USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0159 (180deg=-0.202) USER MOD Single : A 5 TYR OH : rot 30:sc= 0.0229 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00314 USER MOD Single : A 16 GLN : amide:sc= -1.43 K(o=-1.4,f=-3!) USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -1.54 (180deg=-3.04!) USER MOD Single : A 18 ASN : amide:sc= -0.0858 K(o=-0.086,f=-1.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 9:sc= 0.304 USER MOD Single : A 37 SER OG : rot -160:sc= -0.722 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 177:sc= -1.1 (180deg=-1.28) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.241 X(o=0.24,f=-0.0065) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.306 F(o=-0.81,f=-0.31) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -150:sc= -0.464 USER MOD Single : A 80 MET CE :methyl 158:sc= -1.97! (180deg=-3.37!) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.48 (180deg=-1.2) USER MOD Single : A 84 CYS SG : rot -33:sc= 0.0235 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -149:sc= 0.703 (180deg=0.232) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.880 -0.254 0.185 1.00 22.35 N ATOM 2 CA MET A 1 2.863 0.530 -0.553 1.00 1.21 C ATOM 3 C MET A 1 4.164 -0.248 -0.721 1.00 42.23 C ATOM 4 O MET A 1 5.252 0.328 -0.688 1.00 13.34 O ATOM 5 CB MET A 1 3.136 1.853 0.166 1.00 75.10 C ATOM 6 CG MET A 1 2.069 2.908 -0.079 1.00 4.52 C ATOM 7 SD MET A 1 2.449 3.964 -1.490 1.00 53.42 S ATOM 8 CE MET A 1 2.580 5.562 -0.692 1.00 5.32 C ATOM 0 H1 MET A 1 1.095 0.361 0.478 1.00 22.35 H new ATOM 0 H2 MET A 1 1.515 -1.015 -0.423 1.00 22.35 H new ATOM 0 H3 MET A 1 2.328 -0.669 1.027 1.00 22.35 H new ATOM 0 HA MET A 1 2.455 0.739 -1.542 1.00 1.21 H new ATOM 0 HB2 MET A 1 3.212 1.666 1.237 1.00 75.10 H new ATOM 0 HB3 MET A 1 4.101 2.242 -0.159 1.00 75.10 H new ATOM 0 HG2 MET A 1 1.110 2.418 -0.245 1.00 4.52 H new ATOM 0 HG3 MET A 1 1.962 3.525 0.813 1.00 4.52 H new ATOM 0 HE1 MET A 1 2.813 6.323 -1.437 1.00 5.32 H new ATOM 0 HE2 MET A 1 1.634 5.806 -0.208 1.00 5.32 H new ATOM 0 HE3 MET A 1 3.373 5.532 0.055 1.00 5.32 H new ATOM 18 N ASP A 2 4.045 -1.558 -0.902 1.00 63.50 N ATOM 19 CA ASP A 2 5.212 -2.415 -1.076 1.00 64.34 C ATOM 20 C ASP A 2 6.095 -1.907 -2.212 1.00 51.12 C ATOM 21 O ASP A 2 5.776 -2.087 -3.388 1.00 22.44 O ATOM 22 CB ASP A 2 4.778 -3.855 -1.357 1.00 13.42 C ATOM 23 CG ASP A 2 3.682 -4.322 -0.419 1.00 52.50 C ATOM 24 OD1 ASP A 2 3.611 -3.803 0.715 1.00 62.42 O ATOM 25 OD2 ASP A 2 2.895 -5.206 -0.819 1.00 3.33 O ATOM 0 H ASP A 2 3.152 -2.050 -0.932 1.00 63.50 H new ATOM 0 HA ASP A 2 5.789 -2.391 -0.152 1.00 64.34 H new ATOM 0 HB2 ASP A 2 4.428 -3.932 -2.387 1.00 13.42 H new ATOM 0 HB3 ASP A 2 5.639 -4.516 -1.263 1.00 13.42 H new ATOM 30 N ASP A 3 7.204 -1.270 -1.853 1.00 60.21 N ATOM 31 CA ASP A 3 8.133 -0.735 -2.842 1.00 31.21 C ATOM 32 C ASP A 3 8.735 -1.856 -3.684 1.00 53.32 C ATOM 33 O ASP A 3 9.159 -1.633 -4.819 1.00 33.33 O ATOM 34 CB ASP A 3 9.246 0.055 -2.152 1.00 51.32 C ATOM 35 CG ASP A 3 10.162 -0.831 -1.331 1.00 13.43 C ATOM 36 OD1 ASP A 3 11.155 -1.340 -1.891 1.00 72.04 O ATOM 37 OD2 ASP A 3 9.886 -1.014 -0.127 1.00 12.12 O ATOM 0 H ASP A 3 7.482 -1.111 -0.884 1.00 60.21 H new ATOM 0 HA ASP A 3 7.579 -0.067 -3.501 1.00 31.21 H new ATOM 0 HB2 ASP A 3 9.833 0.582 -2.904 1.00 51.32 H new ATOM 0 HB3 ASP A 3 8.803 0.812 -1.505 1.00 51.32 H new ATOM 42 N ILE A 4 8.769 -3.059 -3.121 1.00 44.22 N ATOM 43 CA ILE A 4 9.319 -4.213 -3.821 1.00 23.33 C ATOM 44 C ILE A 4 8.548 -4.497 -5.105 1.00 14.01 C ATOM 45 O ILE A 4 9.115 -4.967 -6.092 1.00 12.15 O ATOM 46 CB ILE A 4 9.298 -5.472 -2.933 1.00 54.04 C ATOM 47 CG1 ILE A 4 9.737 -6.697 -3.738 1.00 25.15 C ATOM 48 CG2 ILE A 4 7.909 -5.685 -2.350 1.00 74.14 C ATOM 49 CD1 ILE A 4 10.705 -7.592 -2.995 1.00 10.22 C ATOM 0 H ILE A 4 8.422 -3.260 -2.183 1.00 44.22 H new ATOM 0 HA ILE A 4 10.352 -3.969 -4.068 1.00 23.33 H new ATOM 0 HB ILE A 4 9.999 -5.331 -2.110 1.00 54.04 H new ATOM 0 HG12 ILE A 4 8.856 -7.277 -4.012 1.00 25.15 H new ATOM 0 HG13 ILE A 4 10.201 -6.365 -4.666 1.00 25.15 H new ATOM 0 HG21 ILE A 4 7.910 -6.578 -1.725 1.00 74.14 H new ATOM 0 HG22 ILE A 4 7.631 -4.820 -1.747 1.00 74.14 H new ATOM 0 HG23 ILE A 4 7.190 -5.809 -3.160 1.00 74.14 H new ATOM 0 HD11 ILE A 4 10.973 -8.440 -3.625 1.00 10.22 H new ATOM 0 HD12 ILE A 4 11.603 -7.028 -2.744 1.00 10.22 H new ATOM 0 HD13 ILE A 4 10.237 -7.954 -2.080 1.00 10.22 H new ATOM 61 N TYR A 5 7.252 -4.207 -5.086 1.00 15.21 N ATOM 62 CA TYR A 5 6.401 -4.431 -6.249 1.00 11.13 C ATOM 63 C TYR A 5 6.461 -3.243 -7.205 1.00 30.44 C ATOM 64 O TYR A 5 6.385 -3.406 -8.423 1.00 23.44 O ATOM 65 CB TYR A 5 4.956 -4.675 -5.810 1.00 51.45 C ATOM 66 CG TYR A 5 4.684 -6.100 -5.387 1.00 32.33 C ATOM 67 CD1 TYR A 5 5.070 -6.559 -4.133 1.00 72.14 C ATOM 68 CD2 TYR A 5 4.040 -6.988 -6.240 1.00 32.24 C ATOM 69 CE1 TYR A 5 4.824 -7.861 -3.743 1.00 31.05 C ATOM 70 CE2 TYR A 5 3.788 -8.292 -5.857 1.00 4.44 C ATOM 71 CZ TYR A 5 4.183 -8.723 -4.607 1.00 72.34 C ATOM 72 OH TYR A 5 3.935 -10.021 -4.221 1.00 52.42 O ATOM 0 H TYR A 5 6.767 -3.816 -4.278 1.00 15.21 H new ATOM 0 HA TYR A 5 6.769 -5.314 -6.772 1.00 11.13 H new ATOM 0 HB2 TYR A 5 4.719 -4.008 -4.981 1.00 51.45 H new ATOM 0 HB3 TYR A 5 4.287 -4.414 -6.630 1.00 51.45 H new ATOM 0 HD1 TYR A 5 5.571 -5.886 -3.452 1.00 72.14 H new ATOM 0 HD2 TYR A 5 3.731 -6.653 -7.219 1.00 32.24 H new ATOM 0 HE1 TYR A 5 5.132 -8.202 -2.766 1.00 31.05 H new ATOM 0 HE2 TYR A 5 3.285 -8.969 -6.532 1.00 4.44 H new ATOM 0 HH TYR A 5 3.815 -10.056 -3.249 1.00 52.42 H new ATOM 82 N LYS A 6 6.598 -2.047 -6.643 1.00 42.12 N ATOM 83 CA LYS A 6 6.671 -0.830 -7.443 1.00 12.22 C ATOM 84 C LYS A 6 7.884 -0.858 -8.367 1.00 54.24 C ATOM 85 O LYS A 6 7.848 -0.313 -9.470 1.00 52.31 O ATOM 86 CB LYS A 6 6.738 0.399 -6.533 1.00 52.24 C ATOM 87 CG LYS A 6 5.662 0.422 -5.461 1.00 24.40 C ATOM 88 CD LYS A 6 4.345 -0.128 -5.981 1.00 32.31 C ATOM 89 CE LYS A 6 3.158 0.506 -5.273 1.00 13.14 C ATOM 90 NZ LYS A 6 2.661 1.711 -5.993 1.00 3.32 N ATOM 0 H LYS A 6 6.661 -1.894 -5.636 1.00 42.12 H new ATOM 0 HA LYS A 6 5.771 -0.773 -8.056 1.00 12.22 H new ATOM 0 HB2 LYS A 6 7.717 0.433 -6.054 1.00 52.24 H new ATOM 0 HB3 LYS A 6 6.650 1.298 -7.143 1.00 52.24 H new ATOM 0 HG2 LYS A 6 5.989 -0.165 -4.603 1.00 24.40 H new ATOM 0 HG3 LYS A 6 5.518 1.444 -5.111 1.00 24.40 H new ATOM 0 HD2 LYS A 6 4.271 0.055 -7.053 1.00 32.31 H new ATOM 0 HD3 LYS A 6 4.320 -1.209 -5.840 1.00 32.31 H new ATOM 0 HE2 LYS A 6 2.353 -0.224 -5.189 1.00 13.14 H new ATOM 0 HE3 LYS A 6 3.445 0.782 -4.258 1.00 13.14 H new ATOM 0 HZ1 LYS A 6 1.852 2.114 -5.478 1.00 3.32 H new ATOM 0 HZ2 LYS A 6 3.421 2.419 -6.051 1.00 3.32 H new ATOM 0 HZ3 LYS A 6 2.363 1.443 -6.953 1.00 3.32 H new ATOM 104 N ALA A 7 8.955 -1.498 -7.911 1.00 3.40 N ATOM 105 CA ALA A 7 10.177 -1.599 -8.699 1.00 24.50 C ATOM 106 C ALA A 7 9.958 -2.452 -9.944 1.00 62.11 C ATOM 107 O ALA A 7 10.563 -2.210 -10.988 1.00 51.21 O ATOM 108 CB ALA A 7 11.304 -2.176 -7.854 1.00 13.21 C ATOM 0 H ALA A 7 9.001 -1.954 -7.000 1.00 3.40 H new ATOM 0 HA ALA A 7 10.456 -0.596 -9.021 1.00 24.50 H new ATOM 0 HB1 ALA A 7 12.210 -2.246 -8.455 1.00 13.21 H new ATOM 0 HB2 ALA A 7 11.486 -1.527 -6.998 1.00 13.21 H new ATOM 0 HB3 ALA A 7 11.024 -3.169 -7.503 1.00 13.21 H new ATOM 114 N ALA A 8 9.090 -3.452 -9.826 1.00 2.50 N ATOM 115 CA ALA A 8 8.791 -4.339 -10.943 1.00 33.24 C ATOM 116 C ALA A 8 8.021 -3.606 -12.036 1.00 11.22 C ATOM 117 O ALA A 8 8.314 -3.755 -13.222 1.00 52.02 O ATOM 118 CB ALA A 8 8.003 -5.548 -10.460 1.00 14.35 C ATOM 0 H ALA A 8 8.582 -3.668 -8.968 1.00 2.50 H new ATOM 0 HA ALA A 8 9.736 -4.680 -11.367 1.00 33.24 H new ATOM 0 HB1 ALA A 8 7.786 -6.202 -11.305 1.00 14.35 H new ATOM 0 HB2 ALA A 8 8.590 -6.093 -9.720 1.00 14.35 H new ATOM 0 HB3 ALA A 8 7.068 -5.216 -10.009 1.00 14.35 H new ATOM 124 N VAL A 9 7.034 -2.813 -11.629 1.00 24.44 N ATOM 125 CA VAL A 9 6.222 -2.056 -12.574 1.00 23.33 C ATOM 126 C VAL A 9 7.001 -0.878 -13.146 1.00 42.54 C ATOM 127 O VAL A 9 6.741 -0.434 -14.264 1.00 51.12 O ATOM 128 CB VAL A 9 4.933 -1.533 -11.913 1.00 21.22 C ATOM 129 CG1 VAL A 9 3.977 -2.681 -11.625 1.00 1.42 C ATOM 130 CG2 VAL A 9 5.260 -0.768 -10.639 1.00 63.51 C ATOM 0 H VAL A 9 6.778 -2.679 -10.651 1.00 24.44 H new ATOM 0 HA VAL A 9 5.956 -2.738 -13.381 1.00 23.33 H new ATOM 0 HB VAL A 9 4.443 -0.848 -12.605 1.00 21.22 H new ATOM 0 HG11 VAL A 9 3.072 -2.292 -11.158 1.00 1.42 H new ATOM 0 HG12 VAL A 9 3.718 -3.181 -12.558 1.00 1.42 H new ATOM 0 HG13 VAL A 9 4.455 -3.393 -10.952 1.00 1.42 H new ATOM 0 HG21 VAL A 9 4.338 -0.406 -10.185 1.00 63.51 H new ATOM 0 HG22 VAL A 9 5.773 -1.428 -9.940 1.00 63.51 H new ATOM 0 HG23 VAL A 9 5.904 0.079 -10.878 1.00 63.51 H new ATOM 140 N GLU A 10 7.958 -0.375 -12.372 1.00 62.33 N ATOM 141 CA GLU A 10 8.775 0.753 -12.804 1.00 21.15 C ATOM 142 C GLU A 10 9.738 0.336 -13.912 1.00 32.55 C ATOM 143 O GLU A 10 10.119 1.147 -14.754 1.00 53.43 O ATOM 144 CB GLU A 10 9.559 1.325 -11.621 1.00 0.24 C ATOM 145 CG GLU A 10 8.825 2.432 -10.882 1.00 41.14 C ATOM 146 CD GLU A 10 9.741 3.570 -10.478 1.00 5.44 C ATOM 147 OE1 GLU A 10 10.490 3.406 -9.492 1.00 2.45 O ATOM 148 OE2 GLU A 10 9.710 4.625 -11.146 1.00 31.30 O ATOM 0 H GLU A 10 8.186 -0.731 -11.444 1.00 62.33 H new ATOM 0 HA GLU A 10 8.109 1.522 -13.196 1.00 21.15 H new ATOM 0 HB2 GLU A 10 9.784 0.520 -10.922 1.00 0.24 H new ATOM 0 HB3 GLU A 10 10.513 1.710 -11.981 1.00 0.24 H new ATOM 0 HG2 GLU A 10 8.027 2.820 -11.516 1.00 41.14 H new ATOM 0 HG3 GLU A 10 8.352 2.018 -9.992 1.00 41.14 H new ATOM 155 N GLN A 11 10.127 -0.935 -13.902 1.00 34.42 N ATOM 156 CA GLN A 11 11.046 -1.460 -14.905 1.00 34.22 C ATOM 157 C GLN A 11 10.286 -1.970 -16.125 1.00 62.40 C ATOM 158 O GLN A 11 10.860 -2.622 -16.999 1.00 31.12 O ATOM 159 CB GLN A 11 11.894 -2.585 -14.310 1.00 63.54 C ATOM 160 