22 THR A 88 -2.025 -16.315 0.070 1.00 33.33 H new ATOM 0 HG23 THR A 88 -3.579 -16.711 -0.700 1.00 33.33 H new ATOM 1385 N GLU A 89 -0.749 -13.108 -1.129 1.00 70.24 N ATOM 1386 CA GLU A 89 -0.017 -12.406 -0.082 1.00 31.54 C ATOM 1387 C GLU A 89 -0.050 -10.898 -0.312 1.00 22.33 C ATOM 1388 O GLU A 89 -0.079 -10.114 0.638 1.00 74.30 O ATOM 1389 CB GLU A 89 1.432 -12.894 -0.027 1.00 44.33 C ATOM 1390 CG GLU A 89 2.154 -12.807 -1.361 1.00 42.44 C ATOM 1391 CD GLU A 89 3.648 -13.033 -1.232 1.00 60.14 C ATOM 1392 OE1 GLU A 89 4.226 -12.608 -0.210 1.00 52.20 O ATOM 1393 OE2 GLU A 89 4.239 -13.635 -2.153 1.00 2.10 O ATOM 0 H GLU A 89 -0.418 -12.919 -2.075 1.00 70.24 H new ATOM 0 HA GLU A 89 -0.501 -12.621 0.871 1.00 31.54 H new ATOM 0 HB2 GLU A 89 1.977 -12.305 0.711 1.00 44.33 H new ATOM 0 HB3 GLU A 89 1.446 -13.928 0.317 1.00 44.33 H new ATOM 0 HG2 GLU A 89 1.736 -13.546 -2.045 1.00 42.44 H new ATOM 0 HG3 GLU A 89 1.975 -11.827 -1.803 1.00 42.44 H new ATOM 1400 N LEU A 90 -0.044 -10.499 -1.579 1.00 3.14 N ATOM 1401 CA LEU A 90 -0.072 -9.085 -1.935 1.00 53.32 C ATOM 1402 C LEU A 90 -1.189 -8.358 -1.192 1.00 61.23 C ATOM 1403 O LEU A 90 -0.930 -7.557 -0.295 1.00 13.13 O ATOM 1404 CB LEU A 90 -0.259 -8.923 -3.445 1.00 11.32 C ATOM 1405 CG LEU A 90 0.906 -9.387 -4.319 1.00 23.20 C ATOM 1406 CD1 LEU A 90 0.625 -9.093 -5.784 1.00 74.53 C ATOM 1407 CD2 LEU A 90 2.202 -8.721 -3.879 1.00 13.10 C ATOM 0 H LEU A 90 -0.020 -11.134 -2.377 1.00 3.14 H new ATOM 0 HA LEU A 90 0.881 -8.643 -1.643 1.00 53.32 H new ATOM 0 HB2 LEU A 90 -1.151 -9.474 -3.742 1.00 11.32 H new ATOM 0 HB3 LEU A 90 -0.449 -7.871 -3.657 1.00 11.32 H new ATOM 0 HG LEU A 90 1.016 -10.465 -4.201 1.00 23.20 H new ATOM 0 HD11 LEU A 90 1.466 -9.430 -6.391 1.00 74.53 H new ATOM 0 HD12 LEU A 90 -0.279 -9.617 -6.093 1.00 74.53 H new ATOM 0 HD13 LEU A 90 0.487 -8.020 -5.920 1.00 74.53 H new ATOM 0 HD21 LEU A 90 3.020 -9.063 -4.512 1.00 13.10 H new ATOM 0 HD22 LEU A 90 2.103 -7.639 -3.967 1.00 13.10 H new ATOM 0 HD23 LEU A 90 2.412 -8.983 -2.842 1.00 13.10 H new ATOM 1419 N GLN A 91 -2.430 -8.646 -1.572 1.00 2.23 N ATOM 1420 CA GLN A 91 -3.586 -8.021 -0.940 1.00 4.52 C ATOM 1421 C GLN A 91 -4.115 -8.883 0.201 1.00 2.35 C ATOM 1422 O GLN A 91 -5.317 -8.915 0.463 1.00 35.51 O ATOM 1423 CB GLN A 91 -4.691 -7.783 -1.971 1.00 23.55 C ATOM 1424 CG GLN A 91 -5.179 -9.056 -2.643 1.00 64.51 C ATOM 1425 CD GLN A 91 -6.434 -9.612 -2.001 1.00 14.45 C ATOM 1426 OE1 GLN A 91 -7.512 -9.025 -2.107 1.00 4.51 O ATOM 1427 NE2 GLN A 91 -6.303 -10.749 -1.329 1.00 24.34 N ATOM 0 H GLN A 91 -2.660 -9.307 -2.314 1.00 2.23 H new ATOM 0 HA GLN A 91 -3.270 -7.062 -0.529 1.00 4.52 H new ATOM 0 HB2 GLN A 91 -5.534 -7.294 -1.482 1.00 23.55 H new ATOM 0 HB3 GLN A 91 -4.323 -7.097 -2.734 1.00 23.55 H new ATOM 0 HG2 GLN A 91 -5.373 -8.854 -3.696 1.00 64.51 H new ATOM 0 HG3 GLN A 91 -4.391 -9.808 -2.603 1.00 64.51 H new ATOM 0 HE21 GLN A 91 -5.391 -11.202 -1.266 1.00 24.34 H new ATOM 0 HE22 GLN A 91 -7.114 -11.170 -0.875 1.00 24.34 H new ATOM 1436 N LYS A 92 -3.209 -9.580 0.878 1.00 31.53 N ATOM 1437 CA LYS A 92 -3.583 -10.443 1.993 1.00 73.02 C ATOM 1438 C LYS A 92 -3.101 -9.860 3.317 1.00 34.24 C ATOM 1439 O LYS A 92 -3.860 -9.780 4.284 1.00 22.31 O ATOM 1440 CB LYS A 92 -3.000 -11.845 1.798 1.00 53.51 C ATOM 1441 CG LYS A 92 -3.600 -12.887 2.726 1.00 43.02 C ATOM 1442 CD LYS A 92 -2.940 -12.860 4.095 1.00 74.14 C ATOM 1443 CE LYS A 92 -3.163 -14.164 4.846 1.00 10.41 C ATOM 1444 NZ LYS A 92 -4.573 -14.305 5.305 1.00 24.50 N ATOM 0 H LYS A 92 -2.210 -9.564 0.674 1.00 31.53 H new ATOM 0 HA LYS A 92 -4.671 -10.509 2.020 1.00 73.02 H new ATOM 0 HB2 LYS A 92 -3.159 -12.155 0.765 1.00 53.51 H new ATOM 0 HB3 LYS A 92 -1.922 -11.807 1.957 1.00 53.51 H new ATOM 0 HG2 LYS A 92 -4.670 -12.707 2.833 1.00 43.02 H new ATOM 0 HG3 LYS A 92 -3.486 -13.877 2.285 1.00 43.02 H new ATOM 0 HD2 LYS A 92 -1.871 -12.682 3.981 1.00 74.14 H new ATOM 0 HD3 LYS A 92 -3.341 -12.030 4.677 1.00 74.14 H new ATOM 0 HE2 LYS A 92 -2.905 -15.004 4.200 1.00 10.41 H new ATOM 0 HE3 LYS A 92 -2.495 -14.207 5.706 1.00 10.41 H new ATOM 0 HZ1 LYS A 92 -4.684 -15.206 5.812 1.00 24.50 H new ATOM 0 HZ2 LYS A 92 -4.811 -13.518 5.941 1.00 24.50 H new ATOM 0 HZ3 LYS A 92 -5.209 -14.290 4.482 1.00 24.50 H new