USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 746 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 84 GLN :FLIP amide:sc= -0.163 X(o=-0.97,f=-0.48) USER MOD Set 1.2: A 85 GLN :FLIP amide:sc= -0.313 F(o=-1.1,f=-0.48) USER MOD Set 2.1: A 72 ASN : amide:sc= -1.49 K(o=-2.1,f=-6.4!) USER MOD Set 2.2: A 82 THR OG1 : rot -140:sc= -0.575 USER MOD Set 3.1: A 3 GLN : amide:sc= -0.0283 X(o=-0.16,f=-0.17) USER MOD Set 3.2: A 36 LYS NZ :NH3+ -151:sc= -0.13 (180deg=-0.632) USER MOD Set 4.1: A 8 CYS SG : rot -98:sc= 1.05 USER MOD Set 4.2: A 56 THR OG1 : rot -109:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0152 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 138:sc= -0.978 (180deg=-3.14!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 45:sc= 0.0383 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0719 F(o=-1.8,f=-0.072) USER MOD Single : A 20 ASN : amide:sc= -4.57! C(o=-4.6!,f=-9.8!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= -0.101 (180deg=-0.785) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.485 K(o=-0.48,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (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 180:sc= -0.074 USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.797 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.48) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0295) USER MOD Single : A 88 THR OG1 : rot 93:sc= 1.3 USER MOD Single : A 91 GLN : amide:sc= -0.255 K(o=-0.25,f=-1.3!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.811 0.634 -0.342 1.00 42.32 N ATOM 2 CA MET A 1 2.276 0.291 -1.681 1.00 72.22 C ATOM 3 C MET A 1 3.170 -0.944 -1.646 1.00 65.20 C ATOM 4 O MET A 1 3.965 -1.122 -0.723 1.00 3.24 O ATOM 5 CB MET A 1 3.035 1.467 -2.298 1.00 54.14 C ATOM 6 CG MET A 1 2.140 2.441 -3.049 1.00 22.42 C ATOM 7 SD MET A 1 3.010 3.938 -3.550 1.00 2.44 S ATOM 8 CE MET A 1 1.889 5.199 -2.948 1.00 33.43 C ATOM 0 H1 MET A 1 1.905 1.659 -0.194 1.00 42.32 H new ATOM 0 H2 MET A 1 0.813 0.360 -0.240 1.00 42.32 H new ATOM 0 H3 MET A 1 2.383 0.128 0.364 1.00 42.32 H new ATOM 0 HA MET A 1 1.403 0.069 -2.295 1.00 72.22 H new ATOM 0 HB2 MET A 1 3.561 2.004 -1.508 1.00 54.14 H new ATOM 0 HB3 MET A 1 3.793 1.082 -2.981 1.00 54.14 H new ATOM 0 HG2 MET A 1 1.734 1.948 -3.933 1.00 22.42 H new ATOM 0 HG3 MET A 1 1.294 2.711 -2.418 1.00 22.42 H new ATOM 0 HE1 MET A 1 2.290 6.185 -3.183 1.00 33.43 H new ATOM 0 HE2 MET A 1 0.917 5.080 -3.426 1.00 33.43 H new ATOM 0 HE3 MET A 1 1.777 5.101 -1.868 1.00 33.43 H new ATOM 18 N LYS A 2 3.036 -1.796 -2.657 1.00 51.20 N ATOM 19 CA LYS A 2 3.832 -3.014 -2.743 1.00 63.10 C ATOM 20 C LYS A 2 4.858 -2.915 -3.867 1.00 63.24 C ATOM 21 O LYS A 2 4.597 -3.332 -4.996 1.00 1.54 O ATOM 22 CB LYS A 2 2.925 -4.226 -2.971 1.00 5.31 C ATOM 23 CG LYS A 2 2.394 -4.837 -1.686 1.00 73.44 C ATOM 24 CD LYS A 2 3.492 -5.542 -0.908 1.00 72.41 C ATOM 25 CE LYS A 2 4.015 -6.758 -1.658 1.00 54.25 C ATOM 26 NZ LYS A 2 4.408 -7.855 -0.732 1.00 32.14 N ATOM 0 H LYS A 2 2.383 -1.665 -3.429 1.00 51.20 H new ATOM 0 HA LYS A 2 4.363 -3.138 -1.799 1.00 63.10 H new ATOM 0 HB2 LYS A 2 2.084 -3.927 -3.596 1.00 5.31 H new ATOM 0 HB3 LYS A 2 3.479 -4.985 -3.523 1.00 5.31 H new ATOM 0 HG2 LYS A 2 1.952 -4.057 -1.067 1.00 73.44 H new ATOM 0 HG3 LYS A 2 1.600 -5.546 -1.920 1.00 73.44 H new ATOM 0 HD2 LYS A 2 4.311 -4.847 -0.723 1.00 72.41 H new ATOM 0 HD3 LYS A 2 3.109 -5.850 0.065 1.00 72.41 H new ATOM 0 HE2 LYS A 2 3.248 -7.119 -2.344 1.00 54.25 H new ATOM 0 HE3 LYS A 2 4.874 -6.469 -2.264 1.00 54.25 H new ATOM 0 HZ1 LYS A 2 4.084 -8.766 -1.115 1.00 32.14 H new ATOM 0 HZ2 LYS A 2 5.443 -7.870 -0.632 1.00 32.14 H new ATOM 0 HZ3 LYS A 2 3.972 -7.696 0.199 1.00 32.14 H new ATOM 40 N GLN A 3 6.025 -2.363 -3.551 1.00 21.12 N ATOM 41 CA GLN A 3 7.090 -2.211 -4.535 1.00 71.12 C ATOM 42 C GLN A 3 7.629 -3.570 -4.968 1.00 61.42 C ATOM 43 O GLN A 3 8.379 -4.215 -4.235 1.00 3.42 O ATOM 44 CB GLN A 3 8.224 -1.358 -3.964 1.00 13.13 C ATOM 45 CG GLN A 3 9.180 -0.830 -5.021 1.00 12.41 C ATOM 46 CD GLN A 3 10.003 0.345 -4.529 1.00 34.20 C ATOM 47 OE1 GLN A 3 9.459 1.374 -4.126 1.00 74.54 O ATOM 48 NE2 GLN A 3 11.322 0.197 -4.559 1.00 11.43 N ATOM 0 H GLN A 3 6.257 -2.014 -2.621 1.00 21.12 H new ATOM 0 HA GLN A 3 6.673 -1.710 -5.409 1.00 71.12 H new ATOM 0 HB2 GLN A 3 7.796 -0.516 -3.420 1.00 13.13 H new ATOM 0 HB3 GLN A 3 8.785 -1.951 -3.242 1.00 13.13 H new ATOM 0 HG2 GLN A 3 9.849 -1.632 -5.333 1.00 12.41 H new ATOM 0 HG3 GLN A 3 8.612 -0.528 -5.901 1.00 12.41 H new ATOM 0 HE21 GLN A 3 11.730 -0.673 -4.901 1.00 11.43 H new ATOM 0 HE22 GLN A 3 11.927 0.953 -4.240 1.00 11.43 H new ATOM 57 N VAL A 4 7.242 -4.002 -6.164 1.00 55.33 N ATOM 58 CA VAL A 4 7.687 -5.284 -6.696 1.00 35.54 C ATOM 59 C VAL A 4 8.554 -5.095 -7.935 1.00 0.11 C ATOM 60 O VAL A 4 8.074 -4.658 -8.982 1.00 33.23 O ATOM 61 CB VAL A 4 6.492 -6.189 -7.052 1.00 60.11 C ATOM 62 CG1 VAL A 4 6.977 -7.525 -7.593 1.00 71.53 C ATOM 63 CG2 VAL A 4 5.595 -6.389 -5.840 1.00 23.33 C ATOM 0 H VAL A 4 6.620 -3.482 -6.783 1.00 55.33 H new ATOM 0 HA VAL A 4 8.276 -5.763 -5.914 1.00 35.54 H new ATOM 0 HB VAL A 4 5.907 -5.699 -7.831 1.00 60.11 H new ATOM 0 HG11 VAL A 4 6.119 -8.151 -7.839 1.00 71.53 H new ATOM 0 HG12 VAL A 4 7.574 -7.359 -8.490 1.00 71.53 H new ATOM 0 HG13 VAL A 4 7.586 -8.024 -6.839 1.00 71.53 H new ATOM 0 HG21 VAL A 4 4.756 -7.031 -6.110 1.00 23.33 H new ATOM 0 HG22 VAL A 4 6.166 -6.857 -5.038 1.00 23.33 H new ATOM 0 HG23 VAL A 4 5.219 -5.423 -5.502 1.00 23.33 H new ATOM 73 N LEU A 5 9.834 -5.426 -7.810 1.00 64.21 N ATOM 74 CA LEU A 5 10.771 -5.293 -8.921 1.00 32.32 C ATOM 75 C LEU A 5 10.680 -6.495 -9.856 1.00 45.10 C ATOM 76 O LEU A 5 9.980 -7.466 -9.570 1.00 54.14 O ATOM 77 CB LEU A 5 12.200 -5.149 -8.394 1.00 52.44 C ATOM 78 CG LEU A 5 12.617 -3.742 -7.962 1.00 34.40 C ATOM 79 CD1 LEU A 5 11.728 -3.246 -6.832 1.00 50.01 C ATOM 80 CD2 LEU A 5 14.079 -3.726 -7.540 1.00 14.32 C ATOM 0 H LEU A 5 10.247 -5.788 -6.951 1.00 64.21 H new ATOM 0 HA LEU A 5 10.506 -4.398 -9.483 1.00 32.32 H new ATOM 0 HB2 LEU A 5 12.322 -5.820 -7.543 1.00 52.44 H new ATOM 0 HB3 LEU A 5 12.888 -5.488 -9.169 1.00 52.44 H new ATOM 0 HG LEU A 5 12.498 -3.070 -8.812 1.00 34.40 H new ATOM 0 HD11 LEU A 5 12.039 -2.244 -6.537 1.00 50.01 H new ATOM 0 HD12 LEU A 5 10.692 -3.220 -7.169 1.00 50.01 H new ATOM 0 HD13 LEU A 5 11.815 -3.918 -5.979 1.00 50.01 H new ATOM 0 HD21 LEU A 5 14.359 -2.717 -7.236 1.00 14.32 H new ATOM 0 HD22 LEU A 5 14.224 -4.410 -6.704 1.00 14.32 H new ATOM 0 HD23 LEU A 5 14.703 -4.039 -8.377 1.00 14.32 H new ATOM 92 N VAL A 6 11.396 -6.423 -10.974 1.00 21.41 N ATOM 93 CA VAL A 6 11.400 -7.506 -11.950 1.00 74.40 C ATOM 94 C VAL A 6 12.735 -7.583 -12.681 1.00 23.32 C ATOM 95 O VAL A 6 13.108 -6.667 -13.412 1.00 52.44 O ATOM 96 CB VAL A 6 10.271 -7.334 -12.983 1.00 74.35 C ATOM 97 CG1 VAL A 6 10.296 -8.469 -13.996 1.00 41.24 C ATOM 98 CG2 VAL A 6 8.920 -7.259 -12.288 1.00 75.34 C ATOM 0 H VAL A 6 11.981 -5.626 -11.226 1.00 21.41 H new ATOM 0 HA VAL A 6 11.239 -8.431 -11.397 1.00 74.40 H new ATOM 0 HB VAL A 6 10.431 -6.398 -13.518 1.00 74.35 H new ATOM 0 HG11 VAL A 6 9.491 -8.330 -14.718 1.00 41.24 H new ATOM 0 HG12 VAL A 6 11.254 -8.471 -14.516 1.00 41.24 H new ATOM 0 HG13 VAL A 6 10.161 -9.420 -13.480 1.00 41.24 H new ATOM 0 HG21 VAL A 6 8.134 -7.137 -13.033 1.00 75.34 H new ATOM 0 HG22 VAL A 6 8.749 -8.177 -11.726 1.00 75.34 H new ATOM 0 HG23 VAL A 6 8.908 -6.409 -11.606 1.00 75.34 H new ATOM 108 N ALA A 7 13.452 -8.684 -12.478 1.00 2.22 N ATOM 109 CA ALA A 7 14.746 -8.882 -13.119 1.00 51.04 C ATOM 110 C ALA A 7 14.876 -10.299 -13.667 1.00 32.32 C ATOM 111 O ALA A 7 15.518 -11.154 -13.056 1.00 33.54 O ATOM 112 CB ALA A 7 15.872 -8.587 -12.139 1.00 72.43 C ATOM 0 H ALA A 7 13.158 -9.452 -11.875 1.00 2.22 H new ATOM 0 HA ALA A 7 14.818 -8.189 -13.957 1.00 51.04 H new ATOM 0 HB1 ALA A 7 16.832 -8.739 -12.632 1.00 72.43 H new ATOM 0 HB2 ALA A 7 15.798 -7.554 -11.800 1.00 72.43 H new ATOM 0 HB3 ALA A 7 15.794 -9.257 -11.282 1.00 72.43 H new ATOM 118 N CYS A 8 14.263 -10.541 -14.820 1.00 72.40 N ATOM 119 CA CYS A 8 14.309 -11.857 -15.449 1.00 51.31 C ATOM 120 C CYS A 8 15.747 -12.348 -15.577 1.00 20.24 C ATOM 121 O CYS A 8 16.123 -13.359 -14.984 1.00 43.24 O ATOM 122 CB CYS A 8 13.649 -11.809 -16.828 1.00 43.20 C ATOM 123 SG CYS A 8 13.731 -13.368 -17.740 1.00 32.12 S ATOM 0 H CYS A 8 13.728 -9.844 -15.339 1.00 72.40 H new ATOM 0 HA CYS A 8 13.761 -12.555 -14.816 1.00 51.31 H new ATOM 0 HB2 CYS A 8 12.604 -11.525 -16.709 1.00 43.20 H new ATOM 0 HB3 CYS A 8 14.126 -11.028 -17.420 1.00 43.20 H new ATOM 0 HG CYS A 8 14.723 -13.328 -18.579 1.00 32.12 H new ATOM 129 N GLY A 9 16.547 -11.626 -16.356 1.00 21.34 N ATOM 130 CA GLY A 9 17.934 -12.006 -16.549 1.00 5.34 C ATOM 131 C GLY A 9 18.103 -13.058 -17.626 1.00 22.50 C ATOM 132 O GLY A 9 18.875 -12.875 -18.567 1.00 21.23 O ATOM 0 H GLY A 9 16.259 -10.785 -16.857 1.00 21.34 H new ATOM 0 HA2 GLY A 9 18.516 -11.123 -16.814 1.00 5.34 H new ATOM 0 HA3 GLY A 9 18.338 -12.384 -15.610 1.00 5.34 H new ATOM 136 N ALA A 10 17.381 -14.165 -17.488 1.00 34.31 N ATOM 137 CA ALA A 10 17.454 -15.251 -18.457 1.00 73.24 C ATOM 138 C ALA A 10 17.243 -14.735 -19.877 1.00 24.12 C ATOM 139 O ALA A 10 16.293 -14.002 -20.147 1.00 32.41 O ATOM 140 CB ALA A 10 16.427 -16.324 -18.126 1.00 61.34 C ATOM 0 H ALA A 10 16.738 -14.333 -16.714 1.00 34.31 H new ATOM 0 HA ALA A 10 18.451 -15.688 -18.401 1.00 73.24 H new ATOM 0 HB1 ALA A 10 16.493 -17.129 -18.858 1.00 61.34 H new ATOM 0 HB2 ALA A 10 16.624 -16.722 -17.131 1.00 61.34 H new ATOM 0 HB3 ALA A 10 15.427 -15.891 -18.152 1.00 61.34 H new ATOM 146 N GLY A 11 18.138 -15.122 -20.781 1.00 42.12 N ATOM 147 CA GLY A 11 18.033 -14.688 -22.162 1.00 11.31 C ATOM 148 C GLY A 11 18.382 -13.223 -22.337 1.00 74.03 C ATOM 149 O GLY A 11 19.498 -12.887 -22.733 1.00 62.22 O ATOM 0 H GLY A 11 18.934 -15.728 -20.582 1.00 42.12 H new ATOM 0 HA2 GLY A 11 18.696 -15.293 -22.781 1.00 11.31 H new ATOM 0 HA3 GLY A 11 17.018 -14.862 -22.518 1.00 11.31 H new ATOM 153 N ILE A 12 17.424 -12.349 -22.044 1.00 25.42 N ATOM 154 CA ILE A 12 17.636 -10.913 -22.172 1.00 45.00 C ATOM 155 C ILE A 12 17.391 -10.201 -20.846 1.00 54.54 C ATOM 156 O ILE A 12 16.372 -10.421 -20.191 1.00 43.54 O ATOM 157 CB ILE A 12 16.719 -10.302 -23.248 1.00 62.40 C ATOM 158 CG1 ILE A 12 16.792 -11.123 -24.537 1.00 61.31 C ATOM 159 CG2 ILE A 12 17.105 -8.855 -23.513 1.00 54.31 C ATOM 160 CD1 ILE A 12 15.728 -12.195 -24.632 1.00 44.53 C ATOM 0 H ILE A 12 16.494 -12.611 -21.717 1.00 25.42 H new ATOM 0 HA ILE A 12 18.675 -10.773 -22.470 1.00 45.00 H new ATOM 0 