CG GLN A 11 11.075 -3.756 -13.791 1.00 42.00 C ATOM 161 CD GLN A 11 11.932 -4.953 -13.428 1.00 42.24 C ATOM 162 OE1 GLN A 11 12.214 -5.807 -14.270 1.00 2.44 O ATOM 163 NE2 GLN A 11 12.352 -5.021 -12.170 1.00 70.24 N ATOM 0 H GLN A 11 9.820 -1.620 -13.211 1.00 34.42 H new ATOM 0 HA GLN A 11 11.702 -0.649 -15.221 1.00 34.22 H new ATOM 0 HB2 GLN A 11 12.588 -2.946 -15.069 1.00 63.54 H new ATOM 0 HB3 GLN A 11 12.495 -2.183 -13.494 1.00 63.54 H new ATOM 0 HG2 GLN A 11 10.510 -3.439 -12.914 1.00 42.00 H new ATOM 0 HG3 GLN A 11 10.349 -4.050 -14.549 1.00 42.00 H new ATOM 0 HE21 GLN A 11 12.094 -4.291 -11.506 1.00 70.24 H new ATOM 0 HE22 GLN A 11 12.932 -5.803 -11.868 1.00 70.24 H new ATOM 172 N LEU A 12 8.993 -1.671 -16.179 1.00 1.43 N ATOM 173 CA LEU A 12 8.154 -2.099 -17.292 1.00 71.33 C ATOM 174 C LEU A 12 8.467 -1.296 -18.551 1.00 23.52 C ATOM 175 O LEU A 12 9.312 -0.401 -18.535 1.00 45.14 O ATOM 176 CB LEU A 12 6.675 -1.946 -16.931 1.00 25.31 C ATOM 177 CG LEU A 12 6.096 -3.017 -16.006 1.00 24.14 C ATOM 178 CD1 LEU A 12 4.675 -2.659 -15.599 1.00 25.25 C ATOM 179 CD2 LEU A 12 6.133 -4.381 -16.680 1.00 14.22 C ATOM 0 H LEU A 12 8.503 -1.133 -15.464 1.00 1.43 H new ATOM 0 HA LEU A 12 8.366 -3.149 -17.491 1.00 71.33 H new ATOM 0 HB2 LEU A 12 6.535 -0.973 -16.460 1.00 25.31 H new ATOM 0 HB3 LEU A 12 6.095 -1.939 -17.854 1.00 25.31 H new ATOM 0 HG LEU A 12 6.709 -3.063 -15.106 1.00 24.14 H new ATOM 0 HD11 LEU A 12 4.279 -3.433 -14.941 1.00 25.25 H new ATOM 0 HD12 LEU A 12 4.676 -1.703 -15.075 1.00 25.25 H new ATOM 0 HD13 LEU A 12 4.050 -2.585 -16.489 1.00 25.25 H new ATOM 0 HD21 LEU A 12 5.717 -5.131 -16.007 1.00 14.22 H new ATOM 0 HD22 LEU A 12 5.544 -4.350 -17.597 1.00 14.22 H new ATOM 0 HD23 LEU A 12 7.164 -4.641 -16.920 1.00 14.22 H new ATOM 191 N THR A 13 7.779 -1.621 -19.641 1.00 32.52 N ATOM 192 CA THR A 13 7.982 -0.931 -20.908 1.00 4.53 C ATOM 193 C THR A 13 6.874 0.084 -21.165 1.00 70.32 C ATOM 194 O THR A 13 5.758 -0.065 -20.669 1.00 53.33 O ATOM 195 CB THR A 13 8.039 -1.922 -22.085 1.00 44.24 C ATOM 196 OG1 THR A 13 8.345 -1.225 -23.298 1.00 44.41 O ATOM 197 CG2 THR A 13 6.717 -2.658 -22.237 1.00 51.05 C ATOM 0 H THR A 13 7.075 -2.359 -19.671 1.00 32.52 H new ATOM 0 HA THR A 13 8.937 -0.411 -20.835 1.00 4.53 H new ATOM 0 HB THR A 13 8.822 -2.652 -21.879 1.00 44.24 H new ATOM 0 HG1 THR A 13 8.381 -1.863 -24.041 1.00 44.41 H new ATOM 0 HG21 THR A 13 6.781 -3.352 -23.075 1.00 51.05 H new ATOM 0 HG22 THR A 13 6.501 -3.211 -21.323 1.00 51.05 H new ATOM 0 HG23 THR A 13 5.919 -1.939 -22.423 1.00 51.05 H new ATOM 205 N GLU A 14 7.190 1.114 -21.944 1.00 72.31 N ATOM 206 CA GLU A 14 6.219 2.153 -22.267 1.00 34.52 C ATOM 207 C GLU A 14 4.927 1.542 -22.804 1.00 45.14 C ATOM 208 O GLU A 14 3.839 2.072 -22.582 1.00 45.35 O ATOM 209 CB GLU A 14 6.802 3.126 -23.294 1.00 33.35 C ATOM 210 CG GLU A 14 8.174 3.659 -22.916 1.00 73.33 C ATOM 211 CD GLU A 14 8.617 4.808 -23.801 1.00 73.30 C ATOM 212 OE1 GLU A 14 8.382 4.737 -25.026 1.00 15.54 O ATOM 213 OE2 GLU A 14 9.198 5.776 -23.270 1.00 5.34 O ATOM 0 H GLU A 14 8.110 1.251 -22.363 1.00 72.31 H new ATOM 0 HA GLU A 14 5.990 2.698 -21.351 1.00 34.52 H new ATOM 0 HB2 GLU A 14 6.869 2.625 -24.260 1.00 33.35 H new ATOM 0 HB3 GLU A 14 6.117 3.965 -23.417 1.00 33.35 H new ATOM 0 HG2 GLU A 14 8.158 3.990 -21.878 1.00 73.33 H new ATOM 0 HG3 GLU A 14 8.904 2.852 -22.982 1.00 73.33 H new ATOM 220 N GLU A 15 5.058 0.425 -23.513 1.00 20.33 N ATOM 221 CA GLU A 15 3.902 -0.257 -24.083 1.00 11.21 C ATOM 222 C GLU A 15 2.987 -0.788 -22.984 1.00 34.14 C ATOM 223 O GLU A 15 1.763 -0.729 -23.099 1.00 72.44 O ATOM 224 CB GLU A 15 4.354 -1.407 -24.985 1.00 51.14 C ATOM 225 CG GLU A 15 5.498 -1.038 -25.914 1.00 44.03 C ATOM 226 CD GLU A 15 5.752 -2.092 -26.975 1.00 14.31 C ATOM 227 OE1 GLU A 15 5.221 -3.213 -26.836 1.00 62.53 O ATOM 228 OE2 GLU A 15 6.481 -1.794 -27.944 1.00 53.52 O ATOM 0 H GLU A 15 5.952 -0.026 -23.706 1.00 20.33 H new ATOM 0 HA GLU A 15 3.344 0.465 -24.679 1.00 11.21 H new ATOM 0 HB2 GLU A 15 4.660 -2.248 -24.362 1.00 51.14 H new ATOM 0 HB3 GLU A 15 3.507 -1.744 -25.582 1.00 51.14 H new ATOM 0 HG2 GLU A 15 5.276 -0.087 -26.398 1.00 44.03 H new ATOM 0 HG3 GLU A 15 6.405 -0.893 -25.327 1.00 44.03 H new ATOM 235 N GLN A 16 3.590 -1.306 -21.919 1.00 33.34 N ATOM 236 CA GLN A 16 2.829 -1.849 -20.799 1.00 61.02 C ATOM 237 C GLN A 16 1.981 -0.766 -20.141 1.00 52.33 C ATOM 238 O GLN A 16 0.763 -0.903 -20.022 1.00 1.42 O ATOM 239 CB GLN A 16 3.772 -2.471 -19.768 1.00 64.22 C ATOM 240 CG GLN A 16 4.224 -3.877 -20.128 1.00 25.33 C ATOM 241 CD GLN A 16 3.259 -4.942 -19.645 1.00 41.03 C ATOM 242 OE1 GLN A 16 3.481 -5.577 -18.614 1.00 5.42 O ATOM 243 NE2 GLN A 16 2.179 -5.143 -20.391 1.00 33.43 N ATOM 0 H GLN A 16 4.602 -1.361 -21.808 1.00 33.34 H new ATOM 0 HA GLN A 16 2.164 -2.621 -21.185 1.00 61.02 H new ATOM 0 HB2 GLN A 16 4.649 -1.833 -19.659 1.00 64.22 H new ATOM 0 HB3 GLN A 16 3.273 -2.496 -18.799 1.00 64.22 H new ATOM 0 HG2 GLN A 16 4.332 -3.954 -21.210 1.00 25.33 H new ATOM 0 HG3 GLN A 16 5.208 -4.060 -19.695 1.00 25.33 H new ATOM 0 HE21 GLN A 16 2.035 -4.594 -21.238 1.00 33.43 H new ATOM 0 HE22 GLN A 16 1.493 -5.847 -20.117 1.00 33.43 H new ATOM 252 N LYS A 17 2.632 0.311 -19.715 1.00 51.32 N ATOM 253 CA LYS A 17 1.938 1.420 -19.070 1.00 25.31 C ATOM 254 C LYS A 17 0.876 2.008 -19.993 1.00 35.45 C ATOM 255 O LYS A 17 -0.210 2.377 -19.548 1.00 33.15 O ATOM 256 CB LYS A 17 2.937 2.507 -18.666 1.00 52.24 C ATOM 257 CG LYS A 17 3.113 2.644 -17.164 1.00 62.30 C ATOM 258 CD LYS A 17 3.708 1.385 -16.556 1.00 33.43 C ATOM 259 CE LYS A 17 5.221 1.356 -16.701 1.00 44.24 C ATOM 260 NZ LYS A 17 5.641 0.816 -18.024 1.00 63.11 N ATOM 0 H LYS A 17 3.640 0.440 -19.805 1.00 51.32 H new ATOM 0 HA LYS A 17 1.445 1.037 -18.176 1.00 25.31 H new ATOM 0 HB2 LYS A 17 3.904 2.286 -19.118 1.00 52.24 H new ATOM 0 HB3 LYS A 17 2.606 3.462 -19.073 1.00 52.24 H new ATOM 0 HG2 LYS A 17 3.760 3.494 -16.948 1.00 62.30 H new ATOM 0 HG3 LYS A 17 2.148 2.852 -16.701 1.00 62.30 H new ATOM 0 HD2 LYS A 17 3.442 1.329 -15.501 1.00 33.43 H new ATOM 0 HD3 LYS A 17 3.278 0.508 -17.040 1.00 33.43 H new ATOM 0 HE2 LYS A 17 5.617 2.364 -16.578 1.00 44.24 H new ATOM 0 HE3 LYS A 17 5.650 0.746 -15.907 1.00 44.24 H new ATOM 0 HZ1 LYS A 17 6.606 0.434 -17.953 1.00 63.11 H new ATOM 0 HZ2 LYS A 17 4.989 0.059 -18.313 1.00 63.11 H new ATOM 0 HZ3 LYS A 17 5.622 1.578 -18.732 1.00 63.11 H new ATOM 274 N ASN A 18 1.196 2.090 -21.280 1.00 33.21 N ATOM 275 CA ASN A 18 0.267 2.632 -22.265 1.00 62.02 C ATOM 276 C ASN A 18 -0.950 1.725 -22.422 1.00 42.44 C ATOM 277 O ASN A 18 -2.074 2.201 -22.575 1.00 52.35 O ATOM 278 CB ASN A 18 0.967 2.804 -23.615 1.00 54.11 C ATOM 279 CG ASN A 18 1.696 4.129 -23.724 1.00 11.34 C ATOM 280 OD1 ASN A 18 1.254 5.140 -23.178 1.00 14.41 O ATOM 281 ND2 ASN A 18 2.820 4.130 -24.431 1.00 73.21 N ATOM 0 H ASN A 18 2.091 1.788 -21.665 1.00 33.21 H new ATOM 0 HA ASN A 18 -0.072 3.606 -21.912 1.00 62.02 H new ATOM 0 HB2 ASN A 18 1.676 1.989 -23.760 1.00 54.11 H new ATOM 0 HB3 ASN A 18 0.230 2.731 -24.415 1.00 54.11 H new ATOM 0 HD21 ASN A 18 3.354 4.992 -24.539 1.00 73.21 H new ATOM 0 HD22 ASN A 18 3.149 3.268 -24.866 1.00 73.21 H new ATOM 288 N GLU A 19 -0.716 0.417 -22.383 1.00 2.44 N ATOM 289 CA GLU A 19 -1.793 -0.555 -22.521 1.00 33.32 C ATOM 290 C GLU A 19 -2.700 -0.541 -21.293 1.00 62.13 C ATOM 291 O GLU A 19 -3.924 -0.603 -21.411 1.00 2.31 O ATOM 292 CB GLU A 19 -1.220 -1.959 -22.729 1.00 10.42 C ATOM 293 CG GLU A 19 -0.923 -2.285 -24.183 1.00 32.53 C ATOM 294 CD GLU A 19 -0.714 -3.769 -24.416 1.00 74.12 C ATOM 295 OE1 GLU A 19 -1.082 -4.567 -23.529 1.00 74.44 O ATOM 296 OE2 GLU A 19 -0.183 -4.131 -25.487 1.00 23.53 O ATOM 0 H GLU A 19 0.209 0.007 -22.257 1.00 2.44 H new ATOM 0 HA GLU A 19 -2.386 -0.280 -23.393 1.00 33.32 H new ATOM 0 HB2 GLU A 19 -0.303 -2.058 -22.148 1.00 10.42 H new ATOM 0 HB3 GLU A 19 -1.925 -2.692 -22.338 1.00 10.42 H new ATOM 0 HG2 GLU A 19 -1.747 -1.935 -24.806 1.00 32.53 H new ATOM 0 HG3 GLU A 19 -0.032 -1.742 -24.499 1.00 32.53 H new ATOM 303 N PHE A 20 -2.090 -0.460 -20.115 1.00 63.15 N ATOM 304 CA PHE A 20 -2.840 -0.440 -18.865 1.00 54.45 C ATOM 305 C PHE A 20 -3.683 0.828 -18.758 1.00 32.11 C ATOM 306 O PHE A 20 -4.890 0.767 -18.520 1.00 43.21 O ATOM 307 CB PHE A 20 -1.888 -0.535 -17.672 1.00 44.31 C ATOM 308 CG PHE A 20 -0.953 -1.708 -17.743 1.00 61.34 C ATOM 309 CD1 PHE A 20 -1.343 -2.885 -18.362 1.00 35.24 C ATOM 310 CD2 PHE A 20 0.316 -1.634 -17.193 1.00 24.42 C ATOM 311 CE1 PHE A 20 -0.486 -3.967 -18.428 1.00 5.22 C ATOM 312 CE2 PHE A 20 1.179 -2.713 -17.256 1.00 51.44 C ATOM 313 CZ PHE A 20 0.778 -3.880 -17.876 1.00 14.03 C ATOM 0 H PHE A 20 -1.078 -0.407 -20.000 1.00 63.15 H new ATOM 0 HA PHE A 20 -3.507 -1.302 -18.857 1.00 54.45 H new ATOM 0 HB2 PHE A 20 -1.303 0.383 -17.610 1.00 44.31 H new ATOM 0 HB3 PHE A 20 -2.473 -0.602 -16.755 1.00 44.31 H new ATOM 0 HD1 PHE A 20 -2.328 -2.957 -18.798 1.00 35.24 H new ATOM 0 HD2 PHE A 20 0.635 -0.723 -16.709 1.00 24.42 H new ATOM 0 HE1 PHE A 20 -0.804 -4.880 -18.910 1.00 5.22 H new ATOM 0 HE2 PHE A 20 2.165 -2.643 -16.821 1.00 51.44 H new ATOM 0 HZ PHE A 20 1.451 -4.723 -17.929 1.00 14.03 H new ATOM 323 N LYS A 21 -3.039 1.976 -18.934 1.00 43.42 N ATOM 324 CA LYS A 21 -3.727 3.260 -18.858 1.00 65.22 C ATOM 325 C LYS A 21 -4.898 3.308 -19.834 1.00 20.10 C ATOM 326 O LYS A 21 -5.898 3.981 -19.585 1.00 44.24 O ATOM 327 CB LYS A 21 -2.753 4.402 -19.157 1.00 41.01 C ATOM 328 CG LYS A 21 -3.150 5.722 -18.519 1.00 4.00 C ATOM 329 CD LYS A 21 -2.627 6.906 -19.316 1.00 32.23 C ATOM 330 CE LYS A 21 -2.564 8.165 -18.466 1.00 10.54 C ATOM 331 NZ LYS A 21 -1.330 8.211 -17.633 1.00 13.50 N ATOM 0 H LYS A 21 -2.040 2.044 -19.131 1.00 43.42 H new ATOM 0 HA LYS A 21 -4.115 3.377 -17.846 1.00 65.22 H new ATOM 0 HB2 LYS A 21 -1.760 4.123 -18.806 