USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 180:sc= 0.154 USER MOD Set 1.2: A 400 HEM CMB :methyl -30:sc= -0.0705 (180deg=-0.0447) USER MOD Set 2.1: A 26 THR OG1 : rot 87:sc= 0.0227 USER MOD Set 2.2: A 38 THR OG1 : rot -42:sc= 0.864 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= 2.46 (180deg=-0.615) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.0236 (180deg=-0.218) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0667) USER MOD Single : A 20 HIS : no HE2:sc= 0.984 K(o=0.98,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc= 0.292 K(o=0.29,f=-1.8) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -13:sc= 0.885 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.193) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.056) USER MOD Single : A 60 THR OG1 : rot 111:sc= 1.26! USER MOD Single : A 62 ASN : amide:sc= -0.0103 K(o=-0.01,f=-0.84) USER MOD Single : A 69 SER OG : rot -114:sc= 1.28 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.535 X(o=-0.54,f=-0.33) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.08) USER MOD Single : A 93 SER OG : rot -160:sc= -0.195 USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 1.54 (180deg=1.38) USER MOD Single : A 96 MET CE :methyl 174:sc= 0 (180deg=-0.0871) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -0.881 (180deg=-2.83!) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.208 (180deg=-1.72) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -0.641 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.007 -12.988 16.613 1.00 1.40 N ATOM 2 CA MET A 1 20.903 -12.967 17.599 1.00 1.19 C ATOM 3 C MET A 1 19.618 -12.447 16.964 1.00 1.07 C ATOM 4 O MET A 1 18.706 -13.218 16.679 1.00 1.47 O ATOM 5 CB MET A 1 21.270 -12.107 18.815 1.00 1.39 C ATOM 6 CG MET A 1 20.259 -12.193 19.946 1.00 1.77 C ATOM 7 SD MET A 1 20.378 -10.802 21.094 1.00 2.23 S ATOM 8 CE MET A 1 21.985 -11.100 21.836 1.00 2.70 C ATOM 0 H1 MET A 1 22.872 -13.345 17.067 1.00 1.40 H new ATOM 0 H2 MET A 1 21.751 -13.609 15.819 1.00 1.40 H new ATOM 0 H3 MET A 1 22.175 -12.025 16.259 1.00 1.40 H new ATOM 0 HA MET A 1 20.739 -13.991 17.933 1.00 1.19 H new ATOM 0 HB2 MET A 1 22.247 -12.416 19.187 1.00 1.39 H new ATOM 0 HB3 MET A 1 21.363 -11.068 18.500 1.00 1.39 H new ATOM 0 HG2 MET A 1 19.253 -12.228 19.527 1.00 1.77 H new ATOM 0 HG3 MET A 1 20.409 -13.124 20.493 1.00 1.77 H new ATOM 0 HE1 MET A 1 22.198 -10.321 22.568 1.00 2.70 H new ATOM 0 HE2 MET A 1 21.983 -12.071 22.331 1.00 2.70 H new ATOM 0 HE3 MET A 1 22.751 -11.089 21.061 1.00 2.70 H new ATOM 20 N ALA A 2 19.557 -11.144 16.725 1.00 0.86 N ATOM 21 CA ALA A 2 18.372 -10.532 16.142 1.00 0.87 C ATOM 22 C ALA A 2 18.554 -10.293 14.645 1.00 0.72 C ATOM 23 O ALA A 2 18.703 -9.156 14.196 1.00 0.87 O ATOM 24 CB ALA A 2 18.047 -9.228 16.857 1.00 1.10 C ATOM 0 H ALA A 2 20.314 -10.491 16.926 1.00 0.86 H new ATOM 0 HA ALA A 2 17.536 -11.220 16.270 1.00 0.87 H new ATOM 0 HB1 ALA A 2 17.159 -8.780 16.411 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.862 -9.428 17.912 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.887 -8.541 16.760 1.00 1.10 H new ATOM 30 N ALA A 3 18.549 -11.374 13.881 1.00 0.71 N ATOM 31 CA ALA A 3 18.707 -11.286 12.437 1.00 0.72 C ATOM 32 C ALA A 3 17.756 -12.243 11.735 1.00 0.70 C ATOM 33 O ALA A 3 17.703 -13.428 12.061 1.00 1.05 O ATOM 34 CB ALA A 3 20.147 -11.579 12.042 1.00 0.96 C ATOM 0 H ALA A 3 18.437 -12.323 14.237 1.00 0.71 H new ATOM 0 HA ALA A 3 18.462 -10.271 12.125 1.00 0.72 H new ATOM 0 HB1 ALA A 3 20.249 -11.509 10.959 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.809 -10.854 12.516 1.00 0.96 H new ATOM 0 HB3 ALA A 3 20.416 -12.584 12.368 1.00 0.96 H new ATOM 40 N GLN A 4 16.995 -11.724 10.784 1.00 0.66 N ATOM 41 CA GLN A 4 16.041 -12.534 10.042 1.00 0.68 C ATOM 42 C GLN A 4 15.764 -11.909 8.686 1.00 0.66 C ATOM 43 O GLN A 4 15.916 -10.701 8.509 1.00 0.81 O ATOM 44 CB GLN A 4 14.736 -12.691 10.831 1.00 0.83 C ATOM 45 CG GLN A 4 14.221 -11.393 11.432 1.00 0.97 C ATOM 46 CD GLN A 4 12.940 -11.581 12.221 1.00 1.33 C ATOM 47 OE1 GLN A 4 12.675 -12.658 12.763 1.00 1.79 O ATOM 48 NE2 GLN A 4 12.135 -10.535 12.297 1.00 1.63 N ATOM 0 H GLN A 4 17.020 -10.743 10.507 1.00 0.66 H new ATOM 0 HA GLN A 4 16.473 -13.523 9.891 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.972 -13.104 10.172 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.891 -13.414 11.631 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.986 -10.971 12.084 1.00 0.97 H new ATOM 0 HG3 GLN A 4 14.049 -10.671 10.634 1.00 0.97 H new ATOM 0 HE21 GLN A 4 12.389 -9.662 11.835 1.00 1.63 H new ATOM 0 HE22 GLN A 4 11.260 -10.601 12.817 1.00 1.63 H new ATOM 57 N SER A 5 15.381 -12.734 7.726 1.00 0.71 N ATOM 58 CA SER A 5 15.085 -12.264 6.384 1.00 0.76 C ATOM 59 C SER A 5 14.019 -13.141 5.733 1.00 0.73 C ATOM 60 O SER A 5 14.325 -14.036 4.944 1.00 1.11 O ATOM 61 CB SER A 5 16.359 -12.251 5.533 1.00 0.98 C ATOM 62 OG SER A 5 17.374 -11.475 6.154 1.00 1.18 O ATOM 0 H SER A 5 15.267 -13.740 7.853 1.00 0.71 H new ATOM 0 HA SER A 5 14.700 -11.246 6.450 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.714 -13.271 5.386 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.138 -11.845 4.546 1.00 0.98 H new ATOM 0 HG SER A 5 18.179 -11.481 5.595 1.00 1.18 H new ATOM 68 N ASP A 6 12.767 -12.890 6.084 1.00 0.62 N ATOM 69 CA ASP A 6 11.659 -13.656 5.535 1.00 0.68 C ATOM 70 C ASP A 6 10.798 -12.774 4.647 1.00 0.58 C ATOM 71 O ASP A 6 10.224 -11.786 5.111 1.00 0.80 O ATOM 72 CB ASP A 6 10.790 -14.254 6.651 1.00 0.89 C ATOM 73 CG ASP A 6 11.472 -15.377 7.406 1.00 1.54 C ATOM 74 OD1 ASP A 6 11.526 -16.509 6.881 1.00 1.98 O ATOM 75 OD2 ASP A 6 11.938 -15.139 8.542 1.00 2.18 O ATOM 0 H ASP A 6 12.493 -12.163 6.745 1.00 0.62 H new ATOM 0 HA ASP A 6 12.080 -14.470 4.945 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.520 -13.465 7.353 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.862 -14.628 6.218 1.00 0.89 H new ATOM 80 N LYS A 7 10.716 -13.116 3.371 1.00 0.54 N ATOM 81 CA LYS A 7 9.904 -12.353 2.438 1.00 0.58 C ATOM 82 C LYS A 7 8.671 -13.153 2.037 1.00 0.53 C ATOM 83 O LYS A 7 8.646 -13.809 0.995 1.00 0.85 O ATOM 84 CB LYS A 7 10.712 -11.949 1.202 1.00 0.81 C ATOM 85 CG LYS A 7 11.240 -10.521 1.263 1.00 1.05 C ATOM 86 CD LYS A 7 10.113 -9.519 1.460 1.00 1.24 C ATOM 87 CE LYS A 7 10.303 -8.716 2.738 1.00 1.58 C ATOM 88 NZ LYS A 7 9.086 -7.941 3.099 1.00 1.91 N ATOM 0 H LYS A 7 11.200 -13.914 2.959 1.00 0.54 H new ATOM 0 HA LYS A 7 9.582 -11.439 2.936 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.552 -12.634 1.086 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.086 -12.059 0.316 1.00 0.81 H new ATOM 0 HG2 LYS A 7 11.956 -10.431 2.080 1.00 1.05 H new ATOM 0 HG3 LYS A 7 11.777 -10.291 0.343 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.072 -8.843 0.606 1.00 1.24 H new ATOM 0 HD3 LYS A 7 9.159 -10.045 1.497 1.00 1.24 H new ATOM 0 HE2 LYS A 7 10.558 -9.391 3.555 1.00 1.58 H new ATOM 0 HE3 LYS A 7 11.144 -8.033 2.615 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 9.352 -6.961 3.322 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 8.422 -7.946 2.299 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 8.632 -8.374 3.928 1.00 1.91 H new ATOM 102 N ASP A 8 7.661 -13.100 2.886 1.00 0.50 N ATOM 103 CA ASP A 8 6.417 -13.816 2.655 1.00 0.54 C ATOM 104 C ASP A 8 5.364 -12.883 2.075 1.00 0.51 C ATOM 105 O ASP A 8 5.211 -11.749 2.530 1.00 0.83 O ATOM 106 CB ASP A 8 5.922 -14.430 3.968 1.00 0.75 C ATOM 107 CG ASP A 8 4.438 -14.741 3.958 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.011 -15.628 3.193 1.00 1.44 O ATOM 109 OD2 ASP A 8 3.690 -14.109 4.733 1.00 1.72 O ATOM 0 H ASP A 8 7.678 -12.562 3.752 1.00 0.50 H new ATOM 0 HA ASP A 8 6.598 -14.615 1.935 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.478 -15.347 4.166 1.00 0.75 H new ATOM 0 HB3 ASP A 8 6.138 -13.744 4.787 1.00 0.75 H new ATOM 114 N VAL A 9 4.660 -13.356 1.061 1.00 0.39 N ATOM 115 CA VAL A 9 3.624 -12.568 0.420 1.00 0.35 C ATOM 116 C VAL A 9 2.242 -13.118 0.781 1.00 0.33 C ATOM 117 O VAL A 9 1.865 -14.226 0.385 1.00 0.44 O ATOM 118 CB VAL A 9 3.807 -12.522 -1.121 1.00 0.44 C ATOM 119 CG1 VAL A 9 4.026 -13.914 -1.697 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.618 -11.849 -1.790 1.00 0.47 C ATOM 0 H VAL A 9 4.789 -14.286 0.663 1.00 0.39 H new ATOM 0 HA VAL A 9 3.707 -11.546 0.789 1.00 0.35 H new ATOM 0 HB VAL A 9 4.699 -11.930 -1.327 1.00 0.44 H new ATOM 0 HG11 VAL A 9 4.150 -13.845 -2.778 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.921 -14.354 -1.256 1.00 0.55 H new ATOM 0 HG13 VAL A 9 3.164 -14.541 -1.470 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.771 -11.829 -2.869 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.709 -12.406 -1.562 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.521 -10.829 -1.419 1.00 0.47 H new ATOM 130 N LYS A 10 1.501 -12.346 1.560 1.00 0.30 N ATOM 131 CA LYS A 10 0.172 -12.746 1.988 1.00 0.34 C ATOM 132 C LYS A 10 -0.899 -11.995 1.204 1.00 0.34 C ATOM 133 O LYS A 10 -0.810 -10.785 1.010 1.00 0.48 O ATOM 134 CB LYS A 10 0.009 -12.485 3.482 1.00 0.42 C ATOM 135 CG LYS A 10 -1.183 -13.194 4.100 1.00 0.93 C ATOM 136 CD LYS A 10 -1.366 -12.804 5.559 1.00 0.98 C ATOM 137 CE LYS A 10 -0.214 -13.292 6.427 1.00 1.27 C ATOM 138 NZ LYS A 10 -0.080 -14.773 6.413 1.00 1.97 N ATOM 0 H LYS A 10 1.800 -11.435 1.909 1.00 0.30 H new ATOM 0 HA LYS A 10 0.052 -13.812 1.794 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.916 -12.801 3.998 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.093 -11.412 3.645 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.085 -12.948 3.540 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.046 -14.273 4.025 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.445 -11.720 5.638 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.302 -13.220 5.931 1.00 0.98 H new ATOM 0 HE2 LYS A 10 0.716 -12.843 6.078 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -0.366 -12.954 7.452 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 0.548 -15.072 7.186 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -1.016 -15.208 6.540 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 0.322 -15.077 5.503 1.00 1.97 H new ATOM 152 N TYR A 11 -1.905 -12.720 0.744 1.00 0.34 N ATOM 153 CA TYR A 11 -2.992 -12.121 -0.017 1.00 0.35 C ATOM 154 C TYR A 11 -4.012 -11.482 0.918 1.00 0.33 C ATOM 155 O TYR A 11 -4.903 -12.155 1.442 1.00 0.39 O ATOM 156 CB TYR A 11 -3.672 -13.175 -0.895 1.00 0.43 C ATOM 157 CG TYR A 11 -2.895 -13.530 -2.145 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.589 -13.999 -2.067 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.470 -13.401 -3.404 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.879 -14.332 -3.205 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.767 -13.734 -4.546 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.473 -14.198 -4.441 1.00 0.83 C ATOM 163 OH TYR A 11 -0.772 -14.533 -5.579 1.00 1.03 O ATOM 0 H TYR A 11 -1.993 -13.727 0.884 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.574 -11.345 -0.658 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.826 -14.079 -0.306 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.658 -12.811 -1.184 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.121 -14.105 -1.100 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -4.482 -13.035 -3.491 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.135 -14.695 -3.126 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -3.229 -13.631 -5.517 1.00 0.95 H new ATOM 0 HH TYR A 11 -1.335 -14.381 -6.367 1.00 1.03 H new ATOM 173 N TYR A 12 -3.873 -10.182 1.126 1.00 0.37 N ATOM 174 CA TYR A 12 -4.775 -9.445 1.997 1.00 0.41 C ATOM 175 C TYR A 12 -6.051 -9.059 1.249 1.00 0.42 C ATOM 176 O TYR A 12 -6.061 -8.971 0.021 1.00 0.45 O ATOM 177 CB TYR A 12 -4.095 -8.182 2.532 1.00 0.45 C ATOM 178 CG TYR A 12 -3.004 -8.433 3.552 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.311 -8.605 4.896 1.00 0.77 C ATOM 180 CD2 TYR A 12 -1.668 -8.477 3.173 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.320 -8.816 5.833 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.670 -8.685 4.106 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.002 -8.854 5.435 1.00 0.82 C ATOM 184 OH TYR A 12 -0.015 -9.060 6.370 1.00 1.02 O ATOM 0 H TYR A 12 -3.140 -9.613 0.701 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.035 -10.092 2.835 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.669 -7.632 1.693 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -4.853 -7.541 2.982 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.343 -8.573 5.213 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.405 -8.347 2.134 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.577 -8.951 6.873 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.364 -8.715 3.797 1.00 0.82 H new ATOM 0 HH TYR A 12 0.860 -9.061 5.928 1.00 1.02 H new ATOM 194 N THR A 13 -7.122 -8.843 1.997 1.00 0.47 N ATOM 195 CA THR A 13 -8.397 -8.459 1.416 1.00 0.51 C ATOM 196 C THR A 13 -8.467 -6.945 1.227 1.00 0.47 C ATOM 197 O THR A 13 -7.880 -6.186 2.003 1.00 0.46 O ATOM 198 CB THR A 13 -9.561 -8.930 2.306 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.049 -9.421 3.558 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.353 -10.027 1.608 1.00 0.86 C ATOM 0 H THR A 13 -7.132 -8.928 3.013 1.00 0.47 H new ATOM 0 HA THR A 13 -8.483 -8.939 0.441 1.00 0.51 H new