HB ILE A 12 15.692 -10.323 -22.884 1.00 62.40 H new ATOM 0 HG12 ILE A 12 16.698 -10.452 -25.391 1.00 61.31 H new ATOM 0 HG13 ILE A 12 17.774 -11.590 -24.605 1.00 61.31 H new ATOM 0 HG21 ILE A 12 16.448 -8.437 -24.276 1.00 54.31 H new ATOM 0 HG22 ILE A 12 17.007 -8.278 -22.593 1.00 54.31 H new ATOM 0 HG23 ILE A 12 18.137 -8.812 -23.860 1.00 54.31 H new ATOM 0 HD11 ILE A 12 15.840 -12.737 -25.571 1.00 44.53 H new ATOM 0 HD12 ILE A 12 15.835 -12.888 -23.798 1.00 44.53 H new ATOM 0 HD13 ILE A 12 14.742 -11.733 -24.596 1.00 44.53 H new ATOM 172 N ALA A 13 18.330 -9.344 -20.458 1.00 72.30 N ATOM 173 CA ALA A 13 18.214 -8.596 -19.213 1.00 14.04 C ATOM 174 C ALA A 13 17.212 -7.454 -19.350 1.00 20.35 C ATOM 175 O ALA A 13 17.590 -6.283 -19.381 1.00 10.44 O ATOM 176 CB ALA A 13 19.573 -8.060 -18.790 1.00 44.10 C ATOM 0 H ALA A 13 19.180 -9.151 -20.988 1.00 72.30 H new ATOM 0 HA ALA A 13 17.848 -9.275 -18.443 1.00 14.04 H new ATOM 0 HB1 ALA A 13 19.471 -7.503 -17.858 1.00 44.10 H new ATOM 0 HB2 ALA A 13 20.262 -8.891 -18.642 1.00 44.10 H new ATOM 0 HB3 ALA A 13 19.962 -7.400 -19.566 1.00 44.10 H new ATOM 182 N THR A 14 15.932 -7.803 -19.432 1.00 13.10 N ATOM 183 CA THR A 14 14.876 -6.808 -19.568 1.00 12.43 C ATOM 184 C THR A 14 13.499 -7.461 -19.553 1.00 32.32 C ATOM 185 O THR A 14 13.250 -8.422 -20.280 1.00 75.53 O ATOM 186 CB THR A 14 15.032 -5.996 -20.868 1.00 23.24 C ATOM 187 OG1 THR A 14 14.005 -5.002 -20.952 1.00 33.45 O ATOM 188 CG2 THR A 14 14.965 -6.906 -22.085 1.00 25.12 C ATOM 0 H THR A 14 15.602 -8.768 -19.407 1.00 13.10 H new ATOM 0 HA THR A 14 14.965 -6.135 -18.715 1.00 12.43 H new ATOM 0 HB THR A 14 16.007 -5.509 -20.851 1.00 23.24 H new ATOM 0 HG1 THR A 14 14.113 -4.489 -21.780 1.00 33.45 H new ATOM 0 HG21 THR A 14 15.077 -6.311 -22.991 1.00 25.12 H new ATOM 0 HG22 THR A 14 15.767 -7.643 -22.033 1.00 25.12 H new ATOM 0 HG23 THR A 14 14.003 -7.418 -22.104 1.00 25.12 H new ATOM 196 N SER A 15 12.607 -6.934 -18.720 1.00 42.41 N ATOM 197 CA SER A 15 11.255 -7.468 -18.609 1.00 22.44 C ATOM 198 C SER A 15 10.235 -6.490 -19.183 1.00 71.44 C ATOM 199 O SER A 15 10.097 -5.364 -18.704 1.00 21.51 O ATOM 200 CB SER A 15 10.922 -7.770 -17.146 1.00 42.51 C ATOM 201 OG SER A 15 11.316 -6.701 -16.303 1.00 13.31 O ATOM 0 H SER A 15 12.797 -6.137 -18.112 1.00 42.41 H new ATOM 0 HA SER A 15 11.208 -8.393 -19.184 1.00 22.44 H new ATOM 0 HB2 SER A 15 9.851 -7.944 -17.042 1.00 42.51 H new ATOM 0 HB3 SER A 15 11.425 -8.686 -16.837 1.00 42.51 H new ATOM 0 HG SER A 15 11.045 -5.850 -16.706 1.00 13.31 H new ATOM 207 N THR A 16 9.521 -6.929 -20.215 1.00 54.35 N ATOM 208 CA THR A 16 8.514 -6.093 -20.858 1.00 33.43 C ATOM 209 C THR A 16 7.144 -6.763 -20.828 1.00 43.54 C ATOM 210 O THR A 16 6.210 -6.260 -20.203 1.00 60.44 O ATOM 211 CB THR A 16 8.890 -5.783 -22.319 1.00 33.31 C ATOM 212 OG1 THR A 16 10.277 -5.441 -22.405 1.00 45.04 O ATOM 213 CG2 THR A 16 8.046 -4.641 -22.864 1.00 74.32 C ATOM 0 H THR A 16 9.621 -7.858 -20.623 1.00 54.35 H new ATOM 0 HA THR A 16 8.472 -5.160 -20.297 1.00 33.43 H new ATOM 0 HB THR A 16 8.698 -6.673 -22.918 1.00 33.31 H new ATOM 0 HG1 THR A 16 10.509 -5.247 -23.337 1.00 45.04 H new ATOM 0 HG21 THR A 16 8.329 -4.440 -23.897 1.00 74.32 H new ATOM 0 HG22 THR A 16 6.992 -4.916 -22.824 1.00 74.32 H new ATOM 0 HG23 THR A 16 8.211 -3.747 -22.262 1.00 74.32 H new ATOM 221 N VAL A 17 7.031 -7.899 -21.508 1.00 65.41 N ATOM 222 CA VAL A 17 5.776 -8.639 -21.558 1.00 51.33 C ATOM 223 C VAL A 17 5.209 -8.854 -20.160 1.00 33.13 C ATOM 224 O VAL A 17 4.005 -8.723 -19.939 1.00 74.33 O ATOM 225 CB VAL A 17 5.957 -10.006 -22.243 1.00 72.32 C ATOM 226 CG1 VAL A 17 4.657 -10.795 -22.213 1.00 74.10 C ATOM 227 CG2 VAL A 17 6.447 -9.826 -23.672 1.00 3.52 C ATOM 0 H VAL A 17 7.794 -8.327 -22.032 1.00 65.41 H new ATOM 0 HA VAL A 17 5.078 -8.039 -22.142 1.00 51.33 H new ATOM 0 HB VAL A 17 6.710 -10.571 -21.693 1.00 72.32 H new ATOM 0 HG11 VAL A 17 4.805 -11.758 -22.702 1.00 74.10 H new ATOM 0 HG12 VAL A 17 4.353 -10.956 -21.179 1.00 74.10 H new ATOM 0 HG13 VAL A 17 3.881 -10.237 -22.737 1.00 74.10 H new ATOM 0 HG21 VAL A 17 6.569 -10.803 -24.140 1.00 3.52 H new ATOM 0 HG22 VAL A 17 5.719 -9.242 -24.235 1.00 3.52 H new ATOM 0 HG23 VAL A 17 7.404 -9.304 -23.665 1.00 3.52 H new ATOM 237 N VAL A 18 6.085 -9.185 -19.216 1.00 53.02 N ATOM 238 CA VAL A 18 5.672 -9.417 -17.837 1.00 70.23 C ATOM 239 C VAL A 18 4.994 -8.184 -17.251 1.00 43.33 C ATOM 240 O VAL A 18 3.865 -8.254 -16.769 1.00 12.10 O ATOM 241 CB VAL A 18 6.871 -9.801 -16.950 1.00 32.23 C ATOM 242 CG1 VAL A 18 6.398 -10.223 -15.567 1.00 1.33 C ATOM 243 CG2 VAL A 18 7.685 -10.907 -17.604 1.00 31.20 C ATOM 0 H VAL A 18 7.085 -9.298 -19.381 1.00 53.02 H new ATOM 0 HA VAL A 18 4.962 -10.244 -17.854 1.00 70.23 H new ATOM 0 HB VAL A 18 7.513 -8.927 -16.838 1.00 32.23 H new ATOM 0 HG11 VAL A 18 7.259 -10.491 -14.954 1.00 1.33 H new ATOM 0 HG12 VAL A 18 5.862 -9.398 -15.098 1.00 1.33 H new ATOM 0 HG13 VAL A 18 5.734 -11.083 -15.656 1.00 1.33 H new ATOM 0 HG21 VAL A 18 8.528 -11.166 -16.963 1.00 31.20 H new ATOM 0 HG22 VAL A 18 7.056 -11.785 -17.748 1.00 31.20 H new ATOM 0 HG23 VAL A 18 8.055 -10.564 -18.570 1.00 31.20 H new ATOM 253 N ASN A 19 5.693 -7.054 -17.297 1.00 55.33 N ATOM 254 CA ASN A 19 5.158 -5.803 -16.771 1.00 21.14 C ATOM 255 C ASN A 19 3.853 -5.433 -17.469 1.00 0.55 C ATOM 256 O ASN A 19 2.828 -5.227 -16.821 1.00 13.13 O ATOM 257 CB ASN A 19 6.179 -4.676 -16.941 1.00 73.14 C ATOM 258 CG ASN A 19 5.534 -3.304 -16.920 1.00 13.21 C ATOM 259 OD1 ASN A 19 4.680 -3.067 -15.931 1.00 41.25 O flip ATOM 260 ND2 ASN A 19 5.800 -2.467 -17.782 1.00 1.14 N flip ATOM 0 H ASN A 19 6.630 -6.979 -17.693 1.00 55.33 H new ATOM 0 HA ASN A 19 4.954 -5.942 -15.709 1.00 21.14 H new ATOM 0 HB2 ASN A 19 6.921 -4.738 -16.145 1.00 73.14 H new ATOM 0 HB3 ASN A 19 6.711 -4.810 -17.883 1.00 73.14 H new ATOM 0 HD21 ASN A 19 6.463 -2.692 -18.524 1.00 1.14 H new ATOM 0 HD22 ASN A 19 5.358 -1.548 -17.754 1.00 1.14 H new ATOM 267 N ASN A 20 3.900 -5.350 -18.794 1.00 41.22 N ATOM 268 CA ASN A 20 2.722 -5.004 -19.581 1.00 34.23 C ATOM 269 C ASN A 20 1.543 -5.903 -19.218 1.00 51.52 C ATOM 270 O ASN A 20 0.386 -5.496 -19.319 1.00 73.44 O ATOM 271 CB ASN A 20 3.027 -5.123 -21.075 1.00 62.22 C ATOM 272 CG ASN A 20 4.361 -4.503 -21.444 1.00 1.13 C ATOM 273 OD1 ASN A 20 5.124 -5.065 -22.230 1.00 55.11 O ATOM 274 ND2 ASN A 20 4.649 -3.338 -20.875 1.00 52.21 N ATOM 0 H ASN A 20 4.741 -5.518 -19.346 1.00 41.22 H new ATOM 0 HA ASN A 20 2.454 -3.972 -19.353 1.00 34.23 H new ATOM 0 HB2 ASN A 20 3.027 -6.175 -21.360 1.00 62.22 H new ATOM 0 HB3 ASN A 20 2.234 -4.638 -21.645 1.00 62.22 H new ATOM 0 HD21 ASN A 20 5.533 -2.873 -21.084 1.00 52.21 H new ATOM 0 HD22 ASN A 20 3.987 -2.908 -20.229 1.00 52.21 H new ATOM 281 N ALA A 21 1.846 -7.125 -18.795 1.00 22.21 N ATOM 282 CA ALA A 21 0.813 -8.080 -18.415 1.00 32.24 C ATOM 283 C ALA A 21 0.325 -7.824 -16.993 1.00 22.44 C ATOM 284 O ALA A 21 -0.852 -7.538 -16.772 1.00 60.22 O ATOM 285 CB ALA A 21 1.334 -9.503 -18.548 1.00 25.32 C ATOM 0 H ALA A 21 2.799 -7.477 -18.707 1.00 22.21 H new ATOM 0 HA ALA A 21 -0.033 -7.950 -19.090 1.00 32.24 H new ATOM 0 HB1 ALA A 21 0.551 -10.205 -18.261 1.00 25.32 H new ATOM 0 HB2 ALA A 21 1.626 -9.688 -19.582 1.00 25.32 H new ATOM 0 HB3 ALA A 21 2.198 -9.636 -17.897 1.00 25.32 H new ATOM 291 N ILE A 22 1.237 -7.930 -16.032 1.00 12.14 N ATOM 292 CA ILE A 22 0.899 -7.709 -14.631 1.00 74.31 C ATOM 293 C ILE A 22 0.197 -6.369 -14.439 1.00 73.25 C ATOM 294 O ILE A 22 -0.850 -6.292 -13.797 1.00 23.43 O ATOM 295 CB ILE A 22 2.151 -7.753 -13.736 1.00 1.31 C ATOM 296 CG1 ILE A 22 2.828 -9.121 -13.835 1.00 23.11 C ATOM 297 CG2 ILE A 22 1.782 -7.441 -12.293 1.00 61.32 C ATOM 298 CD1 ILE A 22 1.922 -10.272 -13.457 1.00 65.34 C ATOM 0 H ILE A 22 2.215 -8.167 -16.198 1.00 12.14 H new ATOM 0 HA ILE A 22 0.225 -8.514 -14.339 1.00 74.31 H new ATOM 0 HB ILE A 22 2.854 -6.995 -14.083 1.00 1.31 H new ATOM 0 HG12 ILE A 22 3.183 -9.269 -14.855 1.00 23.11 H new ATOM 0 HG13 ILE A 22 3.705 -9.131 -13.187 1.00 23.11 H new ATOM 0 HG21 ILE A 22 2.678 -7.476 -11.673 1.00 61.32 H new ATOM 0 HG22 ILE A 22 1.341 -6.446 -12.237 1.00 61.32 H new ATOM 0 HG23 ILE A 22 1.063 -8.177 -11.934 1.00 61.32 H new ATOM 0 HD11 ILE A 22 2.468 -11.211 -13.550 1.00 65.34 H new ATOM 0 HD12 ILE A 22 1.587 -10.148 -12.427 1.00 65.34 H new ATOM 0 HD13 ILE A 22 1.057 -10.288 -14.121 1.00 65.34 H new ATOM 310 N GLU A 23 0.780 -5.316 -15.003 1.00 54.05 N ATOM 311 CA GLU A 23 0.209 -3.979 -14.895 1.00 53.41 C ATOM 312 C GLU A 23 -1.266 -3.983 -15.289 1.00 44.11 C ATOM 313 O GLU A 23 -2.065 -3.222 -14.746 1.00 14.30 O ATOM 314 CB GLU A 23 0.981 -2.997 -15.779 1.00 2.02 C ATOM 315 CG GLU A 23 0.669 -3.135 -17.259 1.00 71.33 C ATOM 316 CD GLU A 23 1.391 -2.106 -18.107 1.00 3.15 C ATOM 317 OE1 GLU A 23 0.832 -1.692 -19.143 1.00 50.32 O ATOM 318 OE2 GLU A 23 2.517 -1.714 -17.732 1.00 34.31 O ATOM 0 H GLU A 23 1.647 -5.363 -15.539 1.00 54.05 H new ATOM 0 HA GLU A 23 0.289 -3.661 -13.855 1.00 53.41 H new ATOM 0 HB2 GLU A 23 0.753 -1.979 -15.462 1.00 2.02 H new ATOM 0 HB3 GLU A 23 2.050 -3.147 -15.626 1.00 2.02 H new ATOM 0 HG2 GLU A 23 0.947 -4.135 -17.593 1.00 71.33 H new ATOM 0 HG3 GLU A 23 -0.406 -3.035 -17.411 1.00 71.33 H new ATOM 325 N GLU A 24 -1.616 -4.846 -16.238 1.00 11.42 N ATOM 326 CA GLU A 24 -2.993 -4.948 -16.705 1.00 55.25 C ATOM 327 C GLU A 24 -3.848 -5.731 -15.713 1.00 72.44 C ATOM 328 O GLU A 24 -5.016 -5.411 -15.496 1.00 73.12 O ATOM 329 CB GLU A 24 -3.041 -5.621 -18.079 1.00 4.31 C ATOM 330 CG GLU A 24 -2.457 -4.770 -19.194 1.00 2.40 C ATOM 331 CD GLU A 24 -2.172 -5.570 -20.450 1.00 51.43 C ATOM 332 OE1 GLU A 24 -2.600 -6.741 -20.517 1.00 22.25 O ATOM 333 OE2 GLU A 24 -1.522 -5.025 -21.367 1.00 1.14 O ATOM 0 H GLU A 24 -0.966 -5.483 -16.698 1.00 11.42 H new ATOM 0 HA GLU A 24 -3.396 -3.939 -16.788 1.00 55.25 H new ATOM 0 HB2 GLU A 24 -2.498 -6.565 -18.031 1.00 4.31 H new ATOM 0 HB3 GLU A 24 -4.076 -5.861 -18.321 1.00 4.31 H new ATOM 0 HG2 GLU A 24 -3.150 -3.963 -19.431 1.00 2.40 H new ATOM 0 HG3 GLU A 24 -1.534 -4.306 -18.846 1.00 2.40 H new ATOM 340 N MET A 25 -3.257 -6.760 -15.115 1.00 65.11 N ATOM 341 CA MET A 25 -3.963 -7.589 -14.146 1.00 30.34 C ATOM 342 C MET A 25 -4.203 -6.824 -12.848 1.00 54.13 C ATOM 343 O MET A 25 -5.336 -6.721 -12.378 1.00 51.24 O ATOM 344 CB MET A 25 -3.169 -8.865 -13.859 1.00 61.21 C ATOM 345 CG MET A 25 -2.846 -9.673 -15.106 1.00 2.23 C ATOM 346 SD MET A 25 -4.324 -10.208 -15.989 1.00 22.43 S ATOM 347 CE MET A 25 -3.945 -9.656 -17.650 1.00 2.43 C ATOM 0 H MET A 25 -2.291 -7.040 -15.285 1.00 65.11 H