1.00 41.01 H new ATOM 0 HB3 LYS A 21 -2.684 4.536 -20.236 1.00 41.01 H new ATOM 0 HG2 LYS A 21 -4.236 5.781 -18.448 1.00 4.00 H new ATOM 0 HG3 LYS A 21 -2.761 5.767 -17.502 1.00 4.00 H new ATOM 0 HD2 LYS A 21 -1.634 6.676 -19.702 1.00 32.23 H new ATOM 0 HD3 LYS A 21 -3.272 7.079 -20.178 1.00 32.23 H new ATOM 0 HE2 LYS A 21 -2.599 9.042 -19.113 1.00 10.54 H new ATOM 0 HE3 LYS A 21 -3.440 8.211 -17.820 1.00 10.54 H new ATOM 0 HZ1 LYS A 21 -1.325 9.084 -17.068 1.00 13.50 H new ATOM 0 HZ2 LYS A 21 -1.309 7.388 -16.998 1.00 13.50 H new ATOM 0 HZ3 LYS A 21 -0.493 8.193 -18.251 1.00 13.50 H new ATOM 345 N ALA A 22 -4.768 2.588 -20.944 1.00 3.42 N ATOM 346 CA ALA A 22 -5.817 2.547 -21.955 1.00 31.44 C ATOM 347 C ALA A 22 -6.914 1.561 -21.567 1.00 22.40 C ATOM 348 O ALA A 22 -8.070 1.942 -21.389 1.00 52.34 O ATOM 349 CB ALA A 22 -5.230 2.180 -23.310 1.00 12.33 C ATOM 0 H ALA A 22 -3.947 2.025 -21.165 1.00 3.42 H new ATOM 0 HA ALA A 22 -6.263 3.539 -22.021 1.00 31.44 H new ATOM 0 HB1 ALA A 22 -6.025 2.153 -24.056 1.00 12.33 H new ATOM 0 HB2 ALA A 22 -4.487 2.924 -23.598 1.00 12.33 H new ATOM 0 HB3 ALA A 22 -4.757 1.200 -23.248 1.00 12.33 H new ATOM 355 N ALA A 23 -6.543 0.291 -21.438 1.00 71.11 N ATOM 356 CA ALA A 23 -7.495 -0.749 -21.070 1.00 75.42 C ATOM 357 C ALA A 23 -8.229 -0.392 -19.782 1.00 51.52 C ATOM 358 O ALA A 23 -9.365 -0.814 -19.565 1.00 51.31 O ATOM 359 CB ALA A 23 -6.785 -2.087 -20.921 1.00 50.42 C ATOM 0 H ALA A 23 -5.590 -0.042 -21.583 1.00 71.11 H new ATOM 0 HA ALA A 23 -8.233 -0.828 -21.868 1.00 75.42 H new ATOM 0 HB1 ALA A 23 -7.509 -2.854 -20.646 1.00 50.42 H new ATOM 0 HB2 ALA A 23 -6.313 -2.356 -21.866 1.00 50.42 H new ATOM 0 HB3 ALA A 23 -6.024 -2.011 -20.144 1.00 50.42 H new ATOM 365 N PHE A 24 -7.572 0.389 -18.930 1.00 35.40 N ATOM 366 CA PHE A 24 -8.162 0.802 -17.662 1.00 31.12 C ATOM 367 C PHE A 24 -9.320 1.770 -17.890 1.00 25.30 C ATOM 368 O PHE A 24 -10.335 1.714 -17.197 1.00 34.32 O ATOM 369 CB PHE A 24 -7.103 1.456 -16.772 1.00 12.20 C ATOM 370 CG PHE A 24 -7.670 2.096 -15.537 1.00 53.43 C ATOM 371 CD1 PHE A 24 -7.932 1.340 -14.406 1.00 73.35 C ATOM 372 CD2 PHE A 24 -7.941 3.455 -15.507 1.00 62.02 C ATOM 373 CE1 PHE A 24 -8.455 1.926 -13.269 1.00 42.44 C ATOM 374 CE2 PHE A 24 -8.463 4.047 -14.373 1.00 0.33 C ATOM 375 CZ PHE A 24 -8.719 3.282 -13.252 1.00 73.00 C ATOM 0 H PHE A 24 -6.632 0.748 -19.095 1.00 35.40 H new ATOM 0 HA PHE A 24 -8.548 -0.087 -17.163 1.00 31.12 H new ATOM 0 HB2 PHE A 24 -6.372 0.703 -16.478 1.00 12.20 H new ATOM 0 HB3 PHE A 24 -6.569 2.210 -17.350 1.00 12.20 H new ATOM 0 HD1 PHE A 24 -7.725 0.280 -14.413 1.00 73.35 H new ATOM 0 HD2 PHE A 24 -7.742 4.058 -16.380 1.00 62.02 H new ATOM 0 HE1 PHE A 24 -8.657 1.325 -12.395 1.00 42.44 H new ATOM 0 HE2 PHE A 24 -8.671 5.107 -14.363 1.00 0.33 H new ATOM 0 HZ PHE A 24 -9.125 3.743 -12.364 1.00 73.00 H new ATOM 385 N ASP A 25 -9.158 2.656 -18.866 1.00 4.43 N ATOM 386 CA ASP A 25 -10.188 3.637 -19.187 1.00 33.13 C ATOM 387 C ASP A 25 -11.496 2.947 -19.563 1.00 41.40 C ATOM 388 O ASP A 25 -12.574 3.366 -19.140 1.00 2.12 O ATOM 389 CB ASP A 25 -9.725 4.539 -20.332 1.00 11.25 C ATOM 390 CG ASP A 25 -10.797 5.519 -20.766 1.00 41.31 C ATOM 391 OD1 ASP A 25 -11.603 5.937 -19.908 1.00 62.10 O ATOM 392 OD2 ASP A 25 -10.829 5.870 -21.964 1.00 74.52 O ATOM 0 H ASP A 25 -8.323 2.715 -19.449 1.00 4.43 H new ATOM 0 HA ASP A 25 -10.362 4.248 -18.302 1.00 33.13 H new ATOM 0 HB2 ASP A 25 -8.838 5.090 -20.021 1.00 11.25 H new ATOM 0 HB3 ASP A 25 -9.435 3.922 -21.182 1.00 11.25 H new ATOM 397 N ILE A 26 -11.393 1.890 -20.361 1.00 21.11 N ATOM 398 CA ILE A 26 -12.567 1.143 -20.794 1.00 53.11 C ATOM 399 C ILE A 26 -13.239 0.443 -19.617 1.00 44.24 C ATOM 400 O ILE A 26 -14.465 0.366 -19.545 1.00 32.50 O ATOM 401 CB ILE A 26 -12.205 0.094 -21.862 1.00 50.10 C ATOM 402 CG1 ILE A 26 -11.573 0.771 -23.080 1.00 15.50 C ATOM 403 CG2 ILE A 26 -13.440 -0.695 -22.269 1.00 71.43 C ATOM 404 CD1 ILE A 26 -10.065 0.665 -23.116 1.00 70.23 C ATOM 0 H ILE A 26 -10.508 1.532 -20.721 1.00 21.11 H new ATOM 0 HA ILE A 26 -13.259 1.866 -21.226 1.00 53.11 H new ATOM 0 HB ILE A 26 -11.478 -0.599 -21.438 1.00 50.10 H new ATOM 0 HG12 ILE A 26 -11.982 0.325 -23.986 1.00 15.50 H new ATOM 0 HG13 ILE A 26 -11.855 1.824 -23.087 1.00 15.50 H new ATOM 0 HG21 ILE A 26 -13.168 -1.432 -23.024 1.00 71.43 H new ATOM 0 HG22 ILE A 26 -13.851 -1.204 -21.397 1.00 71.43 H new ATOM 0 HG23 ILE A 26 -14.188 -0.015 -22.678 1.00 71.43 H new ATOM 0 HD11 ILE A 26 -9.686 1.167 -24.006 1.00 70.23 H new ATOM 0 HD12 ILE A 26 -9.646 1.137 -22.227 1.00 70.23 H new ATOM 0 HD13 ILE A 26 -9.775 -0.385 -23.140 1.00 70.23 H new ATOM 416 N PHE A 27 -12.426 -0.064 -18.696 1.00 14.32 N ATOM 417 CA PHE A 27 -12.941 -0.757 -17.521 1.00 14.23 C ATOM 418 C PHE A 27 -13.767 0.187 -16.651 1.00 72.22 C ATOM 419 O PHE A 27 -14.912 -0.109 -16.308 1.00 23.12 O ATOM 420 CB PHE A 27 -11.789 -1.345 -16.703 1.00 52.53 C ATOM 421 CG PHE A 27 -11.412 -2.739 -17.115 1.00 51.23 C ATOM 422 CD1 PHE A 27 -11.099 -3.025 -18.435 1.00 11.35 C ATOM 423 CD2 PHE A 27 -11.370 -3.763 -16.184 1.00 21.35 C ATOM 424 CE1 PHE A 27 -10.753 -4.307 -18.816 1.00 44.03 C ATOM 425 CE2 PHE A 27 -11.024 -5.048 -16.559 1.00 43.44 C ATOM 426 CZ PHE A 27 -10.714 -5.319 -17.877 1.00 64.45 C ATOM 0 H PHE A 27 -11.409 -0.008 -18.741 1.00 14.32 H new ATOM 0 HA PHE A 27 -13.586 -1.567 -17.862 1.00 14.23 H new ATOM 0 HB2 PHE A 27 -10.917 -0.698 -16.800 1.00 52.53 H new ATOM 0 HB3 PHE A 27 -12.067 -1.349 -15.649 1.00 52.53 H new ATOM 0 HD1 PHE A 27 -11.126 -2.237 -19.173 1.00 11.35 H new ATOM 0 HD2 PHE A 27 -11.611 -3.555 -15.152 1.00 21.35 H new ATOM 0 HE1 PHE A 27 -10.513 -4.518 -19.848 1.00 44.03 H new ATOM 0 HE2 PHE A 27 -10.996 -5.838 -15.823 1.00 43.44 H new ATOM 0 HZ PHE A 27 -10.441 -6.321 -18.173 1.00 64.45 H new ATOM 436 N VAL A 28 -13.178 1.325 -16.298 1.00 24.41 N ATOM 437 CA VAL A 28 -13.857 2.313 -15.469 1.00 35.31 C ATOM 438 C VAL A 28 -14.726 3.237 -16.316 1.00 25.34 C ATOM 439 O VAL A 28 -15.314 4.192 -15.807 1.00 75.34 O ATOM 440 CB VAL A 28 -12.852 3.162 -14.669 1.00 23.32 C ATOM 441 CG1 VAL A 28 -11.932 2.269 -13.849 1.00 53.22 C ATOM 442 CG2 VAL A 28 -12.048 4.055 -15.602 1.00 14.11 C ATOM 0 H VAL A 28 -12.231 1.585 -16.574 1.00 24.41 H new ATOM 0 HA VAL A 28 -14.489 1.761 -14.773 1.00 35.31 H new ATOM 0 HB VAL A 28 -13.408 3.800 -13.982 1.00 23.32 H new ATOM 0 HG11 VAL A 28 -11.229 2.887 -13.290 1.00 53.22 H new ATOM 0 HG12 VAL A 28 -12.526 1.676 -13.154 1.00 53.22 H new ATOM 0 HG13 VAL A 28 -11.382 1.604 -14.515 1.00 53.22 H new ATOM 0 HG21 VAL A 28 -11.343 4.648 -15.020 1.00 14.11 H new ATOM 0 HG22 VAL A 28 -11.501 3.438 -16.315 1.00 14.11 H new ATOM 0 HG23 VAL A 28 -12.723 4.720 -16.141 1.00 14.11 H new ATOM 452 N LEU A 29 -14.801 2.947 -17.610 1.00 31.43 N ATOM 453 CA LEU A 29 -15.599 3.751 -18.529 1.00 4.11 C ATOM 454 C LEU A 29 -17.078 3.691 -18.162 1.00 41.40 C ATOM 455 O LEU A 29 -17.859 4.561 -18.545 1.00 43.35 O ATOM 456 CB LEU A 29 -15.398 3.268 -19.966 1.00 50.14 C ATOM 457 CG LEU A 29 -16.579 2.530 -20.597 1.00 60.52 C ATOM 458 CD1 LEU A 29 -17.544 3.515 -21.238 1.00 60.11 C ATOM 459 CD2 LEU A 29 -16.089 1.517 -21.622 1.00 61.00 C ATOM 0 H LEU A 29 -14.319 2.161 -18.047 1.00 31.43 H new ATOM 0 HA LEU A 29 -15.266 4.786 -18.450 1.00 4.11 H new ATOM 0 HB2 LEU A 29 -15.160 4.131 -20.588 1.00 50.14 H new ATOM 0 HB3 LEU A 29 -14.530 2.609 -19.989 1.00 50.14 H new ATOM 0 HG LEU A 29 -17.109 1.994 -19.810 1.00 60.52 H new ATOM 0 HD11 LEU A 29 -18.378 2.971 -21.682 1.00 60.11 H new ATOM 0 HD12 LEU A 29 -17.921 4.201 -20.479 1.00 60.11 H new ATOM 0 HD13 LEU A 29 -17.026 4.080 -22.013 1.00 60.11 H new ATOM 0 HD21 LEU A 29 -16.943 1.001 -22.061 1.00 61.00 H new ATOM 0 HD22 LEU A 29 -15.534 2.032 -22.406 1.00 61.00 H new ATOM 0 HD23 LEU A 29 -15.438 0.791 -21.134 1.00 61.00 H new ATOM 471 N GLY A 30 -17.456 2.659 -17.414 1.00 61.34 N ATOM 472 CA GLY A 30 -18.840 2.506 -17.006 1.00 71.33 C ATOM 473 C GLY A 30 -19.131 3.179 -15.680 1.00 32.33 C ATOM 474 O GLY A 30 -20.279 3.506 -15.381 1.00 52.30 O ATOM 0 H GLY A 30 -16.828 1.926 -17.083 1.00 61.34 H new ATOM 0 HA2 GLY A 30 -19.490 2.926 -17.773 1.00 71.33 H new ATOM 0 HA3 GLY A 30 -19.078 1.445 -16.932 1.00 71.33 H new ATOM 478 N ALA A 31 -18.089 3.384 -14.881 1.00 11.11 N ATOM 479 CA ALA A 31 -18.239 4.023 -13.579 1.00 64.41 C ATOM 480 C ALA A 31 -18.484 5.520 -13.727 1.00 42.31 C ATOM 481 O ALA A 31 -18.563 6.038 -14.841 1.00 23.04 O ATOM 482 CB ALA A 31 -17.007 3.769 -12.723 1.00 2.54 C ATOM 0 H ALA A 31 -17.132 3.117 -15.112 1.00 11.11 H new ATOM 0 HA ALA A 31 -19.108 3.587 -13.085 1.00 64.41 H new ATOM 0 HB1 ALA A 31 -17.132 4.251 -11.754 1.00 2.54 H new ATOM 0 HB2 ALA A 31 -16.878 2.696 -12.580 1.00 2.54 H new ATOM 0 HB3 ALA A 31 -16.128 4.177 -13.221 1.00 2.54 H new ATOM 488 N GLU A 32 -18.604 6.210 -12.597 1.00 41.31 N ATOM 489 CA GLU A 32 -18.842 7.649 -12.603 1.00 23.11 C ATOM 490 C GLU A 32 -17.589 8.409 -12.179 1.00 5.33 C ATOM 491 O GLU A 32 -17.226 9.417 -12.786 1.00 65.20 O ATOM 492 CB GLU A 32 -20.004 8.000 -11.672 1.00 31.23 C ATOM 493 CG GLU A 32 -19.916 7.332 -10.310 1.00 2.13 C ATOM 494 CD GLU A 32 -21.081 7.691 -9.408 1.00 22.54 C ATOM 495 OE1 GLU A 32 -21.894 8.553 -9.801 1.00 65.35 O ATOM 496 OE2 GLU A 32 -21.179 7.108 -8.307 1.00 74.24 O ATOM 0 H GLU A 32 -18.540 5.796 -11.667 1.00 41.31 H new ATOM 0 HA GLU A 32 -19.099 7.945 -13.620 1.00 23.11 H new ATOM 0 HB2 GLU A 32 -20.036 9.081 -11.536 1.00 31.23 H new ATOM 0 HB3 GLU A 32 -20.941 7.711 -12.149 1.00 31.23 H new ATOM 0 HG2 GLU A 32 -19.883 6.250 -10.441 1.00 2.13 H new ATOM 0 HG3 GLU A 32 -18.984 7.623 -9.826 1.00 2.13 H new ATOM 503 N ASP A 33 -16.933 7.920 -11.133 1.00 25.45 N ATOM 504 CA ASP A 33 -15.720 8.552 -10.626 1.00 64.44 C ATOM 505 C ASP A 33 -14.484 7.991 -11.323 1.00 25.13 C ATOM 506 O ASP