USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 978 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -163:sc= -0.234 (180deg=-0.0701) USER MOD Set 1.2: A 63 TYR OH : rot 30:sc= 1.24 USER MOD Set 1.3: A 88 SER OG : rot -87:sc= 0.279 USER MOD Set 2.1: A 41 MET CE :methyl -154:sc= -0.285 (180deg=-1.08) USER MOD Set 2.2: A 43 MET CE :methyl -132:sc= -0.015 (180deg=-0.0753) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.742 K(o=-0.74,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.27) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 1.28 (180deg=-0.663) USER MOD Single : A 12 SER OG : rot -36:sc= 0.194 USER MOD Single : A 22 THR OG1 : rot -110:sc= 0 USER MOD Single : A 30 SER OG : rot -66:sc= 1 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.0092 X(o=0.0092,f=-0.31) USER MOD Single : A 36 HIS : no HE2:sc= 0.303 K(o=0.3,f=-5.1!) USER MOD Single : A 38 MET CE :methyl -164:sc= -0.386 (180deg=-1.32!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0.629) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 12:sc= 0.987 USER MOD Single : A 71 GLN : amide:sc= -1.02 K(o=-1,f=-4.7!) USER MOD Single : A 72 THR OG1 : rot 80:sc= 2.18 USER MOD Single : A 73 SER OG : rot 82:sc= 0.27 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -1.15! C(o=-1.1!,f=-2.6!) USER MOD Single : A 91 LYS NZ :NH3+ 151:sc= 0.894 (180deg=-0.516!) USER MOD Single : A 98 LYS NZ :NH3+ -132:sc= 0.111 (180deg=-0.365!) USER MOD Single : A 104 THR OG1 : rot 153:sc= 0.146 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 24:sc= 0.527 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -3.4! K(o=-3.4!,f=-0.51) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 127 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.77) USER MOD Single : A 128 HIS : no HD1:sc= 0.84 K(o=0.84,f=-2.6!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 130 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 131 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0.0042) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.491 2.403 16.004 1.00 72.35 N ATOM 2 CA MET A 1 -1.060 2.057 14.623 1.00 23.10 C ATOM 3 C MET A 1 0.475 1.993 14.532 1.00 51.02 C ATOM 4 O MET A 1 1.148 3.023 14.591 1.00 33.53 O ATOM 5 CB MET A 1 -1.602 3.099 13.627 1.00 51.11 C ATOM 6 CG MET A 1 -1.708 2.593 12.194 1.00 53.40 C ATOM 7 SD MET A 1 -2.964 1.312 12.009 1.00 75.04 S ATOM 8 CE MET A 1 -3.007 1.136 10.226 1.00 74.25 C ATOM 0 H1 MET A 1 -2.530 2.441 16.044 1.00 72.35 H new ATOM 0 H2 MET A 1 -1.145 1.680 16.667 1.00 72.35 H new ATOM 0 H3 MET A 1 -1.100 3.330 16.268 1.00 72.35 H new ATOM 0 HA MET A 1 -1.462 1.076 14.371 1.00 23.10 H new ATOM 0 HB2 MET A 1 -2.587 3.426 13.960 1.00 51.11 H new ATOM 0 HB3 MET A 1 -0.953 3.975 13.645 1.00 51.11 H new ATOM 0 HG2 MET A 1 -1.944 3.427 11.533 1.00 53.40 H new ATOM 0 HG3 MET A 1 -0.742 2.199 11.878 1.00 53.40 H new ATOM 0 HE1 MET A 1 -3.921 0.619 9.933 1.00 74.25 H new ATOM 0 HE2 MET A 1 -2.983 2.122 9.762 1.00 74.25 H new ATOM 0 HE3 MET A 1 -2.143 0.559 9.896 1.00 74.25 H new ATOM 20 N GLU A 2 1.022 0.779 14.409 1.00 31.43 N ATOM 21 CA GLU A 2 2.474 