new ATOM 0 HA MET A 25 -4.929 -7.859 -14.573 1.00 30.34 H new ATOM 0 HB2 MET A 25 -2.239 -8.599 -13.357 1.00 61.21 H new ATOM 0 HB3 MET A 25 -3.737 -9.489 -13.169 1.00 61.21 H new ATOM 0 HG2 MET A 25 -2.226 -9.073 -15.773 1.00 2.23 H new ATOM 0 HG3 MET A 25 -2.259 -10.547 -14.826 1.00 2.23 H new ATOM 0 HE1 MET A 25 -4.768 -9.915 -18.316 1.00 2.43 H new ATOM 0 HE2 MET A 25 -3.804 -8.575 -17.651 1.00 2.43 H new ATOM 0 HE3 MET A 25 -3.032 -10.141 -17.995 1.00 2.43 H new ATOM 357 N ALA A 26 -3.131 -6.289 -12.274 1.00 64.43 N ATOM 358 CA ALA A 26 -3.226 -5.532 -11.032 1.00 61.34 C ATOM 359 C ALA A 26 -4.306 -4.460 -11.125 1.00 11.12 C ATOM 360 O ALA A 26 -4.993 -4.169 -10.145 1.00 62.31 O ATOM 361 CB ALA A 26 -1.883 -4.903 -10.693 1.00 64.33 C ATOM 0 H ALA A 26 -2.186 -6.366 -12.650 1.00 64.43 H new ATOM 0 HA ALA A 26 -3.503 -6.222 -10.235 1.00 61.34 H new ATOM 0 HB1 ALA A 26 -1.969 -4.341 -9.763 1.00 64.33 H new ATOM 0 HB2 ALA A 26 -1.134 -5.686 -10.576 1.00 64.33 H new ATOM 0 HB3 ALA A 26 -1.583 -4.231 -11.497 1.00 64.33 H new ATOM 367 N LYS A 27 -4.451 -3.874 -12.308 1.00 54.52 N ATOM 368 CA LYS A 27 -5.448 -2.833 -12.530 1.00 35.01 C ATOM 369 C LYS A 27 -6.859 -3.382 -12.342 1.00 71.33 C ATOM 370 O LYS A 27 -7.699 -2.753 -11.700 1.00 60.00 O ATOM 371 CB LYS A 27 -5.301 -2.247 -13.936 1.00 24.40 C ATOM 372 CG LYS A 27 -4.322 -1.088 -14.012 1.00 71.22 C ATOM 373 CD LYS A 27 -4.456 -0.331 -15.323 1.00 2.12 C ATOM 374 CE LYS A 27 -4.078 -1.202 -16.511 1.00 22.01 C ATOM 375 NZ LYS A 27 -5.260 -1.904 -17.082 1.00 73.13 N ATOM 0 H LYS A 27 -3.890 -4.102 -13.129 1.00 54.52 H new ATOM 0 HA LYS A 27 -5.282 -2.045 -11.796 1.00 35.01 H new ATOM 0 HB2 LYS A 27 -4.974 -3.033 -14.616 1.00 24.40 H new ATOM 0 HB3 LYS A 27 -6.277 -1.910 -14.284 1.00 24.40 H new ATOM 0 HG2 LYS A 27 -4.496 -0.408 -13.178 1.00 71.22 H new ATOM 0 HG3 LYS A 27 -3.304 -1.463 -13.910 1.00 71.22 H new ATOM 0 HD2 LYS A 27 -5.482 0.019 -15.439 1.00 2.12 H new ATOM 0 HD3 LYS A 27 -3.818 0.553 -15.301 1.00 2.12 H new ATOM 0 HE2 LYS A 27 -3.615 -0.585 -17.281 1.00 22.01 H new ATOM 0 HE3 LYS A 27 -3.334 -1.936 -16.201 1.00 22.01 H new ATOM 0 HZ1 LYS A 27 -5.196 -1.903 -18.120 1.00 73.13 H new ATOM 0 HZ2 LYS A 27 -5.281 -2.885 -16.737 1.00 73.13 H new ATOM 0 HZ3 LYS A 27 -6.130 -1.415 -16.788 1.00 73.13 H new ATOM 389 N GLU A 28 -7.111 -4.560 -12.906 1.00 43.31 N ATOM 390 CA GLU A 28 -8.420 -5.193 -12.799 1.00 40.33 C ATOM 391 C GLU A 28 -8.823 -5.366 -11.338 1.00 22.53 C ATOM 392 O GLU A 28 -9.997 -5.247 -10.987 1.00 53.13 O ATOM 393 CB GLU A 28 -8.413 -6.552 -13.503 1.00 10.52 C ATOM 394 CG GLU A 28 -9.753 -6.929 -14.111 1.00 52.22 C ATOM 395 CD GLU A 28 -9.619 -7.929 -15.243 1.00 33.11 C ATOM 396 OE1 GLU A 28 -8.520 -8.500 -15.402 1.00 60.11 O ATOM 397 OE2 GLU A 28 -10.613 -8.141 -15.969 1.00 43.21 O ATOM 0 H GLU A 28 -6.426 -5.094 -13.441 1.00 43.31 H new ATOM 0 HA GLU A 28 -9.150 -4.545 -13.284 1.00 40.33 H new ATOM 0 HB2 GLU A 28 -7.657 -6.541 -14.288 1.00 10.52 H new ATOM 0 HB3 GLU A 28 -8.119 -7.321 -12.788 1.00 10.52 H new ATOM 0 HG2 GLU A 28 -10.395 -7.347 -13.336 1.00 52.22 H new ATOM 0 HG3 GLU A 28 -10.245 -6.030 -14.482 1.00 52.22 H new ATOM 404 N HIS A 29 -7.840 -5.650 -10.489 1.00 1.02 N ATOM 405 CA HIS A 29 -8.091 -5.840 -9.065 1.00 20.53 C ATOM 406 C HIS A 29 -8.083 -4.504 -8.328 1.00 64.40 C ATOM 407 O HIS A 29 -8.739 -4.348 -7.300 1.00 14.33 O ATOM 408 CB HIS A 29 -7.043 -6.775 -8.461 1.00 64.51 C ATOM 409 CG HIS A 29 -7.158 -8.191 -8.937 1.00 4.02 C ATOM 410 ND1 HIS A 29 -7.920 -9.142 -8.292 1.00 22.11 N ATOM 411 CD2 HIS A 29 -6.603 -8.815 -10.002 1.00 43.32 C ATOM 412 CE1 HIS A 29 -7.827 -10.290 -8.939 1.00 74.11 C ATOM 413 NE2 HIS A 29 -7.034 -10.118 -9.981 1.00 73.22 N ATOM 0 H HIS A 29 -6.863 -5.754 -10.763 1.00 1.02 H new ATOM 0 HA HIS A 29 -9.077 -6.291 -8.953 1.00 20.53 H new ATOM 0 HB2 HIS A 29 -6.049 -6.398 -8.703 1.00 64.51 H new ATOM 0 HB3 HIS A 29 -7.135 -6.757 -7.375 1.00 64.51 H new ATOM 0 HD2 HIS A 29 -5.944 -8.370 -10.733 1.00 43.32 H new ATOM 0 HE1 HIS A 29 -8.316 -11.212 -8.663 1.00 74.11 H new ATOM 0 HE2 HIS A 29 -6.783 -10.837 -10.660 1.00 73.22 H new ATOM 421 N ASN A 30 -7.334 -3.545 -8.861 1.00 44.34 N ATOM 422 CA ASN A 30 -7.239 -2.222 -8.254 1.00 23.44 C ATOM 423 C ASN A 30 -6.556 -2.298 -6.891 1.00 42.44 C ATOM 424 O ASN A 30 -7.059 -1.761 -5.903 1.00 63.55 O ATOM 425 CB ASN A 30 -8.631 -1.605 -8.105 1.00 61.34 C ATOM 426 CG ASN A 30 -9.475 -1.777 -9.353 1.00 52.23 C ATOM 427 OD1 ASN A 30 -9.253 -1.109 -10.363 1.00 63.14 O ATOM 428 ND2 ASN A 30 -10.451 -2.675 -9.288 1.00 60.35 N ATOM 0 H ASN A 30 -6.784 -3.659 -9.712 1.00 44.34 H new ATOM 0 HA ASN A 30 -6.638 -1.591 -8.909 1.00 23.44 H new ATOM 0 HB2 ASN A 30 -9.141 -2.065 -7.258 1.00 61.34 H new ATOM 0 HB3 ASN A 30 -8.533 -0.543 -7.879 1.00 61.34 H new ATOM 0 HD21 ASN A 30 -11.053 -2.834 -10.096 1.00 60.35 H new ATOM 0 HD22 ASN A 30 -10.599 -3.206 -8.430 1.00 60.35 H new ATOM 435 N ILE A 31 -5.408 -2.965 -6.847 1.00 70.52 N ATOM 436 CA ILE A 31 -4.656 -3.109 -5.607 1.00 64.11 C ATOM 437 C ILE A 31 -3.448 -2.178 -5.586 1.00 14.34 C ATOM 438 O ILE A 31 -2.969 -1.740 -6.632 1.00 12.43 O ATOM 439 CB ILE A 31 -4.175 -4.558 -5.405 1.00 34.34 C ATOM 440 CG1 ILE A 31 -5.305 -5.541 -5.719 1.00 20.54 C ATOM 441 CG2 ILE A 31 -3.674 -4.756 -3.982 1.00 21.21 C ATOM 442 CD1 ILE A 31 -4.880 -6.992 -5.652 1.00 42.40 C ATOM 0 H ILE A 31 -4.978 -3.414 -7.656 1.00 70.52 H new ATOM 0 HA ILE A 31 -5.333 -2.843 -4.795 1.00 64.11 H new ATOM 0 HB ILE A 31 -3.349 -4.751 -6.090 1.00 34.34 H new ATOM 0 HG12 ILE A 31 -6.123 -5.378 -5.017 1.00 20.54 H new ATOM 0 HG13 ILE A 31 -5.693 -5.330 -6.716 1.00 20.54 H new ATOM 0 HG21 ILE A 31 -3.337 -5.785 -3.855 1.00 21.21 H new ATOM 0 HG22 ILE A 31 -2.844 -4.076 -3.791 1.00 21.21 H new ATOM 0 HG23 ILE A 31 -4.482 -4.549 -3.280 1.00 21.21 H new ATOM 0 HD11 ILE A 31 -5.731 -7.632 -5.886 1.00 42.40 H new ATOM 0 HD12 ILE A 31 -4.083 -7.171 -6.373 1.00 42.40 H new ATOM 0 HD13 ILE A 31 -4.520 -7.220 -4.649 1.00 42.40 H new ATOM 454 N LYS A 32 -2.959 -1.880 -4.387 1.00 12.23 N ATOM 455 CA LYS A 32 -1.805 -1.003 -4.227 1.00 13.11 C ATOM 456 C LYS A 32 -0.523 -1.708 -4.656 1.00 44.14 C ATOM 457 O LYS A 32 0.280 -2.123 -3.820 1.00 14.11 O ATOM 458 CB LYS A 32 -1.685 -0.544 -2.772 1.00 20.32 C ATOM 459 CG LYS A 32 -1.701 -1.686 -1.771 1.00 34.43 C ATOM 460 CD LYS A 32 -3.004 -1.724 -0.988 1.00 45.45 C ATOM 461 CE LYS A 32 -3.272 -3.108 -0.419 1.00 10.05 C ATOM 462 NZ LYS A 32 -4.071 -3.046 0.837 1.00 44.31 N ATOM 0 H LYS A 32 -3.344 -2.233 -3.511 1.00 12.23 H new ATOM 0 HA LYS A 32 -1.951 -0.132 -4.865 1.00 13.11 H new ATOM 0 HB2 LYS A 32 -0.760 0.020 -2.653 1.00 20.32 H new ATOM 0 HB3 LYS A 32 -2.505 0.138 -2.546 1.00 20.32 H new ATOM 0 HG2 LYS A 32 -1.563 -2.632 -2.295 1.00 34.43 H new ATOM 0 HG3 LYS A 32 -0.864 -1.578 -1.081 1.00 34.43 H new ATOM 0 HD2 LYS A 32 -2.963 -0.997 -0.176 1.00 45.45 H new ATOM 0 HD3 LYS A 32 -3.829 -1.431 -1.638 1.00 45.45 H new ATOM 0 HE2 LYS A 32 -3.803 -3.708 -1.158 1.00 10.05 H new ATOM 0 HE3 LYS A 32 -2.324 -3.610 -0.222 1.00 10.05 H new ATOM 0 HZ1 LYS A 32 -4.233 -4.010 1.194 1.00 44.31 H new ATOM 0 HZ2 LYS A 32 -3.553 -2.495 1.551 1.00 44.31 H new ATOM 0 HZ3 LYS A 32 -4.986 -2.590 0.644 1.00 44.31 H new ATOM 476 N VAL A 33 -0.335 -1.839 -5.966 1.00 4.22 N ATOM 477 CA VAL A 33 0.852 -2.491 -6.506 1.00 61.13 C ATOM 478 C VAL A 33 1.703 -1.510 -7.304 1.00 44.20 C ATOM 479 O VAL A 33 1.202 -0.810 -8.184 1.00 61.24 O ATOM 480 CB VAL A 33 0.476 -3.680 -7.410 1.00 63.32 C ATOM 481 CG1 VAL A 33 1.718 -4.464 -7.805 1.00 64.33 C ATOM 482 CG2 VAL A 33 -0.533 -4.580 -6.714 1.00 31.35 C ATOM 0 H VAL A 33 -0.989 -1.502 -6.672 1.00 4.22 H new ATOM 0 HA VAL A 33 1.427 -2.857 -5.655 1.00 61.13 H new ATOM 0 HB VAL A 33 0.016 -3.292 -8.319 1.00 63.32 H new ATOM 0 HG11 VAL A 33 1.433 -5.300 -8.443 1.00 64.33 H new ATOM 0 HG12 VAL A 33 2.403 -3.812 -8.346 1.00 64.33 H new ATOM 0 HG13 VAL A 33 2.209 -4.843 -6.909 1.00 64.33 H new ATOM 0 HG21 VAL A 33 -0.787 -5.415 -7.367 1.00 31.35 H new ATOM 0 HG22 VAL A 33 -0.102 -4.962 -5.788 1.00 31.35 H new ATOM 0 HG23 VAL A 33 -1.434 -4.010 -6.487 1.00 31.35 H new ATOM 492 N ASP A 34 2.993 -1.464 -6.991 1.00 5.25 N ATOM 493 CA ASP A 34 3.916 -0.569 -7.679 1.00 43.12 C ATOM 494 C ASP A 34 4.945 -1.361 -8.480 1.00 43.20 C ATOM 495 O ASP A 34 6.097 -1.496 -8.067 1.00 3.03 O ATOM 496 CB ASP A 34 4.624 0.341 -6.674 1.00 22.42 C ATOM 497 CG ASP A 34 5.060 1.656 -7.289 1.00 74.25 C ATOM 498 OD1 ASP A 34 5.226 1.706 -8.526 1.00 43.03 O ATOM 499 OD2 ASP A 34 5.233 2.635 -6.535 1.00 11.24 O ATOM 0 H ASP A 34 3.424 -2.036 -6.265 1.00 5.25 H new ATOM 0 HA ASP A 34 3.339 0.046 -8.370 1.00 43.12 H new ATOM 0 HB2 ASP A 34 3.957 0.539 -5.835 1.00 22.42 H new ATOM 0 HB3 ASP A 34 5.496 -0.175 -6.272 1.00 22.42 H new ATOM 504 N ILE A 35 4.521 -1.883 -9.626 1.00 43.41 N ATOM 505 CA ILE A 35 5.406 -2.661 -10.484 1.00 41.11 C ATOM 506 C ILE A 35 6.698 -1.904 -10.772 1.00 41.13 C ATOM 507 O ILE A 35 6.692 -0.685 -10.944 1.00 13.35 O ATOM 508 CB ILE A 35 4.725 -3.018 -11.818 1.00 61.34 C ATOM 509 CG1 ILE A 35 3.451 -3.826 -11.565 1.00 72.53 C ATOM 510 CG2 ILE A 35 5.683 -3.794 -12.710 1.00 74.44 C ATOM 511 CD1 ILE A 35 2.631 -4.069 -12.813 1.00 41.23 C ATOM 0 H ILE A 35 3.570 -1.781 -9.982 1.00 43.41 H new ATOM 0 HA ILE A 35 5.639 -3.580 -9.947 1.00 41.11 H new ATOM 0 HB ILE A 35 4.451 -2.095 -12.328 1.00 61.34 H new ATOM 0 HG12 ILE A 35 3.721 -4.786 -11.125 1.00 72.53 H new ATOM 0 HG13 ILE A 35 2.837 -3.301 -10.833 1.00 72.53 H new ATOM 0 HG21 ILE A 35 5.188 -4.039 -13.649 1.00 74.44 H new ATOM 0 HG22 ILE A 35 6.565 -3.186 -12.913 1.00 74.44 H new ATOM 0 HG23 ILE A 35 5.984 -4.713 -12.208 1.00 74.44 H new ATOM 0 HD11 ILE A 35 1.743 -4.648 -12.558 1.00 41.23 H new ATOM 0 HD12 ILE A 35 2.330 -3.113 -13.243 1.00 41.23 H new ATOM 0 HD13 ILE A 35 3.228 -4.621 -13.539 1.00 41.23 H new ATOM 523 N LYS A 36 7.806 -2.635 -10.826 1.00 62.15 N ATOM 524 CA LYS A 36 9.107 -2.035 -11.097 1.00 40.24 C ATOM 525 C LYS A 36 9.999 -2.997 -11.875 1.00 71.12 C ATOM 526 O LYS A 36 9.931 -4.211 -11.685 1.00 75.12 O ATOM 527 CB LYS A 36 9.790 -1.635 -9.787 1.00 61.44 C ATOM 528 CG LYS A 36 10.348 -0.223 -9.799 1.00 4.14 C ATOM 529 CD LYS A 36 11.755 -0.175 -9.227 1.00 45.12 C ATOM 530 CE LYS A 36 11.741 0.105 -7.732 1.00 73.42 C ATOM 531 NZ LYS A 36 11.173 1.446 -7.424 1.00 54.34 N ATOM 0 H LYS A 36 7.829 -3.645 -10.686 1.00 62.15 H new ATOM 0 HA LYS A 36 8.949 -1.144 -11.704 1.00 40.24 H new ATOM 0 HB2 LYS A 36 9.074 -1.727 -8.971 1.00 61.44 H new ATOM 0 HB3 LYS A 36 10.600 -2.335 -9.581 1.00 