ATOM 0 HB THR A 13 -10.223 -8.085 2.492 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.793 -9.718 4.122 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.172 -10.349 2.250 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.756 -9.644 0.670 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.698 -10.874 1.403 1.00 0.86 H new ATOM 208 N LEU A 14 -9.183 -6.516 0.193 1.00 0.50 N ATOM 209 CA LEU A 14 -9.336 -5.096 -0.109 1.00 0.51 C ATOM 210 C LEU A 14 -9.983 -4.360 1.059 1.00 0.48 C ATOM 211 O LEU A 14 -9.580 -3.254 1.415 1.00 0.51 O ATOM 212 CB LEU A 14 -10.186 -4.921 -1.372 1.00 0.58 C ATOM 213 CG LEU A 14 -10.526 -3.474 -1.743 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.318 -2.777 -2.341 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.696 -3.434 -2.716 1.00 0.95 C ATOM 0 H LEU A 14 -9.670 -7.136 -0.454 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.347 -4.671 -0.277 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.659 -5.378 -2.210 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.117 -5.473 -1.242 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.813 -2.946 -0.833 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.580 -1.751 -2.598 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.504 -2.773 -1.616 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.001 -3.306 -3.240 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.924 -2.398 -2.969 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.434 -3.980 -3.623 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.569 -3.895 -2.254 1.00 0.95 H new ATOM 227 N GLU A 15 -10.964 -5.001 1.671 1.00 0.50 N ATOM 228 CA GLU A 15 -11.692 -4.423 2.791 1.00 0.53 C ATOM 229 C GLU A 15 -10.885 -4.484 4.094 1.00 0.51 C ATOM 230 O GLU A 15 -11.367 -4.074 5.151 1.00 0.61 O ATOM 231 CB GLU A 15 -13.036 -5.143 2.966 1.00 0.61 C ATOM 232 CG GLU A 15 -12.939 -6.666 2.903 1.00 0.67 C ATOM 233 CD GLU A 15 -13.107 -7.212 1.496 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.103 -7.274 0.753 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.238 -7.584 1.128 1.00 1.05 O ATOM 0 H GLU A 15 -11.279 -5.935 1.407 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.867 -3.371 2.566 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.468 -4.856 3.925 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.723 -4.801 2.192 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -11.972 -6.980 3.296 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.702 -7.100 3.549 1.00 0.67 H new ATOM 242 N GLU A 16 -9.656 -4.982 4.022 1.00 0.46 N ATOM 243 CA GLU A 16 -8.814 -5.084 5.210 1.00 0.50 C ATOM 244 C GLU A 16 -7.631 -4.122 5.130 1.00 0.46 C ATOM 245 O GLU A 16 -7.267 -3.485 6.122 1.00 0.51 O ATOM 246 CB GLU A 16 -8.314 -6.521 5.400 1.00 0.58 C ATOM 247 CG GLU A 16 -7.735 -6.790 6.781 1.00 1.05 C ATOM 248 CD GLU A 16 -8.688 -6.411 7.899 1.00 1.60 C ATOM 249 OE1 GLU A 16 -9.835 -6.910 7.903 1.00 2.32 O ATOM 250 OE2 GLU A 16 -8.297 -5.604 8.774 1.00 2.19 O ATOM 0 H GLU A 16 -9.223 -5.319 3.162 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.422 -4.809 6.072 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.140 -7.210 5.221 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.553 -6.734 4.649 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.484 -7.847 6.866 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.806 -6.232 6.896 1.00 1.05 H new ATOM 257 N ILE A 17 -7.028 -4.019 3.953 1.00 0.42 N ATOM 258 CA ILE A 17 -5.882 -3.136 3.758 1.00 0.44 C ATOM 259 C ILE A 17 -6.259 -1.674 3.980 1.00 0.43 C ATOM 260 O ILE A 17 -5.517 -0.923 4.615 1.00 0.48 O ATOM 261 CB ILE A 17 -5.265 -3.297 2.353 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.357 -3.330 1.281 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.413 -4.558 2.293 1.00 0.58 C ATOM 264 CD1 ILE A 17 -5.828 -3.247 -0.132 1.00 0.98 C ATOM 0 H ILE A 17 -7.311 -4.534 3.119 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.139 -3.428 4.500 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.625 -2.437 2.156 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.932 -4.249 1.390 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.045 -2.502 1.451 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.984 -4.660 1.296 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.611 -4.491 3.028 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.034 -5.427 2.511 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -6.661 -3.276 -0.835 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -5.278 -2.315 -0.260 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.163 -4.090 -0.322 1.00 0.98 H new ATOM 276 N LYS A 18 -7.433 -1.281 3.493 1.00 0.42 N ATOM 277 CA LYS A 18 -7.893 0.097 3.637 1.00 0.48 C ATOM 278 C LYS A 18 -8.468 0.355 5.027 1.00 0.50 C ATOM 279 O LYS A 18 -9.001 1.429 5.297 1.00 0.63 O ATOM 280 CB LYS A 18 -8.932 0.436 2.566 1.00 0.56 C ATOM 281 CG LYS A 18 -10.190 -0.418 2.627 1.00 0.53 C ATOM 282 CD LYS A 18 -11.384 0.307 2.026 1.00 0.87 C ATOM 283 CE LYS A 18 -11.117 0.733 0.589 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.874 1.957 0.226 1.00 1.48 N ATOM 0 H LYS A 18 -8.080 -1.894 2.997 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.026 0.745 3.506 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.213 1.484 2.667 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.475 0.321 1.583 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.023 -1.353 2.092 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.405 -0.678 3.663 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.258 -0.343 2.057 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.618 1.185 2.629 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.050 0.913 0.456 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.391 -0.077 -0.087 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.665 2.215 -0.760 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.893 1.778 0.329 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -11.594 2.737 0.854 1.00 1.48 H new ATOM 298 N LYS A 19 -8.359 -0.629 5.903 1.00 0.47 N ATOM 299 CA LYS A 19 -8.853 -0.499 7.266 1.00 0.53 C ATOM 300 C LYS A 19 -7.671 -0.465 8.232 1.00 0.54 C ATOM 301 O LYS A 19 -7.828 -0.582 9.445 1.00 0.67 O ATOM 302 CB LYS A 19 -9.796 -1.664 7.605 1.00 0.60 C ATOM 303 CG LYS A 19 -10.703 -1.394 8.799 1.00 0.84 C ATOM 304 CD LYS A 19 -11.862 -0.476 8.436 1.00 1.09 C ATOM 305 CE LYS A 19 -13.042 -1.256 7.875 1.00 1.31 C ATOM 306 NZ LYS A 19 -13.781 -1.992 8.938 1.00 1.68 N ATOM 0 H LYS A 19 -7.931 -1.531 5.695 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.416 0.430 7.360 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.413 -1.884 6.734 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.200 -2.554 7.807 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.093 -2.338 9.179 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.121 -0.943 9.602 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.179 0.078 9.320 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.529 0.258 7.702 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.722 -0.571 7.369 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.686 -1.963 7.125 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -14.683 -2.340 8.556 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.209 -2.797 9.264 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -13.967 -1.353 9.737 1.00 1.68 H new ATOM 320 N HIS A 20 -6.478 -0.308 7.674 1.00 0.55 N ATOM 321 CA HIS A 20 -5.260 -0.265 8.475 1.00 0.59 C ATOM 322 C HIS A 20 -4.638 1.127 8.457 1.00 0.58 C ATOM 323 O HIS A 20 -3.774 1.437 9.273 1.00 0.66 O ATOM 324 CB HIS A 20 -4.249 -1.289 7.957 1.00 0.68 C ATOM 325 CG HIS A 20 -4.412 -2.656 8.544 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.199 -3.633 7.973 1.00 0.90 N ATOM 327 CD2 HIS A 20 -3.871 -3.213 9.654 1.00 0.98 C ATOM 328 CE1 HIS A 20 -5.132 -4.729 8.704 1.00 1.07 C ATOM 329 NE2 HIS A 20 -4.334 -4.499 9.727 1.00 1.13 N ATOM 0 H HIS A 20 -6.327 -0.208 6.670 1.00 0.55 H new ATOM 0 HA HIS A 20 -5.527 -0.509 9.503 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -4.339 -1.357 6.873 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.242 -0.931 8.171 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -5.747 -3.525 7.119 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.200 -2.732 10.351 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -5.644 -5.657 8.499 1.00 1.07 H new ATOM 338 N ASN A 21 -5.099 1.968 7.539 1.00 0.58 N ATOM 339 CA ASN A 21 -4.582 3.330 7.398 1.00 0.61 C ATOM 340 C ASN A 21 -4.979 4.203 8.590 1.00 0.60 C ATOM 341 O ASN A 21 -5.987 4.906 8.556 1.00 0.75 O ATOM 342 CB ASN A 21 -5.080 3.965 6.086 1.00 0.72 C ATOM 343 CG ASN A 21 -6.546 3.678 5.791 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.337 3.377 6.689 1.00 0.96 O ATOM 345 ND2 ASN A 21 -6.919 3.761 4.525 1.00 0.88 N ATOM 0 H ASN A 21 -5.836 1.731 6.875 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.494 3.269 7.370 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.932 5.044 6.134 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.472 3.596 5.260 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -7.887 3.573 4.265 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.238 4.013 3.808 1.00 0.88 H new ATOM 352 N HIS A 22 -4.180 4.156 9.648 1.00 0.64 N ATOM 353 CA HIS A 22 -4.473 4.935 10.846 1.00 0.76 C ATOM 354 C HIS A 22 -3.224 5.603 11.411 1.00 0.88 C ATOM 355 O HIS A 22 -3.139 6.829 11.450 1.00 1.61 O ATOM 356 CB HIS A 22 -5.133 4.051 11.910 1.00 0.83 C ATOM 357 CG HIS A 22 -6.542 3.681 11.569 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.938 2.391 11.291 1.00 1.32 N ATOM 359 CD2 HIS A 22 -7.646 4.448 11.433 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.223 2.382 10.994 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.676 3.618 11.074 1.00 1.09 N ATOM 0 H HIS A 22 -3.331 3.593 9.703 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.166 5.726 10.560 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.545 3.142 12.036 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -5.121 4.573 12.867 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -7.706 5.516 11.580 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.805 1.511 10.730 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.637 3.909 10.897 1.00 1.09 H new ATOM 370 N SER A 23 -2.261 4.807 11.858 1.00 0.60 N ATOM 371 CA SER A 23 -1.037 5.361 12.428 1.00 0.62 C ATOM 372 C SER A 23 0.155 4.435 12.211 1.00 0.52 C ATOM 373 O SER A 23 1.051 4.730 11.422 1.00 0.62 O ATOM 374 CB SER A 23 -1.233 5.613 13.927 1.00 0.84 C ATOM 375 OG SER A 23 -1.937 4.536 14.530 1.00 1.32 O ATOM 0 H SER A 23 -2.301 3.788 11.838 1.00 0.60 H new ATOM 0 HA SER A 23 -0.826 6.301 11.919 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.264 5.736 14.410 1.00 0.84 H new ATOM 0 HB3 SER A 23 -1.783 6.542 14.076 1.00 0.84 H new ATOM 0 HG SER A 23 -2.051 4.714 15.487 1.00 1.32 H new ATOM 381 N LYS A 24 0.146 3.305 12.906 1.00 0.51 N ATOM 382 CA LYS A 24 1.231 2.331 12.818 1.00 0.51 C ATOM 383 C LYS A 24 0.828 1.129 11.968 1.00 0.44 C ATOM 384 O LYS A 24 1.166 -0.015 12.282 1.00 0.45 O ATOM 385 CB LYS A 24 1.642 1.879 14.223 1.00 0.71 C ATOM 386 CG LYS A 24 0.502 1.915 15.231 1.00 0.97 C ATOM 387 CD LYS A 24 0.989 1.629 16.640 1.00 1.41 C ATOM 388 CE LYS A 24 0.031 2.192 17.677 1.00 1.88 C ATOM 389 NZ LYS A 24 0.570 2.076 19.057 1.00 2.36 N ATOM 0 H LYS A 24 -0.605 3.037 13.542 1.00 0.51 H new ATOM 0 HA LYS A 24 2.082 2.810 12.334 1.00 0.51 H new ATOM 0 HB2 LYS A 24 2.036 0.864 14.169 1.00 0.71 H new ATOM 0 HB3 LYS A 24 2.451 2.517 14.579 1.00 0.71 H new ATOM 0 HG2 LYS A 24 0.023 2.894 15.203 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.254 1.181 14.951 1.00 0.97 H new ATOM 0 HD2 LYS A 24 1.091 0.553 16.781 1.00 1.41 H new ATOM 0 HD3 LYS A 24 1.978 2.064 16.781 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -0.170 3.240 17.454 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -0.921 1.665 17.615 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -0.115 2.472 19.732 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 0.738 1.074 19.281 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 1.465 2.600 19.125 1.00 2.36 H new ATOM 403 N SER A 25 0.097 1.400 10.894 1.00 0.43 N ATOM 404 CA SER A 25 -0.360 0.363 9.972 1.00 0.42 C ATOM 405 C SER A 25 -0.714 0.983 8.621 1.00 0.42 C ATOM 406 O SER A 25 -1.492 0.423 7.847 1.00 0.50 O ATOM 407 CB SER A 25 -1.579 -0.369 10.544 1.00 0.48 C ATOM 408 OG SER A 25 -1.267 -1.004 11.770 1.00 0.83 O ATOM 0 H SER A 25 -0.196 2.342 10.636 1.00 0.43 H new ATOM 0 HA SER A 25 0.447 -0.357 9.836 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.394 0.339 10.695 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.931 -1.111 9.827 1.00 0.48 H new ATOM 0 HG SER A 25 -0.295 -1.014 11.895 1.00 0.83 H new ATOM 414 N THR A 26 -0.127 2.137 8.345 1.00 0.42 N ATOM 415 CA THR A 26 -0.378 2.854 7.107 1.00 0.43 C ATOM 416 C THR A 26 0.325 2.174 5.934 1.00 0.36 C ATOM 417 O THR A 26 1.520 2.371 5.713 1.00 0.41 O ATOM 418 CB THR A 26 0.098 4.311 7.240 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.244 4.807 8.545 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.530 5.197 6.177 1.00 0.56 C ATOM 0 H THR A 26 0.533 2.600 8.970 1.00 0.42 H new ATOM 0 HA THR A 26 -1.451 2.845 6.913 1.00 0.43 H new ATOM 0 HB THR A 26 1.179 4.332 7.103 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.469 