A 33 -13.501 8.701 -11.531 1.00 64.55 O ATOM 507 CB ASP A 33 -15.605 8.348 -9.115 1.00 33.21 C ATOM 508 CG ASP A 33 -16.824 8.854 -8.369 1.00 32.43 C ATOM 509 OD1 ASP A 33 -17.010 10.087 -8.302 1.00 41.01 O ATOM 510 OD2 ASP A 33 -17.593 8.016 -7.852 1.00 42.30 O ATOM 0 H ASP A 33 -17.221 7.087 -10.619 1.00 25.45 H new ATOM 0 HA ASP A 33 -15.781 9.620 -10.836 1.00 64.44 H new ATOM 0 HB2 ASP A 33 -15.467 7.288 -8.904 1.00 33.21 H new ATOM 0 HB3 ASP A 33 -14.718 8.864 -8.748 1.00 33.21 H new ATOM 515 N GLY A 34 -14.541 6.711 -11.679 1.00 45.12 N ATOM 516 CA GLY A 34 -13.419 6.076 -12.347 1.00 11.43 C ATOM 517 C GLY A 34 -12.755 5.019 -11.487 1.00 14.11 C ATOM 518 O GLY A 34 -11.560 5.101 -11.203 1.00 1.44 O ATOM 0 H GLY A 34 -15.344 6.103 -11.517 1.00 45.12 H new ATOM 0 HA2 GLY A 34 -13.763 5.621 -13.276 1.00 11.43 H new ATOM 0 HA3 GLY A 34 -12.684 6.835 -12.617 1.00 11.43 H new ATOM 522 N CYS A 35 -13.532 4.025 -11.071 1.00 25.25 N ATOM 523 CA CYS A 35 -13.012 2.948 -10.235 1.00 70.43 C ATOM 524 C CYS A 35 -13.691 1.624 -10.571 1.00 31.22 C ATOM 525 O CYS A 35 -14.618 1.578 -11.380 1.00 50.12 O ATOM 526 CB CYS A 35 -13.215 3.278 -8.756 1.00 3.30 C ATOM 527 SG CYS A 35 -12.183 4.636 -8.155 1.00 25.42 S ATOM 0 H CYS A 35 -14.523 3.942 -11.298 1.00 25.25 H new ATOM 0 HA CYS A 35 -11.945 2.850 -10.434 1.00 70.43 H new ATOM 0 HB2 CYS A 35 -14.262 3.531 -8.592 1.00 3.30 H new ATOM 0 HB3 CYS A 35 -13.006 2.387 -8.164 1.00 3.30 H new ATOM 0 HG CYS A 35 -11.588 5.206 -9.160 1.00 25.42 H new ATOM 533 N ILE A 36 -13.223 0.549 -9.945 1.00 2.41 N ATOM 534 CA ILE A 36 -13.785 -0.775 -10.178 1.00 23.32 C ATOM 535 C ILE A 36 -14.006 -1.517 -8.864 1.00 71.10 C ATOM 536 O ILE A 36 -13.052 -1.900 -8.187 1.00 70.42 O ATOM 537 CB ILE A 36 -12.873 -1.622 -11.085 1.00 62.11 C ATOM 538 CG1 ILE A 36 -12.683 -0.934 -12.439 1.00 21.33 C ATOM 539 CG2 ILE A 36 -13.456 -3.015 -11.270 1.00 23.22 C ATOM 540 CD1 ILE A 36 -11.400 -1.324 -13.140 1.00 15.02 C ATOM 0 H ILE A 36 -12.456 0.570 -9.273 1.00 2.41 H new ATOM 0 HA ILE A 36 -14.744 -0.628 -10.676 1.00 23.32 H new ATOM 0 HB ILE A 36 -11.898 -1.718 -10.607 1.00 62.11 H new ATOM 0 HG12 ILE A 36 -13.528 -1.178 -13.083 1.00 21.33 H new ATOM 0 HG13 ILE A 36 -12.694 0.146 -12.293 1.00 21.33 H new ATOM 0 HG21 ILE A 36 -12.800 -3.601 -11.913 1.00 23.22 H new ATOM 0 HG22 ILE A 36 -13.545 -3.504 -10.300 1.00 23.22 H new ATOM 0 HG23 ILE A 36 -14.442 -2.939 -11.729 1.00 23.22 H new ATOM 0 HD11 ILE A 36 -11.332 -0.799 -14.093 1.00 15.02 H new ATOM 0 HD12 ILE A 36 -10.548 -1.055 -12.516 1.00 15.02 H new ATOM 0 HD13 ILE A 36 -11.395 -2.399 -13.317 1.00 15.02 H new ATOM 552 N SER A 37 -15.272 -1.718 -8.510 1.00 45.11 N ATOM 553 CA SER A 37 -15.619 -2.413 -7.276 1.00 11.50 C ATOM 554 C SER A 37 -15.732 -3.916 -7.512 1.00 3.41 C ATOM 555 O SER A 37 -16.141 -4.359 -8.585 1.00 71.33 O ATOM 556 CB SER A 37 -16.936 -1.873 -6.716 1.00 13.34 C ATOM 557 OG SER A 37 -17.867 -1.620 -7.754 1.00 70.40 O ATOM 0 H SER A 37 -16.074 -1.409 -9.060 1.00 45.11 H new ATOM 0 HA SER A 37 -14.824 -2.236 -6.552 1.00 11.50 H new ATOM 0 HB2 SER A 37 -17.357 -2.591 -6.013 1.00 13.34 H new ATOM 0 HB3 SER A 37 -16.749 -0.955 -6.160 1.00 13.34 H new ATOM 0 HG SER A 37 -18.554 -0.999 -7.433 1.00 70.40 H new ATOM 563 N THR A 38 -15.365 -4.696 -6.500 1.00 61.31 N ATOM 564 CA THR A 38 -15.423 -6.149 -6.596 1.00 22.31 C ATOM 565 C THR A 38 -16.791 -6.614 -7.081 1.00 31.30 C ATOM 566 O THR A 38 -16.910 -7.648 -7.740 1.00 1.42 O ATOM 567 CB THR A 38 -15.118 -6.814 -5.240 1.00 70.34 C ATOM 568 OG1 THR A 38 -15.467 -8.202 -5.286 1.00 73.30 O ATOM 569 CG2 THR A 38 -15.884 -6.130 -4.118 1.00 25.22 C ATOM 0 H THR A 38 -15.025 -4.346 -5.605 1.00 61.31 H new ATOM 0 HA THR A 38 -14.664 -6.449 -7.318 1.00 22.31 H new ATOM 0 HB THR A 38 -14.051 -6.715 -5.043 1.00 70.34 H new ATOM 0 HG1 THR A 38 -15.269 -8.618 -4.421 1.00 73.30 H new ATOM 0 HG21 THR A 38 -15.653 -6.617 -3.170 1.00 25.22 H new ATOM 0 HG22 THR A 38 -15.595 -5.080 -4.067 1.00 25.22 H new ATOM 0 HG23 THR A 38 -16.954 -6.202 -4.311 1.00 25.22 H new ATOM 577 N LYS A 39 -17.823 -5.845 -6.752 1.00 11.11 N ATOM 578 CA LYS A 39 -19.184 -6.176 -7.155 1.00 75.24 C ATOM 579 C LYS A 39 -19.321 -6.160 -8.675 1.00 2.14 C ATOM 580 O LYS A 39 -19.885 -7.080 -9.265 1.00 54.14 O ATOM 581 CB LYS A 39 -20.177 -5.191 -6.533 1.00 62.32 C ATOM 582 CG LYS A 39 -19.852 -3.736 -6.823 1.00 75.13 C ATOM 583 CD LYS A 39 -20.190 -2.843 -5.641 1.00 64.10 C ATOM 584 CE LYS A 39 -21.693 -2.682 -5.475 1.00 41.43 C ATOM 585 NZ LYS A 39 -22.041 -2.017 -4.189 1.00 22.01 N ATOM 0 H LYS A 39 -17.742 -4.987 -6.206 1.00 11.11 H new ATOM 0 HA LYS A 39 -19.407 -7.181 -6.798 1.00 75.24 H new ATOM 0 HB2 LYS A 39 -21.177 -5.412 -6.905 1.00 62.32 H new ATOM 0 HB3 LYS A 39 -20.198 -5.342 -5.454 1.00 62.32 H new ATOM 0 HG2 LYS A 39 -18.793 -3.639 -7.062 1.00 75.13 H new ATOM 0 HG3 LYS A 39 -20.408 -3.406 -7.700 1.00 75.13 H new ATOM 0 HD2 LYS A 39 -19.766 -3.267 -4.731 1.00 64.10 H new ATOM 0 HD3 LYS A 39 -19.732 -1.864 -5.781 1.00 64.10 H new ATOM 0 HE2 LYS A 39 -22.089 -2.097 -6.305 1.00 41.43 H new ATOM 0 HE3 LYS A 39 -22.170 -3.661 -5.518 1.00 41.43 H new ATOM 0 HZ1 LYS A 39 -23.074 -1.926 -4.114 1.00 22.01 H new ATOM 0 HZ2 LYS A 39 -21.685 -2.588 -3.396 1.00 22.01 H new ATOM 0 HZ3 LYS A 39 -21.607 -1.072 -4.158 1.00 22.01 H new ATOM 599 N GLU A 40 -18.799 -5.109 -9.300 1.00 62.40 N ATOM 600 CA GLU A 40 -18.863 -4.976 -10.751 1.00 4.54 C ATOM 601 C GLU A 40 -17.802 -5.842 -11.424 1.00 42.51 C ATOM 602 O GLU A 40 -18.055 -6.462 -12.458 1.00 20.04 O ATOM 603 CB GLU A 40 -18.677 -3.513 -11.159 1.00 3.43 C ATOM 604 CG GLU A 40 -19.530 -2.544 -10.357 1.00 50.02 C ATOM 605 CD GLU A 40 -21.013 -2.712 -10.626 1.00 62.43 C ATOM 606 OE1 GLU A 40 -21.364 -3.211 -11.716 1.00 73.02 O ATOM 607 OE2 GLU A 40 -21.821 -2.346 -9.748 1.00 52.22 O ATOM 0 H GLU A 40 -18.328 -4.339 -8.825 1.00 62.40 H new ATOM 0 HA GLU A 40 -19.846 -5.315 -11.079 1.00 4.54 H new ATOM 0 HB2 GLU A 40 -17.628 -3.243 -11.042 1.00 3.43 H new ATOM 0 HB3 GLU A 40 -18.918 -3.406 -12.217 1.00 3.43 H new ATOM 0 HG2 GLU A 40 -19.338 -2.691 -9.294 1.00 50.02 H new ATOM 0 HG3 GLU A 40 -19.235 -1.522 -10.596 1.00 50.02 H new ATOM 614 N LEU A 41 -16.613 -5.878 -10.832 1.00 33.22 N ATOM 615 CA LEU A 41 -15.512 -6.667 -11.374 1.00 35.35 C ATOM 616 C LEU A 41 -15.940 -8.114 -11.602 1.00 0.34 C ATOM 617 O LEU A 41 -15.411 -8.797 -12.477 1.00 22.53 O ATOM 618 CB LEU A 41 -14.312 -6.622 -10.427 1.00 1.33 C ATOM 619 CG LEU A 41 -13.111 -7.481 -10.823 1.00 72.24 C ATOM 620 CD1 LEU A 41 -12.819 -7.337 -12.309 1.00 20.01 C ATOM 621 CD2 LEU A 41 -11.889 -7.104 -9.999 1.00 13.25 C ATOM 0 H LEU A 41 -16.387 -5.370 -9.977 1.00 33.22 H new ATOM 0 HA LEU A 41 -15.226 -6.236 -12.334 1.00 35.35 H new ATOM 0 HB2 LEU A 41 -13.981 -5.587 -10.342 1.00 1.33 H new ATOM 0 HB3 LEU A 41 -14.645 -6.933 -9.437 1.00 1.33 H new ATOM 0 HG LEU A 41 -13.353 -8.524 -10.620 1.00 72.24 H new ATOM 0 HD11 LEU A 41 -11.961 -7.955 -12.573 1.00 20.01 H new ATOM 0 HD12 LEU A 41 -13.688 -7.658 -12.883 1.00 20.01 H new ATOM 0 HD13 LEU A 41 -12.598 -6.294 -12.537 1.00 20.01 H new ATOM 0 HD21 LEU A 41 -11.044 -7.726 -10.295 1.00 13.25 H new ATOM 0 HD22 LEU A 41 -11.645 -6.055 -10.169 1.00 13.25 H new ATOM 0 HD23 LEU A 41 -12.101 -7.260 -8.941 1.00 13.25 H new ATOM 633 N GLY A 42 -16.904 -8.573 -10.809 1.00 5.14 N ATOM 634 CA GLY A 42 -17.387 -9.935 -10.941 1.00 55.53 C ATOM 635 C GLY A 42 -17.891 -10.237 -12.339 1.00 23.43 C ATOM 636 O GLY A 42 -17.765 -11.363 -12.822 1.00 44.42 O ATOM 0 H GLY A 42 -17.359 -8.026 -10.078 1.00 5.14 H new ATOM 0 HA2 GLY A 42 -16.584 -10.628 -10.690 1.00 55.53 H new ATOM 0 HA3 GLY A 42 -18.190 -10.104 -10.224 1.00 55.53 H new ATOM 640 N LYS A 43 -18.465 -9.232 -12.990 1.00 43.50 N ATOM 641 CA LYS A 43 -18.990 -9.394 -14.340 1.00 60.44 C ATOM 642 C LYS A 43 -17.858 -9.587 -15.345 1.00 13.11 C ATOM 643 O LYS A 43 -17.849 -10.553 -16.108 1.00 35.24 O ATOM 644 CB LYS A 43 -19.832 -8.178 -14.732 1.00 74.32 C ATOM 645 CG LYS A 43 -21.329 -8.424 -14.652 1.00 12.22 C ATOM 646 CD LYS A 43 -22.109 -7.367 -15.416 1.00 34.15 C ATOM 647 CE LYS A 43 -23.049 -7.995 -16.433 1.00 73.22 C ATOM 648 NZ LYS A 43 -22.366 -8.259 -17.730 1.00 35.21 N ATOM 0 H LYS A 43 -18.579 -8.295 -12.604 1.00 43.50 H new ATOM 0 HA LYS A 43 -19.620 -10.284 -14.353 1.00 60.44 H new ATOM 0 HB2 LYS A 43 -19.574 -7.343 -14.081 1.00 74.32 H new ATOM 0 HB3 LYS A 43 -19.575 -7.881 -15.749 1.00 74.32 H new ATOM 0 HG2 LYS A 43 -21.559 -9.410 -15.056 1.00 12.22 H new ATOM 0 HG3 LYS A 43 -21.643 -8.426 -13.608 1.00 12.22 H new ATOM 0 HD2 LYS A 43 -22.682 -6.759 -14.716 1.00 34.15 H new ATOM 0 HD3 LYS A 43 -21.415 -6.698 -15.925 1.00 34.15 H new ATOM 0 HE2 LYS A 43 -23.444 -8.929 -16.034 1.00 73.22 H new ATOM 0 HE3 LYS A 43 -23.900 -7.334 -16.598 1.00 73.22 H new ATOM 0 HZ1 LYS A 43 -23.040 -8.687 -18.396 1.00 35.21 H new ATOM 0 HZ2 LYS A 43 -22.011 -7.364 -18.124 1.00 35.21 H new ATOM 0 HZ3 LYS A 43 -21.570 -8.910 -17.577 1.00 35.21 H new ATOM 662 N VAL A 44 -16.904 -8.662 -15.339 1.00 1.31 N ATOM 663 CA VAL A 44 -15.766 -8.731 -16.248 1.00 21.34 C ATOM 664 C VAL A 44 -15.077 -10.088 -16.162 1.00 63.53 C ATOM 665 O VAL A 44 -14.444 -10.536 -17.118 1.00 43.42 O ATOM 666 CB VAL A 44 -14.737 -7.626 -15.945 1.00 13.52 C ATOM 667 CG1 VAL A 44 -13.613 -7.647 -16.969 1.00 22.01 C ATOM 668 CG2 VAL A 44 -15.414 -6.263 -15.912 1.00 60.54 C ATOM 0 H VAL A 44 -16.896 -7.856 -14.715 1.00 1.31 H new ATOM 0 HA VAL A 44 -16.156 -8.587 -17.255 1.00 21.34 H new ATOM 0 HB VAL A 44 -14.304 -7.816 -14.963 1.00 13.52 H new ATOM 0 HG11 VAL A 44 -12.896 -6.859 -16.738 1.00 22.01 H new ATOM 0 HG12 VAL A 44 -13.112 -8.614 -16.939 1.00 22.01 H new ATOM 0 HG13 VAL A 44 -14.025 -7.483 -17.965 1.00 22.01 H new ATOM 0 HG21 VAL A 44 -14.673 -5.494 -15.697 1.00 60.54 H new ATOM 