61.44 H new ATOM 0 HG2 LYS A 36 10.356 0.157 -10.820 1.00 4.14 H new ATOM 0 HG3 LYS A 36 9.696 0.432 -9.220 1.00 4.14 H new ATOM 0 HD2 LYS A 36 12.258 -1.123 -9.416 1.00 45.12 H new ATOM 0 HD3 LYS A 36 12.330 0.598 -9.737 1.00 45.12 H new ATOM 0 HE2 LYS A 36 11.156 -0.662 -7.224 1.00 73.42 H new ATOM 0 HE3 LYS A 36 12.757 0.042 -7.341 1.00 73.42 H new ATOM 0 HZ1 LYS A 36 11.598 1.810 -6.547 1.00 54.34 H new ATOM 0 HZ2 LYS A 36 11.381 2.099 -8.206 1.00 54.34 H new ATOM 0 HZ3 LYS A 36 10.143 1.367 -7.303 1.00 54.34 H new ATOM 545 N GLN A 37 10.835 -2.446 -12.749 1.00 60.45 N ATOM 546 CA GLN A 37 11.741 -3.257 -13.555 1.00 34.33 C ATOM 547 C GLN A 37 13.156 -2.690 -13.520 1.00 52.33 C ATOM 548 O GLN A 37 13.366 -1.505 -13.784 1.00 24.51 O ATOM 549 CB GLN A 37 11.244 -3.333 -14.999 1.00 54.54 C ATOM 550 CG GLN A 37 10.743 -2.003 -15.541 1.00 21.13 C ATOM 551 CD GLN A 37 10.189 -2.117 -16.947 1.00 52.01 C ATOM 552 OE1 GLN A 37 10.872 -1.805 -17.923 1.00 54.31 O ATOM 553 NE2 GLN A 37 8.944 -2.566 -17.059 1.00 23.44 N ATOM 0 H GLN A 37 10.904 -1.442 -12.917 1.00 60.45 H new ATOM 0 HA GLN A 37 11.762 -4.262 -13.133 1.00 34.33 H new ATOM 0 HB2 GLN A 37 12.053 -3.693 -15.634 1.00 54.54 H new ATOM 0 HB3 GLN A 37 10.440 -4.067 -15.060 1.00 54.54 H new ATOM 0 HG2 GLN A 37 9.968 -1.614 -14.880 1.00 21.13 H new ATOM 0 HG3 GLN A 37 11.560 -1.281 -15.534 1.00 21.13 H new ATOM 0 HE21 GLN A 37 8.414 -2.813 -16.223 1.00 23.44 H new ATOM 0 HE22 GLN A 37 8.518 -2.664 -17.981 1.00 23.44 H new ATOM 562 N ILE A 38 14.122 -3.542 -13.194 1.00 13.43 N ATOM 563 CA ILE A 38 15.517 -3.125 -13.126 1.00 13.52 C ATOM 564 C ILE A 38 16.448 -4.242 -13.585 1.00 15.23 C ATOM 565 O ILE A 38 15.997 -5.307 -14.006 1.00 33.34 O ATOM 566 CB ILE A 38 15.908 -2.699 -11.698 1.00 63.42 C ATOM 567 CG1 ILE A 38 16.112 -3.931 -10.813 1.00 74.05 C ATOM 568 CG2 ILE A 38 14.845 -1.786 -11.107 1.00 40.33 C ATOM 569 CD1 ILE A 38 14.875 -4.792 -10.683 1.00 14.13 C ATOM 0 H ILE A 38 13.964 -4.525 -12.973 1.00 13.43 H new ATOM 0 HA ILE A 38 15.624 -2.270 -13.793 1.00 13.52 H new ATOM 0 HB ILE A 38 16.847 -2.148 -11.744 1.00 63.42 H new ATOM 0 HG12 ILE A 38 16.923 -4.533 -11.223 1.00 74.05 H new ATOM 0 HG13 ILE A 38 16.426 -3.608 -9.821 1.00 74.05 H new ATOM 0 HG21 ILE A 38 15.136 -1.494 -10.098 1.00 40.33 H new ATOM 0 HG22 ILE A 38 14.744 -0.896 -11.728 1.00 40.33 H new ATOM 0 HG23 ILE A 38 13.892 -2.313 -11.071 1.00 40.33 H new ATOM 0 HD11 ILE A 38 15.092 -5.647 -10.042 1.00 14.13 H new ATOM 0 HD12 ILE A 38 14.068 -4.205 -10.244 1.00 14.13 H new ATOM 0 HD13 ILE A 38 14.572 -5.145 -11.669 1.00 14.13 H new ATOM 581 N LYS A 39 17.750 -3.992 -13.499 1.00 53.02 N ATOM 582 CA LYS A 39 18.746 -4.977 -13.902 1.00 44.03 C ATOM 583 C LYS A 39 18.937 -6.033 -12.818 1.00 71.24 C ATOM 584 O LYS A 39 18.707 -5.772 -11.637 1.00 42.02 O ATOM 585 CB LYS A 39 20.081 -4.290 -14.200 1.00 40.11 C ATOM 586 CG LYS A 39 20.451 -4.293 -15.673 1.00 64.01 C ATOM 587 CD LYS A 39 19.672 -3.243 -16.446 1.00 51.53 C ATOM 588 CE LYS A 39 20.160 -3.132 -17.883 1.00 14.43 C ATOM 589 NZ LYS A 39 21.155 -2.036 -18.048 1.00 30.45 N ATOM 0 H LYS A 39 18.140 -3.115 -13.154 1.00 53.02 H new ATOM 0 HA LYS A 39 18.388 -5.470 -14.806 1.00 44.03 H new ATOM 0 HB2 LYS A 39 20.036 -3.260 -13.847 1.00 40.11 H new ATOM 0 HB3 LYS A 39 20.870 -4.787 -13.635 1.00 40.11 H new ATOM 0 HG2 LYS A 39 21.520 -4.107 -15.781 1.00 64.01 H new ATOM 0 HG3 LYS A 39 20.254 -5.278 -16.096 1.00 64.01 H new ATOM 0 HD2 LYS A 39 18.612 -3.497 -16.439 1.00 51.53 H new ATOM 0 HD3 LYS A 39 19.772 -2.277 -15.951 1.00 51.53 H new ATOM 0 HE2 LYS A 39 20.608 -4.078 -18.189 1.00 14.43 H new ATOM 0 HE3 LYS A 39 19.311 -2.954 -18.542 1.00 14.43 H new ATOM 0 HZ1 LYS A 39 21.463 -1.993 -19.040 1.00 30.45 H new ATOM 0 HZ2 LYS A 39 20.721 -1.130 -17.781 1.00 30.45 H new ATOM 0 HZ3 LYS A 39 21.977 -2.219 -17.438 1.00 30.45 H new ATOM 603 N ILE A 40 19.359 -7.225 -13.228 1.00 1.34 N ATOM 604 CA ILE A 40 19.583 -8.319 -12.290 1.00 52.55 C ATOM 605 C ILE A 40 20.446 -7.869 -11.117 1.00 4.01 C ATOM 606 O ILE A 40 20.312 -8.376 -10.002 1.00 45.44 O ATOM 607 CB ILE A 40 20.257 -9.520 -12.978 1.00 73.45 C ATOM 608 CG1 ILE A 40 20.344 -10.705 -12.014 1.00 72.01 C ATOM 609 CG2 ILE A 40 21.641 -9.136 -13.480 1.00 54.11 C ATOM 610 CD1 ILE A 40 18.995 -11.203 -11.546 1.00 35.42 C ATOM 0 H ILE A 40 19.552 -7.458 -14.202 1.00 1.34 H new ATOM 0 HA ILE A 40 18.604 -8.624 -11.921 1.00 52.55 H new ATOM 0 HB ILE A 40 19.651 -9.816 -13.834 1.00 73.45 H new ATOM 0 HG12 ILE A 40 20.874 -11.522 -12.503 1.00 72.01 H new ATOM 0 HG13 ILE A 40 20.936 -10.414 -11.146 1.00 72.01 H new ATOM 0 HG21 ILE A 40 22.104 -9.996 -13.964 1.00 54.11 H new ATOM 0 HG22 ILE A 40 21.554 -8.319 -14.197 1.00 54.11 H new ATOM 0 HG23 ILE A 40 22.257 -8.817 -12.639 1.00 54.11 H new ATOM 0 HD11 ILE A 40 19.133 -12.043 -10.866 1.00 35.42 H new ATOM 0 HD12 ILE A 40 18.470 -10.400 -11.029 1.00 35.42 H new ATOM 0 HD13 ILE A 40 18.408 -11.525 -12.406 1.00 35.42 H new ATOM 622 N THR A 41 21.333 -6.912 -11.374 1.00 21.22 N ATOM 623 CA THR A 41 22.219 -6.393 -10.339 1.00 74.03 C ATOM 624 C THR A 41 21.552 -5.265 -9.561 1.00 2.35 C ATOM 625 O THR A 41 21.798 -5.093 -8.367 1.00 44.23 O ATOM 626 CB THR A 41 23.540 -5.877 -10.938 1.00 45.15 C ATOM 627 OG1 THR A 41 23.271 -4.904 -11.954 1.00 2.44 O ATOM 628 CG2 THR A 41 24.351 -7.022 -11.528 1.00 54.53 C ATOM 0 H THR A 41 21.457 -6.481 -12.290 1.00 21.22 H new ATOM 0 HA THR A 41 22.434 -7.220 -9.662 1.00 74.03 H new ATOM 0 HB THR A 41 24.120 -5.416 -10.138 1.00 45.15 H new ATOM 0 HG1 THR A 41 24.117 -4.580 -12.328 1.00 2.44 H new ATOM 0 HG21 THR A 41 25.280 -6.633 -11.945 1.00 54.53 H new ATOM 0 HG22 THR A 41 24.580 -7.746 -10.746 1.00 54.53 H new ATOM 0 HG23 THR A 41 23.775 -7.508 -12.316 1.00 54.53 H new ATOM 636 N GLU A 42 20.707 -4.499 -10.244 1.00 31.14 N ATOM 637 CA GLU A 42 20.005 -3.387 -9.614 1.00 2.22 C ATOM 638 C GLU A 42 19.197 -3.864 -8.410 1.00 65.44 C ATOM 639 O GLU A 42 18.948 -3.104 -7.475 1.00 33.11 O ATOM 640 CB GLU A 42 19.081 -2.701 -10.622 1.00 62.04 C ATOM 641 CG GLU A 42 19.793 -1.701 -11.518 1.00 11.22 C ATOM 642 CD GLU A 42 20.359 -0.525 -10.745 1.00 21.52 C ATOM 643 OE1 GLU A 42 21.596 -0.357 -10.741 1.00 63.44 O ATOM 644 OE2 GLU A 42 19.564 0.227 -10.143 1.00 73.52 O ATOM 0 H GLU A 42 20.492 -4.628 -11.233 1.00 31.14 H new ATOM 0 HA GLU A 42 20.750 -2.671 -9.269 1.00 2.22 H new ATOM 0 HB2 GLU A 42 18.608 -3.461 -11.244 1.00 62.04 H new ATOM 0 HB3 GLU A 42 18.284 -2.189 -10.082 1.00 62.04 H new ATOM 0 HG2 GLU A 42 20.601 -2.205 -12.049 1.00 11.22 H new ATOM 0 HG3 GLU A 42 19.097 -1.334 -12.272 1.00 11.22 H new ATOM 651 N VAL A 43 18.791 -5.130 -8.442 1.00 40.44 N ATOM 652 CA VAL A 43 18.012 -5.710 -7.355 1.00 40.01 C ATOM 653 C VAL A 43 18.820 -5.756 -6.063 1.00 44.14 C ATOM 654 O VAL A 43 18.262 -5.720 -4.968 1.00 22.43 O ATOM 655 CB VAL A 43 17.538 -7.134 -7.702 1.00 42.11 C ATOM 656 CG1 VAL A 43 18.703 -8.111 -7.656 1.00 43.42 C ATOM 657 CG2 VAL A 43 16.428 -7.570 -6.758 1.00 22.41 C ATOM 0 H VAL A 43 18.989 -5.773 -9.209 1.00 40.44 H new ATOM 0 HA VAL A 43 17.142 -5.070 -7.213 1.00 40.01 H new ATOM 0 HB VAL A 43 17.140 -7.129 -8.717 1.00 42.11 H new ATOM 0 HG11 VAL A 43 18.349 -9.112 -7.904 1.00 43.42 H new ATOM 0 HG12 VAL A 43 19.462 -7.806 -8.376 1.00 43.42 H new ATOM 0 HG13 VAL A 43 19.134 -8.116 -6.655 1.00 43.42 H new ATOM 0 HG21 VAL A 43 16.105 -8.578 -7.017 1.00 22.41 H new ATOM 0 HG22 VAL A 43 16.798 -7.560 -5.733 1.00 22.41 H new ATOM 0 HG23 VAL A 43 15.585 -6.885 -6.847 1.00 22.41 H new ATOM 667 N GLY A 44 20.141 -5.835 -6.200 1.00 53.53 N ATOM 668 CA GLY A 44 21.006 -5.884 -5.036 1.00 14.40 C ATOM 669 C GLY A 44 20.656 -4.825 -4.009 1.00 11.00 C ATOM 670 O GLY A 44 20.183 -5.125 -2.913 1.00 21.44 O ATOM 0 H GLY A 44 20.627 -5.866 -7.096 1.00 53.53 H new ATOM 0 HA2 GLY A 44 20.935 -6.870 -4.576 1.00 14.40 H new ATOM 0 HA3 GLY A 44 22.041 -5.753 -5.351 1.00 14.40 H new ATOM 674 N PRO A 45 20.891 -3.552 -4.361 1.00 64.44 N ATOM 675 CA PRO A 45 20.606 -2.420 -3.475 1.00 44.13 C ATOM 676 C PRO A 45 19.110 -2.194 -3.287 1.00 3.44 C ATOM 677 O PRO A 45 18.682 -1.599 -2.297 1.00 45.00 O ATOM 678 CB PRO A 45 21.239 -1.232 -4.204 1.00 3.44 C ATOM 679 CG PRO A 45 21.253 -1.631 -5.639 1.00 3.22 C ATOM 680 CD PRO A 45 21.454 -3.121 -5.652 1.00 74.12 C ATOM 0 HA PRO A 45 20.998 -2.579 -2.470 1.00 44.13 H new ATOM 0 HB2 PRO A 45 20.661 -0.321 -4.052 1.00 3.44 H new ATOM 0 HB3 PRO A 45 22.247 -1.035 -3.838 1.00 3.44 H new ATOM 0 HG2 PRO A 45 20.318 -1.359 -6.129 1.00 3.22 H new ATOM 0 HG3 PRO A 45 22.054 -1.124 -6.177 1.00 3.22 H new ATOM 0 HD2 PRO A 45 20.939 -3.589 -6.491 1.00 74.12 H new ATOM 0 HD3 PRO A 45 22.508 -3.384 -5.738 1.00 74.12 H new ATOM 688 N TYR A 46 18.320 -2.672 -4.241 1.00 14.40 N ATOM 689 CA TYR A 46 16.871 -2.519 -4.181 1.00 33.45 C ATOM 690 C TYR A 46 16.223 -3.732 -3.520 1.00 33.40 C ATOM 691 O TYR A 46 15.128 -4.148 -3.899 1.00 65.04 O ATOM 692 CB TYR A 46 16.298 -2.323 -5.585 1.00 64.44 C ATOM 693 CG TYR A 46 16.521 -0.935 -6.142 1.00 21.14 C ATOM 694 CD1 TYR A 46 16.209 0.193 -5.393 1.00 34.23 C ATOM 695 CD2 TYR A 46 17.043 -0.751 -7.416 1.00 71.21 C ATOM 696 CE1 TYR A 46 16.410 1.463 -5.897 1.00 14.32 C ATOM 697 CE2 TYR A 46 17.249 0.515 -7.928 1.00 14.43 C ATOM 698 CZ TYR A 46 16.930 1.619 -7.165 1.00 3.35 C ATOM 699 OH TYR A 46 17.132 2.883 -7.671 1.00 64.42 O ATOM 0 H TYR A 46 18.658 -3.169 -5.065 1.00 14.40 H new ATOM 0 HA TYR A 46 16.649 -1.637 -3.580 1.00 33.45 H new ATOM 0 HB2 TYR A 46 16.750 -3.052 -6.258 1.00 64.44 H new ATOM 0 HB3 TYR A 46 15.228 -2.529 -5.564 1.00 64.44 H new ATOM 0 HD1 TYR A 46 15.802 0.075 -4.400 1.00 34.23 H new ATOM 0 HD2 TYR A 46 17.292 -1.613 -8.017 1.00 71.21 H new ATOM 0 HE1 TYR A 46 16.161 2.329 -5.302 1.00 14.32 H new ATOM 0 HE2 TYR A 46 17.657 0.640 -8.920 1.00 14.43 H new ATOM 0 HH TYR A 46 17.505 2.818 -8.575 1.00 64.42 H new ATOM 709 N GLU A 47 16.907 -4.295 -2.529 1.00 4.43 N ATOM 710 CA GLU A 47 16.399 -5.460 -1.815 1.00 11.01 C ATOM 711 C GLU A 47 15.625 -5.040 -0.569 1.00 2.35 C ATOM 712 O GLU A 47 14.581 -5.610 -0.252 1.00 0.35 O ATOM 713 CB GLU A 47 17.550 -6.389 -1.425 1.00 23.13 C ATOM 714 CG GLU A 47 17.752 -7.546 -2.389 1.00 31.35 C ATOM 715 CD GLU A 47 18.439 -8.733 -1.740 1.00 53.42 C ATOM 716 OE1 GLU A 47 18.795 -9.682 -2.469 1.00 45.02 O ATOM 717 OE2 GLU A 47 18.619 -8.712 -0.505 1.00 22.22 O ATOM 0 H GLU A 47 17.814 -3.963 -2.202 1.00 4.43 H new ATOM 0 HA GLU A 47 15.720 -5.994 -2.480 1.00 11.01 H new ATOM 0 HB2 GLU A 47 18.471 -5.809 -1.369 1.00 23.13 H new ATOM 0 HB3 GLU A 47 17.363 -6.787 -0.428 