4.581 9.178 1.00 0.64 H new ATOM 0 HG21 THR A 26 -0.173 6.220 6.299 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.253 4.831 5.188 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.615 5.176 6.281 1.00 0.56 H new ATOM 428 N TRP A 27 -0.424 1.362 5.197 1.00 0.35 N ATOM 429 CA TRP A 27 0.119 0.638 4.058 1.00 0.33 C ATOM 430 C TRP A 27 -0.358 1.243 2.742 1.00 0.32 C ATOM 431 O TRP A 27 -1.475 1.759 2.652 1.00 0.36 O ATOM 432 CB TRP A 27 -0.296 -0.836 4.121 1.00 0.38 C ATOM 433 CG TRP A 27 0.146 -1.542 5.369 1.00 0.40 C ATOM 434 CD1 TRP A 27 1.165 -1.178 6.202 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.413 -2.741 5.920 1.00 0.48 C ATOM 436 NE1 TRP A 27 1.271 -2.072 7.235 1.00 0.48 N ATOM 437 CE2 TRP A 27 0.316 -3.040 7.087 1.00 0.52 C ATOM 438 CE3 TRP A 27 -1.459 -3.590 5.544 1.00 0.56 C ATOM 439 CZ2 TRP A 27 0.035 -4.149 7.877 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -1.737 -4.692 6.330 1.00 0.68 C ATOM 441 CH2 TRP A 27 -0.993 -4.962 7.485 1.00 0.71 C ATOM 0 H TRP A 27 -1.414 1.189 5.371 1.00 0.35 H new ATOM 0 HA TRP A 27 1.205 0.714 4.102 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.381 -0.901 4.044 1.00 0.38 H new ATOM 0 HB3 TRP A 27 0.116 -1.356 3.256 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.796 -0.312 6.066 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.952 -2.023 7.992 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.039 -3.388 4.656 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.608 -4.361 8.768 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -2.541 -5.356 6.049 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.236 -5.831 8.079 1.00 0.71 H new ATOM 452 N LEU A 28 0.491 1.169 1.727 1.00 0.32 N ATOM 453 CA LEU A 28 0.161 1.686 0.406 1.00 0.33 C ATOM 454 C LEU A 28 0.154 0.546 -0.599 1.00 0.32 C ATOM 455 O LEU A 28 0.816 -0.470 -0.392 1.00 0.32 O ATOM 456 CB LEU A 28 1.165 2.761 -0.028 1.00 0.36 C ATOM 457 CG LEU A 28 0.855 4.177 0.459 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.906 4.642 1.453 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.771 5.140 -0.716 1.00 0.99 C ATOM 0 H LEU A 28 1.420 0.753 1.794 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.828 2.142 0.448 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.154 2.478 0.333 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.214 2.771 -1.117 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.112 4.162 0.962 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.668 5.652 1.788 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.919 3.969 2.310 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.885 4.640 0.975 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.550 6.142 -0.350 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.723 5.150 -1.247 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.020 4.819 -1.394 1.00 0.99 H new ATOM 471 N ILE A 29 -0.594 0.706 -1.678 1.00 0.35 N ATOM 472 CA ILE A 29 -0.673 -0.330 -2.695 1.00 0.36 C ATOM 473 C ILE A 29 -0.112 0.165 -4.022 1.00 0.36 C ATOM 474 O ILE A 29 -0.546 1.190 -4.554 1.00 0.39 O ATOM 475 CB ILE A 29 -2.125 -0.837 -2.891 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.587 -1.633 -1.666 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.240 -1.699 -4.146 1.00 0.44 C ATOM 478 CD1 ILE A 29 -3.153 -0.779 -0.550 1.00 0.80 C ATOM 0 H ILE A 29 -1.152 1.538 -1.872 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.068 -1.166 -2.344 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.769 0.034 -3.011 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -3.344 -2.352 -1.978 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -1.744 -2.205 -1.279 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.269 -2.041 -4.259 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.955 -1.111 -5.019 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.579 -2.561 -4.057 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -3.456 -1.418 0.279 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -2.393 -0.077 -0.208 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.018 -0.226 -0.917 1.00 0.80 H new ATOM 490 N LEU A 30 0.874 -0.558 -4.532 1.00 0.34 N ATOM 491 CA LEU A 30 1.504 -0.234 -5.802 1.00 0.37 C ATOM 492 C LEU A 30 1.565 -1.489 -6.657 1.00 0.38 C ATOM 493 O LEU A 30 2.068 -2.518 -6.211 1.00 0.38 O ATOM 494 CB LEU A 30 2.915 0.320 -5.591 1.00 0.38 C ATOM 495 CG LEU A 30 3.015 1.560 -4.704 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.463 1.836 -4.341 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.402 2.764 -5.400 1.00 0.48 C ATOM 0 H LEU A 30 1.259 -1.385 -4.077 1.00 0.34 H new ATOM 0 HA LEU A 30 0.913 0.533 -6.303 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.533 -0.466 -5.156 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.341 0.558 -6.566 1.00 0.38 H new ATOM 0 HG LEU A 30 2.458 1.373 -3.786 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.517 2.722 -3.709 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.873 0.981 -3.803 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.041 2.003 -5.250 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.482 3.638 -4.753 1.00 0.48 H new ATOM 0 HD22 LEU A 30 2.932 2.953 -6.334 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.352 2.565 -5.613 1.00 0.48 H new ATOM 509 N HIS A 31 1.035 -1.399 -7.872 1.00 0.41 N ATOM 510 CA HIS A 31 1.002 -2.531 -8.799 1.00 0.43 C ATOM 511 C HIS A 31 0.163 -3.658 -8.207 1.00 0.42 C ATOM 512 O HIS A 31 0.461 -4.838 -8.401 1.00 0.45 O ATOM 513 CB HIS A 31 2.416 -3.033 -9.127 1.00 0.47 C ATOM 514 CG HIS A 31 3.179 -2.146 -10.063 1.00 0.66 C ATOM 515 ND1 HIS A 31 2.924 -2.077 -11.414 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.205 -1.293 -9.833 1.00 1.10 C ATOM 517 CE1 HIS A 31 3.758 -1.223 -11.974 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.550 -0.733 -11.039 1.00 1.18 N ATOM 0 H HIS A 31 0.618 -0.546 -8.243 1.00 0.41 H new ATOM 0 HA HIS A 31 0.549 -2.194 -9.731 1.00 0.43 H new ATOM 0 HB2 HIS A 31 2.979 -3.133 -8.199 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.344 -4.029 -9.565 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.667 -1.090 -8.878 1.00 1.10 H new ATOM 0 HE1 HIS A 31 3.788 -0.967 -13.023 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.295 -0.052 -11.187 1.00 1.18 H new ATOM 527 N HIS A 32 -0.884 -3.266 -7.475 1.00 0.42 N ATOM 528 CA HIS A 32 -1.802 -4.205 -6.823 1.00 0.44 C ATOM 529 C HIS A 32 -1.110 -4.997 -5.714 1.00 0.40 C ATOM 530 O HIS A 32 -1.590 -6.054 -5.295 1.00 0.44 O ATOM 531 CB HIS A 32 -2.441 -5.154 -7.847 1.00 0.52 C ATOM 532 CG HIS A 32 -3.324 -4.459 -8.840 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.121 -4.516 -10.200 1.00 1.01 N ATOM 534 CD2 HIS A 32 -4.420 -3.685 -8.660 1.00 0.85 C ATOM 535 CE1 HIS A 32 -4.052 -3.814 -10.815 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.856 -3.297 -9.903 1.00 0.97 N ATOM 0 H HIS A 32 -1.119 -2.286 -7.317 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.593 -3.613 -6.362 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.652 -5.682 -8.382 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -3.026 -5.906 -7.317 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.869 -3.421 -7.714 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.142 -3.684 -11.883 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.667 -2.707 -10.091 1.00 0.97 H new ATOM 545 N LYS A 33 0.010 -4.476 -5.230 1.00 0.37 N ATOM 546 CA LYS A 33 0.758 -5.118 -4.160 1.00 0.37 C ATOM 547 C LYS A 33 0.740 -4.242 -2.911 1.00 0.33 C ATOM 548 O LYS A 33 0.716 -3.017 -3.007 1.00 0.36 O ATOM 549 CB LYS A 33 2.195 -5.383 -4.598 1.00 0.40 C ATOM 550 CG LYS A 33 2.311 -6.377 -5.743 1.00 0.57 C ATOM 551 CD LYS A 33 3.341 -5.932 -6.767 1.00 0.79 C ATOM 552 CE LYS A 33 3.605 -7.010 -7.806 1.00 0.94 C ATOM 553 NZ LYS A 33 4.290 -8.193 -7.221 1.00 1.02 N ATOM 0 H LYS A 33 0.421 -3.605 -5.565 1.00 0.37 H new ATOM 0 HA LYS A 33 0.286 -6.073 -3.929 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.654 -4.441 -4.898 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.762 -5.756 -3.745 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.587 -7.355 -5.350 1.00 0.57 H new ATOM 0 HG3 LYS A 33 1.341 -6.490 -6.227 1.00 0.57 H new ATOM 0 HD2 LYS A 33 2.993 -5.026 -7.263 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.272 -5.680 -6.260 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.661 -7.322 -8.252 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.216 -6.598 -8.609 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.661 -8.792 -7.986 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 5.075 -7.876 -6.617 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.613 -8.739 -6.651 1.00 1.02 H new ATOM 567 N VAL A 34 0.765 -4.871 -1.744 1.00 0.30 N ATOM 568 CA VAL A 34 0.723 -4.145 -0.481 1.00 0.30 C ATOM 569 C VAL A 34 2.125 -3.883 0.063 1.00 0.27 C ATOM 570 O VAL A 34 2.892 -4.816 0.319 1.00 0.28 O ATOM 571 CB VAL A 34 -0.099 -4.912 0.577 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.286 -4.071 1.834 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.449 -5.327 0.011 1.00 0.35 C ATOM 0 H VAL A 34 0.814 -5.885 -1.645 1.00 0.30 H new ATOM 0 HA VAL A 34 0.241 -3.189 -0.684 1.00 0.30 H new ATOM 0 HB VAL A 34 0.455 -5.811 0.846 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -0.868 -4.633 2.564 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.689 -3.827 2.257 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.812 -3.151 1.581 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.013 -5.866 0.772 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.005 -4.440 -0.292 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.298 -5.973 -0.854 1.00 0.35 H new ATOM 583 N TYR A 35 2.448 -2.613 0.251 1.00 0.28 N ATOM 584 CA TYR A 35 3.750 -2.219 0.762 1.00 0.28 C ATOM 585 C TYR A 35 3.605 -1.529 2.117 1.00 0.30 C ATOM 586 O TYR A 35 2.822 -0.587 2.258 1.00 0.32 O ATOM 587 CB TYR A 35 4.447 -1.280 -0.228 1.00 0.31 C ATOM 588 CG TYR A 35 4.839 -1.946 -1.531 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.050 -2.613 -1.651 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.002 -1.904 -2.642 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.416 -3.223 -2.833 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.364 -2.514 -3.828 1.00 0.47 C ATOM 593 CZ TYR A 35 5.572 -3.169 -3.917 1.00 0.41 C ATOM 594 OH TYR A 35 5.936 -3.782 -5.095 1.00 0.48 O ATOM 0 H TYR A 35 1.821 -1.833 0.055 1.00 0.28 H new ATOM 0 HA TYR A 35 4.356 -3.116 0.887 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.786 -0.440 -0.444 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.340 -0.870 0.243 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.718 -2.655 -0.804 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.056 -1.387 -2.576 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.361 -3.741 -2.906 1.00 0.40 H new ATOM 0 HE2 TYR A 35 3.703 -2.477 -4.681 1.00 0.47 H new ATOM 0 HH TYR A 35 5.230 -3.653 -5.763 1.00 0.48 H new ATOM 604 N ASP A 36 4.353 -2.006 3.108 1.00 0.32 N ATOM 605 CA ASP A 36 4.312 -1.431 4.448 1.00 0.36 C ATOM 606 C ASP A 36 5.476 -0.483 4.667 1.00 0.38 C ATOM 607 O ASP A 36 6.641 -0.878 4.627 1.00 0.50 O ATOM 608 CB ASP A 36 4.338 -2.524 5.522 1.00 0.43 C ATOM 609 CG ASP A 36 4.672 -1.980 6.906 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.187 -0.879 7.259 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.411 -2.665 7.652 1.00 1.28 O ATOM 0 H ASP A 36 4.996 -2.791 3.007 1.00 0.32 H new ATOM 0 HA ASP A 36 3.378 -0.876 4.533 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.367 -3.019 5.555 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.072 -3.281 5.247 1.00 0.43 H new ATOM 616 N LEU A 37 5.146 0.771 4.890 1.00 0.37 N ATOM 617 CA LEU A 37 6.142 1.793 5.141 1.00 0.43 C ATOM 618 C LEU A 37 5.602 2.757 6.184 1.00 0.37 C ATOM 619 O LEU A 37 5.953 3.935 6.208 1.00 0.40 O ATOM 620 CB LEU A 37 6.518 2.536 3.850 1.00 0.56 C ATOM 621 CG LEU A 37 5.388 3.303 3.158 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.958 4.443 2.327 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.571 2.370 2.279 1.00 0.80 C ATOM 0 H LEU A 37 4.184 1.111 4.903 1.00 0.37 H new ATOM 0 HA LEU A 37 7.052 1.322 5.514 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.319 3.239 4.080 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.923 1.812 3.143 1.00 0.56 H new ATOM 0 HG LEU A 37 4.733 3.719 3.924 1.00 0.66 H new ATOM 0 HD11 LEU A 37 5.144 4.981 1.840 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.508 5.126 2.975 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.631 4.040 1.570 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.772 2.932 1.795 1.00 0.80 H new ATOM 0 HD22 LEU A 37 5.216 1.928 1.519 1.00 0.80 H new ATOM 0 HD23 LEU A 37 4.138 1.579 2.892 1.00 0.80 H new ATOM 635 N THR A 38 4.762 2.224 7.070 1.00 0.34 N ATOM 636 CA THR A 38 4.137 3.013 8.122 1.00 0.36 C ATOM 637 C THR A 38 5.170 3.611 9.084 1.00 0.38 C ATOM 638 O THR A 38 4.874 4.551 9.823 1.00 0.44 O ATOM 639 CB THR A 38 3.113 2.166 8.906 1.00 0.41 C ATOM 640 OG1 THR A 38 2.208 3.022 9.611 1.00 0.48 O ATOM 641 CG2 THR A 38 3.798 1.220 9.888 1.00 0.48 C ATOM 0 H THR A 38 4.499 1.239 7.076 1.00 0.34 H new ATOM 0 HA THR A 38 3.619 3.839 7.635 1.00 0.36 H new ATOM 0 HB THR A 38 2.562 1.561 8.186 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.707 3.759 10.021 