0 HG22 VAL A 44 -15.875 -6.062 -16.879 1.00 60.54 H new ATOM 0 HG23 VAL A 44 -16.180 -6.256 -15.137 1.00 60.54 H new ATOM 678 N MET A 45 -15.205 -10.740 -15.011 1.00 4.52 N ATOM 679 CA MET A 45 -14.595 -12.048 -14.801 1.00 51.31 C ATOM 680 C MET A 45 -15.292 -13.113 -15.641 1.00 73.20 C ATOM 681 O MET A 45 -14.641 -13.971 -16.238 1.00 0.23 O ATOM 682 CB MET A 45 -14.653 -12.430 -13.321 1.00 11.22 C ATOM 683 CG MET A 45 -13.940 -11.444 -12.410 1.00 44.33 C ATOM 684 SD MET A 45 -12.308 -12.021 -11.904 1.00 52.11 S ATOM 685 CE MET A 45 -11.588 -12.434 -13.491 1.00 22.10 C ATOM 0 H MET A 45 -15.726 -10.384 -14.209 1.00 4.52 H new ATOM 0 HA MET A 45 -13.552 -11.989 -15.112 1.00 51.31 H new ATOM 0 HB2 MET A 45 -15.696 -12.506 -13.015 1.00 11.22 H new ATOM 0 HB3 MET A 45 -14.210 -13.417 -13.192 1.00 11.22 H new ATOM 0 HG2 MET A 45 -13.840 -10.488 -12.923 1.00 44.33 H new ATOM 0 HG3 MET A 45 -14.550 -11.268 -11.524 1.00 44.33 H new ATOM 0 HE1 MET A 45 -10.556 -12.757 -13.350 1.00 22.10 H new ATOM 0 HE2 MET A 45 -12.160 -13.239 -13.952 1.00 22.10 H new ATOM 0 HE3 MET A 45 -11.609 -11.558 -14.139 1.00 22.10 H new ATOM 695 N ARG A 46 -16.619 -13.053 -15.683 1.00 33.05 N ATOM 696 CA ARG A 46 -17.404 -14.014 -16.448 1.00 50.02 C ATOM 697 C ARG A 46 -17.208 -13.805 -17.947 1.00 13.41 C ATOM 698 O ARG A 46 -17.311 -14.745 -18.733 1.00 65.45 O ATOM 699 CB ARG A 46 -18.887 -13.890 -16.095 1.00 32.45 C ATOM 700 CG ARG A 46 -19.637 -12.888 -16.956 1.00 74.03 C ATOM 701 CD ARG A 46 -20.251 -13.553 -18.178 1.00 74.31 C ATOM 702 NE ARG A 46 -21.619 -14.002 -17.928 1.00 25.00 N ATOM 703 CZ ARG A 46 -22.402 -14.527 -18.863 1.00 54.01 C ATOM 704 NH1 ARG A 46 -21.957 -14.669 -20.104 1.00 5.23 N ATOM 705 NH2 ARG A 46 -23.635 -14.912 -18.558 1.00 10.11 N ATOM 0 H ARG A 46 -17.173 -12.349 -15.196 1.00 33.05 H new ATOM 0 HA ARG A 46 -17.059 -15.015 -16.189 1.00 50.02 H new ATOM 0 HB2 ARG A 46 -19.359 -14.868 -16.196 1.00 32.45 H new ATOM 0 HB3 ARG A 46 -18.979 -13.598 -15.049 1.00 32.45 H new ATOM 0 HG2 ARG A 46 -20.421 -12.414 -16.366 1.00 74.03 H new ATOM 0 HG3 ARG A 46 -18.956 -12.098 -17.274 1.00 74.03 H new ATOM 0 HD2 ARG A 46 -20.246 -12.852 -19.013 1.00 74.31 H new ATOM 0 HD3 ARG A 46 -19.638 -14.405 -18.473 1.00 74.31 H new ATOM 0 HE ARG A 46 -21.993 -13.907 -16.984 1.00 25.00 H new ATOM 0 HH11 ARG A 46 -21.010 -14.375 -20.343 1.00 5.23 H new ATOM 0 HH12 ARG A 46 -22.562 -15.073 -20.819 1.00 5.23 H new ATOM 0 HH21 ARG A 46 -23.982 -14.805 -17.605 1.00 10.11 H new ATOM 0 HH22 ARG A 46 -24.236 -15.315 -19.277 1.00 10.11 H new ATOM 719 N MET A 47 -16.927 -12.565 -18.334 1.00 51.31 N ATOM 720 CA MET A 47 -16.717 -12.232 -19.738 1.00 64.34 C ATOM 721 C MET A 47 -15.402 -12.818 -20.244 1.00 50.24 C ATOM 722 O MET A 47 -15.286 -13.192 -21.412 1.00 51.23 O ATOM 723 CB MET A 47 -16.720 -10.715 -19.931 1.00 53.34 C ATOM 724 CG MET A 47 -15.335 -10.126 -20.143 1.00 10.55 C ATOM 725 SD MET A 47 -15.368 -8.337 -20.366 1.00 3.44 S ATOM 726 CE MET A 47 -15.098 -8.211 -22.132 1.00 14.31 C ATOM 0 H MET A 47 -16.840 -11.775 -17.695 1.00 51.31 H new ATOM 0 HA MET A 47 -17.534 -12.665 -20.315 1.00 64.34 H new ATOM 0 HB2 MET A 47 -17.346 -10.467 -20.788 1.00 53.34 H new ATOM 0 HB3 MET A 47 -17.175 -10.247 -19.058 1.00 53.34 H new ATOM 0 HG2 MET A 47 -14.706 -10.370 -19.287 1.00 10.55 H new ATOM 0 HG3 MET A 47 -14.877 -10.589 -21.017 1.00 10.55 H new ATOM 0 HE1 MET A 47 -15.092 -7.161 -22.425 1.00 14.31 H new ATOM 0 HE2 MET A 47 -14.140 -8.664 -22.387 1.00 14.31 H new ATOM 0 HE3 MET A 47 -15.897 -8.731 -22.660 1.00 14.31 H new ATOM 736 N LEU A 48 -14.414 -12.894 -19.360 1.00 32.25 N ATOM 737 CA LEU A 48 -13.107 -13.434 -19.717 1.00 30.31 C ATOM 738 C LEU A 48 -13.154 -14.956 -19.811 1.00 42.04 C ATOM 739 O LEU A 48 -12.332 -15.572 -20.489 1.00 51.30 O ATOM 740 CB LEU A 48 -12.058 -13.008 -18.688 1.00 15.20 C ATOM 741 CG LEU A 48 -11.822 -11.503 -18.555 1.00 21.01 C ATOM 742 CD1 LEU A 48 -11.218 -11.176 -17.198 1.00 51.41 C ATOM 743 CD2 LEU A 48 -10.922 -11.003 -19.676 1.00 32.42 C ATOM 0 H LEU A 48 -14.493 -12.588 -18.390 1.00 32.25 H new ATOM 0 HA LEU A 48 -12.832 -13.036 -20.694 1.00 30.31 H new ATOM 0 HB2 LEU A 48 -12.355 -13.397 -17.714 1.00 15.20 H new ATOM 0 HB3 LEU A 48 -11.111 -13.483 -18.946 1.00 15.20 H new ATOM 0 HG LEU A 48 -12.783 -10.995 -18.634 1.00 21.01 H new ATOM 0 HD11 LEU A 48 -11.057 -10.101 -17.121 1.00 51.41 H new ATOM 0 HD12 LEU A 48 -11.898 -11.498 -16.410 1.00 51.41 H new ATOM 0 HD13 LEU A 48 -10.265 -11.694 -17.089 1.00 51.41 H new ATOM 0 HD21 LEU A 48 -10.765 -9.930 -19.565 1.00 32.42 H new ATOM 0 HD22 LEU A 48 -9.962 -11.517 -19.629 1.00 32.42 H new ATOM 0 HD23 LEU A 48 -11.394 -11.203 -20.638 1.00 32.42 H new ATOM 755 N GLY A 49 -14.123 -15.557 -19.128 1.00 13.11 N ATOM 756 CA GLY A 49 -14.261 -17.001 -19.150 1.00 21.42 C ATOM 757 C GLY A 49 -14.002 -17.629 -17.795 1.00 31.05 C ATOM 758 O GLY A 49 -13.792 -18.837 -17.694 1.00 30.43 O ATOM 0 H GLY A 49 -14.815 -15.069 -18.560 1.00 13.11 H new ATOM 0 HA2 GLY A 49 -15.266 -17.262 -19.482 1.00 21.42 H new ATOM 0 HA3 GLY A 49 -13.566 -17.418 -19.879 1.00 21.42 H new ATOM 762 N GLN A 50 -14.016 -16.806 -16.751 1.00 24.22 N ATOM 763 CA GLN A 50 -13.778 -17.288 -15.395 1.00 70.54 C ATOM 764 C GLN A 50 -14.909 -16.868 -14.462 1.00 64.21 C ATOM 765 O GLN A 50 -15.553 -15.842 -14.675 1.00 20.20 O ATOM 766 CB GLN A 50 -12.443 -16.758 -14.870 1.00 20.55 C ATOM 767 CG GLN A 50 -11.239 -17.540 -15.369 1.00 22.52 C ATOM 768 CD GLN A 50 -9.935 -17.049 -14.771 1.00 51.24 C ATOM 769 OE1 GLN A 50 -9.014 -16.665 -15.493 1.00 12.51 O ATOM 770 NE2 GLN A 50 -9.850 -17.058 -13.446 1.00 70.13 N ATOM 0 H GLN A 50 -14.189 -15.803 -16.818 1.00 24.22 H new ATOM 0 HA GLN A 50 -13.742 -18.377 -15.424 1.00 70.54 H new ATOM 0 HB2 GLN A 50 -12.335 -15.714 -15.164 1.00 20.55 H new ATOM 0 HB3 GLN A 50 -12.455 -16.782 -13.780 1.00 20.55 H new ATOM 0 HG2 GLN A 50 -11.370 -18.595 -15.128 1.00 22.52 H new ATOM 0 HG3 GLN A 50 -11.187 -17.465 -16.455 1.00 22.52 H new ATOM 0 HE21 GLN A 50 -10.638 -17.385 -12.887 1.00 70.13 H new ATOM 0 HE22 GLN A 50 -8.997 -16.738 -12.988 1.00 70.13 H new ATOM 779 N ASN A 51 -15.144 -17.669 -13.428 1.00 1.24 N ATOM 780 CA ASN A 51 -16.198 -17.380 -12.462 1.00 22.02 C ATOM 781 C ASN A 51 -15.720 -17.649 -11.038 1.00 62.22 C ATOM 782 O ASN A 51 -16.184 -18.569 -10.364 1.00 53.13 O ATOM 783 CB ASN A 51 -17.439 -18.223 -12.763 1.00 0.42 C ATOM 784 CG ASN A 51 -17.090 -19.639 -13.176 1.00 62.23 C ATOM 785 OD1 ASN A 51 -16.970 -19.939 -14.364 1.00 73.43 O ATOM 786 ND2 ASN A 51 -16.924 -20.518 -12.195 1.00 35.13 N ATOM 0 H ASN A 51 -14.619 -18.523 -13.237 1.00 1.24 H new ATOM 0 HA ASN A 51 -16.455 -16.324 -12.547 1.00 22.02 H new ATOM 0 HB2 ASN A 51 -18.078 -18.252 -11.880 1.00 0.42 H new ATOM 0 HB3 ASN A 51 -18.014 -17.747 -13.557 1.00 0.42 H new ATOM 0 HD21 ASN A 51 -16.687 -21.486 -12.412 1.00 35.13 H new ATOM 0 HD22 ASN A 51 -17.033 -20.225 -11.224 1.00 35.13 H new ATOM 793 N PRO A 52 -14.769 -16.828 -10.568 1.00 52.00 N ATOM 794 CA PRO A 52 -14.208 -16.956 -9.220 1.00 30.41 C ATOM 795 C PRO A 52 -15.211 -16.576 -8.136 1.00 3.30 C ATOM 796 O PRO A 52 -16.175 -15.854 -8.393 1.00 2.43 O ATOM 797 CB PRO A 52 -13.033 -15.975 -9.230 1.00 31.42 C ATOM 798 CG PRO A 52 -13.390 -14.967 -10.267 1.00 32.13 C ATOM 799 CD PRO A 52 -14.169 -15.710 -11.316 1.00 73.52 C ATOM 0 HA PRO A 52 -13.921 -17.983 -8.994 1.00 30.41 H new ATOM 0 HB2 PRO A 52 -12.899 -15.508 -8.254 1.00 31.42 H new ATOM 0 HB3 PRO A 52 -12.098 -16.480 -9.474 1.00 31.42 H new ATOM 0 HG2 PRO A 52 -13.984 -14.160 -9.838 1.00 32.13 H new ATOM 0 HG3 PRO A 52 -12.496 -14.513 -10.694 1.00 32.13 H new ATOM 0 HD2 PRO A 52 -14.930 -15.078 -11.774 1.00 73.52 H new ATOM 0 HD3 PRO A 52 -13.524 -16.065 -12.120 1.00 73.52 H new ATOM 807 N THR A 53 -14.978 -17.065 -6.922 1.00 63.41 N ATOM 808 CA THR A 53 -15.861 -16.777 -5.799 1.00 43.01 C ATOM 809 C THR A 53 -16.010 -15.275 -5.589 1.00 4.45 C ATOM 810 O THR A 53 -15.181 -14.477 -6.027 1.00 4.32 O ATOM 811 CB THR A 53 -15.342 -17.417 -4.498 1.00 31.43 C ATOM 812 OG1 THR A 53 -13.930 -17.635 -4.588 1.00 23.20 O ATOM 813 CG2 THR A 53 -16.048 -18.737 -4.226 1.00 25.44 C ATOM 0 H THR A 53 -14.184 -17.663 -6.692 1.00 63.41 H new ATOM 0 HA THR A 53 -16.833 -17.205 -6.043 1.00 43.01 H new ATOM 0 HB THR A 53 -15.551 -16.734 -3.674 1.00 31.43 H new ATOM 0 HG1 THR A 53 -13.608 -18.041 -3.756 1.00 23.20 H new ATOM 0 HG21 THR A 53 -15.665 -19.171 -3.302 1.00 25.44 H new ATOM 0 HG22 THR A 53 -17.120 -18.563 -4.128 1.00 25.44 H new ATOM 0 HG23 THR A 53 -15.866 -19.424 -5.052 1.00 25.44 H new ATOM 821 N PRO A 54 -17.090 -14.877 -4.901 1.00 55.21 N ATOM 822 CA PRO A 54 -17.373 -13.467 -4.616 1.00 5.13 C ATOM 823 C PRO A 54 -16.393 -12.872 -3.610 1.00 42.32 C ATOM 824 O PRO A 54 -15.833 -11.799 -3.836 1.00 33.40 O ATOM 825 CB PRO A 54 -18.786 -13.499 -4.030 1.00 33.51 C ATOM 826 CG PRO A 54 -18.929 -14.869 -3.460 1.00 41.34 C ATOM 827 CD PRO A 54 -18.120 -15.773 -4.349 1.00 32.01 C ATOM 0 HA PRO A 54 -17.281 -12.845 -5.506 1.00 5.13 H new ATOM 0 HB2 PRO A 54 -18.914 -12.736 -3.263 1.00 33.51 H new ATOM 0 HB3 PRO A 54 -19.537 -13.309 -4.797 1.00 33.51 H new ATOM 0 HG2 PRO A 54 -18.566 -14.904 -2.433 1.00 41.34 H new ATOM 0 HG3 PRO A 54 -19.975 -15.176 -3.439 1.00 41.34 H new ATOM 0 HD2 PRO A 54 -17.678 -16.597 -3.789 1.00 32.01 H new ATOM 0 HD3 PRO A 54 -18.731 -16.215 -5.136 1.00 32.01 H new ATOM 835 N GLU A 55 -16.190 -13.575 -2.500 1.00 74.24 N ATOM 836 CA GLU A 55 -15.278 -13.114 -1.461 1.00 23.53 C ATOM 837 C GLU A 55 -13.842 -13.073 -1.976 1.00 51.33 C ATOM 838 O GLU A 55 -13.031 -12.269 -1.518 1.00 41.11 O ATOM 839 CB GLU A 55 -15.365 -14.026 -0.235 1.00 5.35 C ATOM 840 CG GLU A 55 -16.787 -14.276 0.238 1.00 23.03 C ATOM 841 CD GLU A 55 -16.846 -15.170 1.462 1.00 62.13 C ATOM 842 OE1 GLU A 55 -16.304 -14.771 2.514 1.00 62.31 O ATOM 843 OE2 GLU A 55 -17.433 -16.268 1.367 1.00 14.22 O ATOM 0 H GLU A 55 -16.645 -14.465 -2.298 1.00 74.24 H new ATOM 0 HA GLU A 55 -15.573 -12.104 -1.177 1.00 23.53 H new ATOM 0 HB2 GLU A 55 -14.896 -14.982 -0.469 1.00 5.35 H new ATOM 0 HB3 GLU A 55 -14.793 -13.581 0.579 1.00 5.35 H new ATOM 0 HG2 GLU A 55 -17.263 -13.322 0.466 1.00 23.03 H new ATOM 0 HG3 GLU A 55 -17.359 -14.733 -0.569 1.00 23.03 H new ATOM 850 N GLU A 56 -13.537 -13.945 -2.932 1.00 20.22 N ATOM 851 CA GLU A 56 -12.199 -14.009 -3.508 1.00 52.24 C ATOM 852 C GLU A 56 -11.857 -12.710 -4.233 1.00 62.42 C ATOM 853 O GLU A 56 -10.753 -12.181 -4.095 1.00 61.43 O ATOM 854 CB GLU A 56 -12.092 -15.189 -4.476 1.00 33.40 C ATOM 855 CG GLU A 56 -11.398 -16.403 -3.881 1.00 35.10 C ATOM 856 CD GLU A 56 -9.982 -16.103 -3.430 1.00 13.31 C ATOM 857 OE1 GLU A 56 -9.363 -15.177 -3.994 1.00 61.14 O ATOM 858 OE2 GLU A 56 -9.494 -16.794 -2.512 1.00 3.15 O ATOM 0 H GLU A 56 -14.198 -14.616 -3.324 1.00 20.22 H new ATOM 0 HA GLU A 56 -11.487 -14.150 -2.695 1.00 52.24 H new ATOM 0 HB2 GLU A 56 -13.093 -15.475 -4.799 1.00 33.40 H new ATOM 0 HB3 GLU A 56 -11.549 -14.870 -5.366 1.00 33.40 H new ATOM 0 HG2 GLU A 56 -11.976 -16.767 -3.032 1.00 35.10 H new ATOM 0 HG3 GLU A 56 -11.378 -17.204 -4.620 1.00 35.10 H new ATOM 865 N LEU A 57 -12.810 -12.202 -5.006 1.00 73.31 N ATOM 866 CA LEU A 57 -12.611 -10.966 -5.754 1.00 40.30 C ATOM 867 C LEU A 57 -12.110 -9.852 -4.841 1.00 1.44 C ATOM 868 O LEU A 57 -11.066 -9.251 -5.094 1.00 71.15 O ATOM 869 CB LEU A 57 -13.916 -10.539 -6.429 1.00 64.13 C ATOM 870 CG LEU A 57 -14.431 -11.460 -7.536 1.00 30.13 C ATOM 871 CD1 LEU A 57 -15.932 -11.294 -7.712 1.00 74.11 C ATOM 872 CD2 LEU A 57 -13.704 -11.181 -8.843 1.00 74.24 C ATOM 0 H LEU A 57 -13.729 -12.627 -5.131 1.00 73.31 H new ATOM 0 HA LEU A 57 -11.857 -11.151 -6.519 1.00 40.30 H new ATOM 0 HB2 LEU A 57 -14.688 -10.457 -5.664 1.00 64.13 H new ATOM 0 HB3 LEU A 57 -13.776 -9.543 -6.848 1.00 64.13 H new ATOM 0 HG LEU A 57 -14.232 -12.492 -7.247 1.00 30.13 H new ATOM 0 HD11 LEU A 57 -16.281 -11.957 -8.504 1.00 74.11 H new ATOM 0 HD12 LEU A 57 -16.438 -11.545 -6.780 1.00 74.11 H new ATOM 0 HD13 LEU A 57 -16.155 -10.261 -7.979 1.00 74.11 H new ATOM 0 HD21 LEU A 57 -14.083 -11.845 -9.619 1.00 74.24 H new ATOM 0 HD22 LEU A 57 -13.871 -10.145 -9.138 1.00 74.24 H new ATOM 0 HD23 LEU A 57 -12.636 -11.352 -8.709 1.00 74.24 H new ATOM 884 N GLN A 58 -12.860 -9.583 -3.777 1.00 20.22 N ATOM 885 CA GLN A 58 -12.490 -8.542 -2.825 1.00 74.30 C ATOM 886 C GLN A 58 -11.224 -8.924 -2.066 1.00 1.34 C ATOM 887 O GLN A 58 -10.496 -8.058 -1.581 1.00 63.32 O ATOM 888 CB GLN A 58 -13.634 -8.293 -1.840 1.00 50.33 C ATOM 889 CG GLN A 58 -13.239 -7.426 -0.656 1.00 24.14 C ATOM 890 CD GLN A 58 -12.808 -6.033 -1.070 1.00 10.33 C ATOM 891 OE1 GLN A 58 -11.572 -5.673 -0.743 1.00 25.42 O flip ATOM 892 NE2 GLN A 58 -13.578 -5.287 -1.677 1.00 14.05 N flip ATOM 0 H GLN A 58 -13.727 -10.071 -3.553 1.00 20.22 H new ATOM 0 HA GLN A 58 -12.295 -7.626 -3.383 1.00 74.30 H new ATOM 0 HB2 GLN A 58 -14.460 -7.817 -2.368 1.00 50.33 H new ATOM 0 HB3 GLN A 58 -14.000 -9.251 -1.472 1.00 50.33 H new ATOM 0 HG2 GLN A 58 -14.081 -7.352 0.032 1.00 24.14 H new ATOM 0 HG3 GLN A 58 -12.425 -7.908 -0.113 1.00 24.14 H new ATOM 0 HE21 GLN A 58 -14.519 -5.604 -1.908 1.00 14.05 H new ATOM 0 HE22 GLN A 58 -13.274 -4.352 -1.948 1.00 14.05 H new ATOM 901 N GLU A 59 -10.969 -10.225 -1.966 1.00 3.40 N ATOM 902 CA GLU A 59 -9.790 -10.720 -1.264 1.00 14.51 C ATOM 903 C GLU A 59 -8.511 -10.213 -1.924 1.00 11.03 C ATOM 904 O GLU A 59 -7.658 -9.615 -1.269 1.00 42.33 O ATOM 905 CB GLU A 59 -9.791 -12.249 -1.236 1.00 34.45 C ATOM 906 CG GLU A 59 -8.896 -12.839 -0.159 1.00 44.20 C ATOM 907 CD GLU A 59 -9.277 -14.261 0.203 1.00 63.23 C ATOM 908 OE1 GLU A 59 -10.452 -14.631 0.000 1.00 0.00 O ATOM 909 OE2 GLU A 59 -8.399 -15.005 0.689 1.00 45.44 O ATOM 0 H GLU A 59 -11.562 -10.954 -2.362 1.00 3.40 H new ATOM 0 HA GLU A 59 -9.823 -10.345 -0.241 1.00 14.51 H new ATOM 0 HB2 GLU A 59 -10.811 -12.600 -1.081 1.00 34.45 H new ATOM 0 HB3 GLU A 59 -9.469 -12.622 -2.208 1.00 34.45 H new ATOM 0 HG2 GLU A 59 -7.861 -12.820 -0.501 1.00 44.20 H new ATOM 0 HG3 GLU A 59 -8.948 -12.215 0.733 1.00 44.20 H new ATOM 916 N MET A 60 -8.386 -10.458 -3.224 1.00 21.01 N ATOM 917 CA MET A 60 -7.211 -10.026 -3.973 1.00 34.51 C ATOM 918 C MET A 60 -7.175 -8.507 -4.098 1.00 5.30 C ATOM 919 O MET A 60 -6.108 -7.915 -4.267 1.00 53.54 O ATOM 920 CB MET A 60 -7.204 -10.665 -5.363 1.00 41.43 C ATOM 921 CG MET A 60 -6.547 -12.035 -5.400 1.00 31.05 C ATOM 922 SD MET A 60 -6.708 -12.840 -7.005 1.00 32.33 S ATOM 923 CE MET A 60 -5.746 -14.327 -6.736 1.00 5.40 C ATOM 0 H MET A 60 -9.083 -10.953 -3.781 1.00 21.01 H new ATOM 0 HA MET A 60 -6.324 -10.349 -3.428 1.00 34.51 H new ATOM 0 HB2 MET A 60 -8.231 -10.754 -5.718 1.00 41.43 H new ATOM 0 HB3 MET A 60 -6.684 -10.003 -6.055 1.00 41.43 H new ATOM 0 HG2 MET A 60 -5.490 -11.933 -5.153 1.00 31.05 H new ATOM 0 HG3 MET A 60 -6.994 -12.669 -4.634 1.00 31.05 H new ATOM 0 HE1 MET A 60 -5.750 -14.932 -7.643 1.00 5.40 H new ATOM 0 HE2 MET A 60 -4.720 -14.056 -6.485 1.00 5.40 H new ATOM 0 HE3 MET A 60 -6.181 -14.899 -5.916 1.00 5.40 H new ATOM 933 N ILE A 61 -8.344 -7.882 -4.014 1.00 32.12 N ATOM 934 CA ILE A 61 -8.444 -6.432 -4.117 1.00 12.51 C ATOM 935 C ILE A 61 -8.101 -5.761 -2.791 1.00 31.31 C ATOM 936 O ILE A 61 -7.715 -4.593 -2.756 1.00 3.22 O ATOM 937 CB ILE A 61 -9.856 -5.994 -4.550 1.00 42.12 C ATOM 938 CG1 ILE A 61 -10.120 -6.409 -5.999 1.00 20.30 C ATOM 939 CG2 ILE A 61 -10.018 -4.490 -4.387 1.00 23.03 C ATOM 940 CD1 ILE A 61 -11.506 -6.051 -6.487 1.00 72.30 C ATOM 0 H ILE A 61 -9.236 -8.357 -3.875 1.00 32.12 H new ATOM 0 HA ILE A 61 -7.726 -6.120 -4.876 1.00 12.51 H new ATOM 0 HB ILE A 61 -10.586 -6.490 -3.910 1.00 42.12 H new ATOM 0 HG12 ILE A 61 -9.382 -5.933 -6.645 1.00 20.30 H new ATOM 0 HG13 ILE A 61 -9.978 -7.486 -6.092 1.00 20.30 H new ATOM 0 HG21 ILE A 61 -11.021 -4.196 -4.697 1.00 23.03 H new ATOM 0 HG22 ILE A 61 -9.867 -4.219 -3.342 1.00 23.03 H new ATOM 0 HG23 ILE A 61 -9.282 -3.976 -5.005 1.00 23.03 H new ATOM 0 HD11 ILE A 61 -11.623 -6.375 -7.521 1.00 72.30 H new ATOM 0 HD12 ILE A 61 -12.250 -6.548 -5.865 1.00 72.30 H new ATOM 0 HD13 ILE A 61 -11.645 -4.972 -6.427 1.00 72.30 H new ATOM 952 N ASP A 62 -8.243 -6.509 -1.702 1.00 71.12 N ATOM 953 CA ASP A 62 -7.945 -5.989 -0.373 1.00 13.31 C ATOM 954 C ASP A 62 -6.440 -5.848 -0.169 1.00 51.41 C ATOM 955 O ASP A 62 -5.976 -4.895 0.457 1.00 60.40 O ATOM 956 CB ASP A 62 -8.534 -6.905 0.701 1.00 71.23 C ATOM 957 CG ASP A 62 -8.829 -6.169 1.993 1.00 44.13 C ATOM 958 OD1 ASP A 62 -9.119 -4.956 1.931 1.00 73.21 O ATOM 959 OD2 ASP A 62 -8.767 -6.805 3.066 1.00 74.11 O ATOM 0 H ASP A 62 -8.563 -7.478 -1.714 1.00 71.12 H new ATOM 0 HA ASP A 62 -8.399 -5.002 -0.286 1.00 13.31 H new ATOM 0 HB2 ASP A 62 -9.453 -7.356 0.326 1.00 71.23 H new ATOM 0 HB3 ASP A 62 -7.838 -7.719 0.901 1.00 71.23 H new ATOM 964 N GLU A 63 -5.684 -6.803 -0.701 1.00 42.44 N ATOM 965 CA GLU A 63 -4.231 -6.785 -0.576 1.00 12.25 C ATOM 966 C GLU A 63 -3.623 -5.687 -1.444 1.00 13.35 C ATOM 967 O GLU A 63 -2.625 -5.068 -1.073 1.00 74.13 O ATOM 968 CB GLU A 63 -3.646 -8.143 -0.968 1.00 73.04 C ATOM 969 CG GLU A 63 -2.948 -8.859 0.176 1.00 41.15 C ATOM 970 CD GLU A 63 -2.184 -10.085 -0.284 1.00 23.43 C ATOM 971 OE1 GLU A 63 -2.445 -10.560 -1.409 1.00 55.20 O ATOM 972 OE2 GLU A 63 -1.325 -10.571 0.482 1.00 42.05 O ATOM 0 H GLU A 63 -6.053 -7.598 -1.222 1.00 42.44 H new ATOM 0 HA GLU A 63 -3.985 -6.579 0.466 1.00 12.25 H new ATOM 0 HB2 GLU A 63 -4.446 -8.778 -1.348 1.00 73.04 H new ATOM 0 HB3 GLU A 63 -2.937 -8.002 -1.784 1.00 73.04 H new ATOM 0 HG2 GLU A 63 -2.260 -8.169 0.666 1.00 41.15 H new ATOM 0 HG3 GLU A 63 -3.688 -9.154 0.920 1.00 41.15 H new ATOM 979 N VAL A 64 -4.232 -5.450 -2.601 1.00 73.53 N ATOM 980 CA VAL A 64 -3.753 -4.427 -3.523 1.00 24.34 C ATOM 981 C VAL A 64 -4.242 -3.044 -3.110 1.00 53.44 C ATOM 982 O VAL A 64 -3.542 -2.047 -3.289 1.00 64.22 O ATOM 983 CB VAL A 64 -4.209 -4.713 -4.966 1.00 14.34 C ATOM 984 CG1 VAL A 64 -3.732 -6.085 -5.415 1.00 43.15 C ATOM 985 CG2 VAL A 64 -5.723 -4.603 -5.077 1.00 24.05 C ATOM 0 H VAL A 64 -5.059 -5.953 -2.923 1.00 73.53 H new ATOM 0 HA VAL A 64 -2.664 -4.450 -3.484 1.00 24.34 H new ATOM 0 HB VAL A 64 -3.764 -3.967 -5.624 1.00 14.34 H new ATOM 0 HG11 VAL A 64 -4.064 -6.269 -6.437 1.00 43.15 H new ATOM 0 HG12 VAL A 64 -2.643 -6.123 -5.375 1.00 43.15 H new ATOM 0 HG13 VAL A 64 -4.146 -6.848 -4.756 1.00 43.15 H new ATOM 0 HG21 VAL A 64 -6.028 -4.808 -6.103 1.00 24.05 H new ATOM 0 HG22 VAL A 64 -6.190 -5.326 -4.408 1.00 24.05 H new ATOM 0 HG23 VAL A 64 -6.036 -3.596 -4.800 1.00 24.05 H new ATOM 995 N ASP A 65 -5.449 -2.990 -2.558 1.00 10.33 N ATOM 996 CA ASP A 65 -6.033 -1.728 -2.118 1.00 41.30 C ATOM 997 C ASP A 65 -5.331 -1.211 -0.866 1.00 31.31 C ATOM 998 O ASP A 65 -5.849 -1.336 0.243 1.00 15.11 O ATOM 999 CB ASP A 65 -7.528 -1.901 -1.845 1.00 41.42 C ATOM 1000 CG ASP A 65 -8.217 -0.584 -1.544 1.00 75.43 C ATOM 1001 OD1 ASP A 65 -7.596 0.476 -1.767 1.00 71.12 O ATOM 1002 OD2 ASP A 65 -9.379 -0.615 -1.087 1.00 2.44 O ATOM 0 H ASP A 65 -6.042 -3.805 -2.404 1.00 10.33 H new ATOM 0 HA ASP A 65 -5.899 -0.997 -2.915 1.00 41.30 H new ATOM 0 HB2 ASP A 65 -8.001 -2.366 -2.710 1.00 41.42 H new ATOM 0 HB3 ASP A 65 -7.665 -2.580 -1.003 1.00 41.42 H new ATOM 1007 N GLU A 66 -4.149 -0.632 -1.052 1.00 61.43 N ATOM 1008 CA GLU A 66 -3.376 -0.099 0.063 1.00 22.43 C ATOM 1009 C GLU A 66 -4.061 1.124 0.665 1.00 35.22 C ATOM 1010 O GLU A 66 -3.796 1.498 1.807 1.00 3.44 O ATOM 1011 CB GLU A 66 -1.963 0.268 -0.396 1.00 13.51 C ATOM 1012 CG GLU A 66 -1.930 1.384 -1.427 1.00 4.33 C ATOM 1013 CD GLU A 66 -1.994 2.762 -0.797 1.00 42.31 C ATOM 1014 OE1 GLU A 66 -1.391 2.950 