1.00 23.13 H new ATOM 0 HG2 GLU A 47 16.785 -7.860 -2.781 1.00 31.35 H new ATOM 0 HG3 GLU A 47 18.345 -7.207 -3.238 1.00 31.35 H new ATOM 724 N ASP A 48 16.146 -4.040 0.134 1.00 14.23 N ATOM 725 CA ASP A 48 15.505 -3.542 1.346 1.00 54.11 C ATOM 726 C ASP A 48 14.236 -2.765 1.009 1.00 35.23 C ATOM 727 O ASP A 48 13.136 -3.147 1.411 1.00 54.04 O ATOM 728 CB ASP A 48 16.470 -2.651 2.130 1.00 73.40 C ATOM 729 CG ASP A 48 17.761 -3.364 2.479 1.00 64.20 C ATOM 730 OD1 ASP A 48 18.771 -3.140 1.779 1.00 42.31 O ATOM 731 OD2 ASP A 48 17.763 -4.146 3.453 1.00 52.24 O ATOM 0 H ASP A 48 17.010 -3.558 -0.114 1.00 14.23 H new ATOM 0 HA ASP A 48 15.233 -4.399 1.962 1.00 54.11 H new ATOM 0 HB2 ASP A 48 16.697 -1.761 1.543 1.00 73.40 H new ATOM 0 HB3 ASP A 48 15.985 -2.313 3.046 1.00 73.40 H new ATOM 736 N THR A 49 14.395 -1.672 0.270 1.00 4.55 N ATOM 737 CA THR A 49 13.264 -0.840 -0.118 1.00 53.51 C ATOM 738 C THR A 49 12.163 -1.674 -0.763 1.00 64.41 C ATOM 739 O THR A 49 10.988 -1.535 -0.427 1.00 52.33 O ATOM 740 CB THR A 49 13.692 0.269 -1.098 1.00 11.53 C ATOM 741 OG1 THR A 49 14.200 -0.312 -2.304 1.00 13.41 O ATOM 742 CG2 THR A 49 14.753 1.163 -0.473 1.00 62.23 C ATOM 0 H THR A 49 15.298 -1.342 -0.072 1.00 4.55 H new ATOM 0 HA THR A 49 12.882 -0.382 0.794 1.00 53.51 H new ATOM 0 HB THR A 49 12.817 0.877 -1.329 1.00 11.53 H new ATOM 0 HG1 THR A 49 14.468 0.400 -2.922 1.00 13.41 H new ATOM 0 HG21 THR A 49 15.040 1.939 -1.183 1.00 62.23 H new ATOM 0 HG22 THR A 49 14.353 1.627 0.429 1.00 62.23 H new ATOM 0 HG23 THR A 49 15.627 0.565 -0.216 1.00 62.23 H new ATOM 750 N ALA A 50 12.553 -2.543 -1.690 1.00 73.24 N ATOM 751 CA ALA A 50 11.599 -3.403 -2.380 1.00 51.33 C ATOM 752 C ALA A 50 11.113 -4.525 -1.470 1.00 21.42 C ATOM 753 O ALA A 50 11.847 -4.992 -0.598 1.00 53.11 O ATOM 754 CB ALA A 50 12.224 -3.978 -3.643 1.00 13.41 C ATOM 0 H ALA A 50 13.523 -2.670 -1.980 1.00 73.24 H new ATOM 0 HA ALA A 50 10.737 -2.797 -2.658 1.00 51.33 H new ATOM 0 HB1 ALA A 50 11.501 -4.618 -4.148 1.00 13.41 H new ATOM 0 HB2 ALA A 50 12.515 -3.165 -4.308 1.00 13.41 H new ATOM 0 HB3 ALA A 50 13.105 -4.564 -3.379 1.00 13.41 H new ATOM 760 N ASP A 51 9.873 -4.954 -1.677 1.00 61.23 N ATOM 761 CA ASP A 51 9.289 -6.023 -0.875 1.00 3.10 C ATOM 762 C ASP A 51 9.258 -7.333 -1.655 1.00 70.35 C ATOM 763 O ASP A 51 9.828 -8.338 -1.227 1.00 14.45 O ATOM 764 CB ASP A 51 7.875 -5.644 -0.434 1.00 11.15 C ATOM 765 CG ASP A 51 7.459 -6.347 0.844 1.00 42.51 C ATOM 766 OD1 ASP A 51 6.281 -6.216 1.236 1.00 0.31 O ATOM 767 OD2 ASP A 51 8.312 -7.027 1.452 1.00 3.40 O ATOM 0 H ASP A 51 9.252 -4.578 -2.394 1.00 61.23 H new ATOM 0 HA ASP A 51 9.912 -6.162 0.009 1.00 3.10 H new ATOM 0 HB2 ASP A 51 7.820 -4.565 -0.286 1.00 11.15 H new ATOM 0 HB3 ASP A 51 7.171 -5.893 -1.228 1.00 11.15 H new ATOM 772 N LEU A 52 8.588 -7.317 -2.803 1.00 3.44 N ATOM 773 CA LEU A 52 8.481 -8.504 -3.643 1.00 43.15 C ATOM 774 C LEU A 52 9.421 -8.410 -4.841 1.00 5.31 C ATOM 775 O LEU A 52 9.830 -7.318 -5.238 1.00 43.15 O ATOM 776 CB LEU A 52 7.041 -8.684 -4.125 1.00 34.13 C ATOM 777 CG LEU A 52 6.370 -10.007 -3.754 1.00 73.23 C ATOM 778 CD1 LEU A 52 7.008 -11.160 -4.514 1.00 33.14 C ATOM 779 CD2 LEU A 52 6.451 -10.245 -2.253 1.00 41.34 C ATOM 0 H LEU A 52 8.111 -6.495 -3.173 1.00 3.44 H new ATOM 0 HA LEU A 52 8.769 -9.369 -3.045 1.00 43.15 H new ATOM 0 HB2 LEU A 52 6.440 -7.869 -3.722 1.00 34.13 H new ATOM 0 HB3 LEU A 52 7.027 -8.584 -5.210 1.00 34.13 H new ATOM 0 HG LEU A 52 5.319 -9.950 -4.036 1.00 73.23 H new ATOM 0 HD11 LEU A 52 6.518 -12.094 -4.237 1.00 33.14 H new ATOM 0 HD12 LEU A 52 6.897 -10.995 -5.586 1.00 33.14 H new ATOM 0 HD13 LEU A 52 8.067 -11.219 -4.264 1.00 33.14 H new ATOM 0 HD21 LEU A 52 5.968 -11.191 -2.008 1.00 41.34 H new ATOM 0 HD22 LEU A 52 7.496 -10.281 -1.946 1.00 41.34 H new ATOM 0 HD23 LEU A 52 5.946 -9.434 -1.728 1.00 41.34 H new ATOM 791 N LEU A 53 9.759 -9.560 -5.413 1.00 41.12 N ATOM 792 CA LEU A 53 10.650 -9.608 -6.568 1.00 15.32 C ATOM 793 C LEU A 53 10.370 -10.842 -7.420 1.00 43.51 C ATOM 794 O LEU A 53 10.225 -11.948 -6.901 1.00 23.15 O ATOM 795 CB LEU A 53 12.109 -9.609 -6.111 1.00 24.10 C ATOM 796 CG LEU A 53 13.155 -9.818 -7.207 1.00 23.44 C ATOM 797 CD1 LEU A 53 13.284 -8.571 -8.067 1.00 3.12 C ATOM 798 CD2 LEU A 53 14.499 -10.189 -6.597 1.00 24.50 C ATOM 0 H LEU A 53 9.430 -10.472 -5.096 1.00 41.12 H new ATOM 0 HA LEU A 53 10.467 -8.721 -7.175 1.00 15.32 H new ATOM 0 HB2 LEU A 53 12.315 -8.660 -5.616 1.00 24.10 H new ATOM 0 HB3 LEU A 53 12.234 -10.392 -5.363 1.00 24.10 H new ATOM 0 HG LEU A 53 12.827 -10.640 -7.843 1.00 23.44 H new ATOM 0 HD11 LEU A 53 14.033 -8.739 -8.841 1.00 3.12 H new ATOM 0 HD12 LEU A 53 12.324 -8.349 -8.533 1.00 3.12 H new ATOM 0 HD13 LEU A 53 13.588 -7.730 -7.444 1.00 3.12 H new ATOM 0 HD21 LEU A 53 15.231 -10.334 -7.391 1.00 24.50 H new ATOM 0 HD22 LEU A 53 14.833 -9.388 -5.937 1.00 24.50 H new ATOM 0 HD23 LEU A 53 14.397 -11.111 -6.025 1.00 24.50 H new ATOM 810 N VAL A 54 10.298 -10.644 -8.733 1.00 3.24 N ATOM 811 CA VAL A 54 10.040 -11.741 -9.658 1.00 1.41 C ATOM 812 C VAL A 54 11.171 -11.884 -10.670 1.00 2.30 C ATOM 813 O VAL A 54 11.458 -10.960 -11.433 1.00 31.41 O ATOM 814 CB VAL A 54 8.713 -11.537 -10.413 1.00 20.41 C ATOM 815 CG1 VAL A 54 8.368 -12.774 -11.229 1.00 13.14 C ATOM 816 CG2 VAL A 54 7.593 -11.201 -9.440 1.00 2.50 C ATOM 0 H VAL A 54 10.415 -9.734 -9.179 1.00 3.24 H new ATOM 0 HA VAL A 54 9.974 -12.650 -9.061 1.00 1.41 H new ATOM 0 HB VAL A 54 8.830 -10.699 -11.100 1.00 20.41 H new ATOM 0 HG11 VAL A 54 7.428 -12.612 -11.756 1.00 13.14 H new ATOM 0 HG12 VAL A 54 9.161 -12.965 -11.952 1.00 13.14 H new ATOM 0 HG13 VAL A 54 8.268 -13.632 -10.564 1.00 13.14 H new ATOM 0 HG21 VAL A 54 6.663 -11.060 -9.991 1.00 2.50 H new ATOM 0 HG22 VAL A 54 7.473 -12.017 -8.728 1.00 2.50 H new ATOM 0 HG23 VAL A 54 7.840 -10.285 -8.904 1.00 2.50 H new ATOM 826 N THR A 55 11.812 -13.048 -10.672 1.00 62.53 N ATOM 827 CA THR A 55 12.913 -13.313 -11.590 1.00 71.20 C ATOM 828 C THR A 55 12.954 -14.784 -11.990 1.00 11.32 C ATOM 829 O THR A 55 12.896 -15.672 -11.138 1.00 54.35 O ATOM 830 CB THR A 55 14.268 -12.924 -10.969 1.00 52.24 C ATOM 831 OG1 THR A 55 15.339 -13.415 -11.784 1.00 12.54 O ATOM 832 CG2 THR A 55 14.398 -13.482 -9.560 1.00 62.24 C ATOM 0 H THR A 55 11.588 -13.823 -10.048 1.00 62.53 H new ATOM 0 HA THR A 55 12.739 -12.703 -12.476 1.00 71.20 H new ATOM 0 HB THR A 55 14.321 -11.836 -10.917 1.00 52.24 H new ATOM 0 HG1 THR A 55 15.433 -12.847 -12.577 1.00 12.54 H new ATOM 0 HG21 THR A 55 15.363 -13.194 -9.142 1.00 62.24 H new ATOM 0 HG22 THR A 55 13.599 -13.083 -8.935 1.00 62.24 H new ATOM 0 HG23 THR A 55 14.326 -14.569 -9.591 1.00 62.24 H new ATOM 840 N THR A 56 13.055 -15.036 -13.291 1.00 42.12 N ATOM 841 CA THR A 56 13.104 -16.399 -13.804 1.00 34.30 C ATOM 842 C THR A 56 14.429 -17.069 -13.460 1.00 61.24 C ATOM 843 O THR A 56 14.463 -18.235 -13.067 1.00 14.33 O ATOM 844 CB THR A 56 12.905 -16.432 -15.331 1.00 64.52 C ATOM 845 OG1 THR A 56 14.081 -15.946 -15.988 1.00 53.44 O ATOM 846 CG2 THR A 56 11.705 -15.592 -15.739 1.00 50.04 C ATOM 0 H THR A 56 13.104 -14.313 -14.009 1.00 42.12 H new ATOM 0 HA THR A 56 12.290 -16.945 -13.328 1.00 34.30 H new ATOM 0 HB THR A 56 12.723 -17.464 -15.630 1.00 64.52 H new ATOM 0 HG1 THR A 56 13.895 -15.070 -16.386 1.00 53.44 H new ATOM 0 HG21 THR A 56 11.585 -15.631 -16.822 1.00 50.04 H new ATOM 0 HG22 THR A 56 10.807 -15.983 -15.260 1.00 50.04 H new ATOM 0 HG23 THR A 56 11.861 -14.559 -15.428 1.00 50.04 H new ATOM 854 N ALA A 57 15.520 -16.325 -13.611 1.00 53.22 N ATOM 855 CA ALA A 57 16.848 -16.847 -13.314 1.00 12.51 C ATOM 856 C ALA A 57 16.956 -17.273 -11.854 1.00 31.11 C ATOM 857 O ALA A 57 15.991 -17.177 -11.097 1.00 33.44 O ATOM 858 CB ALA A 57 17.909 -15.807 -13.642 1.00 10.41 C ATOM 0 H ALA A 57 15.510 -15.359 -13.937 1.00 53.22 H new ATOM 0 HA ALA A 57 17.013 -17.727 -13.935 1.00 12.51 H new ATOM 0 HB1 ALA A 57 18.896 -16.210 -13.415 1.00 10.41 H new ATOM 0 HB2 ALA A 57 17.855 -15.553 -14.701 1.00 10.41 H new ATOM 0 HB3 ALA A 57 17.737 -14.911 -13.045 1.00 10.41 H new ATOM 864 N MET A 58 18.136 -17.745 -11.466 1.00 3.21 N ATOM 865 CA MET A 58 18.370 -18.186 -10.096 1.00 13.34 C ATOM 866 C MET A 58 19.684 -17.626 -9.561 1.00 21.02 C ATOM 867 O MET A 58 20.443 -16.989 -10.292 1.00 1.42 O ATOM 868 CB MET A 58 18.386 -19.714 -10.025 1.00 1.24 C ATOM 869 CG MET A 58 17.016 -20.346 -10.212 1.00 2.43 C ATOM 870 SD MET A 58 16.588 -20.574 -11.948 1.00 51.22 S ATOM 871 CE MET A 58 16.818 -22.341 -12.124 1.00 71.42 C ATOM 0 H MET A 58 18.945 -17.832 -12.081 1.00 3.21 H new ATOM 0 HA MET A 58 17.557 -17.810 -9.476 1.00 13.34 H new ATOM 0 HB2 MET A 58 19.061 -20.098 -10.789 1.00 1.24 H new ATOM 0 HB3 MET A 58 18.790 -20.020 -9.060 1.00 1.24 H new ATOM 0 HG2 MET A 58 16.993 -21.311 -9.706 1.00 2.43 H new ATOM 0 HG3 MET A 58 16.263 -19.719 -9.735 1.00 2.43 H new ATOM 0 HE1 MET A 58 16.591 -22.637 -13.148 1.00 71.42 H new ATOM 0 HE2 MET A 58 17.852 -22.598 -11.893 1.00 71.42 H new ATOM 0 HE3 MET A 58 16.152 -22.865 -11.439 1.00 71.42 H new ATOM 881 N THR A 59 19.948 -17.868 -8.280 1.00 50.24 N ATOM 882 CA THR A 59 21.170 -17.387 -7.648 1.00 14.13 C ATOM 883 C THR A 59 21.283 -17.894 -6.215 1.00 22.32 C ATOM 884 O THR A 59 20.361 -18.521 -5.692 1.00 3.32 O ATOM 885 CB THR A 59 21.231 -15.848 -7.642 1.00 13.34 C ATOM 886 OG1 THR A 59 22.527 -15.411 -7.218 1.00 14.45 O ATOM 887 CG2 THR A 59 20.168 -15.268 -6.721 1.00 12.31 C ATOM 0 H THR A 59 19.332 -18.394 -7.661 1.00 50.24 H new ATOM 0 HA THR A 59 22.003 -17.774 -8.235 1.00 14.13 H new ATOM 0 HB THR A 59 21.043 -15.495 -8.656 1.00 13.34 H new ATOM 0 HG1 THR A 59 22.558 -14.432 -7.219 1.00 14.45 H new ATOM 0 HG21 THR A 59 20.230 -14.180 -6.733 1.00 12.31 H new ATOM 0 HG22 THR A 59 19.181 -15.579 -7.064 1.00 12.31 H new ATOM 0 HG23 THR A 59 20.330 -15.629 -5.705 1.00 12.31 H new ATOM 895 N LYS A 60 22.420 -17.620 -5.583 1.00 54.22 N ATOM 896 CA LYS A 60 22.654 -18.046 -4.209 1.00 20.51 C ATOM 897 C LYS A 60 21.506 -17.616 -3.302 1.00 54.20 C ATOM 898 O LYS A 60 20.860 -16.596 -3.543 1.00 14.33 O ATOM 899 CB LYS A 60 23.972 -17.466 -3.691 1.00 20.42 C ATOM 900 CG LYS A 60 24.485 -18.149 -2.434 1.00 53.34 C ATOM 901 CD LYS A 60 25.083 -19.511 -2.744 1.00 14.11 C ATOM 902 CE LYS A 60 26.102 -19.924 -1.694 1.00 2.24 C ATOM 903 NZ LYS A 60 25.449 -20.377 -0.435 1.00 20.45 N ATOM 0 H LYS A 60 23.194 -17.104 -6.002 1.00 54.22 H new ATOM 0 HA LYS A 60 22.713 -19.134 -4.198 1.00 20.51 H new ATOM 0 HB2 LYS A 60 24.727 -17.547 -4.473 1.00 20.42 H new ATOM 0 HB3 LYS A 60 23.837 -16.404 -3.488 1.00 20.42 H new