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.044 0.641 10.421 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.457 0.544 9.343 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.383 1.799 10.603 1.00 0.48 H new ATOM 649 N LYS A 39 6.375 3.060 9.077 1.00 0.39 N ATOM 650 CA LYS A 39 7.446 3.553 9.935 1.00 0.47 C ATOM 651 C LYS A 39 8.492 4.284 9.100 1.00 0.47 C ATOM 652 O LYS A 39 9.537 4.694 9.606 1.00 0.59 O ATOM 653 CB LYS A 39 8.094 2.400 10.709 1.00 0.56 C ATOM 654 CG LYS A 39 7.340 2.010 11.975 1.00 0.75 C ATOM 655 CD LYS A 39 7.403 3.109 13.025 1.00 0.92 C ATOM 656 CE LYS A 39 6.538 2.778 14.229 1.00 1.27 C ATOM 657 NZ LYS A 39 6.350 3.957 15.118 1.00 1.50 N ATOM 0 H LYS A 39 6.637 2.271 8.487 1.00 0.39 H new ATOM 0 HA LYS A 39 7.019 4.251 10.655 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.164 1.530 10.056 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.113 2.681 10.976 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.299 1.800 11.729 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.763 1.092 12.383 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.435 3.249 13.345 1.00 0.92 H new ATOM 0 HD3 LYS A 39 7.074 4.051 12.587 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.566 2.420 13.890 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.997 1.967 14.794 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.754 3.690 15.928 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.276 4.283 15.462 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 5.889 4.723 14.586 1.00 1.50 H new ATOM 671 N PHE A 40 8.195 4.453 7.819 1.00 0.40 N ATOM 672 CA PHE A 40 9.104 5.124 6.898 1.00 0.44 C ATOM 673 C PHE A 40 8.420 6.318 6.243 1.00 0.40 C ATOM 674 O PHE A 40 8.979 6.953 5.352 1.00 0.42 O ATOM 675 CB PHE A 40 9.586 4.136 5.831 1.00 0.52 C ATOM 676 CG PHE A 40 11.031 4.306 5.457 1.00 1.16 C ATOM 677 CD1 PHE A 40 12.032 3.868 6.306 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.385 4.893 4.254 1.00 1.77 C ATOM 679 CE1 PHE A 40 13.362 4.012 5.963 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.714 5.043 3.907 1.00 2.45 C ATOM 681 CZ PHE A 40 13.705 4.601 4.760 1.00 2.68 C ATOM 0 H PHE A 40 7.326 4.133 7.391 1.00 0.40 H new ATOM 0 HA PHE A 40 9.964 5.489 7.459 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.431 3.120 6.194 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.973 4.253 4.937 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.770 3.408 7.248 1.00 1.66 H new ATOM 0 HD2 PHE A 40 10.614 5.237 3.580 1.00 1.77 H new ATOM 0 HE1 PHE A 40 14.134 3.665 6.634 1.00 2.39 H new ATOM 0 HE2 PHE A 40 12.978 5.506 2.968 1.00 2.45 H new ATOM 0 HZ PHE A 40 14.744 4.715 4.489 1.00 2.68 H new ATOM 691 N LEU A 41 7.209 6.624 6.696 1.00 0.39 N ATOM 692 CA LEU A 41 6.445 7.746 6.152 1.00 0.43 C ATOM 693 C LEU A 41 7.204 9.055 6.336 1.00 0.44 C ATOM 694 O LEU A 41 7.337 9.850 5.409 1.00 0.47 O ATOM 695 CB LEU A 41 5.084 7.851 6.841 1.00 0.49 C ATOM 696 CG LEU A 41 4.188 6.616 6.731 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.957 6.774 7.611 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.784 6.373 5.284 1.00 0.59 C ATOM 0 H LEU A 41 6.733 6.112 7.439 1.00 0.39 H new ATOM 0 HA LEU A 41 6.298 7.565 5.087 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.248 8.066 7.897 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.550 8.703 6.421 1.00 0.49 H new ATOM 0 HG LEU A 41 4.752 5.750 7.077 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.330 5.887 7.522 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.265 6.897 8.649 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.393 7.651 7.293 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.147 5.490 5.227 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.239 7.239 4.908 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.677 6.216 4.679 1.00 0.59 H new ATOM 710 N GLU A 42 7.707 9.257 7.546 1.00 0.49 N ATOM 711 CA GLU A 42 8.456 10.460 7.884 1.00 0.56 C ATOM 712 C GLU A 42 9.837 10.449 7.233 1.00 0.54 C ATOM 713 O GLU A 42 10.498 11.484 7.127 1.00 0.66 O ATOM 714 CB GLU A 42 8.592 10.561 9.403 1.00 0.67 C ATOM 715 CG GLU A 42 9.167 9.306 10.043 1.00 0.72 C ATOM 716 CD GLU A 42 8.929 9.246 11.534 1.00 0.93 C ATOM 717 OE1 GLU A 42 9.179 10.260 12.220 1.00 1.40 O ATOM 718 OE2 GLU A 42 8.488 8.183 12.027 1.00 1.50 O ATOM 0 H GLU A 42 7.609 8.596 8.317 1.00 0.49 H new ATOM 0 HA GLU A 42 7.914 11.327 7.505 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.231 11.410 9.648 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.612 10.764 9.835 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.723 8.428 9.573 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.239 9.263 9.849 1.00 0.72 H new ATOM 725 N GLU A 43 10.255 9.273 6.787 1.00 0.48 N ATOM 726 CA GLU A 43 11.556 9.098 6.156 1.00 0.50 C ATOM 727 C GLU A 43 11.440 9.161 4.640 1.00 0.43 C ATOM 728 O GLU A 43 12.430 9.016 3.922 1.00 0.54 O ATOM 729 CB GLU A 43 12.158 7.753 6.566 1.00 0.58 C ATOM 730 CG GLU A 43 12.140 7.508 8.062 1.00 0.76 C ATOM 731 CD GLU A 43 13.512 7.637 8.677 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.165 8.683 8.474 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.948 6.687 9.362 1.00 1.56 O ATOM 0 H GLU A 43 9.705 8.417 6.852 1.00 0.48 H new ATOM 0 HA GLU A 43 12.206 9.908 6.489 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.609 6.953 6.069 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.187 7.702 6.211 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.463 8.218 8.537 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.747 6.511 8.261 1.00 0.76 H new ATOM 740 N HIS A 44 10.228 9.371 4.155 1.00 0.43 N ATOM 741 CA HIS A 44 9.986 9.439 2.727 1.00 0.39 C ATOM 742 C HIS A 44 10.053 10.883 2.237 1.00 0.43 C ATOM 743 O HIS A 44 9.369 11.763 2.770 1.00 0.51 O ATOM 744 CB HIS A 44 8.626 8.817 2.391 1.00 0.41 C ATOM 745 CG HIS A 44 8.315 8.810 0.930 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.482 9.720 0.324 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.755 7.985 -0.055 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.436 9.429 -0.979 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.194 8.386 -1.261 1.00 0.41 N ATOM 0 H HIS A 44 9.396 9.497 4.732 1.00 0.43 H new ATOM 0 HA HIS A 44 10.764 8.872 2.216 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.602 7.793 2.764 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.845 9.366 2.917 1.00 0.41 H new ATOM 0 HD1 HIS A 44 6.987 10.482 0.787 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.431 7.153 0.078 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.855 9.976 -1.707 1.00 0.40 H new ATOM 757 N PRO A 45 10.893 11.143 1.224 1.00 0.44 N ATOM 758 CA PRO A 45 11.048 12.480 0.651 1.00 0.53 C ATOM 759 C PRO A 45 9.773 12.959 -0.041 1.00 0.62 C ATOM 760 O PRO A 45 9.175 12.236 -0.837 1.00 1.11 O ATOM 761 CB PRO A 45 12.183 12.314 -0.364 1.00 0.58 C ATOM 762 CG PRO A 45 12.217 10.860 -0.682 1.00 0.56 C ATOM 763 CD PRO A 45 11.761 10.150 0.560 1.00 0.44 C ATOM 0 HA PRO A 45 11.259 13.228 1.415 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.000 12.908 -1.259 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.134 12.648 0.051 1.00 0.58 H new ATOM 0 HG2 PRO A 45 11.564 10.630 -1.524 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.222 10.546 -0.963 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.217 9.236 0.323 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.602 9.866 1.192 1.00 0.44 H new ATOM 771 N GLY A 46 9.353 14.174 0.279 1.00 0.75 N ATOM 772 CA GLY A 46 8.150 14.724 -0.320 1.00 0.82 C ATOM 773 C GLY A 46 7.043 14.913 0.695 1.00 0.83 C ATOM 774 O GLY A 46 6.105 15.684 0.476 1.00 1.38 O ATOM 0 H GLY A 46 9.822 14.790 0.942 1.00 0.75 H new ATOM 0 HA2 GLY A 46 8.383 15.682 -0.785 1.00 0.82 H new ATOM 0 HA3 GLY A 46 7.805 14.061 -1.113 1.00 0.82 H new ATOM 778 N GLY A 47 7.148 14.204 1.805 1.00 0.66 N ATOM 779 CA GLY A 47 6.150 14.316 2.844 1.00 0.67 C ATOM 780 C GLY A 47 5.417 13.012 3.081 1.00 0.60 C ATOM 781 O GLY A 47 5.512 12.083 2.279 1.00 0.64 O ATOM 0 H GLY A 47 7.907 13.552 2.006 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.628 14.635 3.770 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.432 15.090 2.573 1.00 0.67 H new ATOM 785 N GLU A 48 4.676 12.951 4.179 1.00 0.61 N ATOM 786 CA GLU A 48 3.917 11.758 4.533 1.00 0.63 C ATOM 787 C GLU A 48 2.422 11.984 4.325 1.00 0.63 C ATOM 788 O GLU A 48 1.644 11.030 4.231 1.00 0.65 O ATOM 789 CB GLU A 48 4.196 11.362 5.985 1.00 0.76 C ATOM 790 CG GLU A 48 4.190 12.537 6.948 1.00 0.95 C ATOM 791 CD GLU A 48 4.479 12.122 8.373 1.00 1.21 C ATOM 792 OE1 GLU A 48 3.543 11.675 9.064 1.00 1.79 O ATOM 793 OE2 GLU A 48 5.643 12.250 8.809 1.00 1.86 O ATOM 0 H GLU A 48 4.584 13.719 4.844 1.00 0.61 H new ATOM 0 HA GLU A 48 4.234 10.946 3.879 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.448 10.637 6.305 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.165 10.865 6.038 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.933 13.268 6.628 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.219 13.031 6.907 1.00 0.95 H new ATOM 800 N GLU A 49 2.026 13.251 4.241 1.00 0.66 N ATOM 801 CA GLU A 49 0.625 13.609 4.039 1.00 0.74 C ATOM 802 C GLU A 49 0.103 13.023 2.728 1.00 0.68 C ATOM 803 O GLU A 49 -1.012 12.507 2.665 1.00 0.72 O ATOM 804 CB GLU A 49 0.465 15.133 4.034 1.00 0.86 C ATOM 805 CG GLU A 49 -0.982 15.595 4.113 1.00 1.10 C ATOM 806 CD GLU A 49 -1.579 15.439 5.498 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.912 14.303 5.887 1.00 1.69 O ATOM 808 OE2 GLU A 49 -1.729 16.456 6.203 1.00 1.81 O ATOM 0 H GLU A 49 2.657 14.049 4.310 1.00 0.66 H new ATOM 0 HA GLU A 49 0.041 13.193 4.860 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.017 15.550 4.876 1.00 0.86 H new ATOM 0 HB3 GLU A 49 0.916 15.534 3.127 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -1.040 16.642 3.814 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.579 15.026 3.400 1.00 1.10 H new ATOM 815 N VAL A 50 0.935 13.074 1.696 1.00 0.63 N ATOM 816 CA VAL A 50 0.571 12.552 0.383 1.00 0.60 C ATOM 817 C VAL A 50 0.541 11.028 0.374 1.00 0.54 C ATOM 818 O VAL A 50 0.016 10.411 -0.552 1.00 0.54 O ATOM 819 CB VAL A 50 1.542 13.043 -0.712 1.00 0.64 C ATOM 820 CG1 VAL A 50 1.328 14.522 -0.983 1.00 0.75 C ATOM 821 CG2 VAL A 50 2.990 12.776 -0.318 1.00 0.62 C ATOM 0 H VAL A 50 1.872 13.474 1.743 1.00 0.63 H new ATOM 0 HA VAL A 50 -0.429 12.929 0.168 1.00 0.60 H new ATOM 0 HB VAL A 50 1.334 12.487 -1.626 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.020 14.854 -1.757 1.00 0.75 H new ATOM 0 HG12 VAL A 50 0.304 14.686 -1.317 1.00 0.75 H new ATOM 0 HG13 VAL A 50 1.507 15.089 -0.069 1.00 0.75 H new ATOM 0 HG21 VAL A 50 3.653 13.131 -1.107 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.217 13.300 0.610 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.137 11.705 -0.176 1.00 0.62 H new ATOM 831 N LEU A 51 1.094 10.426 1.417 1.00 0.52 N ATOM 832 CA LEU A 51 1.142 8.978 1.525 1.00 0.50 C ATOM 833 C LEU A 51 -0.064 8.443 2.287 1.00 0.53 C ATOM 834 O LEU A 51 -0.690 7.472 1.870 1.00 0.55 O ATOM 835 CB LEU A 51 2.431 8.539 2.225 1.00 0.48 C ATOM 836 CG LEU A 51 3.732 9.006 1.566 1.00 0.46 C ATOM 837 CD1 LEU A 51 4.927 8.568 2.396 1.00 0.49 C ATOM 838 CD2 LEU A 51 3.840 8.462 0.148 1.00 0.47 C ATOM 0 H LEU A 51 1.517 10.921 2.202 1.00 0.52 H new ATOM 0 HA LEU A 51 1.122 8.568 0.515 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.411 8.908 3.250 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.442 7.450 2.279 1.00 0.48 H new ATOM 0 HG LEU A 51 3.723 10.095 1.514 1.00 0.46 H new ATOM 0 HD11 LEU A 51 5.846 8.906 1.917 1.00 0.49 H new ATOM 0 HD12 LEU A 51 4.856 9.003 3.393 1.00 0.49 H new ATOM 0 HD13 LEU A 51 4.937 7.481 2.474 1.00 0.49 H new ATOM 0 HD21 LEU A 51 4.771 8.805 -0.303 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.829 7.372 0.175 1.00 0.47 H new ATOM 0 HD23 LEU A 51 2.997 8.819 -0.444 1.00 0.47 H new ATOM 850 N ARG A 52 -0.404 9.095 3.396 1.00 0.59 N ATOM 851 CA ARG A 52 -1.532 8.660 4.213 1.00 0.66 C ATOM 852 C ARG A 52 -2.865 8.833 3.485 1.00 0.65 C ATOM 853 O ARG A 52 -3.840 8.153 3.799 1.00 0.69 O ATOM 854 CB ARG A 52 -1.552 9.391 5.565 1.00 0.79 C ATOM 855 CG ARG A 52 -1.448 10.909 5.481 1.00 0.97 C ATOM 856 CD ARG A 52 -2.786 11.562 5.154 1.00 1.22 C ATOM 857 NE ARG A 52 -3.843 11.141 6.068 1.00 1.50 N ATOM 858 CZ ARG A 52 -4.228 11.836 7.134 1.00 1.90 C ATOM 859 NH1 ARG A 52 -3.647 12.995 7.429 1.00 2.00 N ATOM 860 NH2 ARG A 52 -5.201 11.369 7.902 1.00 2.61 N ATOM 0 H ARG A 52 0.082 9.920 3.747 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.398 7.595 4.401 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.474 9.134 6.086 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.728 9.019 6.174 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -1.078 11.299 6.429 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.718 11.180 4.718 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.680 12.646 5.199 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.071 11.311 4.132 1.00 1.22 H new ATOM 0 HE ARG A 52 -4.316 10.258 5.877 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.900 13.357 6.836 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -3.948 13.522 8.249 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -5.649 10.482 7.674 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -5.502 11.897 8.721 1.00 2.61 H new ATOM 874 N