0.280 1.00 2.24 O ATOM 1015 OE2 GLU A 66 -2.647 3.652 -1.381 1.00 3.20 O ATOM 0 H GLU A 66 -3.706 -0.520 -1.964 1.00 61.43 H new ATOM 0 HA GLU A 66 -3.312 -0.872 0.829 1.00 22.43 H new ATOM 0 HB2 GLU A 66 -1.375 0.568 0.471 1.00 13.51 H new ATOM 0 HB3 GLU A 66 -1.485 -0.617 -0.815 1.00 13.51 H new ATOM 0 HG2 GLU A 66 -1.018 1.301 -2.018 1.00 4.33 H new ATOM 0 HG3 GLU A 66 -2.767 1.264 -2.114 1.00 4.33 H new ATOM 1022 N ASP A 67 -4.944 1.742 -0.112 1.00 30.12 N ATOM 1023 CA ASP A 67 -5.669 2.923 0.344 1.00 61.45 C ATOM 1024 C ASP A 67 -7.007 2.533 0.965 1.00 64.02 C ATOM 1025 O ASP A 67 -7.705 3.370 1.535 1.00 52.05 O ATOM 1026 CB ASP A 67 -5.895 3.889 -0.820 1.00 71.24 C ATOM 1027 CG ASP A 67 -6.393 3.186 -2.068 1.00 32.21 C ATOM 1028 OD1 ASP A 67 -5.602 2.444 -2.686 1.00 43.35 O ATOM 1029 OD2 ASP A 67 -7.574 3.378 -2.426 1.00 72.11 O ATOM 0 H ASP A 67 -5.175 1.445 -1.060 1.00 30.12 H new ATOM 0 HA ASP A 67 -5.066 3.418 1.105 1.00 61.45 H new ATOM 0 HB2 ASP A 67 -6.617 4.649 -0.522 1.00 71.24 H new ATOM 0 HB3 ASP A 67 -4.962 4.406 -1.046 1.00 71.24 H new ATOM 1034 N GLY A 68 -7.357 1.256 0.849 1.00 34.45 N ATOM 1035 CA GLY A 68 -8.611 0.778 1.403 1.00 23.44 C ATOM 1036 C GLY A 68 -9.796 1.612 0.960 1.00 71.10 C ATOM 1037 O GLY A 68 -10.680 1.920 1.759 1.00 54.12 O ATOM 0 H GLY A 68 -6.795 0.544 0.382 1.00 34.45 H new ATOM 0 HA2 GLY A 68 -8.767 -0.258 1.101 1.00 23.44 H new ATOM 0 HA3 GLY A 68 -8.551 0.787 2.491 1.00 23.44 H new ATOM 1041 N SER A 69 -9.814 1.980 -0.317 1.00 72.11 N ATOM 1042 CA SER A 69 -10.897 2.788 -0.864 1.00 53.54 C ATOM 1043 C SER A 69 -12.144 1.941 -1.097 1.00 32.31 C ATOM 1044 O SER A 69 -13.259 2.458 -1.151 1.00 70.13 O ATOM 1045 CB SER A 69 -10.460 3.444 -2.176 1.00 34.20 C ATOM 1046 OG SER A 69 -9.957 2.480 -3.085 1.00 21.04 O ATOM 0 H SER A 69 -9.091 1.731 -0.992 1.00 72.11 H new ATOM 0 HA SER A 69 -11.138 3.566 -0.139 1.00 53.54 H new ATOM 0 HB2 SER A 69 -11.305 3.965 -2.625 1.00 34.20 H new ATOM 0 HB3 SER A 69 -9.694 4.193 -1.974 1.00 34.20 H new ATOM 1052 N GLY A 70 -11.946 0.633 -1.234 1.00 31.12 N ATOM 1053 CA GLY A 70 -13.062 -0.267 -1.459 1.00 52.22 C ATOM 1054 C GLY A 70 -13.153 -0.728 -2.900 1.00 54.34 C ATOM 1055 O GLY A 70 -13.978 -1.578 -3.238 1.00 13.40 O ATOM 0 H GLY A 70 -11.033 0.181 -1.193 1.00 31.12 H new ATOM 0 HA2 GLY A 70 -12.961 -1.136 -0.808 1.00 52.22 H new ATOM 0 HA3 GLY A 70 -13.990 0.233 -1.181 1.00 52.22 H new ATOM 1059 N THR A 71 -12.305 -0.165 -3.755 1.00 44.00 N ATOM 1060 CA THR A 71 -12.295 -0.521 -5.168 1.00 43.23 C ATOM 1061 C THR A 71 -10.880 -0.487 -5.734 1.00 5.41 C ATOM 1062 O THR A 71 -9.938 -0.081 -5.053 1.00 4.20 O ATOM 1063 CB THR A 71 -13.188 0.426 -5.992 1.00 44.03 C ATOM 1064 OG1 THR A 71 -12.674 1.761 -5.930 1.00 40.25 O ATOM 1065 CG2 THR A 71 -14.619 0.404 -5.478 1.00 72.42 C ATOM 0 H THR A 71 -11.616 0.540 -3.493 1.00 44.00 H new ATOM 0 HA THR A 71 -12.688 -1.535 -5.241 1.00 43.23 H new ATOM 0 HB THR A 71 -13.185 0.084 -7.027 1.00 44.03 H new ATOM 0 HG1 THR A 71 -13.413 2.400 -6.011 1.00 40.25 H new ATOM 0 HG21 THR A 71 -15.231 1.080 -6.075 1.00 72.42 H new ATOM 0 HG22 THR A 71 -15.017 -0.608 -5.554 1.00 72.42 H new ATOM 0 HG23 THR A 71 -14.636 0.724 -4.436 1.00 72.42 H new ATOM 1073 N VAL A 72 -10.736 -0.915 -6.984 1.00 53.22 N ATOM 1074 CA VAL A 72 -9.435 -0.931 -7.642 1.00 74.43 C ATOM 1075 C VAL A 72 -9.308 0.218 -8.636 1.00 64.41 C ATOM 1076 O VAL A 72 -10.085 0.320 -9.585 1.00 42.34 O ATOM 1077 CB VAL A 72 -9.196 -2.262 -8.380 1.00 34.43 C ATOM 1078 CG1 VAL A 72 -8.133 -2.094 -9.454 1.00 23.41 C ATOM 1079 CG2 VAL A 72 -8.804 -3.353 -7.395 1.00 61.50 C ATOM 0 H VAL A 72 -11.505 -1.255 -7.562 1.00 53.22 H new ATOM 0 HA VAL A 72 -8.684 -0.817 -6.861 1.00 74.43 H new ATOM 0 HB VAL A 72 -10.125 -2.560 -8.867 1.00 34.43 H new ATOM 0 HG11 VAL A 72 -7.978 -3.045 -9.964 1.00 23.41 H new ATOM 0 HG12 VAL A 72 -8.459 -1.344 -10.175 1.00 23.41 H new ATOM 0 HG13 VAL A 72 -7.199 -1.773 -8.994 1.00 23.41 H new ATOM 0 HG21 VAL A 72 -8.639 -4.287 -7.933 1.00 61.50 H new ATOM 0 HG22 VAL A 72 -7.888 -3.065 -6.878 1.00 61.50 H new ATOM 0 HG23 VAL A 72 -9.603 -3.490 -6.667 1.00 61.50 H new ATOM 1089 N ASP A 73 -8.322 1.079 -8.412 1.00 0.53 N ATOM 1090 CA ASP A 73 -8.090 2.222 -9.289 1.00 35.55 C ATOM 1091 C ASP A 73 -7.000 1.911 -10.309 1.00 72.23 C ATOM 1092 O ASP A 73 -6.555 0.769 -10.429 1.00 45.30 O ATOM 1093 CB ASP A 73 -7.702 3.452 -8.467 1.00 63.21 C ATOM 1094 CG ASP A 73 -6.225 3.476 -8.124 1.00 51.14 C ATOM 1095 OD1 ASP A 73 -5.749 2.516 -7.484 1.00 33.23 O ATOM 1096 OD2 ASP A 73 -5.545 4.456 -8.496 1.00 74.22 O ATOM 0 H ASP A 73 -7.670 1.008 -7.631 1.00 0.53 H new ATOM 0 HA ASP A 73 -9.015 2.431 -9.826 1.00 35.55 H new ATOM 0 HB2 ASP A 73 -7.957 4.353 -9.024 1.00 63.21 H new ATOM 0 HB3 ASP A 73 -8.286 3.470 -7.547 1.00 63.21 H new ATOM 1101 N PHE A 74 -6.576 2.934 -11.044 1.00 24.52 N ATOM 1102 CA PHE A 74 -5.539 2.769 -12.056 1.00 41.42 C ATOM 1103 C PHE A 74 -4.259 2.215 -11.439 1.00 23.44 C ATOM 1104 O PHE A 74 -3.625 1.319 -11.997 1.00 43.11 O ATOM 1105 CB PHE A 74 -5.250 4.106 -12.742 1.00 41.31 C ATOM 1106 CG PHE A 74 -4.108 4.046 -13.716 1.00 22.13 C ATOM 1107 CD1 PHE A 74 -3.839 2.882 -14.418 1.00 15.10 C ATOM 1108 CD2 PHE A 74 -3.302 5.153 -13.928 1.00 51.01 C ATOM 1109 CE1 PHE A 74 -2.789 2.823 -15.315 1.00 15.30 C ATOM 1110 CE2 PHE A 74 -2.251 5.100 -14.824 1.00 51.30 C ATOM 1111 CZ PHE A 74 -1.994 3.934 -15.517 1.00 64.34 C ATOM 0 H PHE A 74 -6.934 3.885 -10.958 1.00 24.52 H new ATOM 0 HA PHE A 74 -5.901 2.057 -12.798 1.00 41.42 H new ATOM 0 HB2 PHE A 74 -6.147 4.438 -13.266 1.00 41.31 H new ATOM 0 HB3 PHE A 74 -5.029 4.855 -11.982 1.00 41.31 H new ATOM 0 HD1 PHE A 74 -4.457 2.010 -14.262 1.00 15.10 H new ATOM 0 HD2 PHE A 74 -3.497 6.067 -13.387 1.00 51.01 H new ATOM 0 HE1 PHE A 74 -2.591 1.910 -15.857 1.00 15.30 H new ATOM 0 HE2 PHE A 74 -1.631 5.970 -14.982 1.00 51.30 H new ATOM 0 HZ PHE A 74 -1.172 3.891 -16.216 1.00 64.34 H new ATOM 1121 N ASP A 75 -3.885 2.753 -10.283 1.00 44.44 N ATOM 1122 CA ASP A 75 -2.680 2.313 -9.589 1.00 35.04 C ATOM 1123 C ASP A 75 -2.827 0.873 -9.107 1.00 60.10 C ATOM 1124 O ASP A 75 -2.046 0.000 -9.484 1.00 5.41 O ATOM 1125 CB ASP A 75 -2.385 3.233 -8.403 1.00 22.20 C ATOM 1126 CG ASP A 75 -0.980 3.048 -7.863 1.00 52.12 C ATOM 1127 OD1 ASP A 75 -0.785 2.157 -7.010 1.00 51.34 O ATOM 1128 OD2 ASP A 75 -0.076 3.795 -8.293 1.00 10.11 O ATOM 0 H ASP A 75 -4.399 3.494 -9.807 1.00 44.44 H new ATOM 0 HA ASP A 75 -1.848 2.360 -10.291 1.00 35.04 H new ATOM 0 HB2 ASP A 75 -2.520 4.270 -8.709 1.00 22.20 H new ATOM 0 HB3 ASP A 75 -3.105 3.039 -7.608 1.00 22.20 H new ATOM 1133 N GLU A 76 -3.833 0.633 -8.271 1.00 43.13 N ATOM 1134 CA GLU A 76 -4.079 -0.701 -7.737 1.00 75.11 C ATOM 1135 C GLU A 76 -4.246 -1.716 -8.864 1.00 64.33 C ATOM 1136 O GLU A 76 -3.805 -2.860 -8.753 1.00 34.52 O ATOM 1137 CB GLU A 76 -5.327 -0.697 -6.851 1.00 72.25 C ATOM 1138 CG GLU A 76 -5.195 0.180 -5.618 1.00 30.55 C ATOM 1139 CD GLU A 76 -6.537 0.635 -5.079 1.00 54.54 C ATOM 1140 OE1 GLU A 76 -7.330 -0.229 -4.650 1.00 4.33 O ATOM 1141 OE2 GLU A 76 -6.795 1.858 -5.088 1.00 31.51 O ATOM 0 H GLU A 76 -4.490 1.344 -7.950 1.00 43.13 H new ATOM 0 HA GLU A 76 -3.216 -0.989 -7.137 1.00 75.11 H new ATOM 0 HB2 GLU A 76 -6.179 -0.356 -7.439 1.00 72.25 H new ATOM 0 HB3 GLU A 76 -5.544 -1.719 -6.538 1.00 72.25 H new ATOM 0 HG2 GLU A 76 -4.663 -0.369 -4.841 1.00 30.55 H new ATOM 0 HG3 GLU A 76 -4.590 1.054 -5.861 1.00 30.55 H new ATOM 1148 N TRP A 77 -4.884 -1.289 -9.948 1.00 4.13 N ATOM 1149 CA TRP A 77 -5.109 -2.160 -11.095 1.00 62.44 C ATOM 1150 C TRP A 77 -3.794 -2.497 -11.789 1.00 63.34 C ATOM 1151 O TRP A 77 -3.565 -3.641 -12.186 1.00 4.21 O ATOM 1152 CB TRP A 77 -6.067 -1.496 -12.086 1.00 22.32 C ATOM 1153 CG TRP A 77 -6.473 -2.396 -13.213 1.00 73.23 C ATOM 1154 CD1 TRP A 77 -7.642 -3.093 -13.325 1.00 75.02 C ATOM 1155 CD2 TRP A 77 -5.711 -2.697 -14.387 1.00 64.21 C ATOM 1156 NE1 TRP A 77 -7.653 -3.809 -14.498 1.00 24.22 N ATOM 1157 CE2 TRP A 77 -6.479 -3.583 -15.168 1.00 14.24 C ATOM 1158 CE3 TRP A 77 -4.454 -2.303 -14.856 1.00 34.43 C ATOM 1159 CZ2 TRP A 77 -6.031 -4.080 -16.388 1.00 43.12 C ATOM 1160 CZ3 TRP A 77 -4.010 -2.798 -16.067 1.00 74.02 C ATOM 1161 CH2 TRP A 77 -4.797 -3.678 -16.823 1.00 1.23 C ATOM 0 H TRP A 77 -5.254 -0.345 -10.056 1.00 4.13 H new ATOM 0 HA TRP A 77 -5.556 -3.086 -10.734 1.00 62.44 H new ATOM 0 HB2 TRP A 77 -6.959 -1.168 -11.553 1.00 22.32 H new ATOM 0 HB3 TRP A 77 -5.594 -0.604 -12.496 1.00 22.32 H new ATOM 0 HD1 TRP A 77 -8.441 -3.083 -12.598 1.00 75.02 H new ATOM 0 HE1 TRP A 77 -8.412 -4.411 -14.818 1.00 24.22 H new ATOM 0 HE3 TRP A 77 -3.841 -1.624 -14.282 1.00 34.43 H new ATOM 0 HZ2 TRP A 77 -6.636 -4.759 -16.971 1.00 43.12 H new ATOM 0 HZ3 TRP A 77 -3.040 -2.502 -16.438 1.00 74.02 H new ATOM 0 HH2 TRP A 77 -4.422 -4.046 -17.767 1.00 1.23 H new ATOM 1172 N LEU A 78 -2.932 -1.496 -11.933 1.00 74.33 N ATOM 1173 CA LEU A 78 -1.639 -1.687 -12.580 1.00 24.22 C ATOM 1174 C LEU A 78 -0.743 -2.599 -11.747 1.00 72.34 C ATOM 1175 O LEU A 78 -0.183 -3.570 -12.257 1.00 32.22 O ATOM 1176 CB LEU A 78 -0.951 -0.338 -12.797 1.00 22.23 C ATOM 1177 CG LEU A 78 -0.117 -0.207 -14.072 1.00 22.44 C ATOM 1178 CD1 LEU A 78 0.457 1.196 -14.192 1.00 62.34 C ATOM 1179 CD2 LEU A 78 0.997 -1.244 -14.089 1.00 73.42 C ATOM 0 H LEU A 78 -3.105 -0.544 -11.610 1.00 74.33 H new ATOM 0 HA LEU A 78 -1.810 -2.160 -13.547 1.00 24.22 H new ATOM 0 HB2 LEU A 78 -1.715 0.440 -12.805 1.00 22.23 H new ATOM 0 HB3 LEU A 78 -0.304 -0.141 -11.942 1.00 22.23 H new ATOM 0 HG LEU A 78 -0.767 -0.386 -14.929 1.00 22.44 H new ATOM 0 HD11 LEU A 78 1.048 1.271 -15.105 1.00 62.34 H new ATOM 0 HD12 LEU A 78 -0.357 1.920 -14.226 1.00 62.34 H new ATOM 0 HD13 LEU A 78 1.092 1.404 -13.331 1.00 62.34 H new ATOM 0 HD21 LEU A 78 1.580 -1.136 -15.003 1.00 73.42 H new