ATOM 0 HG2 LYS A 60 25.237 -17.520 -1.958 1.00 53.34 H new ATOM 0 HG3 LYS A 60 23.668 -18.263 -1.721 1.00 53.34 H new ATOM 0 HD2 LYS A 60 24.288 -20.256 -2.794 1.00 14.11 H new ATOM 0 HD3 LYS A 60 25.559 -19.486 -3.724 1.00 14.11 H new ATOM 0 HE2 LYS A 60 26.725 -20.726 -2.089 1.00 2.24 H new ATOM 0 HE3 LYS A 60 26.762 -19.084 -1.479 1.00 2.24 H new ATOM 0 HZ1 LYS A 60 26.178 -20.650 0.255 1.00 20.45 H new ATOM 0 HZ2 LYS A 60 24.874 -19.603 -0.044 1.00 20.45 H new ATOM 0 HZ3 LYS A 60 24.838 -21.195 -0.635 1.00 20.45 H new ATOM 917 N LYS A 61 21.257 -18.399 -2.258 1.00 10.44 N ATOM 918 CA LYS A 61 20.188 -18.098 -1.312 1.00 45.53 C ATOM 919 C LYS A 61 20.564 -16.915 -0.425 1.00 25.54 C ATOM 920 O LYS A 61 21.055 -17.096 0.689 1.00 25.21 O ATOM 921 CB LYS A 61 19.885 -19.323 -0.447 1.00 10.31 C ATOM 922 CG LYS A 61 19.421 -20.530 -1.243 1.00 60.02 C ATOM 923 CD LYS A 61 19.146 -21.721 -0.341 1.00 33.04 C ATOM 924 CE LYS A 61 18.731 -22.945 -1.143 1.00 45.34 C ATOM 925 NZ LYS A 61 18.525 -24.135 -0.273 1.00 62.30 N ATOM 0 H LYS A 61 21.781 -19.248 -2.045 1.00 10.44 H new ATOM 0 HA LYS A 61 19.296 -17.834 -1.881 1.00 45.53 H new ATOM 0 HB2 LYS A 61 20.780 -19.591 0.115 1.00 10.31 H new ATOM 0 HB3 LYS A 61 19.118 -19.062 0.282 1.00 10.31 H new ATOM 0 HG2 LYS A 61 18.517 -20.276 -1.797 1.00 60.02 H new ATOM 0 HG3 LYS A 61 20.181 -20.797 -1.977 1.00 60.02 H new ATOM 0 HD2 LYS A 61 20.038 -21.952 0.241 1.00 33.04 H new ATOM 0 HD3 LYS A 61 18.359 -21.467 0.369 1.00 33.04 H new ATOM 0 HE2 LYS A 61 17.811 -22.728 -1.686 1.00 45.34 H new ATOM 0 HE3 LYS A 61 19.495 -23.168 -1.887 1.00 45.34 H new ATOM 0 HZ1 LYS A 61 18.243 -24.948 -0.857 1.00 62.30 H new ATOM 0 HZ2 LYS A 61 19.410 -24.358 0.226 1.00 62.30 H new ATOM 0 HZ3 LYS A 61 17.778 -23.932 0.421 1.00 62.30 H new ATOM 939 N GLU A 62 20.329 -15.707 -0.925 1.00 41.33 N ATOM 940 CA GLU A 62 20.643 -14.496 -0.176 1.00 1.21 C ATOM 941 C GLU A 62 19.586 -13.421 -0.412 1.00 2.35 C ATOM 942 O GLU A 62 19.899 -12.232 -0.482 1.00 42.04 O ATOM 943 CB GLU A 62 22.022 -13.966 -0.574 1.00 25.41 C ATOM 944 CG GLU A 62 23.161 -14.910 -0.224 1.00 72.35 C ATOM 945 CD GLU A 62 24.486 -14.469 -0.813 1.00 45.34 C ATOM 946 OE1 GLU A 62 24.635 -14.528 -2.052 1.00 24.13 O ATOM 947 OE2 GLU A 62 25.375 -14.063 -0.035 1.00 61.20 O ATOM 0 H GLU A 62 19.922 -15.540 -1.845 1.00 41.33 H new ATOM 0 HA GLU A 62 20.651 -14.748 0.885 1.00 1.21 H new ATOM 0 HB2 GLU A 62 22.034 -13.778 -1.648 1.00 25.41 H new ATOM 0 HB3 GLU A 62 22.190 -13.009 -0.081 1.00 25.41 H new ATOM 0 HG2 GLU A 62 23.253 -14.975 0.860 1.00 72.35 H new ATOM 0 HG3 GLU A 62 22.922 -15.911 -0.585 1.00 72.35 H new ATOM 954 N TYR A 63 18.334 -13.847 -0.533 1.00 20.14 N ATOM 955 CA TYR A 63 17.231 -12.922 -0.763 1.00 74.44 C ATOM 956 C TYR A 63 16.472 -12.646 0.531 1.00 52.20 C ATOM 957 O TYR A 63 16.326 -13.526 1.380 1.00 41.41 O ATOM 958 CB TYR A 63 16.276 -13.487 -1.817 1.00 31.35 C ATOM 959 CG TYR A 63 16.801 -13.379 -3.230 1.00 64.42 C ATOM 960 CD1 TYR A 63 16.813 -14.484 -4.074 1.00 5.43 C ATOM 961 CD2 TYR A 63 17.287 -12.174 -3.722 1.00 75.11 C ATOM 962 CE1 TYR A 63 17.293 -14.390 -5.366 1.00 22.11 C ATOM 963 CE2 TYR A 63 17.767 -12.071 -5.013 1.00 73.02 C ATOM 964 CZ TYR A 63 17.768 -13.182 -5.831 1.00 42.31 C ATOM 965 OH TYR A 63 18.247 -13.083 -7.117 1.00 61.44 O ATOM 0 H TYR A 63 18.058 -14.827 -0.476 1.00 20.14 H new ATOM 0 HA TYR A 63 17.648 -11.982 -1.125 1.00 74.44 H new ATOM 0 HB2 TYR A 63 16.078 -14.535 -1.591 1.00 31.35 H new ATOM 0 HB3 TYR A 63 15.324 -12.961 -1.751 1.00 31.35 H new ATOM 0 HD1 TYR A 63 16.441 -15.432 -3.713 1.00 5.43 H new ATOM 0 HD2 TYR A 63 17.290 -11.303 -3.084 1.00 75.11 H new ATOM 0 HE1 TYR A 63 17.296 -15.258 -6.008 1.00 22.11 H new ATOM 0 HE2 TYR A 63 18.139 -11.126 -5.380 1.00 73.02 H new ATOM 0 HH TYR A 63 18.542 -12.164 -7.286 1.00 61.44 H new ATOM 975 N LYS A 64 15.989 -11.416 0.675 1.00 63.21 N ATOM 976 CA LYS A 64 15.243 -11.021 1.864 1.00 41.15 C ATOM 977 C LYS A 64 13.747 -10.957 1.571 1.00 65.30 C ATOM 978 O LYS A 64 13.037 -10.101 2.099 1.00 23.42 O ATOM 979 CB LYS A 64 15.733 -9.662 2.370 1.00 72.23 C ATOM 980 CG LYS A 64 17.237 -9.594 2.570 1.00 12.30 C ATOM 981 CD LYS A 64 17.639 -8.356 3.355 1.00 62.24 C ATOM 982 CE LYS A 64 17.560 -8.597 4.854 1.00 11.13 C ATOM 983 NZ LYS A 64 18.812 -9.202 5.386 1.00 45.20 N ATOM 0 H LYS A 64 16.101 -10.675 -0.017 1.00 63.21 H new ATOM 0 HA LYS A 64 15.413 -11.772 2.636 1.00 41.15 H new ATOM 0 HB2 LYS A 64 15.434 -8.890 1.661 1.00 72.23 H new ATOM 0 HB3 LYS A 64 15.239 -9.436 3.315 1.00 72.23 H new ATOM 0 HG2 LYS A 64 17.576 -10.486 3.097 1.00 12.30 H new ATOM 0 HG3 LYS A 64 17.734 -9.588 1.600 1.00 12.30 H new ATOM 0 HD2 LYS A 64 18.655 -8.067 3.085 1.00 62.24 H new ATOM 0 HD3 LYS A 64 16.988 -7.525 3.084 1.00 62.24 H new ATOM 0 HE2 LYS A 64 17.368 -7.653 5.364 1.00 11.13 H new ATOM 0 HE3 LYS A 64 16.718 -9.254 5.072 1.00 11.13 H new ATOM 0 HZ1 LYS A 64 18.718 -9.350 6.411 1.00 45.20 H new ATOM 0 HZ2 LYS A 64 18.982 -10.115 4.918 1.00 45.20 H new ATOM 0 HZ3 LYS A 64 19.612 -8.564 5.201 1.00 45.20 H new ATOM 997 N PHE A 65 13.275 -11.869 0.727 1.00 11.05 N ATOM 998 CA PHE A 65 11.863 -11.916 0.365 1.00 21.53 C ATOM 999 C PHE A 65 11.556 -13.159 -0.465 1.00 62.13 C ATOM 1000 O PHE A 65 12.437 -13.756 -1.085 1.00 1.21 O ATOM 1001 CB PHE A 65 11.472 -10.659 -0.414 1.00 20.02 C ATOM 1002 CG PHE A 65 12.516 -10.215 -1.399 1.00 34.42 C ATOM 1003 CD1 PHE A 65 13.126 -8.978 -1.271 1.00 61.23 C ATOM 1004 CD2 PHE A 65 12.886 -11.035 -2.453 1.00 35.44 C ATOM 1005 CE1 PHE A 65 14.087 -8.567 -2.176 1.00 1.03 C ATOM 1006 CE2 PHE A 65 13.846 -10.630 -3.360 1.00 1.22 C ATOM 1007 CZ PHE A 65 14.447 -9.394 -3.222 1.00 13.40 C ATOM 0 H PHE A 65 13.849 -12.585 0.281 1.00 11.05 H new ATOM 0 HA PHE A 65 11.279 -11.961 1.284 1.00 21.53 H new ATOM 0 HB2 PHE A 65 10.539 -10.846 -0.945 1.00 20.02 H new ATOM 0 HB3 PHE A 65 11.281 -9.849 0.290 1.00 20.02 H new ATOM 0 HD1 PHE A 65 12.848 -8.327 -0.455 1.00 61.23 H new ATOM 0 HD2 PHE A 65 12.418 -12.002 -2.567 1.00 35.44 H new ATOM 0 HE1 PHE A 65 14.556 -7.600 -2.065 1.00 1.03 H new ATOM 0 HE2 PHE A 65 14.126 -11.279 -4.176 1.00 1.22 H new ATOM 0 HZ PHE A 65 15.197 -9.075 -3.931 1.00 13.40 H new ATOM 1017 N PRO A 66 10.276 -13.560 -0.479 1.00 2.21 N ATOM 1018 CA PRO A 66 9.822 -14.735 -1.229 1.00 5.30 C ATOM 1019 C PRO A 66 9.872 -14.514 -2.737 1.00 73.30 C ATOM 1020 O PRO A 66 8.890 -14.087 -3.345 1.00 32.34 O ATOM 1021 CB PRO A 66 8.376 -14.917 -0.762 1.00 41.41 C ATOM 1022 CG PRO A 66 7.946 -13.559 -0.325 1.00 33.25 C ATOM 1023 CD PRO A 66 9.173 -12.896 0.236 1.00 23.45 C ATOM 0 HA PRO A 66 10.455 -15.604 -1.048 1.00 5.30 H new ATOM 0 HB2 PRO A 66 7.744 -15.293 -1.567 1.00 41.41 H new ATOM 0 HB3 PRO A 66 8.311 -15.635 0.055 1.00 41.41 H new ATOM 0 HG2 PRO A 66 7.543 -12.989 -1.162 1.00 33.25 H new ATOM 0 HG3 PRO A 66 7.159 -13.622 0.426 1.00 33.25 H new ATOM 0 HD2 PRO A 66 9.167 -11.821 0.056 1.00 23.45 H new ATOM 0 HD3 PRO A 66 9.249 -13.038 1.314 1.00 23.45 H new ATOM 1031 N VAL A 67 11.021 -14.809 -3.336 1.00 42.43 N ATOM 1032 CA VAL A 67 11.198 -14.644 -4.774 1.00 52.02 C ATOM 1033 C VAL A 67 10.327 -15.625 -5.551 1.00 21.33 C ATOM 1034 O VAL A 67 10.089 -16.747 -5.103 1.00 74.42 O ATOM 1035 CB VAL A 67 12.669 -14.843 -5.185 1.00 73.14 C ATOM 1036 CG1 VAL A 67 12.844 -14.599 -6.676 1.00 62.05 C ATOM 1037 CG2 VAL A 67 13.576 -13.928 -4.377 1.00 21.33 C ATOM 0 H VAL A 67 11.843 -15.164 -2.848 1.00 42.43 H new ATOM 0 HA VAL A 67 10.896 -13.625 -5.015 1.00 52.02 H new ATOM 0 HB VAL A 67 12.951 -15.875 -4.974 1.00 73.14 H new ATOM 0 HG11 VAL A 67 13.889 -14.744 -6.948 1.00 62.05 H new ATOM 0 HG12 VAL A 67 12.223 -15.299 -7.235 1.00 62.05 H new ATOM 0 HG13 VAL A 67 12.545 -13.578 -6.915 1.00 62.05 H new ATOM 0 HG21 VAL A 67 14.612 -14.082 -4.680 1.00 21.33 H new ATOM 0 HG22 VAL A 67 13.296 -12.890 -4.554 1.00 21.33 H new ATOM 0 HG23 VAL A 67 13.471 -14.156 -3.316 1.00 21.33 H new ATOM 1047 N ILE A 68 9.856 -15.195 -6.716 1.00 73.32 N ATOM 1048 CA ILE A 68 9.013 -16.037 -7.556 1.00 34.00 C ATOM 1049 C ILE A 68 9.526 -16.071 -8.992 1.00 13.35 C ATOM 1050 O ILE A 68 9.883 -15.039 -9.558 1.00 4.22 O ATOM 1051 CB ILE A 68 7.552 -15.549 -7.556 1.00 51.31 C ATOM 1052 CG1 ILE A 68 6.992 -15.547 -6.132 1.00 74.53 C ATOM 1053 CG2 ILE A 68 6.701 -16.423 -8.465 1.00 43.02 C ATOM 1054 CD1 ILE A 68 6.232 -14.287 -5.783 1.00 0.10 C ATOM 0 H ILE A 68 10.044 -14.269 -7.100 1.00 73.32 H new ATOM 0 HA ILE A 68 9.052 -17.042 -7.135 1.00 34.00 H new ATOM 0 HB ILE A 68 7.525 -14.528 -7.938 1.00 51.31 H new ATOM 0 HG12 ILE A 68 6.332 -16.406 -6.009 1.00 74.53 H new ATOM 0 HG13 ILE A 68 7.814 -15.673 -5.427 1.00 74.53 H new ATOM 0 HG21 ILE A 68 5.671 -16.065 -8.454 1.00 43.02 H new ATOM 0 HG22 ILE A 68 7.090 -16.377 -9.482 1.00 43.02 H new ATOM 0 HG23 ILE A 68 6.731 -17.453 -8.111 1.00 43.02 H new ATOM 0 HD11 ILE A 68 5.864 -14.356 -4.759 1.00 0.10 H new ATOM 0 HD12 ILE A 68 6.894 -13.426 -5.874 1.00 0.10 H new ATOM 0 HD13 ILE A 68 5.389 -14.170 -6.464 1.00 0.10 H new ATOM 1066 N ASN A 69 9.557 -17.264 -9.575 1.00 60.41 N ATOM 1067 CA ASN A 69 10.025 -17.433 -10.946 1.00 41.11 C ATOM 1068 C ASN A 69 8.962 -16.982 -11.943 1.00 42.51 C ATOM 1069 O ASN A 69 7.771 -17.224 -11.749 1.00 5.55 O ATOM 1070 CB ASN A 69 10.395 -18.895 -11.205 1.00 0.23 C ATOM 1071 CG ASN A 69 9.299 -19.853 -10.779 1.00 2.45 C ATOM 1072 OD1 ASN A 69 9.293 -20.343 -9.650 1.00 32.35 O ATOM 1073 ND2 ASN A 69 8.365 -20.123 -11.683 1.00 63.11 N ATOM 0 H ASN A 69 9.264 -18.128 -9.120 1.00 60.41 H new ATOM 0 HA ASN A 69 10.911 -16.812 -11.080 1.00 41.11 H new ATOM 0 HB2 ASN A 69 10.601 -19.032 -12.266 1.00 0.23 H new ATOM 0 HB3 ASN A 69 11.313 -19.135 -10.668 1.00 0.23 H new ATOM 0 HD21 ASN A 69 7.602 -20.760 -11.453 1.00 63.11 H new ATOM 0 HD22 ASN A 69 8.410 -19.693 -12.607 1.00 63.11 H new ATOM 1080 N ALA A 70 9.402 -16.325 -13.012 1.00 11.34 N ATOM 1081 CA ALA A 70 8.489 -15.842 -14.041 1.00 4.15 C ATOM 1082 C ALA A 70 8.578 -16.698 -15.299 1.00 64.41 C ATOM 1083 O ALA A 70 8.454 -16.193 -16.415 1.00 23.40 O ATOM 1084 CB ALA A 70 8.786 -14.386 -14.368 1.00 63.14 C ATOM 0 H ALA A 70 10.385 -16.115 -13.188 1.00 11.34 H new ATOM 0 HA ALA A 70 7.472 -15.916 -13.655 1.00 4.15 H new ATOM 0 HB1 ALA A 70 8.097 -14.038 -15.138 1.00 63.14 H new ATOM 0 HB2 ALA A 70 8.664 -13.779 -13.471 1.00 63.14 H new ATOM 0 HB3 ALA A 70 9.810 -14.296 -14.730 1.00 63.14 H new ATOM 1090 N ARG A 71 8.795 -17.996 -15.112 1.00 33.31 N ATOM 1091 CA ARG A 71 8.902 -18.922 -16.233 1.00 23.33 C ATOM 1092 C ARG A 71 7.636 -18.895 -17.084 1.00 43.32 C ATOM 