GLU A 53 -2.907 9.737 2.512 1.00 0.64 N ATOM 875 CA GLU A 53 -4.133 9.971 1.758 1.00 0.68 C ATOM 876 C GLU A 53 -4.301 8.903 0.681 1.00 0.65 C ATOM 877 O GLU A 53 -5.408 8.642 0.213 1.00 0.78 O ATOM 878 CB GLU A 53 -4.141 11.381 1.142 1.00 0.72 C ATOM 879 CG GLU A 53 -3.162 11.572 -0.009 1.00 0.67 C ATOM 880 CD GLU A 53 -3.223 12.965 -0.607 1.00 0.81 C ATOM 881 OE1 GLU A 53 -4.339 13.486 -0.805 1.00 1.35 O ATOM 882 OE2 GLU A 53 -2.152 13.541 -0.899 1.00 1.26 O ATOM 0 H GLU A 53 -2.115 10.314 2.229 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.978 9.906 2.444 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -5.147 11.603 0.787 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.911 12.106 1.922 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -2.150 11.377 0.345 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -3.374 10.838 -0.786 1.00 0.67 H new ATOM 889 N GLN A 54 -3.194 8.272 0.311 1.00 0.57 N ATOM 890 CA GLN A 54 -3.205 7.227 -0.706 1.00 0.58 C ATOM 891 C GLN A 54 -3.136 5.850 -0.055 1.00 0.57 C ATOM 892 O GLN A 54 -3.164 4.821 -0.733 1.00 0.60 O ATOM 893 CB GLN A 54 -2.024 7.409 -1.659 1.00 0.57 C ATOM 894 CG GLN A 54 -2.106 8.672 -2.503 1.00 0.64 C ATOM 895 CD GLN A 54 -3.238 8.629 -3.508 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.061 8.183 -4.638 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.411 9.092 -3.103 1.00 0.96 N ATOM 0 H GLN A 54 -2.272 8.467 0.702 1.00 0.57 H new ATOM 0 HA GLN A 54 -4.135 7.303 -1.270 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -1.101 7.430 -1.079 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.966 6.544 -2.320 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -2.239 9.534 -1.849 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -1.163 8.814 -3.030 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.517 9.454 -2.155 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -5.209 9.086 -3.739 1.00 0.96 H new ATOM 906 N ALA A 55 -3.051 5.848 1.267 1.00 0.58 N ATOM 907 CA ALA A 55 -2.967 4.619 2.036 1.00 0.60 C ATOM 908 C ALA A 55 -4.268 3.841 1.962 1.00 0.61 C ATOM 909 O ALA A 55 -5.356 4.402 2.113 1.00 0.68 O ATOM 910 CB ALA A 55 -2.614 4.930 3.481 1.00 0.65 C ATOM 0 H ALA A 55 -3.038 6.696 1.834 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.180 3.999 1.607 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.554 4.001 4.049 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.652 5.442 3.519 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.383 5.570 3.914 1.00 0.65 H new ATOM 916 N GLY A 56 -4.149 2.547 1.728 1.00 0.59 N ATOM 917 CA GLY A 56 -5.316 1.702 1.637 1.00 0.64 C ATOM 918 C GLY A 56 -5.826 1.565 0.218 1.00 0.62 C ATOM 919 O GLY A 56 -6.816 0.878 -0.027 1.00 0.66 O ATOM 0 H GLY A 56 -3.260 2.064 1.599 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.076 0.714 2.030 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.107 2.112 2.265 1.00 0.64 H new ATOM 923 N GLY A 57 -5.152 2.216 -0.718 1.00 0.63 N ATOM 924 CA GLY A 57 -5.562 2.144 -2.103 1.00 0.65 C ATOM 925 C GLY A 57 -4.384 2.042 -3.044 1.00 0.59 C ATOM 926 O GLY A 57 -3.232 2.182 -2.628 1.00 0.55 O ATOM 0 H GLY A 57 -4.329 2.792 -0.542 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.212 1.280 -2.243 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -6.148 3.028 -2.353 1.00 0.65 H new ATOM 930 N ASP A 58 -4.672 1.789 -4.314 1.00 0.65 N ATOM 931 CA ASP A 58 -3.632 1.672 -5.329 1.00 0.62 C ATOM 932 C ASP A 58 -3.201 3.058 -5.794 1.00 0.61 C ATOM 933 O ASP A 58 -4.010 3.827 -6.315 1.00 0.71 O ATOM 934 CB ASP A 58 -4.129 0.841 -6.520 1.00 0.69 C ATOM 935 CG ASP A 58 -3.027 0.527 -7.515 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.745 1.378 -8.391 1.00 1.51 O ATOM 937 OD2 ASP A 58 -2.441 -0.575 -7.438 1.00 1.32 O ATOM 0 H ASP A 58 -5.620 1.660 -4.667 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.774 1.162 -4.891 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.558 -0.091 -6.153 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.928 1.382 -7.027 1.00 0.69 H new ATOM 942 N ALA A 59 -1.929 3.372 -5.601 1.00 0.55 N ATOM 943 CA ALA A 59 -1.392 4.668 -5.990 1.00 0.57 C ATOM 944 C ALA A 59 -0.300 4.510 -7.036 1.00 0.54 C ATOM 945 O ALA A 59 0.605 5.341 -7.140 1.00 0.54 O ATOM 946 CB ALA A 59 -0.860 5.399 -4.769 1.00 0.60 C ATOM 0 H ALA A 59 -1.247 2.745 -5.176 1.00 0.55 H new ATOM 0 HA ALA A 59 -2.196 5.258 -6.430 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -0.460 6.367 -5.070 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.668 5.547 -4.053 1.00 0.60 H new ATOM 0 HB3 ALA A 59 -0.069 4.808 -4.307 1.00 0.60 H new ATOM 952 N THR A 60 -0.393 3.439 -7.811 1.00 0.56 N ATOM 953 CA THR A 60 0.584 3.153 -8.852 1.00 0.57 C ATOM 954 C THR A 60 0.682 4.304 -9.852 1.00 0.57 C ATOM 955 O THR A 60 1.770 4.625 -10.331 1.00 0.58 O ATOM 956 CB THR A 60 0.225 1.860 -9.602 1.00 0.64 C ATOM 957 OG1 THR A 60 -0.157 0.851 -8.662 1.00 0.67 O ATOM 958 CG2 THR A 60 1.397 1.365 -10.439 1.00 0.71 C ATOM 0 H THR A 60 -1.141 2.749 -7.737 1.00 0.56 H new ATOM 0 HA THR A 60 1.549 3.028 -8.361 1.00 0.57 H new ATOM 0 HB THR A 60 -0.606 2.073 -10.274 1.00 0.64 H new ATOM 0 HG1 THR A 60 -1.117 0.671 -8.747 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.113 0.449 -10.957 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.669 2.126 -11.170 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.249 1.165 -9.789 1.00 0.71 H new ATOM 966 N GLU A 61 -0.457 4.929 -10.142 1.00 0.62 N ATOM 967 CA GLU A 61 -0.515 6.044 -11.082 1.00 0.67 C ATOM 968 C GLU A 61 0.455 7.159 -10.689 1.00 0.63 C ATOM 969 O GLU A 61 1.182 7.680 -11.531 1.00 0.74 O ATOM 970 CB GLU A 61 -1.945 6.587 -11.170 1.00 0.78 C ATOM 971 CG GLU A 61 -2.684 6.580 -9.840 1.00 0.83 C ATOM 972 CD GLU A 61 -2.926 7.973 -9.298 1.00 1.06 C ATOM 973 OE1 GLU A 61 -3.841 8.659 -9.794 1.00 1.48 O ATOM 974 OE2 GLU A 61 -2.209 8.385 -8.365 1.00 1.64 O ATOM 0 H GLU A 61 -1.358 4.679 -9.735 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.214 5.673 -12.062 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.914 7.607 -11.553 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.506 5.993 -11.891 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -3.640 6.071 -9.963 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -2.109 6.007 -9.113 1.00 0.83 H new ATOM 981 N ASN A 62 0.475 7.499 -9.405 1.00 0.56 N ATOM 982 CA ASN A 62 1.353 8.549 -8.894 1.00 0.55 C ATOM 983 C ASN A 62 2.812 8.097 -8.929 1.00 0.50 C ATOM 984 O ASN A 62 3.715 8.878 -9.229 1.00 0.50 O ATOM 985 CB ASN A 62 0.952 8.911 -7.461 1.00 0.58 C ATOM 986 CG ASN A 62 1.227 10.363 -7.118 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.181 10.966 -7.610 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.387 10.937 -6.272 1.00 1.32 N ATOM 0 H ASN A 62 -0.110 7.060 -8.694 1.00 0.56 H new ATOM 0 HA ASN A 62 1.249 9.428 -9.530 1.00 0.55 H new ATOM 0 HB2 ASN A 62 -0.110 8.706 -7.324 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.493 8.270 -6.765 1.00 0.58 H new ATOM 0 HD21 ASN A 62 0.518 11.913 -6.006 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.392 10.404 -5.886 1.00 1.32 H new ATOM 995 N PHE A 63 3.020 6.816 -8.647 1.00 0.48 N ATOM 996 CA PHE A 63 4.357 6.220 -8.626 1.00 0.46 C ATOM 997 C PHE A 63 5.066 6.387 -9.972 1.00 0.49 C ATOM 998 O PHE A 63 6.206 6.859 -10.032 1.00 0.50 O ATOM 999 CB PHE A 63 4.244 4.733 -8.268 1.00 0.48 C ATOM 1000 CG PHE A 63 5.550 4.070 -7.927 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.031 4.087 -6.628 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.290 3.418 -8.902 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.225 3.468 -6.308 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.484 2.798 -8.587 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.953 2.823 -7.288 1.00 0.73 C ATOM 0 H PHE A 63 2.271 6.160 -8.427 1.00 0.48 H new ATOM 0 HA PHE A 63 4.953 6.736 -7.874 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.566 4.627 -7.421 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.791 4.204 -9.107 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.467 4.590 -5.856 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.929 3.395 -9.920 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.588 3.489 -5.291 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.050 2.294 -9.356 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.886 2.340 -7.040 1.00 0.73 H new ATOM 1015 N GLU A 64 4.379 6.010 -11.047 1.00 0.53 N ATOM 1016 CA GLU A 64 4.940 6.104 -12.392 1.00 0.58 C ATOM 1017 C GLU A 64 4.904 7.541 -12.908 1.00 0.57 C ATOM 1018 O GLU A 64 5.710 7.921 -13.756 1.00 0.65 O ATOM 1019 CB GLU A 64 4.178 5.184 -13.351 1.00 0.69 C ATOM 1020 CG GLU A 64 2.675 5.225 -13.153 1.00 1.08 C ATOM 1021 CD GLU A 64 1.915 4.612 -14.303 1.00 1.47 C ATOM 1022 OE1 GLU A 64 1.823 3.371 -14.371 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.390 5.375 -15.143 1.00 1.89 O ATOM 0 H GLU A 64 3.431 5.636 -11.013 1.00 0.53 H new ATOM 0 HA GLU A 64 5.982 5.786 -12.343 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.410 5.468 -14.377 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.528 4.160 -13.216 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.420 4.698 -12.234 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.358 6.260 -13.025 1.00 1.08 H new ATOM 1030 N ASP A 65 3.970 8.335 -12.397 1.00 0.54 N ATOM 1031 CA ASP A 65 3.845 9.732 -12.811 1.00 0.55 C ATOM 1032 C ASP A 65 5.036 10.536 -12.308 1.00 0.53 C ATOM 1033 O ASP A 65 5.601 11.358 -13.031 1.00 0.58 O ATOM 1034 CB ASP A 65 2.541 10.332 -12.283 1.00 0.57 C ATOM 1035 CG ASP A 65 2.405 11.810 -12.589 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.155 12.163 -13.764 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.539 12.627 -11.655 1.00 0.79 O ATOM 0 H ASP A 65 3.289 8.039 -11.698 1.00 0.54 H new ATOM 0 HA ASP A 65 3.828 9.772 -13.900 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.698 9.797 -12.720 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.489 10.183 -11.204 1.00 0.57 H new ATOM 1042 N VAL A 66 5.417 10.282 -11.063 1.00 0.50 N ATOM 1043 CA VAL A 66 6.549 10.963 -10.449 1.00 0.52 C ATOM 1044 C VAL A 66 7.867 10.420 -11.000 1.00 0.50 C ATOM 1045 O VAL A 66 8.754 11.183 -11.385 1.00 0.55 O ATOM 1046 CB VAL A 66 6.531 10.800 -8.912 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.873 11.182 -8.301 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.416 11.633 -8.302 1.00 0.60 C ATOM 0 H VAL A 66 4.955 9.605 -10.455 1.00 0.50 H new ATOM 0 HA VAL A 66 6.465 12.022 -10.691 1.00 0.52 H new ATOM 0 HB VAL A 66 6.346 9.749 -8.689 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.829 11.057 -7.219 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.654 10.541 -8.709 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.097 12.222 -8.537 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.418 11.506 -7.219 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.573 12.684 -8.545 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.457 11.307 -8.704 1.00 0.60 H new ATOM 1058 N GLY A 67 7.976 9.099 -11.063 1.00 0.50 N ATOM 1059 CA GLY A 67 9.191 8.482 -11.551 1.00 0.54 C ATOM 1060 C GLY A 67 10.128 8.144 -10.413 1.00 0.54 C ATOM 1061 O GLY A 67 10.601 9.032 -9.706 1.00 0.82 O ATOM 0 H GLY A 67 7.244 8.445 -10.785 1.00 0.50 H new ATOM 0 HA2 GLY A 67 8.945 7.576 -12.104 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.689 9.156 -12.248 1.00 0.54 H new ATOM 1065 N HIS A 68 10.388 6.861 -10.221 1.00 0.45 N ATOM 1066 CA HIS A 68 11.261 6.419 -9.146 1.00 0.42 C ATOM 1067 C HIS A 68 12.524 5.774 -9.697 1.00 0.47 C ATOM 1068 O HIS A 68 12.489 5.101 -10.729 1.00 0.58 O ATOM 1069 CB HIS A 68 10.525 5.438 -8.234 1.00 0.39 C ATOM 1070 CG HIS A 68 9.576 6.099 -7.278 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.436 6.777 -7.660 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.616 6.173 -5.924 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.837 7.230 -6.551 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.514 6.890 -5.474 1.00 0.40 N ATOM 0 H HIS A 68 10.008 6.108 -10.795 1.00 0.45 H new ATOM 0 HA HIS A 68 11.551 7.295 -8.565 1.00 0.42 H new ATOM 0 HB2 HIS A 68 9.972 4.729 -8.849 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.257 4.864 -7.666 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.108 6.909 -8.617 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.382 5.743 -5.296 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.919 7.799 -6.541 1.00 0.35 H new ATOM 1082 N SER A 69 13.634 5.984 -9.001 1.00 0.45 N ATOM 1083 CA SER A 69 14.923 5.433 -9.400 1.00 0.50 C ATOM 1084 C SER A 69 14.949 3.914 -9.229 1.00 0.50 C ATOM 1085 O SER A 69 14.066 3.334 -8.586 1.00 0.46 O ATOM 1086 CB SER A 69 16.028 6.078 -8.561 1.00 0.55 C ATOM 1087 OG SER A 69 15.608 6.247 -7.216 1.00 1.01 O ATOM 0 H SER A 69 13.666 6.540 -8.146 1.00 0.45 H new ATOM 0 HA SER A 69 15.087 5.652 -10.455 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.923 5.457 -8.592 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.296 7.045 -8.987 1.00 0.55 H new ATOM 0 HG SER A 69 15.546 7.203 -7.010 1.00 1.01 H new ATOM 1093 N THR A 70 15.961 3.274 -9.807 1.00 0.59 N ATOM 1094 CA THR A 70 16.105 1.831 -9.714 1.00 0.64 C ATOM 1095 C THR A 70 16.248 1.401 -8.262 1.00 0.61 C ATOM 1096 O THR A 70 15.607 0.451 -7.817 1.00 0.66 O ATOM 1097 CB THR A 70 17.328 1.346 -10.509 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.704 