ATOM 0 HD22 LEU A 78 1.645 -1.096 -13.225 1.00 73.42 H new ATOM 0 HD23 LEU A 78 0.564 -2.244 -14.050 1.00 73.42 H new ATOM 1191 N VAL A 79 -0.614 -2.282 -10.463 1.00 52.21 N ATOM 1192 CA VAL A 79 0.210 -3.074 -9.559 1.00 23.33 C ATOM 1193 C VAL A 79 -0.324 -4.497 -9.432 1.00 44.35 C ATOM 1194 O VAL A 79 0.441 -5.444 -9.252 1.00 2.33 O ATOM 1195 CB VAL A 79 0.279 -2.437 -8.158 1.00 72.20 C ATOM 1196 CG1 VAL A 79 0.854 -1.031 -8.238 1.00 61.52 C ATOM 1197 CG2 VAL A 79 -1.098 -2.423 -7.512 1.00 13.41 C ATOM 0 H VAL A 79 -1.070 -1.481 -10.025 1.00 52.21 H new ATOM 0 HA VAL A 79 1.212 -3.102 -9.987 1.00 23.33 H new ATOM 0 HB VAL A 79 0.941 -3.039 -7.536 1.00 72.20 H new ATOM 0 HG11 VAL A 79 0.895 -0.597 -7.239 1.00 61.52 H new ATOM 0 HG12 VAL A 79 1.859 -1.072 -8.657 1.00 61.52 H new ATOM 0 HG13 VAL A 79 0.220 -0.414 -8.875 1.00 61.52 H new ATOM 0 HG21 VAL A 79 -1.031 -1.970 -6.523 1.00 13.41 H new ATOM 0 HG22 VAL A 79 -1.784 -1.845 -8.131 1.00 13.41 H new ATOM 0 HG23 VAL A 79 -1.467 -3.445 -7.419 1.00 13.41 H new ATOM 1207 N MET A 80 -1.641 -4.639 -9.530 1.00 14.04 N ATOM 1208 CA MET A 80 -2.278 -5.947 -9.428 1.00 21.11 C ATOM 1209 C MET A 80 -1.647 -6.936 -10.403 1.00 50.11 C ATOM 1210 O MET A 80 -1.333 -8.068 -10.037 1.00 73.20 O ATOM 1211 CB MET A 80 -3.779 -5.830 -9.701 1.00 63.43 C ATOM 1212 CG MET A 80 -4.470 -7.172 -9.879 1.00 71.34 C ATOM 1213 SD MET A 80 -6.268 -7.039 -9.834 1.00 3.03 S ATOM 1214 CE MET A 80 -6.519 -5.528 -10.763 1.00 22.42 C ATOM 0 H MET A 80 -2.288 -3.865 -9.680 1.00 14.04 H new ATOM 0 HA MET A 80 -2.129 -6.318 -8.414 1.00 21.11 H new ATOM 0 HB2 MET A 80 -4.249 -5.295 -8.876 1.00 63.43 H new ATOM 0 HB3 MET A 80 -3.931 -5.230 -10.598 1.00 63.43 H new ATOM 0 HG2 MET A 80 -4.166 -7.610 -10.830 1.00 71.34 H new ATOM 0 HG3 MET A 80 -4.140 -7.853 -9.094 1.00 71.34 H new ATOM 0 HE1 MET A 80 -7.535 -5.508 -11.158 1.00 22.42 H new ATOM 0 HE2 MET A 80 -6.367 -4.669 -10.109 1.00 22.42 H new ATOM 0 HE3 MET A 80 -5.808 -5.486 -11.588 1.00 22.42 H new ATOM 1224 N MET A 81 -1.464 -6.500 -11.645 1.00 74.34 N ATOM 1225 CA MET A 81 -0.870 -7.348 -12.672 1.00 61.04 C ATOM 1226 C MET A 81 0.595 -7.637 -12.358 1.00 53.54 C ATOM 1227 O MET A 81 1.108 -8.708 -12.678 1.00 62.14 O ATOM 1228 CB MET A 81 -0.988 -6.682 -14.045 1.00 21.23 C ATOM 1229 CG MET A 81 -0.709 -7.625 -15.204 1.00 22.23 C ATOM 1230 SD MET A 81 -1.167 -6.920 -16.799 1.00 30.13 S ATOM 1231 CE MET A 81 -2.922 -6.652 -16.559 1.00 23.02 C ATOM 0 H MET A 81 -1.718 -5.565 -11.964 1.00 74.34 H new ATOM 0 HA MET A 81 -1.413 -8.293 -12.687 1.00 61.04 H new ATOM 0 HB2 MET A 81 -1.991 -6.271 -14.155 1.00 21.23 H new ATOM 0 HB3 MET A 81 -0.293 -5.844 -14.094 1.00 21.23 H new ATOM 0 HG2 MET A 81 0.351 -7.878 -15.214 1.00 22.23 H new ATOM 0 HG3 MET A 81 -1.257 -8.555 -15.051 1.00 22.23 H new ATOM 0 HE1 MET A 81 -3.410 -6.546 -17.528 1.00 23.02 H new ATOM 0 HE2 MET A 81 -3.351 -7.502 -16.028 1.00 23.02 H new ATOM 0 HE3 MET A 81 -3.075 -5.745 -15.974 1.00 23.02 H new ATOM 1241 N ALA A 82 1.262 -6.673 -11.731 1.00 34.41 N ATOM 1242 CA ALA A 82 2.666 -6.825 -11.373 1.00 23.33 C ATOM 1243 C ALA A 82 2.889 -8.089 -10.549 1.00 63.33 C ATOM 1244 O ALA A 82 3.982 -8.656 -10.548 1.00 61.14 O ATOM 1245 CB ALA A 82 3.151 -5.603 -10.608 1.00 43.41 C ATOM 0 H ALA A 82 0.852 -5.779 -11.461 1.00 34.41 H new ATOM 0 HA ALA A 82 3.242 -6.916 -12.294 1.00 23.33 H new ATOM 0 HB1 ALA A 82 4.202 -5.730 -10.347 1.00 43.41 H new ATOM 0 HB2 ALA A 82 3.037 -4.715 -11.230 1.00 43.41 H new ATOM 0 HB3 ALA A 82 2.563 -5.486 -9.698 1.00 43.41 H new ATOM 1251 N ARG A 83 1.847 -8.525 -9.849 1.00 62.31 N ATOM 1252 CA ARG A 83 1.930 -9.721 -9.020 1.00 25.51 C ATOM 1253 C ARG A 83 2.210 -10.956 -9.872 1.00 42.34 C ATOM 1254 O ARG A 83 2.754 -11.948 -9.386 1.00 41.02 O ATOM 1255 CB ARG A 83 0.632 -9.915 -8.234 1.00 41.33 C ATOM 1256 CG ARG A 83 0.846 -10.444 -6.826 1.00 13.15 C ATOM 1257 CD ARG A 83 0.137 -9.581 -5.793 1.00 30.40 C ATOM 1258 NE ARG A 83 0.827 -9.591 -4.506 1.00 15.24 N ATOM 1259 CZ ARG A 83 0.465 -8.839 -3.472 1.00 55.54 C ATOM 1260 NH1 ARG A 83 -0.575 -8.021 -3.575 1.00 24.40 N ATOM 1261 NH2 ARG A 83 1.142 -8.903 -2.333 1.00 62.14 N ATOM 0 H ARG A 83 0.935 -8.068 -9.840 1.00 62.31 H new ATOM 0 HA ARG A 83 2.755 -9.589 -8.320 1.00 25.51 H new ATOM 0 HB2 ARG A 83 0.105 -8.963 -8.179 1.00 41.33 H new ATOM 0 HB3 ARG A 83 -0.013 -10.605 -8.778 1.00 41.33 H new ATOM 0 HG2 ARG A 83 0.478 -11.468 -6.761 1.00 13.15 H new ATOM 0 HG3 ARG A 83 1.913 -10.474 -6.606 1.00 13.15 H new ATOM 0 HD2 ARG A 83 0.070 -8.557 -6.161 1.00 30.40 H new ATOM 0 HD3 ARG A 83 -0.884 -9.939 -5.660 1.00 30.40 H new ATOM 0 HE ARG A 83 1.631 -10.209 -4.395 1.00 15.24 H new ATOM 0 HH11 ARG A 83 -1.098 -7.969 -4.449 1.00 24.40 H new ATOM 0 HH12 ARG A 83 -0.851 -7.445 -2.780 1.00 24.40 H new ATOM 0 HH21 ARG A 83 1.942 -9.530 -2.250 1.00 62.14 H new ATOM 0 HH22 ARG A 83 0.863 -8.325 -1.540 1.00 62.14 H new ATOM 1275 N CYS A 84 1.835 -10.887 -11.145 1.00 15.23 N ATOM 1276 CA CYS A 84 2.044 -11.999 -12.065 1.00 35.01 C ATOM 1277 C CYS A 84 3.526 -12.174 -12.379 1.00 12.12 C ATOM 1278 O CYS A 84 3.945 -13.216 -12.882 1.00 50.31 O ATOM 1279 CB CYS A 84 1.259 -11.772 -13.358 1.00 62.41 C ATOM 1280 SG CYS A 84 1.211 -13.210 -14.454 1.00 44.20 S ATOM 0 H CYS A 84 1.385 -10.073 -11.563 1.00 15.23 H new ATOM 0 HA CYS A 84 1.684 -12.909 -11.585 1.00 35.01 H new ATOM 0 HB2 CYS A 84 0.238 -11.487 -13.105 1.00 62.41 H new ATOM 0 HB3 CYS A 84 1.700 -10.933 -13.896 1.00 62.41 H new ATOM 0 HG CYS A 84 2.321 -13.878 -14.342 1.00 44.20 H new ATOM 1286 N MET A 85 4.314 -11.147 -12.079 1.00 51.53 N ATOM 1287 CA MET A 85 5.750 -11.187 -12.330 1.00 51.13 C ATOM 1288 C MET A 85 6.457 -12.064 -11.302 1.00 60.32 C ATOM 1289 O MET A 85 7.487 -12.672 -11.593 1.00 62.53 O ATOM 1290 CB MET A 85 6.334 -9.773 -12.300 1.00 64.40 C ATOM 1291 CG MET A 85 5.895 -8.909 -13.470 1.00 51.25 C ATOM 1292 SD MET A 85 7.160 -7.726 -13.974 1.00 73.40 S ATOM 1293 CE MET A 85 7.196 -8.003 -15.743 1.00 41.43 C ATOM 0 H MET A 85 3.983 -10.277 -11.662 1.00 51.53 H new ATOM 0 HA MET A 85 5.909 -11.617 -13.319 1.00 51.13 H new ATOM 0 HB2 MET A 85 6.040 -9.287 -11.370 1.00 64.40 H new ATOM 0 HB3 MET A 85 7.422 -9.838 -12.295 1.00 64.40 H new ATOM 0 HG2 MET A 85 5.645 -9.550 -14.316 1.00 51.25 H new ATOM 0 HG3 MET A 85 4.987 -8.370 -13.198 1.00 51.25 H new ATOM 0 HE1 MET A 85 7.933 -7.343 -16.200 1.00 41.43 H new ATOM 0 HE2 MET A 85 7.464 -9.040 -15.943 1.00 41.43 H new ATOM 0 HE3 MET A 85 6.212 -7.795 -16.164 1.00 41.43 H new ATOM 1303 N LYS A 86 5.898 -12.125 -10.098 1.00 72.35 N ATOM 1304 CA LYS A 86 6.474 -12.929 -9.027 1.00 14.13 C ATOM 1305 C LYS A 86 6.257 -14.416 -9.285 1.00 72.42 C ATOM 1306 O LYS A 86 6.794 -15.265 -8.573 1.00 1.32 O ATOM 1307 CB LYS A 86 5.857 -12.539 -7.681 1.00 50.04 C ATOM 1308 CG LYS A 86 6.627 -11.452 -6.952 1.00 31.15 C ATOM 1309 CD LYS A 86 6.364 -10.082 -7.554 1.00 33.04 C ATOM 1310 CE LYS A 86 7.348 -9.046 -7.033 1.00 11.11 C ATOM 1311 NZ LYS A 86 7.274 -8.906 -5.552 1.00 51.52 N ATOM 0 H LYS A 86 5.046 -11.627 -9.840 1.00 72.35 H new ATOM 0 HA LYS A 86 7.546 -12.736 -8.999 1.00 14.13 H new ATOM 0 HB2 LYS A 86 4.834 -12.201 -7.844 1.00 50.04 H new ATOM 0 HB3 LYS A 86 5.803 -13.423 -7.046 1.00 50.04 H new ATOM 0 HG2 LYS A 86 6.344 -11.448 -5.899 1.00 31.15 H new ATOM 0 HG3 LYS A 86 7.694 -11.670 -6.994 1.00 31.15 H new ATOM 0 HD2 LYS A 86 6.437 -10.141 -8.640 1.00 33.04 H new ATOM 0 HD3 LYS A 86 5.347 -9.769 -7.319 1.00 33.04 H new ATOM 0 HE2 LYS A 86 8.360 -9.330 -7.321 1.00 11.11 H new ATOM 0 HE3 LYS A 86 7.142 -8.083 -7.500 1.00 11.11 H new ATOM 0 HZ1 LYS A 86 7.508 -7.929 -5.284 1.00 51.52 H new ATOM 0 HZ2 LYS A 86 6.312 -9.132 -5.230 1.00 51.52 H new ATOM 0 HZ3 LYS A 86 7.951 -9.559 -5.107 1.00 51.52 H new ATOM 1325 N ASP A 87 5.468 -14.725 -10.309 1.00 23.54 N ATOM 1326 CA ASP A 87 5.183 -16.111 -10.663 1.00 30.12 C ATOM 1327 C ASP A 87 4.750 -16.907 -9.436 1.00 31.52 C ATOM 1328 O ASP A 87 5.155 -18.056 -9.254 1.00 42.31 O ATOM 1329 CB ASP A 87 6.412 -16.761 -11.300 1.00 5.51 C ATOM 1330 CG ASP A 87 6.050 -17.922 -12.205 1.00 43.51 C ATOM 1331 OD1 ASP A 87 4.897 -17.965 -12.682 1.00 33.10 O ATOM 1332 OD2 ASP A 87 6.921 -18.786 -12.437 1.00 73.13 O ATOM 0 H ASP A 87 5.015 -14.035 -10.908 1.00 23.54 H new ATOM 0 HA ASP A 87 4.365 -16.115 -11.384 1.00 30.12 H new ATOM 0 HB2 ASP A 87 6.958 -16.013 -11.875 1.00 5.51 H new ATOM 0 HB3 ASP A 87 7.082 -17.111 -10.515 1.00 5.51 H new ATOM 1337 N ASP A 88 3.926 -16.290 -8.597 1.00 13.12 N ATOM 1338 CA ASP A 88 3.437 -16.941 -7.387 1.00 5.03 C ATOM 1339 C ASP A 88 2.086 -17.604 -7.634 1.00 21.21 C ATOM 1340 O ASP A 88 1.040 -16.967 -7.516 1.00 12.32 O ATOM 1341 CB ASP A 88 3.321 -15.927 -6.248 1.00 1.32 C ATOM 1342 CG ASP A 88 4.670 -15.554 -5.664 1.00 72.22 C ATOM 1343 OD1 ASP A 88 5.649 -16.284 -5.922 1.00 23.53 O ATOM 1344 OD2 ASP A 88 4.746 -14.533 -4.949 1.00 53.22 O ATOM 0 H ASP A 88 3.582 -15.339 -8.732 1.00 13.12 H new ATOM 0 HA ASP A 88 4.153 -17.713 -7.105 1.00 5.03 H new ATOM 0 HB2 ASP A 88 2.826 -15.028 -6.615 1.00 1.32 H new ATOM 0 HB3 ASP A 88 2.689 -16.340 -5.461 1.00 1.32 H new ATOM 1349 N SER A 89 2.117 -18.888 -7.979 1.00 13.55 N ATOM 1350 CA SER A 89 0.894 -19.636 -8.247 1.00 65.13 C ATOM 1351 C SER A 89 0.135 -19.031 -9.424 1.00 33.30 C ATOM 1352 O SER A 89 -1.066 -19.265 -9.551 1.00 72.50 O ATOM 1353 CB SER A 89 0.001 -19.658 -7.006 1.00 0.24 C ATOM 1354 OG SER A 89 0.769 -19.836 -5.828 1.00 32.20 O ATOM 0 H SER A 89 2.975 -19.431 -8.079 1.00 13.55 H new ATOM 0 HA SER A 89 1.172 -20.659 -8.503 1.00 65.13 H new ATOM 0 HB2 SER A 89 -0.560 -18.725 -6.941 1.00 0.24 H new ATOM 0 HB3 SER A 89 -0.729 -20.463 -7.093 1.00 0.24 H new ATOM 0 HG SER A 89 0.175 -19.845 -5.049 1.00 32.20 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.252 1.481 -3.616 1.00 70.31 CA