1093 O ARG A 71 7.696 -19.023 -18.306 1.00 54.22 O ATOM 1094 CB ARG A 71 9.158 -20.343 -15.726 1.00 13.24 C ATOM 1095 CG ARG A 71 10.597 -20.590 -15.305 1.00 44.32 C ATOM 1096 CD ARG A 71 10.701 -21.751 -14.329 1.00 2.23 C ATOM 1097 NE ARG A 71 10.336 -23.022 -14.949 1.00 1.32 N ATOM 1098 CZ ARG A 71 10.695 -24.206 -14.465 1.00 4.50 C ATOM 1099 NH1 ARG A 71 11.425 -24.280 -13.361 1.00 22.24 N ATOM 1100 NH2 ARG A 71 10.324 -25.318 -15.086 1.00 2.21 N ATOM 0 H ARG A 71 8.900 -18.430 -14.195 1.00 33.31 H new ATOM 0 HA ARG A 71 9.742 -18.607 -16.852 1.00 23.33 H new ATOM 0 HB2 ARG A 71 8.502 -20.541 -14.879 1.00 13.24 H new ATOM 0 HB3 ARG A 71 8.891 -21.053 -16.509 1.00 13.24 H new ATOM 0 HG2 ARG A 71 11.204 -20.798 -16.186 1.00 44.32 H new ATOM 0 HG3 ARG A 71 11.002 -19.689 -14.845 1.00 44.32 H new ATOM 0 HD2 ARG A 71 11.720 -21.813 -13.947 1.00 2.23 H new ATOM 0 HD3 ARG A 71 10.051 -21.565 -13.474 1.00 2.23 H new ATOM 0 HE ARG A 71 9.775 -22.999 -15.800 1.00 1.32 H new ATOM 0 HH11 ARG A 71 11.712 -23.427 -12.881 1.00 22.24 H new ATOM 0 HH12 ARG A 71 11.699 -25.190 -12.991 1.00 22.24 H new ATOM 0 HH21 ARG A 71 9.763 -25.264 -15.936 1.00 2.21 H new ATOM 0 HH22 ARG A 71 10.600 -26.227 -14.714 1.00 2.21 H new ATOM 1114 N ASN A 72 6.492 -18.727 -16.429 1.00 22.21 N ATOM 1115 CA ASN A 72 5.212 -18.684 -17.126 1.00 34.04 C ATOM 1116 C ASN A 72 5.109 -17.437 -17.999 1.00 22.04 C ATOM 1117 O ASN A 72 4.274 -17.364 -18.900 1.00 61.34 O ATOM 1118 CB ASN A 72 4.059 -18.712 -16.120 1.00 20.12 C ATOM 1119 CG ASN A 72 4.086 -17.525 -15.177 1.00 15.23 C ATOM 1120 OD1 ASN A 72 5.133 -17.172 -14.634 1.00 51.15 O ATOM 1121 ND2 ASN A 72 2.930 -16.902 -14.977 1.00 34.42 N ATOM 0 H ASN A 72 6.425 -18.618 -15.417 1.00 22.21 H new ATOM 0 HA ASN A 72 5.147 -19.562 -17.769 1.00 34.04 H new ATOM 0 HB2 ASN A 72 3.111 -18.724 -16.658 1.00 20.12 H new ATOM 0 HB3 ASN A 72 4.108 -19.634 -15.541 1.00 20.12 H new ATOM 0 HD21 ASN A 72 2.886 -16.097 -14.352 1.00 34.42 H new ATOM 0 HD22 ASN A 72 2.086 -17.229 -15.448 1.00 34.42 H new ATOM 1128 N PHE A 73 5.965 -16.458 -17.725 1.00 13.33 N ATOM 1129 CA PHE A 73 5.971 -15.213 -18.485 1.00 33.15 C ATOM 1130 C PHE A 73 6.931 -15.302 -19.667 1.00 22.31 C ATOM 1131 O PHE A 73 7.608 -14.331 -20.007 1.00 13.32 O ATOM 1132 CB PHE A 73 6.363 -14.042 -17.582 1.00 12.42 C ATOM 1133 CG PHE A 73 5.301 -13.670 -16.587 1.00 30.15 C ATOM 1134 CD1 PHE A 73 5.227 -14.311 -15.360 1.00 45.03 C ATOM 1135 CD2 PHE A 73 4.376 -12.680 -16.878 1.00 30.44 C ATOM 1136 CE1 PHE A 73 4.252 -13.971 -14.442 1.00 72.30 C ATOM 1137 CE2 PHE A 73 3.398 -12.336 -15.963 1.00 64.32 C ATOM 1138 CZ PHE A 73 3.335 -12.983 -14.744 1.00 64.35 C ATOM 0 H PHE A 73 6.663 -16.503 -16.983 1.00 13.33 H new ATOM 0 HA PHE A 73 4.965 -15.046 -18.869 1.00 33.15 H new ATOM 0 HB2 PHE A 73 7.278 -14.297 -17.047 1.00 12.42 H new ATOM 0 HB3 PHE A 73 6.588 -13.175 -18.203 1.00 12.42 H new ATOM 0 HD1 PHE A 73 5.940 -15.085 -15.119 1.00 45.03 H new ATOM 0 HD2 PHE A 73 4.419 -12.172 -17.830 1.00 30.44 H new ATOM 0 HE1 PHE A 73 4.207 -14.477 -13.489 1.00 72.30 H new ATOM 0 HE2 PHE A 73 2.684 -11.562 -16.201 1.00 64.32 H new ATOM 0 HZ PHE A 73 2.571 -12.717 -14.029 1.00 64.35 H new ATOM 1148 N LEU A 74 6.986 -16.475 -20.289 1.00 51.54 N ATOM 1149 CA LEU A 74 7.864 -16.693 -21.434 1.00 53.31 C ATOM 1150 C LEU A 74 7.053 -16.914 -22.707 1.00 43.43 C ATOM 1151 O LEU A 74 7.459 -16.501 -23.794 1.00 52.35 O ATOM 1152 CB LEU A 74 8.775 -17.895 -21.181 1.00 42.20 C ATOM 1153 CG LEU A 74 10.235 -17.731 -21.604 1.00 44.31 C ATOM 1154 CD1 LEU A 74 10.966 -16.798 -20.651 1.00 13.52 C ATOM 1155 CD2 LEU A 74 10.929 -19.084 -21.664 1.00 74.01 C ATOM 0 H LEU A 74 6.434 -17.289 -20.020 1.00 51.54 H new ATOM 0 HA LEU A 74 8.477 -15.802 -21.566 1.00 53.31 H new ATOM 0 HB2 LEU A 74 8.750 -18.127 -20.116 1.00 42.20 H new ATOM 0 HB3 LEU A 74 8.360 -18.756 -21.705 1.00 42.20 H new ATOM 0 HG LEU A 74 10.256 -17.289 -22.600 1.00 44.31 H new ATOM 0 HD11 LEU A 74 12.004 -16.694 -20.968 1.00 13.52 H new ATOM 0 HD12 LEU A 74 10.484 -15.820 -20.658 1.00 13.52 H new ATOM 0 HD13 LEU A 74 10.935 -17.210 -19.643 1.00 13.52 H new ATOM 0 HD21 LEU A 74 11.967 -18.947 -21.967 1.00 74.01 H new ATOM 0 HD22 LEU A 74 10.897 -19.553 -20.681 1.00 74.01 H new ATOM 0 HD23 LEU A 74 10.421 -19.722 -22.387 1.00 74.01 H new ATOM 1167 N THR A 75 5.904 -17.566 -22.565 1.00 72.25 N ATOM 1168 CA THR A 75 5.035 -17.841 -23.703 1.00 65.13 C ATOM 1169 C THR A 75 3.985 -16.749 -23.870 1.00 2.01 C ATOM 1170 O THR A 75 3.608 -16.402 -24.988 1.00 62.14 O ATOM 1171 CB THR A 75 4.327 -19.201 -23.554 1.00 12.54 C ATOM 1172 OG1 THR A 75 3.948 -19.408 -22.188 1.00 52.34 O ATOM 1173 CG2 THR A 75 5.230 -20.335 -24.012 1.00 64.21 C ATOM 0 H THR A 75 5.553 -17.914 -21.673 1.00 72.25 H new ATOM 0 HA THR A 75 5.672 -17.867 -24.587 1.00 65.13 H new ATOM 0 HB THR A 75 3.436 -19.192 -24.181 1.00 12.54 H new ATOM 0 HG1 THR A 75 3.497 -20.274 -22.101 1.00 52.34 H new ATOM 0 HG21 THR A 75 4.708 -21.285 -23.897 1.00 64.21 H new ATOM 0 HG22 THR A 75 5.493 -20.190 -25.060 1.00 64.21 H new ATOM 0 HG23 THR A 75 6.137 -20.344 -23.408 1.00 64.21 H new ATOM 1181 N GLY A 76 3.516 -16.209 -22.749 1.00 30.21 N ATOM 1182 CA GLY A 76 2.513 -15.161 -22.793 1.00 44.13 C ATOM 1183 C GLY A 76 1.226 -15.561 -22.101 1.00 14.42 C ATOM 1184 O GLY A 76 0.516 -14.713 -21.559 1.00 13.21 O ATOM 0 H GLY A 76 3.813 -16.479 -21.811 1.00 30.21 H new ATOM 0 HA2 GLY A 76 2.911 -14.262 -22.322 1.00 44.13 H new ATOM 0 HA3 GLY A 76 2.300 -14.909 -23.832 1.00 44.13 H new ATOM 1188 N ILE A 77 0.922 -16.854 -22.120 1.00 24.14 N ATOM 1189 CA ILE A 77 -0.289 -17.364 -21.489 1.00 50.51 C ATOM 1190 C ILE A 77 0.032 -18.087 -20.186 1.00 21.40 C ATOM 1191 O ILE A 77 1.119 -18.639 -20.022 1.00 23.13 O ATOM 1192 CB ILE A 77 -1.049 -18.324 -22.423 1.00 65.11 C ATOM 1193 CG1 ILE A 77 -1.181 -17.714 -23.820 1.00 10.31 C ATOM 1194 CG2 ILE A 77 -2.419 -18.648 -21.848 1.00 75.05 C ATOM 1195 CD1 ILE A 77 -1.966 -16.421 -23.842 1.00 74.15 C ATOM 0 H ILE A 77 1.498 -17.568 -22.566 1.00 24.14 H new ATOM 0 HA ILE A 77 -0.921 -16.502 -21.276 1.00 50.51 H new ATOM 0 HB ILE A 77 -0.483 -19.252 -22.505 1.00 65.11 H new ATOM 0 HG12 ILE A 77 -0.185 -17.532 -24.224 1.00 10.31 H new ATOM 0 HG13 ILE A 77 -1.665 -18.435 -24.478 1.00 10.31 H new ATOM 0 HG21 ILE A 77 -2.944 -19.327 -22.519 1.00 75.05 H new ATOM 0 HG22 ILE A 77 -2.302 -19.120 -20.873 1.00 75.05 H new ATOM 0 HG23 ILE A 77 -2.995 -17.729 -21.739 1.00 75.05 H new ATOM 0 HD11 ILE A 77 -2.020 -16.045 -24.864 1.00 74.15 H new ATOM 0 HD12 ILE A 77 -2.974 -16.601 -23.468 1.00 74.15 H new ATOM 0 HD13 ILE A 77 -1.471 -15.684 -23.210 1.00 74.15 H new ATOM 1207 N GLY A 78 -0.923 -18.082 -19.261 1.00 75.44 N ATOM 1208 CA GLY A 78 -0.724 -18.743 -17.985 1.00 21.12 C ATOM 1209 C GLY A 78 -0.212 -17.798 -16.916 1.00 44.34 C ATOM 1210 O GLY A 78 0.378 -18.231 -15.926 1.00 42.11 O ATOM 0 H GLY A 78 -1.831 -17.632 -19.373 1.00 75.44 H new ATOM 0 HA2 GLY A 78 -1.666 -19.182 -17.656 1.00 21.12 H new ATOM 0 HA3 GLY A 78 -0.016 -19.563 -18.110 1.00 21.12 H new ATOM 1214 N ILE A 79 -0.435 -16.503 -17.117 1.00 72.54 N ATOM 1215 CA ILE A 79 0.009 -15.495 -16.163 1.00 51.13 C ATOM 1216 C ILE A 79 -0.783 -15.582 -14.863 1.00 2.11 C ATOM 1217 O ILE A 79 -0.243 -15.357 -13.780 1.00 41.14 O ATOM 1218 CB ILE A 79 -0.129 -14.074 -16.741 1.00 51.01 C ATOM 1219 CG1 ILE A 79 0.763 -13.912 -17.973 1.00 63.14 C ATOM 1220 CG2 ILE A 79 0.223 -13.037 -15.685 1.00 40.55 C ATOM 1221 CD1 ILE A 79 0.556 -12.603 -18.702 1.00 11.43 C ATOM 0 H ILE A 79 -0.920 -16.128 -17.932 1.00 72.54 H new ATOM 0 HA ILE A 79 1.061 -15.695 -15.959 1.00 51.13 H new ATOM 0 HB ILE A 79 -1.165 -13.919 -17.043 1.00 51.01 H new ATOM 0 HG12 ILE A 79 1.807 -13.987 -17.668 1.00 63.14 H new ATOM 0 HG13 ILE A 79 0.572 -14.736 -18.661 1.00 63.14 H new ATOM 0 HG21 ILE A 79 0.121 -12.038 -16.108 1.00 40.55 H new ATOM 0 HG22 ILE A 79 -0.450 -13.141 -14.834 1.00 40.55 H new ATOM 0 HG23 ILE A 79 1.251 -13.188 -15.355 1.00 40.55 H new ATOM 0 HD11 ILE A 79 1.221 -12.558 -19.564 1.00 11.43 H new ATOM 0 HD12 ILE A 79 -0.479 -12.533 -19.038 1.00 11.43 H new ATOM 0 HD13 ILE A 79 0.776 -11.774 -18.030 1.00 11.43 H new ATOM 1233 N GLU A 80 -2.065 -15.912 -14.978 1.00 55.33 N ATOM 1234 CA GLU A 80 -2.931 -16.030 -13.811 1.00 12.42 C ATOM 1235 C GLU A 80 -2.527 -17.225 -12.952 1.00 52.24 C ATOM 1236 O GLU A 80 -2.612 -17.177 -11.726 1.00 31.32 O ATOM 1237 CB GLU A 80 -4.392 -16.169 -14.244 1.00 32.14 C ATOM 1238 CG GLU A 80 -4.997 -14.878 -14.770 1.00 20.41 C ATOM 1239 CD GLU A 80 -6.513 -14.912 -14.794 1.00 2.54 C ATOM 1240 OE1 GLU A 80 -7.077 -15.736 -15.543 1.00 52.50 O ATOM 1241 OE2 GLU A 80 -7.134 -14.113 -14.062 1.00 15.12 O ATOM 0 H GLU A 80 -2.527 -16.102 -15.867 1.00 55.33 H new ATOM 0 HA GLU A 80 -2.821 -15.123 -13.216 1.00 12.42 H new ATOM 0 HB2 GLU A 80 -4.462 -16.934 -15.017 1.00 32.14 H new ATOM 0 HB3 GLU A 80 -4.982 -16.518 -13.396 1.00 32.14 H new ATOM 0 HG2 GLU A 80 -4.666 -14.046 -14.148 1.00 20.41 H new ATOM 0 HG3 GLU A 80 -4.625 -14.691 -15.777 1.00 20.41 H new ATOM 1248 N GLU A 81 -2.088 -18.295 -13.607 1.00 75.25 N ATOM 1249 CA GLU A 81 -1.673 -19.503 -12.904 1.00 61.13 C ATOM 1250 C GLU A 81 -0.661 -19.175 -11.810 1.00 41.13 C ATOM 1251 O GLU A 81 -0.661 -19.789 -10.743 1.00 31.20 O ATOM 1252 CB GLU A 81 -1.070 -20.510 -13.886 1.00 53.14 C ATOM 1253 CG GLU A 81 -2.046 -20.979 -14.953 1.00 0.23 C ATOM 1254 CD GLU A 81 -3.327 -21.538 -14.366 1.00 14.04 C ATOM 1255 OE1 GLU A 81 -3.256 -22.565 -13.658 1.00 13.42 O ATOM 1256 OE2 GLU A 81 -4.400 -20.950 -14.614 1.00 15.12 O ATOM 0 H GLU A 81 -2.011 -18.350 -14.623 1.00 75.25 H new ATOM 0 HA GLU A 81 -2.555 -19.943 -12.439 1.00 61.13 H new ATOM 0 HB2 GLU A 81 -0.204 -20.059 -14.371 1.00 53.14 H new ATOM 0 HB3 GLU A 81 -0.709 -21.375 -13.330 1.00 53.14 H new ATOM 0 HG2 GLU A 81 -2.286 -20.145 -15.612 1.00 0.23 H new ATOM 0 HG3 GLU A 81 -1.568 -21.743 -15.567 1.00 0.23 H new ATOM 1263 N THR A 82 0.203 -18.202 -12.084 1.00 14.43 N ATOM 1264 CA THR A 82 1.221 -17.792 -11.125 1.00 62.12 C ATOM 1265 C THR A 82 0.796 -16.535 -10.375 1.00 24.02 C ATOM 1266 O THR A 82 1.097 -16.374 -9.192 1.00 11.12 O ATOM 1267 CB THR A 82 2.572 -17.531 -11.818 1.00 11.10 C ATOM 1268 OG1 THR A 82 2.857 -18.582 -12.748 1.00 21.25 O ATOM 1269 CG2 THR A 82 3.694 -17.433 -10.796 1.00 3.42 C ATOM 0 H THR A 82 0.218 -17.684 -12.962 1.00 14.43 H new ATOM 0 HA THR A 82 1.337 -18.612 -10.416 1.00 62.12 H new ATOM 0 HB THR A 82 2.504 -16.583 -12.352 1.00 11.10 H new ATOM 0 HG1 THR A 82 3.810 -18.807 -12.705 1.00 21.25 H new ATOM 0 HG21 