2.341 -11.469 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.024 0.039 -11.220 1.00 1.08 C ATOM 0 H THR A 70 16.694 3.736 -10.345 1.00 0.59 H new ATOM 0 HA THR A 70 15.207 1.382 -10.138 1.00 0.64 H new ATOM 0 HB THR A 70 18.150 1.179 -9.813 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.485 2.030 -11.973 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.903 -0.286 -11.776 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.758 -0.721 -10.486 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.192 0.185 -11.909 1.00 1.08 H new ATOM 1107 N ASP A 71 17.071 2.129 -7.521 1.00 0.60 N ATOM 1108 CA ASP A 71 17.303 1.832 -6.113 1.00 0.61 C ATOM 1109 C ASP A 71 16.021 2.014 -5.304 1.00 0.54 C ATOM 1110 O ASP A 71 15.756 1.267 -4.363 1.00 0.56 O ATOM 1111 CB ASP A 71 18.406 2.738 -5.560 1.00 0.70 C ATOM 1112 CG ASP A 71 18.751 2.434 -4.116 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.004 1.252 -3.795 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.781 3.378 -3.296 1.00 1.29 O ATOM 0 H ASP A 71 17.591 2.933 -7.872 1.00 0.60 H new ATOM 0 HA ASP A 71 17.619 0.792 -6.028 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.301 2.628 -6.173 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.090 3.778 -5.641 1.00 0.70 H new ATOM 1119 N ALA A 72 15.217 2.998 -5.697 1.00 0.48 N ATOM 1120 CA ALA A 72 13.963 3.289 -5.012 1.00 0.44 C ATOM 1121 C ALA A 72 12.948 2.163 -5.188 1.00 0.42 C ATOM 1122 O ALA A 72 12.348 1.704 -4.217 1.00 0.43 O ATOM 1123 CB ALA A 72 13.382 4.599 -5.517 1.00 0.47 C ATOM 0 H ALA A 72 15.414 3.609 -6.490 1.00 0.48 H new ATOM 0 HA ALA A 72 14.181 3.376 -3.948 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.446 4.806 -4.998 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.088 5.407 -5.327 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.195 4.525 -6.588 1.00 0.47 H new ATOM 1129 N ARG A 73 12.764 1.709 -6.424 1.00 0.44 N ATOM 1130 CA ARG A 73 11.810 0.637 -6.699 1.00 0.48 C ATOM 1131 C ARG A 73 12.273 -0.686 -6.091 1.00 0.49 C ATOM 1132 O ARG A 73 11.457 -1.564 -5.810 1.00 0.56 O ATOM 1133 CB ARG A 73 11.556 0.494 -8.207 1.00 0.54 C ATOM 1134 CG ARG A 73 12.812 0.312 -9.044 1.00 0.68 C ATOM 1135 CD ARG A 73 12.923 -1.099 -9.592 1.00 0.74 C ATOM 1136 NE ARG A 73 11.862 -1.401 -10.550 1.00 0.90 N ATOM 1137 CZ ARG A 73 11.327 -2.609 -10.715 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.741 -3.632 -9.979 1.00 1.08 N ATOM 1139 NH2 ARG A 73 10.376 -2.792 -11.624 1.00 1.36 N ATOM 0 H ARG A 73 13.257 2.062 -7.244 1.00 0.44 H new ATOM 0 HA ARG A 73 10.865 0.906 -6.226 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.898 -0.359 -8.372 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.025 1.379 -8.559 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.805 1.023 -9.870 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.689 0.537 -8.437 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.893 -1.225 -10.074 1.00 0.74 H new ATOM 0 HD3 ARG A 73 12.881 -1.812 -8.768 1.00 0.74 H new ATOM 0 HE ARG A 73 11.509 -0.639 -11.129 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.473 -3.496 -9.282 1.00 1.08 H new ATOM 0 HH12 ARG A 73 11.327 -4.555 -10.110 1.00 1.08 H new ATOM 0 HH21 ARG A 73 10.057 -2.008 -12.194 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.964 -3.716 -11.753 1.00 1.36 H new ATOM 1153 N GLU A 74 13.576 -0.824 -5.879 1.00 0.47 N ATOM 1154 CA GLU A 74 14.121 -2.034 -5.280 1.00 0.51 C ATOM 1155 C GLU A 74 14.089 -1.932 -3.757 1.00 0.49 C ATOM 1156 O GLU A 74 14.285 -2.922 -3.052 1.00 0.55 O ATOM 1157 CB GLU A 74 15.550 -2.288 -5.765 1.00 0.57 C ATOM 1158 CG GLU A 74 15.636 -2.652 -7.239 1.00 0.65 C ATOM 1159 CD GLU A 74 14.807 -3.872 -7.593 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.287 -5.004 -7.386 1.00 1.01 O ATOM 1161 OE2 GLU A 74 13.674 -3.709 -8.095 1.00 0.84 O ATOM 0 H GLU A 74 14.272 -0.116 -6.112 1.00 0.47 H new ATOM 0 HA GLU A 74 13.502 -2.876 -5.590 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.150 -1.396 -5.584 1.00 0.57 H new ATOM 0 HB3 GLU A 74 15.988 -3.093 -5.174 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.301 -1.805 -7.838 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.677 -2.837 -7.503 1.00 0.65 H new ATOM 1168 N LEU A 75 13.828 -0.731 -3.257 1.00 0.47 N ATOM 1169 CA LEU A 75 13.756 -0.495 -1.820 1.00 0.48 C ATOM 1170 C LEU A 75 12.425 -1.001 -1.278 1.00 0.43 C ATOM 1171 O LEU A 75 12.348 -1.535 -0.173 1.00 0.44 O ATOM 1172 CB LEU A 75 13.918 0.999 -1.515 1.00 0.53 C ATOM 1173 CG LEU A 75 13.832 1.376 -0.035 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.114 1.007 0.689 1.00 0.65 C ATOM 1175 CD2 LEU A 75 13.540 2.859 0.118 1.00 0.61 C ATOM 0 H LEU A 75 13.662 0.098 -3.828 1.00 0.47 H new ATOM 0 HA LEU A 75 14.567 -1.037 -1.334 1.00 0.48 H new ATOM 0 HB2 LEU A 75 14.882 1.330 -1.902 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.150 1.550 -2.059 1.00 0.53 H new ATOM 0 HG LEU A 75 13.014 0.814 0.415 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.031 1.284 1.740 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.281 -0.067 0.609 1.00 0.65 H new ATOM 0 HD13 LEU A 75 15.952 1.539 0.239 1.00 0.65 H new ATOM 0 HD21 LEU A 75 13.482 3.111 1.177 1.00 0.61 H new ATOM 0 HD22 LEU A 75 14.337 3.437 -0.349 1.00 0.61 H new ATOM 0 HD23 LEU A 75 12.591 3.095 -0.364 1.00 0.61 H new ATOM 1187 N SER A 76 11.380 -0.854 -2.084 1.00 0.45 N ATOM 1188 CA SER A 76 10.041 -1.289 -1.710 1.00 0.46 C ATOM 1189 C SER A 76 9.966 -2.812 -1.582 1.00 0.43 C ATOM 1190 O SER A 76 9.016 -3.354 -1.020 1.00 0.45 O ATOM 1191 CB SER A 76 9.042 -0.793 -2.752 1.00 0.55 C ATOM 1192 OG SER A 76 9.638 0.192 -3.581 1.00 0.82 O ATOM 0 H SER A 76 11.437 -0.432 -3.011 1.00 0.45 H new ATOM 0 HA SER A 76 9.796 -0.866 -0.736 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.697 -1.629 -3.361 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.165 -0.377 -2.255 1.00 0.55 H new ATOM 0 HG SER A 76 8.986 0.499 -4.245 1.00 0.82 H new ATOM 1198 N LYS A 77 10.992 -3.487 -2.088 1.00 0.45 N ATOM 1199 CA LYS A 77 11.075 -4.942 -2.053 1.00 0.51 C ATOM 1200 C LYS A 77 11.010 -5.476 -0.620 1.00 0.47 C ATOM 1201 O LYS A 77 10.505 -6.570 -0.378 1.00 0.56 O ATOM 1202 CB LYS A 77 12.378 -5.384 -2.718 1.00 0.63 C ATOM 1203 CG LYS A 77 12.478 -6.877 -2.965 1.00 0.94 C ATOM 1204 CD LYS A 77 13.826 -7.234 -3.563 1.00 1.20 C ATOM 1205 CE LYS A 77 13.909 -8.700 -3.952 1.00 1.60 C ATOM 1206 NZ LYS A 77 15.165 -8.998 -4.684 1.00 1.89 N ATOM 0 H LYS A 77 11.792 -3.039 -2.535 1.00 0.45 H new ATOM 0 HA LYS A 77 10.221 -5.350 -2.594 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.482 -4.863 -3.670 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.215 -5.074 -2.092 1.00 0.63 H new ATOM 0 HG2 LYS A 77 12.336 -7.416 -2.028 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.681 -7.193 -3.638 1.00 0.94 H new ATOM 0 HD2 LYS A 77 14.007 -6.615 -4.442 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.613 -7.005 -2.844 1.00 1.20 H new ATOM 0 HE2 LYS A 77 13.853 -9.319 -3.056 1.00 1.60 H new ATOM 0 HE3 LYS A 77 13.053 -8.961 -4.574 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 15.190 -10.007 -4.935 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 15.206 -8.425 -5.551 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 15.981 -8.771 -4.080 1.00 1.89 H new ATOM 1220 N THR A 78 11.524 -4.709 0.327 1.00 0.42 N ATOM 1221 CA THR A 78 11.507 -5.134 1.719 1.00 0.48 C ATOM 1222 C THR A 78 10.215 -4.705 2.408 1.00 0.43 C ATOM 1223 O THR A 78 9.823 -5.273 3.429 1.00 0.53 O ATOM 1224 CB THR A 78 12.728 -4.586 2.492 1.00 0.59 C ATOM 1225 OG1 THR A 78 12.814 -5.200 3.781 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.658 -3.075 2.655 1.00 0.63 C ATOM 0 H THR A 78 11.954 -3.799 0.162 1.00 0.42 H new ATOM 0 HA THR A 78 11.560 -6.223 1.724 1.00 0.48 H new ATOM 0 HB THR A 78 13.617 -4.826 1.909 1.00 0.59 H new ATOM 0 HG1 THR A 78 13.592 -4.846 4.261 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.534 -2.727 3.203 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.634 -2.604 1.672 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.756 -2.810 3.206 1.00 0.63 H new ATOM 1234 N PHE A 79 9.534 -3.733 1.822 1.00 0.36 N ATOM 1235 CA PHE A 79 8.296 -3.215 2.389 1.00 0.38 C ATOM 1236 C PHE A 79 7.094 -4.072 2.002 1.00 0.32 C ATOM 1237 O PHE A 79 6.089 -4.093 2.711 1.00 0.33 O ATOM 1238 CB PHE A 79 8.071 -1.767 1.946 1.00 0.46 C ATOM 1239 CG PHE A 79 9.117 -0.803 2.441 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.664 -0.932 3.710 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.552 0.235 1.635 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.622 -0.047 4.162 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.510 1.124 2.082 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.046 0.983 3.348 1.00 0.70 C ATOM 0 H PHE A 79 9.818 -3.285 0.951 1.00 0.36 H new ATOM 0 HA PHE A 79 8.395 -3.248 3.474 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.046 -1.731 0.857 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.093 -1.438 2.298 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.336 -1.736 4.352 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.137 0.351 0.645 1.00 0.96 H new ATOM 0 HE1 PHE A 79 11.039 -0.161 5.152 1.00 1.16 H new ATOM 0 HE2 PHE A 79 10.840 1.929 1.442 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.795 1.677 3.699 1.00 0.70 H new ATOM 1254 N ILE A 80 7.188 -4.775 0.879 1.00 0.38 N ATOM 1255 CA ILE A 80 6.087 -5.619 0.429 1.00 0.36 C ATOM 1256 C ILE A 80 5.903 -6.821 1.355 1.00 0.33 C ATOM 1257 O ILE A 80 6.852 -7.555 1.644 1.00 0.42 O ATOM 1258 CB ILE A 80 6.276 -6.093 -1.033 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.039 -6.862 -1.510 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.532 -6.942 -1.186 1.00 0.58 C ATOM 1261 CD1 ILE A 80 5.105 -7.279 -2.961 1.00 0.72 C ATOM 0 H ILE A 80 8.006 -4.778 0.269 1.00 0.38 H new ATOM 0 HA ILE A 80 5.186 -5.007 0.464 1.00 0.36 H new ATOM 0 HB ILE A 80 6.399 -5.209 -1.658 1.00 0.46 H new ATOM 0 HG12 ILE A 80 4.914 -7.750 -0.891 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.156 -6.241 -1.359 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.634 -7.258 -2.224 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.405 -6.356 -0.898 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.457 -7.821 -0.545 1.00 0.58 H new ATOM 0 HD11 ILE A 80 4.196 -7.818 -3.226 1.00 0.72 H new ATOM 0 HD12 ILE A 80 5.199 -6.394 -3.590 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.968 -7.926 -3.115 1.00 0.72 H new ATOM 1273 N ILE A 81 4.686 -6.980 1.858 1.00 0.28 N ATOM 1274 CA ILE A 81 4.364 -8.088 2.752 1.00 0.32 C ATOM 1275 C ILE A 81 3.210 -8.911 2.192 1.00 0.29 C ATOM 1276 O ILE A 81 2.822 -9.931 2.762 1.00 0.31 O ATOM 1277 CB ILE A 81 3.997 -7.612 4.182 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.665 -6.833 4.194 1.00 0.50 C ATOM 1279 CG2 ILE A 81 5.124 -6.775 4.776 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.774 -5.380 3.772 1.00 0.77 C ATOM 0 H ILE A 81 3.903 -6.356 1.663 1.00 0.28 H new ATOM 0 HA ILE A 81 5.264 -8.700 2.820 1.00 0.32 H new ATOM 0 HB ILE A 81 3.863 -8.497 4.804 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.960 -7.337 3.533 1.00 0.50 H new ATOM 0 HG13 ILE A 81 2.245 -6.874 5.199 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.847 -6.451 5.779 1.00 0.43 H new ATOM 0 HG22 ILE A 81 6.034 -7.373 4.826 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.298 -5.901 4.148 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.789 -4.915 3.812 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.451 -4.855 4.446 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.161 -5.325 2.754 1.00 0.77 H new ATOM 1292 N GLY A 82 2.664 -8.462 1.073 1.00 0.32 N ATOM 1293 CA GLY A 82 1.561 -9.160 0.461 1.00 0.35 C ATOM 1294 C GLY A 82 1.039 -8.436 -0.757 1.00 0.31 C ATOM 1295 O GLY A 82 1.660 -7.483 -1.228 1.00 0.34 O ATOM 0 H GLY A 82 2.968 -7.623 0.578 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.879 -10.163 0.178 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.756 -9.274 1.187 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.104 -8.877 -1.262 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.710 -8.259 -2.434 1.00 0.31 C ATOM 1301 C GLU A 83 -2.228 -8.423 -2.411 1.00 0.32 C ATOM 1302 O GLU A 83 -2.780 -9.072 -1.518 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.121 -8.839 -3.726 1.00 0.37 C ATOM 1304 CG GLU A 83 -0.110 -10.357 -3.791 1.00 0.61 C ATOM 1305 CD GLU A 83 0.638 -10.874 -5.002 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.084 -10.820 -6.119 1.00 0.72 O ATOM 1307 OE2 GLU A 83 1.790 -11.326 -4.851 1.00 0.86 O ATOM 0 H GLU A 83 -0.631 -9.661 -0.879 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.483 -7.193 -2.407 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.690 -8.456 -4.573 1.00 0.37 H new ATOM 0 HB3 GLU A 83 0.901 -8.476 -3.839 1.00 0.37 H new ATOM 0 HG2 GLU A 83 0.350 -10.754 -2.886 1.00 0.61 H new ATOM 0 HG3 GLU A 83 -1.136 -10.725 -3.816 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.893 -7.828 -3.394 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.347 -7.883 -3.489 1.00 0.44 C ATOM 1316 C LEU A 84 -4.832 -9.241 -3.980 1.00 0.40 C ATOM 1317 O LEU A 84 -4.085 -9.998 -4.603 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.858 -6.788 -4.431 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.353 -5.507 -3.751 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.549 -5.799 -2.850 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.229 -4.848 -2.961 1.00 0.87 C ATOM 0 H LEU A 84 -2.445 -7.298 -4.142 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.744 -7.723 -2.487 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.057 -6.525 -5.122 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.672 -7.199 -5.029 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.676 -4.813 -4.527 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.883 -4.875 -2.378 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.361 -6.216 -3.446 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.259 -6.515 -2.081 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.602 -3.940 -2.486 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.870 -5.536 -2.196 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.410 -4.595 -3.635 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.097 -9.528 -3.703 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.715 -10.783 -4.110 1.00 0.48 C ATOM 1335 C HIS A 85 -6.943 -10.797 -5.617 1.00 0.42 C ATOM 1336 O HIS A 85 -7.070 -9.739 -6.235 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.047 -10.969 -3.377 1.00 0.61 C ATOM 1338 CG HIS A 85 -7.937 -11.773 -2.117 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -8.806 -12.792 -1.799 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.058 -11.701 -1.091 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.468 -13.310 -0.633 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.408 -12.666 -0.181 1.00 1.10 N ATOM 0 H HIS A 85 -6.720 -8.902 -3.193 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.047 -11.604 -3.851 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.459 -9.989 -3.137 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.755 -11.456 -4.047 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -6.232 -11.010 -1.004 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -8.973 -14.123 -0.133 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -6.929 -12.855 0.699 1.00 1.10 H new ATOM 1351 N PRO A 86 -6.985 -11.991 -6.233 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.205 -12.129 -7.678 1.00 0.44 C ATOM 1353 C PRO A 86 -8.544 -11.546 -8.123 1.00 0.40 C ATOM 1354 O PRO A 86 -8.642 -10.933 -9.190 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.177 -13.646 -7.916 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.383 -14.262 -6.576 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.796 -13.301 -5.583 1.00 0.53 C ATOM 0 HA PRO A 86 -6.452 -11.585 -8.249 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.960 -13.949 -8.612 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.227 -13.958 -8.350 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.443 -14.426 -6.381 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.894 -15.234 -6.514 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.308 -13.352 -4.622 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.743 -13.509 -5.395 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.568 -11.725 -7.295 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.903 -11.224 -7.604 1.00 0.43 C ATOM 1367 C ASP A 87 -10.929 -9.700 -7.597 1.00 0.41 C ATOM 1368 O ASP A 87 -11.611 -9.077 -8.407 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.935 -11.768 -6.609 1.00 0.55 C ATOM 1370 CG ASP A 87 -12.267 -13.228 -6.853 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -12.684 -13.570 -7.981 1.00 1.30 O ATOM 1372 OD2 ASP A 87 -12.124 -14.040 -5.913 1.00 1.28 O ATOM 0 H ASP A 87 -9.499 -12.214 -6.403 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.163 -11.572 -8.604 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.553 -11.651 -5.595 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.847 -11.175 -6.677 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.167 -9.104 -6.689 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.096 -7.648 -6.575 1.00 0.50 C ATOM 1379 C ASP A 88 -9.045 -7.088 -7.528 1.00 0.49 C ATOM 1380 O ASP A 88 -8.681 -5.915 -7.455 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.746 -7.232 -5.140 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.710 -7.788 -4.113 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -10.584 -8.981 -3.759 1.00 1.20 O ATOM 1384 OD2 ASP A 88 -11.589 -7.037 -3.644 1.00 1.22 O ATOM 0 H ASP A 88 -9.586 -9.606 -6.017 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.074 -7.245 -6.837 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.737 -7.571 -4.905 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.740 -6.144 -5.074 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.562 -7.933 -8.426 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.545 -7.527 -9.381 1.00 0.51 C ATOM 1391 C ARG A 89 -8.047 -7.660 -10.816 1.00 0.57 C ATOM 1392 O ARG A 89 -7.992 -6.711 -11.593 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.286 -8.373 -9.188 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.057 -7.816 -9.885 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.878 -8.769 -9.770 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.629 -9.178 -8.384 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.436 -9.551 -7.920 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.373 -9.529 -8.713 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.306 -9.938 -6.659 1.00 0.81 N ATOM 0 H ARG A 89 -8.859 -8.905 -8.513 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.311 -6.478 -9.202 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.079 -8.460 -8.121 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.477 -9.380 -9.559 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.282 -7.638 -10.936 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.793 -6.853 -9.448 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.067 -9.653 -10.379 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -2.985 -8.290 -10.171 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.416 -9.177 -7.735 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.466 -9.226 -9.682 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.462 -9.815 -8.353 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.119 -9.951 -6.043 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.393 -10.223 -6.305 1.00 0.81 H new ATOM 1413 N SER A 90 -8.547 -8.835 -11.159 1.00 0.50 N ATOM 1414 CA SER A 90 -9.031 -9.081 -12.508 1.00 0.59 C ATOM 1415 C SER A 90 -10.496 -9.506 -12.514 1.00 0.57 C ATOM 1416 O SER A 90 -10.857 -10.488 -13.160 1.00 0.88 O ATOM 1417 CB SER A 90 -8.167 -10.151 -13.177 1.00 0.71 C ATOM 1418 OG SER A 90 -6.794 -9.794 -13.131 1.00 1.16 O ATOM 0 H SER A 90 -8.629 -9.631 -10.526 1.00 0.50 H new ATOM 0 HA SER A 90 -8.959 -8.149 -13.068 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.315 -11.108 -12.678 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.479 -10.281 -14.213 1.00 0.71 H new ATOM 0 HG SER A 90 -6.260 -10.493 -13.563 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.338 -8.773 -11.796 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.764 -9.083 -11.746 1.00 0.49 C ATOM 1426 C LYS A 91 -13.550 -7.920 -11.152 1.00 0.51 C ATOM 1427 O LYS A 91 -14.397 -7.332 -11.825 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.010 -10.366 -10.940 1.00 0.47 C ATOM 1429 CG LYS A 91 -13.742 -11.447 -11.722 1.00 1.02 C ATOM 1430 CD LYS A 91 -13.666 -12.797 -11.024 1.00 1.09 C ATOM 1431 CE LYS A 91 -12.309 -13.455 -11.225 1.00 1.24 C ATOM 1432 NZ LYS A 91 -12.130 -14.636 -10.342 1.00 1.76 N ATOM 0 H LYS A 91 -11.061 -7.963 -11.242 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.112 -9.245 -12.766 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.052 -10.761 -10.600 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.588 -10.120 -10.049 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -14.786 -11.161 -11.848 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -13.311 -11.529 -12.720 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -13.854 -12.667 -9.958 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -14.449 -13.451 -11.409 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.204 -13.761 -12.266 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -11.521 -12.729 -11.025 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -11.116 -14.850 -10.249 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -12.528 -14.431 -9.403 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -12.620 -15.455 -10.754 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.257 -7.591 -9.893 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.923 -6.493 -9.180 1.00 0.55 C ATOM 1448 C LEU A 92 -15.409 -6.787 -8.988 1.00 0.58 C ATOM 1449 O LEU A 92 -16.227 -5.873 -8.878 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.742 -5.155 -9.919 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.426 -4.410 -9.649 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.186 -4.267 -8.152 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.250 -5.115 -10.311 1.00 0.90 C ATOM 0 H LEU A 92 -12.553 -8.076 -9.337 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.454 -6.410 -8.200 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.818 -5.341 -10.990 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.570 -4.499 -9.650 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.511 -3.414 -10.083 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.249 -3.737 -7.983 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.006 -3.706 -7.704 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.131 -5.256 -7.696 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.332 -4.565 -10.103 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.164 -6.127 -9.917 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.411 -5.158 -11.388 1.00 0.90 H new ATOM 1465 N SER A 93 -15.749 -8.065 -8.929 1.00 0.52 N ATOM 1466 CA SER A 93 -17.134 -8.489 -8.755 1.00 0.57 C ATOM 1467 C SER A 93 -17.513 -8.547 -7.275 1.00 0.58 C ATOM 1468 O SER A 93 -17.828 -9.614 -6.742 1.00 0.70 O ATOM 1469 CB SER A 93 -17.332 -9.861 -9.405 1.00 0.62 C ATOM 1470 OG SER A 93 -16.452 -10.025 -10.506 1.00 0.70 O ATOM 0 H SER A 93 -15.082 -8.833 -8.999 1.00 0.52 H new ATOM 0 HA SER A 93 -17.784 -7.758 -9.237 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.154 -10.646 -8.670 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.364 -9.965 -9.739 1.00 0.62 H new ATOM 0 HG SER A 93 -16.789 -10.735 -11.092 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.477 -7.397 -6.615 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.815 -7.309 -5.199 1.00 0.60 C ATOM 1478 C LYS A 94 -18.616 -6.040 -4.923 1.00 0.71 C ATOM 1479 O LYS A 94 -18.315 -4.979 -5.472 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.540 -7.324 -4.343 1.00 0.56 C ATOM 1481 CG LYS A 94 -15.953 -8.713 -4.136 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.510 -8.654 -3.646 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.409 -8.133 -2.220 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.005 -8.134 -1.726 1.00 0.93 N ATOM 0 H LYS A 94 -17.216 -6.507 -7.040 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.424 -8.173 -4.935 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.790 -6.690 -4.815 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.762 -6.885 -3.370 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.559 -9.259 -3.414 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -15.996 -9.268 -5.073 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.069 -9.649 -3.700 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -13.929 -8.012 -4.308 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -14.809 -7.120 -2.175 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.025 -8.749 -1.564 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.951 -7.605 -0.832 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.693 -9.114 -1.568 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.388 -7.684 -2.432 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.672 -6.135 -4.099 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.498 -4.978 -3.741 1.00 0.92 C ATOM 1500 C PRO A 95 -19.771 -4.061 -2.760 1.00 0.95 C ATOM 1501 O PRO A 95 -19.127 -4.536 -1.822 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.727 -5.608 -3.082 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.246 -6.908 -2.539 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.154 -7.378 -3.464 1.00 0.84 C ATOM 0 HA PRO A 95 -20.743 -4.355 -4.601 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.121 -4.971 -2.290 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.531 -5.754 -3.803 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.870 -6.789 -1.523 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.057 -7.635 -2.495 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.357 -7.884 -2.918 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.532 -8.084 -4.203 1.00 0.84 H new ATOM 1512 N MET A 96 -19.876 -2.752 -2.967 1.00 1.06 N ATOM 1513 CA MET A 96 -19.204 -1.798 -2.092 1.00 1.14 C ATOM 1514 C MET A 96 -20.148 -1.286 -1.009 1.00 1.16 C ATOM 1515 O MET A 96 -19.880 -1.477 0.176 1.00 1.25 O ATOM 1516 CB MET A 96 -18.639 -0.626 -2.893 1.00 1.31 C ATOM 1517 CG MET A 96 -17.653 0.229 -2.106 1.00 1.38 C ATOM 1518 SD MET A 96 -16.657 1.301 -3.160 1.00 1.63 S ATOM 1519 CE MET A 96 -17.924 2.343 -3.878 1.00 1.94 C ATOM 0 