THR A 82 4.638 -17.249 -11.309 1.00 3.42 H new ATOM 0 HG22 THR A 82 3.489 -16.613 -10.108 1.00 3.42 H new ATOM 0 HG23 THR A 82 3.761 -18.367 -10.238 1.00 3.42 H new ATOM 1277 N LYS A 83 0.095 -15.646 -11.069 1.00 52.34 N ATOM 1278 CA LYS A 83 -0.374 -14.403 -10.469 1.00 0.42 C ATOM 1279 C LYS A 83 -1.125 -14.675 -9.169 1.00 63.43 C ATOM 1280 O LYS A 83 -1.035 -13.901 -8.217 1.00 35.10 O ATOM 1281 CB LYS A 83 -1.281 -13.650 -11.446 1.00 24.34 C ATOM 1282 CG LYS A 83 -1.617 -12.238 -10.999 1.00 24.00 C ATOM 1283 CD LYS A 83 -0.563 -11.243 -11.456 1.00 20.11 C ATOM 1284 CE LYS A 83 -0.420 -10.092 -10.472 1.00 42.22 C ATOM 1285 NZ LYS A 83 -1.696 -9.342 -10.307 1.00 5.23 N ATOM 0 H LYS A 83 -0.161 -15.763 -12.049 1.00 52.34 H new ATOM 0 HA LYS A 83 0.497 -13.788 -10.243 1.00 0.42 H new ATOM 0 HB2 LYS A 83 -0.795 -13.608 -12.421 1.00 24.34 H new ATOM 0 HB3 LYS A 83 -2.207 -14.211 -11.575 1.00 24.34 H new ATOM 0 HG2 LYS A 83 -2.589 -11.950 -11.400 1.00 24.00 H new ATOM 0 HG3 LYS A 83 -1.699 -12.209 -9.912 1.00 24.00 H new ATOM 0 HD2 LYS A 83 0.395 -11.751 -11.565 1.00 20.11 H new ATOM 0 HD3 LYS A 83 -0.831 -10.853 -12.438 1.00 20.11 H new ATOM 0 HE2 LYS A 83 -0.098 -10.479 -9.505 1.00 42.22 H new ATOM 0 HE3 LYS A 83 0.359 -9.412 -10.819 1.00 42.22 H new ATOM 0 HZ1 LYS A 83 -1.526 -8.489 -9.737 1.00 5.23 H new ATOM 0 HZ2 LYS A 83 -2.061 -9.067 -11.241 1.00 5.23 H new ATOM 0 HZ3 LYS A 83 -2.394 -9.945 -9.827 1.00 5.23 H new ATOM 1299 N GLN A 84 -1.862 -15.781 -9.138 1.00 11.30 N ATOM 1300 CA GLN A 84 -2.627 -16.155 -7.954 1.00 50.23 C ATOM 1301 C GLN A 84 -1.710 -16.342 -6.750 1.00 50.41 C ATOM 1302 O GLN A 84 -1.997 -15.851 -5.659 1.00 3.24 O ATOM 1303 CB GLN A 84 -3.414 -17.440 -8.215 1.00 72.22 C ATOM 1304 CG GLN A 84 -2.553 -18.591 -8.709 1.00 30.41 C ATOM 1305 CD GLN A 84 -3.374 -19.792 -9.138 1.00 5.12 C ATOM 1306 OE1 GLN A 84 -3.846 -19.773 -10.378 1.00 55.15 O flip ATOM 1307 NE2 GLN A 84 -3.580 -20.726 -8.362 1.00 74.45 N flip ATOM 0 H GLN A 84 -1.945 -16.433 -9.918 1.00 11.30 H new ATOM 0 HA GLN A 84 -3.325 -15.348 -7.733 1.00 50.23 H new ATOM 0 HB2 GLN A 84 -3.916 -17.741 -7.296 1.00 72.22 H new ATOM 0 HB3 GLN A 84 -4.192 -17.237 -8.951 1.00 72.22 H new ATOM 0 HG2 GLN A 84 -1.946 -18.252 -9.549 1.00 30.41 H new ATOM 0 HG3 GLN A 84 -1.864 -18.890 -7.919 1.00 30.41 H new ATOM 0 HE21 GLN A 84 -3.197 -20.698 -7.417 1.00 74.45 H new ATOM 0 HE22 GLN A 84 -4.133 -21.528 -8.664 1.00 74.45 H new ATOM 1316 N GLN A 85 -0.607 -17.054 -6.957 1.00 74.31 N ATOM 1317 CA GLN A 85 0.351 -17.306 -5.887 1.00 73.53 C ATOM 1318 C GLN A 85 0.840 -15.998 -5.275 1.00 61.03 C ATOM 1319 O GLN A 85 0.806 -15.820 -4.057 1.00 75.33 O ATOM 1320 CB GLN A 85 1.539 -18.111 -6.417 1.00 73.21 C ATOM 1321 CG GLN A 85 1.134 -19.361 -7.181 1.00 62.55 C ATOM 1322 CD GLN A 85 0.269 -20.295 -6.358 1.00 10.33 C ATOM 1323 OE1 GLN A 85 -0.759 -20.855 -6.983 1.00 12.51 O flip ATOM 1324 NE2 GLN A 85 0.522 -20.510 -5.172 1.00 75.43 N flip ATOM 0 H GLN A 85 -0.355 -17.466 -7.855 1.00 74.31 H new ATOM 0 HA GLN A 85 -0.152 -17.883 -5.111 1.00 73.53 H new ATOM 0 HB2 GLN A 85 2.137 -17.474 -7.069 1.00 73.21 H new ATOM 0 HB3 GLN A 85 2.176 -18.397 -5.580 1.00 73.21 H new ATOM 0 HG2 GLN A 85 0.594 -19.072 -8.082 1.00 62.55 H new ATOM 0 HG3 GLN A 85 2.030 -19.891 -7.503 1.00 62.55 H new ATOM 0 HE21 GLN A 85 1.323 -20.058 -4.731 1.00 75.43 H new ATOM 0 HE22 GLN A 85 -0.070 -21.140 -4.630 1.00 75.43 H new ATOM 1333 N ILE A 86 1.296 -15.086 -6.127 1.00 55.05 N ATOM 1334 CA ILE A 86 1.791 -13.794 -5.670 1.00 1.21 C ATOM 1335 C ILE A 86 0.676 -12.971 -5.035 1.00 14.32 C ATOM 1336 O ILE A 86 0.821 -12.460 -3.923 1.00 64.33 O ATOM 1337 CB ILE A 86 2.414 -12.988 -6.826 1.00 31.54 C ATOM 1338 CG1 ILE A 86 3.513 -13.804 -7.510 1.00 2.51 C ATOM 1339 CG2 ILE A 86 2.968 -11.668 -6.312 1.00 52.34 C ATOM 1340 CD1 ILE A 86 3.147 -14.260 -8.905 1.00 22.44 C ATOM 0 H ILE A 86 1.333 -15.218 -7.138 1.00 55.05 H new ATOM 0 HA ILE A 86 2.559 -13.997 -4.924 1.00 1.21 H new ATOM 0 HB ILE A 86 1.638 -12.772 -7.560 1.00 31.54 H new ATOM 0 HG12 ILE A 86 4.422 -13.205 -7.559 1.00 2.51 H new ATOM 0 HG13 ILE A 86 3.740 -14.677 -6.899 1.00 2.51 H new ATOM 0 HG21 ILE A 86 3.405 -11.110 -7.140 1.00 52.34 H new ATOM 0 HG22 ILE A 86 2.163 -11.085 -5.866 1.00 52.34 H new ATOM 0 HG23 ILE A 86 3.734 -11.863 -5.561 1.00 52.34 H new ATOM 0 HD11 ILE A 86 3.972 -14.832 -9.329 1.00 22.44 H new ATOM 0 HD12 ILE A 86 2.256 -14.886 -8.861 1.00 22.44 H new ATOM 0 HD13 ILE A 86 2.949 -13.391 -9.532 1.00 22.44 H new ATOM 1352 N LEU A 87 -0.439 -12.847 -5.746 1.00 52.25 N ATOM 1353 CA LEU A 87 -1.582 -12.087 -5.252 1.00 31.01 C ATOM 1354 C LEU A 87 -1.982 -12.552 -3.856 1.00 33.44 C ATOM 1355 O LEU A 87 -2.293 -11.740 -2.983 1.00 73.35 O ATOM 1356 CB LEU A 87 -2.767 -12.230 -6.209 1.00 11.13 C ATOM 1357 CG LEU A 87 -4.078 -11.589 -5.753 1.00 55.34 C ATOM 1358 CD1 LEU A 87 -4.107 -10.113 -6.122 1.00 34.55 C ATOM 1359 CD2 LEU A 87 -5.268 -12.316 -6.364 1.00 2.03 C ATOM 0 H LEU A 87 -0.576 -13.263 -6.667 1.00 52.25 H new ATOM 0 HA LEU A 87 -1.293 -11.038 -5.196 1.00 31.01 H new ATOM 0 HB2 LEU A 87 -2.488 -11.795 -7.169 1.00 11.13 H new ATOM 0 HB3 LEU A 87 -2.945 -13.292 -6.379 1.00 11.13 H new ATOM 0 HG LEU A 87 -4.143 -11.673 -4.668 1.00 55.34 H new ATOM 0 HD11 LEU A 87 -5.047 -9.673 -5.790 1.00 34.55 H new ATOM 0 HD12 LEU A 87 -3.276 -9.601 -5.638 1.00 34.55 H new ATOM 0 HD13 LEU A 87 -4.019 -10.006 -7.203 1.00 34.55 H new ATOM 0 HD21 LEU A 87 -6.193 -11.846 -6.029 1.00 2.03 H new ATOM 0 HD22 LEU A 87 -5.208 -12.263 -7.451 1.00 2.03 H new ATOM 0 HD23 LEU A 87 -5.257 -13.360 -6.050 1.00 2.03 H new ATOM 1371 N THR A 88 -1.971 -13.866 -3.649 1.00 5.31 N ATOM 1372 CA THR A 88 -2.331 -14.440 -2.359 1.00 0.44 C ATOM 1373 C THR A 88 -1.494 -13.837 -1.236 1.00 31.21 C ATOM 1374 O THR A 88 -1.920 -13.804 -0.082 1.00 21.51 O ATOM 1375 CB THR A 88 -2.150 -15.969 -2.354 1.00 75.31 C ATOM 1376 OG1 THR A 88 -2.981 -16.564 -3.358 1.00 1.50 O ATOM 1377 CG2 THR A 88 -2.498 -16.551 -0.992 1.00 64.10 C ATOM 0 H THR A 88 -1.716 -14.552 -4.359 1.00 5.31 H new ATOM 0 HA THR A 88 -3.382 -14.206 -2.191 1.00 0.44 H new ATOM 0 HB THR A 88 -1.105 -16.189 -2.570 1.00 75.31 H new ATOM 0 HG1 THR A 88 -2.472 -16.657 -4.191 1.00 1.50 H new ATOM 0 HG21 THR A 88 -2.362 -17.632 -1.013 1.00 64.10 H new ATOM 0 HG22 THR A 88 -1.845 -16.118 -0.234 1.00 64.10 H new ATOM 0 HG23 THR A 88 -3.536 -16.320 -0.752 1.00 64.10 H new ATOM 1385 N GLU A 89 -0.302 -13.361 -1.582 1.00 73.03 N ATOM 1386 CA GLU A 89 0.594 -12.760 -0.602 1.00 12.34 C ATOM 1387 C GLU A 89 0.513 -11.237 -0.652 1.00 54.34 C ATOM 1388 O GLU A 89 0.559 -10.566 0.380 1.00 64.31 O ATOM 1389 CB GLU A 89 2.034 -13.213 -0.849 1.00 22.05 C ATOM 1390 CG GLU A 89 2.173 -14.711 -1.060 1.00 71.22 C ATOM 1391 CD GLU A 89 3.575 -15.213 -0.775 1.00 30.43 C ATOM 1392 OE1 GLU A 89 4.487 -14.915 -1.574 1.00 11.24 O ATOM 1393 OE2 GLU A 89 3.760 -15.905 0.249 1.00 73.23 O ATOM 0 H GLU A 89 0.065 -13.380 -2.533 1.00 73.03 H new ATOM 0 HA GLU A 89 0.281 -13.091 0.388 1.00 12.34 H new ATOM 0 HB2 GLU A 89 2.424 -12.694 -1.724 1.00 22.05 H new ATOM 0 HB3 GLU A 89 2.650 -12.915 -0.001 1.00 22.05 H new ATOM 0 HG2 GLU A 89 1.466 -15.232 -0.414 1.00 71.22 H new ATOM 0 HG3 GLU A 89 1.906 -14.956 -2.088 1.00 71.22 H new ATOM 1400 N LEU A 90 0.391 -10.697 -1.860 1.00 2.30 N ATOM 1401 CA LEU A 90 0.304 -9.253 -2.047 1.00 51.51 C ATOM 1402 C LEU A 90 -0.768 -8.650 -1.144 1.00 63.30 C ATOM 1403 O LEU A 90 -0.458 -7.956 -0.176 1.00 71.22 O ATOM 1404 CB LEU A 90 -0.003 -8.926 -3.510 1.00 2.54 C ATOM 1405 CG LEU A 90 1.158 -8.359 -4.328 1.00 72.23 C ATOM 1406 CD1 LEU A 90 2.380 -9.257 -4.214 1.00 72.32 C ATOM 1407 CD2 LEU A 90 0.751 -8.192 -5.785 1.00 40.51 C ATOM 0 H LEU A 90 0.350 -11.237 -2.724 1.00 2.30 H new ATOM 0 HA LEU A 90 1.267 -8.818 -1.778 1.00 51.51 H new ATOM 0 HB2 LEU A 90 -0.356 -9.834 -3.998 1.00 2.54 H new ATOM 0 HB3 LEU A 90 -0.824 -8.210 -3.537 1.00 2.54 H new ATOM 0 HG LEU A 90 1.415 -7.378 -3.928 1.00 72.23 H new ATOM 0 HD11 LEU A 90 3.196 -8.838 -4.803 1.00 72.32 H new ATOM 0 HD12 LEU A 90 2.684 -9.326 -3.170 1.00 72.32 H new ATOM 0 HD13 LEU A 90 2.137 -10.252 -4.588 1.00 72.32 H new ATOM 0 HD21 LEU A 90 1.589 -7.787 -6.353 1.00 40.51 H new ATOM 0 HD22 LEU A 90 0.467 -9.161 -6.197 1.00 40.51 H new ATOM 0 HD23 LEU A 90 -0.095 -7.508 -5.850 1.00 40.51 H new ATOM 1419 N GLN A 91 -2.028 -8.923 -1.467 1.00 1.13 N ATOM 1420 CA GLN A 91 -3.145 -8.409 -0.683 1.00 40.32 C ATOM 1421 C GLN A 91 -3.328 -9.216 0.598 1.00 52.40 C ATOM 1422 O GLN A 91 -3.664 -8.667 1.648 1.00 53.34 O ATOM 1423 CB GLN A 91 -4.432 -8.441 -1.509 1.00 32.11 C ATOM 1424 CG GLN A 91 -4.709 -9.791 -2.152 1.00 1.42 C ATOM 1425 CD GLN A 91 -5.958 -10.453 -1.604 1.00 41.34 C ATOM 1426 OE1 GLN A 91 -6.904 -9.778 -1.196 1.00 22.41 O ATOM 1427 NE2 GLN A 91 -5.968 -11.780 -1.593 1.00 71.54 N ATOM 0 H GLN A 91 -2.301 -9.496 -2.265 1.00 1.13 H new ATOM 0 HA GLN A 91 -2.922 -7.377 -0.411 1.00 40.32 H new ATOM 0 HB2 GLN A 91 -5.272 -8.174 -0.868 1.00 32.11 H new ATOM 0 HB3 GLN A 91 -4.372 -7.682 -2.289 1.00 32.11 H new ATOM 0 HG2 GLN A 91 -4.814 -9.661 -3.229 1.00 1.42 H new ATOM 0 HG3 GLN A 91 -3.854 -10.448 -1.992 1.00 1.42 H new ATOM 0 HE21 GLN A 91 -5.162 -12.299 -1.941 1.00 71.54 H new ATOM 0 HE22 GLN A 91 -6.782 -12.281 -1.237 1.00 71.54 H new ATOM 1436 N LYS A 92 -3.106 -10.522 0.505 1.00 23.33 N ATOM 1437 CA LYS A 92 -3.245 -11.406 1.656 1.00 30.24 C ATOM 1438 C LYS A 92 -1.899 -12.008 2.046 1.00 22.32 C ATOM 1439 O LYS A 92 -1.493 -11.946 3.207 1.00 20.50 O ATOM 1440 CB LYS A 92 -4.246 -12.523 1.350 1.00 45.12 C ATOM 1441 CG LYS A 92 -4.261 -13.628 2.391 1.00 33.33 C ATOM 1442 CD LYS A 92 -5.416 -14.590 2.166 1.00 23.30 C ATOM 1443 CE LYS A 92 -4.981 -15.803 1.357 1.00 51.31 C ATOM 1444 NZ LYS A 92 -5.734 -17.027 1.745 1.00 72.42 N ATOM 0 H LYS A 92 -2.829 -10.992 -0.356 1.00 23.33 H new ATOM 0 HA LYS A 92 -3.615 -10.815 2.494 1.00 30.24 H new ATOM 0 HB2 LYS A 92 -5.245 -12.093 1.274 1.00 45.12 H new ATOM 0 HB3 LYS A 92 -4.010 -12.955 0.377 1.00 45.12 H new ATOM 0 HG2 LYS A 92 -3.319 -14.175 2.356 1.00 33.33 H new ATOM 0 HG3 LYS A 92 -4.339 -13.191 3.386 1.00 33.33 H new ATOM 0 HD2 LYS A 92 -5.812 -14.916 3.128 1.00 23.30 H new ATOM 0 HD3 LYS A 92 -6.224 -14.075 1.646 1.00 23.30 H new ATOM 0 HE2 LYS A 92 -5.132 -15.605 0.296 1.00 51.31 H new ATOM 0 HE3 LYS A 92 -3.914 -15.972 1.501 1.00 51.31 H new ATOM 0 HZ1 LYS A 92 -5.409 -17.831 1.171 1.00 72.42 H new ATOM 0 HZ2 LYS A 92 -5.570 -17.231 2.752 1.00 72.42 H new ATOM 0 HZ3 LYS A 92 -6.750 -16.875 1.584 1.00 72.42 H new TER 1458 LYS A 92