H MET A 96 -20.414 -2.331 -3.725 1.00 1.06 H new ATOM 0 HA MET A 96 -18.378 -2.320 -1.610 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.143 -1.011 -3.784 1.00 1.31 H new ATOM 0 HB3 MET A 96 -19.462 0.002 -3.232 1.00 1.31 H new ATOM 0 HG2 MET A 96 -18.201 0.840 -1.389 1.00 1.38 H new ATOM 0 HG3 MET A 96 -16.994 -0.422 -1.531 1.00 1.38 H new ATOM 0 HE1 MET A 96 -17.456 3.128 -4.472 1.00 1.94 H new ATOM 0 HE2 MET A 96 -18.571 1.742 -4.517 1.00 1.94 H new ATOM 0 HE3 MET A 96 -18.517 2.795 -3.083 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.248 -0.650 -1.431 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.251 -0.097 -0.511 1.00 1.22 C ATOM 1531 C GLU A 97 -21.681 1.081 0.284 1.00 1.29 C ATOM 1532 O GLU A 97 -20.822 0.907 1.152 1.00 1.36 O ATOM 1533 CB GLU A 97 -22.776 -1.174 0.446 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.045 -0.770 1.176 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.247 -0.734 0.260 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -25.889 -1.792 0.077 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -25.551 0.346 -0.288 1.00 2.57 O ATOM 0 H GLU A 97 -21.468 -0.504 -2.416 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.083 0.264 -1.115 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -22.966 -2.088 -0.117 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.003 -1.406 1.179 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.232 -1.471 1.990 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -23.905 0.212 1.627 1.00 1.50 H new ATOM 1544 N THR A 98 -22.166 2.281 -0.008 1.00 1.31 N ATOM 1545 CA THR A 98 -21.688 3.473 0.674 1.00 1.40 C ATOM 1546 C THR A 98 -22.632 4.654 0.453 1.00 1.39 C ATOM 1547 O THR A 98 -23.587 4.558 -0.321 1.00 1.35 O ATOM 1548 CB THR A 98 -20.263 3.844 0.200 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.746 4.927 0.979 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.256 4.226 -1.273 1.00 1.37 C ATOM 0 H THR A 98 -22.887 2.453 -0.709 1.00 1.31 H new ATOM 0 HA THR A 98 -21.659 3.249 1.740 1.00 1.40 H new ATOM 0 HB THR A 98 -19.629 2.967 0.334 1.00 1.43 H new ATOM 0 HG1 THR A 98 -18.843 5.151 0.670 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.241 4.482 -1.578 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.613 3.386 -1.869 1.00 1.37 H new ATOM 0 HG23 THR A 98 -20.909 5.085 -1.429 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.349 5.759 1.150 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.133 6.990 1.060 1.00 1.48 C ATOM 1560 C LEU A 99 -24.594 6.760 1.438 1.00 1.52 C ATOM 1561 O LEU A 99 -25.498 7.384 0.879 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.031 7.586 -0.349 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.637 8.081 -0.751 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.608 8.456 -2.222 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.217 9.270 0.105 1.00 1.61 C ATOM 0 H LEU A 99 -21.563 5.822 1.797 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.717 7.699 1.776 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.353 6.833 -1.068 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.730 8.419 -0.425 1.00 1.43 H new ATOM 0 HG LEU A 99 -20.929 7.270 -0.584 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.610 8.805 -2.489 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.861 7.584 -2.825 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.332 9.249 -2.410 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.225 9.604 -0.198 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.930 10.084 -0.027 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.195 8.974 1.154 1.00 1.61 H new ATOM 1577 N ILE A 100 -24.825 5.873 2.396 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.183 5.579 2.839 1.00 1.68 C ATOM 1579 C ILE A 100 -26.505 6.312 4.137 1.00 1.72 C ATOM 1580 O ILE A 100 -27.632 6.258 4.630 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.414 4.065 3.038 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.409 3.485 4.037 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.325 3.340 1.706 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.741 2.079 4.489 1.00 1.79 C ATOM 0 H ILE A 100 -24.096 5.347 2.879 1.00 1.60 H new ATOM 0 HA ILE A 100 -26.849 5.927 2.049 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.414 3.921 3.447 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.418 3.487 3.584 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.361 4.136 4.910 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.490 2.274 1.860 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.084 3.730 1.028 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.337 3.495 1.272 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.985 1.736 5.195 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.718 2.073 4.972 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.760 1.414 3.626 1.00 1.79 H new ATOM 1596 N THR A 101 -25.512 7.000 4.680 1.00 1.73 N ATOM 1597 CA THR A 101 -25.682 7.744 5.916 1.00 1.77 C ATOM 1598 C THR A 101 -25.422 9.230 5.686 1.00 1.85 C ATOM 1599 O THR A 101 -24.356 9.612 5.202 1.00 1.80 O ATOM 1600 CB THR A 101 -24.730 7.222 7.012 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.823 5.793 7.103 1.00 1.85 O ATOM 1602 CG2 THR A 101 -25.061 7.846 8.361 1.00 1.98 C ATOM 0 H THR A 101 -24.575 7.058 4.280 1.00 1.73 H new ATOM 0 HA THR A 101 -26.711 7.604 6.247 1.00 1.77 H new ATOM 0 HB THR A 101 -23.712 7.502 6.742 1.00 1.70 H new ATOM 0 HG1 THR A 101 -24.214 5.469 7.800 1.00 1.85 H new ATOM 0 HG21 THR A 101 -24.376 7.462 9.117 1.00 1.98 H new ATOM 0 HG22 THR A 101 -24.959 8.929 8.296 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.085 7.594 8.637 1.00 1.98 H new ATOM 1610 N THR A 102 -26.408 10.057 6.011 1.00 2.05 N ATOM 1611 CA THR A 102 -26.285 11.494 5.851 1.00 2.18 C ATOM 1612 C THR A 102 -25.382 12.073 6.938 1.00 2.11 C ATOM 1613 O THR A 102 -25.691 11.984 8.129 1.00 2.23 O ATOM 1614 CB THR A 102 -27.670 12.160 5.908 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.677 11.199 5.558 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.746 13.343 4.952 1.00 2.72 C ATOM 0 H THR A 102 -27.305 9.751 6.389 1.00 2.05 H new ATOM 0 HA THR A 102 -25.838 11.696 4.877 1.00 2.18 H new ATOM 0 HB THR A 102 -27.836 12.524 6.922 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.560 11.622 5.596 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.736 13.796 5.012 1.00 2.72 H new ATOM 0 HG22 THR A 102 -26.992 14.081 5.226 1.00 2.72 H new ATOM 0 HG23 THR A 102 -27.565 13.000 3.933 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.258 12.642 6.524 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.301 13.221 7.461 1.00 2.08 C ATOM 1626 C VAL A 103 -23.184 14.730 7.282 1.00 2.14 C ATOM 1627 O VAL A 103 -22.310 15.370 7.871 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.901 12.584 7.303 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.951 11.091 7.606 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.347 12.841 5.905 1.00 1.94 C ATOM 0 H VAL A 103 -23.985 12.716 5.544 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.680 13.011 8.461 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.228 13.051 8.023 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -20.956 10.662 7.489 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -22.294 10.939 8.630 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.640 10.603 6.917 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.361 12.385 5.815 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.017 12.407 5.163 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.266 13.915 5.737 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.069 15.298 6.479 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.063 16.731 6.228 1.00 2.30 C ATOM 1642 C ASP A 104 -25.491 17.242 6.174 1.00 2.65 C ATOM 1643 O ASP A 104 -25.710 18.441 6.439 1.00 2.86 O ATOM 1644 CB ASP A 104 -23.325 17.071 4.924 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.168 16.844 3.683 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -24.301 15.680 3.247 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -24.697 17.832 3.123 1.00 2.82 O ATOM 0 H ASP A 104 -24.803 14.787 5.988 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.530 17.220 7.044 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -23.009 18.114 4.955 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -22.421 16.465 4.857 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.096 9.785 -3.960 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.541 5.358 -2.218 1.00 0.49 C HETATM 1655 CHC HEM A 400 5.809 5.703 -2.852 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.338 10.204 -4.396 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.361 8.537 -3.453 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.685 8.053 -3.126 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.522 6.810 -2.612 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.105 6.538 -2.640 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.587 5.914 -2.069 1.00 0.63 C HETATM 1662 CAA HEM A 400 13.979 8.778 -3.329 1.00 0.61 C HETATM 1663 CBA HEM A 400 15.037 7.911 -4.019 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.805 8.750 -5.035 1.00 0.91 C HETATM 1665 O1A HEM A 400 16.826 9.355 -4.654 1.00 1.48 O HETATM 1666 O2A HEM A 400 15.384 8.792 -6.208 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.200 5.067 -2.245 1.00 0.46 C HETATM 1668 C2B HEM A 400 8.638 3.818 -1.797 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.300 3.908 -1.985 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.055 5.215 -2.547 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.384 2.660 -1.231 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.356 2.940 -1.691 1.00 0.55 C HETATM 1673 CBB HEM A 400 4.999 3.211 -1.033 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.542 6.958 -3.338 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.219 7.457 -3.607 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.365 8.736 -4.021 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.780 9.008 -4.018 1.00 0.36 C HETATM 1678 CMC HEM A 400 2.939 6.702 -3.467 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.354 9.618 -4.349 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.144 9.916 -3.459 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.686 10.478 -4.415 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.251 11.738 -4.832 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.595 11.609 -4.731 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.843 10.278 -4.237 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.503 12.953 -5.270 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.620 12.627 -5.103 1.00 0.55 C HETATM 1687 CBD HEM A 400 11.407 12.228 -6.358 1.00 0.70 C HETATM 1688 CGD HEM A 400 11.456 13.407 -7.323 1.00 1.09 C HETATM 1689 O1D HEM A 400 11.890 13.216 -8.475 1.00 1.52 O HETATM 1690 O2D HEM A 400 11.071 14.524 -6.915 1.00 1.79 O HETATM 1691 NA HEM A 400 10.394 7.600 -3.155 1.00 0.42 N HETATM 1692 NB HEM A 400 8.226 5.925 -2.701 1.00 0.40 N HETATM 1693 NC HEM A 400 6.503 7.911 -3.596 1.00 0.35 N HETATM 1694 ND HEM A 400 8.669 9.583 -4.043 1.00 0.37 N HETATM 1695 FE HEM A 400 8.449 7.745 -3.399 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.177 5.312 -1.258 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.413 6.517 -1.692 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 13.949 5.258 -2.861 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.386 2.629 -1.658 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 8.858 1.736 -1.472 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.454 2.766 -0.148 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.119 5.643 -3.651 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.214 7.078 -4.189 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.548 6.833 -2.458 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 6.564 12.654 -5.737 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 8.104 13.511 -5.988 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 7.294 13.583 -4.405 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 4.314 2.386 -0.837 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 4.719 4.229 -0.761 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.386 10.627 -3.789 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 2.040 9.417 -2.495 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.561 7.066 -4.516 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 15.724 7.500 -3.279 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.360 9.111 -2.364 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.801 9.672 -3.927 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.936 11.370 -6.838 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 12.418 11.925 -6.085 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.311 12.764 -4.271 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 10.131 13.586 -5.273 1.00 0.55 H new HETATM 0 HHA HEM A 400 11.939 10.431 -4.157 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.206 4.599 -1.834 1.00 0.49 H new HETATM 0 HHC HEM A 400 4.968 5.044 -2.696 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.666 10.992 -4.703 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.596 1.908 -1.947 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.422 10.137 -5.305 1.00 0.45 H new