0.590 14.261 1.00 31.12 C ATOM 22 C GLU A 2 3.006 1.317 13.017 1.00 24.21 C ATOM 23 O GLU A 2 2.326 1.378 11.988 1.00 21.32 O ATOM 24 CB GLU A 2 2.816 -0.903 14.150 1.00 43.13 C ATOM 25 CG GLU A 2 2.396 -1.742 15.351 1.00 12.51 C ATOM 26 CD GLU A 2 2.750 -3.214 15.182 1.00 44.54 C ATOM 27 OE1 GLU A 2 1.941 -3.960 14.586 1.00 31.13 O ATOM 28 OE2 GLU A 2 3.842 -3.633 15.635 1.00 61.24 O ATOM 0 H GLU A 2 0.484 -0.088 14.409 1.00 31.43 H new ATOM 0 HA GLU A 2 2.948 1.010 15.148 1.00 31.12 H new ATOM 0 HB2 GLU A 2 2.338 -1.306 13.257 1.00 43.13 H new ATOM 0 HB3 GLU A 2 3.892 -1.006 14.010 1.00 43.13 H new ATOM 0 HG2 GLU A 2 2.880 -1.355 16.248 1.00 12.51 H new ATOM 0 HG3 GLU A 2 1.321 -1.644 15.501 1.00 12.51 H new ATOM 35 N PRO A 3 4.234 1.866 13.087 1.00 45.30 N ATOM 36 CA PRO A 3 4.846 2.568 11.949 1.00 62.11 C ATOM 37 C PRO A 3 5.035 1.651 10.732 1.00 34.33 C ATOM 38 O PRO A 3 4.702 2.021 9.607 1.00 42.41 O ATOM 39 CB PRO A 3 6.205 3.039 12.496 1.00 13.52 C ATOM 40 CG PRO A 3 6.468 2.175 13.686 1.00 22.21 C ATOM 41 CD PRO A 3 5.118 1.849 14.266 1.00 24.33 C ATOM 0 HA PRO A 3 4.219 3.385 11.591 1.00 62.11 H new ATOM 0 HB2 PRO A 3 6.990 2.929 11.748 1.00 13.52 H new ATOM 0 HB3 PRO A 3 6.174 4.093 12.773 1.00 13.52 H new ATOM 0 HG2 PRO A 3 7.000 1.267 13.400 1.00 22.21 H new ATOM 0 HG3 PRO A 3 7.091 2.693 14.415 1.00 22.21 H new ATOM 0 HD2 PRO A 3 5.115 0.876 14.758 1.00 24.33 H new ATOM 0 HD3 PRO A 3 4.811 2.584 15.010 1.00 24.33 H new ATOM 49 N GLN A 4 5.553 0.445 10.969 1.00 3.14 N ATOM 50 CA GLN A 4 5.800 -0.524 9.896 1.00 43.44 C ATOM 51 C GLN A 4 5.039 -1.843 10.143 1.00 64.52 C ATOM 52 O GLN A 4 5.228 -2.500 11.166 1.00 12.14 O ATOM 53 CB GLN A 4 7.307 -0.793 9.770 1.00 65.42 C ATOM 54 CG GLN A 4 8.130 0.456 9.449 1.00 34.03 C ATOM 55 CD GLN A 4 9.617 0.174 9.278 1.00 61.52 C ATOM 56 OE1 GLN A 4 10.308 0.853 8.524 1.00 23.33 O ATOM 57 NE2 GLN A 4 10.131 -0.816 9.981 1.00 35.23 N ATOM 0 H GLN A 4 5.811 0.113 11.898 1.00 3.14 H new ATOM 0 HA GLN A 4 5.432 -0.098 8.963 1.00 43.44 H new ATOM 0 HB2 GLN A 4 7.669 -1.226 10.702 1.00 65.42 H new ATOM 0 HB3 GLN A 4 7.470 -1.536 8.989 1.00 65.42 H new ATOM 0 HG2 GLN A 4 7.746 0.910 8.535 1.00 34.03 H new ATOM 0 HG3 GLN A 4 7.996 1.186 10.248 1.00 34.03 H new ATOM 0 HE21 GLN A 4 9.535 -1.365 10.600 1.00 35.23 H new ATOM 0 HE22 GLN A 4 11.125 -1.033 9.905 1.00 35.23 H new ATOM 66 N SER A 5 4.190 -2.226 9.189 1.00 15.34 N ATOM 67 CA SER A 5 3.360 -3.439 9.306 1.00 41.21 C ATOM 68 C SER A 5 3.929 -4.605 8.482 1.00 1.33 C ATOM 69 O SER A 5 4.434 -4.411 7.377 1.00 63.32 O ATOM 70 CB SER A 5 1.926 -3.147 8.841 1.00 33.12 C ATOM 71 OG SER A 5 1.134 -4.328 8.823 1.00 43.42 O ATOM 0 H SER A 5 4.054 -1.713 8.318 1.00 15.34 H new ATOM 0 HA SER A 5 3.361 -3.730 10.356 1.00 41.21 H new ATOM 0 HB2 SER A 5 1.470 -2.412 9.504 1.00 33.12 H new ATOM 0 HB3 SER A 5 1.948 -2.707 7.844 1.00 33.12 H new ATOM 0 HG SER A 5 0.227 -4.109 8.525 1.00 43.42 H new ATOM 77 N ASP A 6 3.835 -5.817 9.027 1.00 22.33 N ATOM 78 CA ASP A 6 4.287 -7.028 8.331 1.00 43.40 C ATOM 79 C ASP A 6 3.391 -7.359 7.124 1.00 14.30 C ATOM 80 O ASP A 6 2.179 -7.121 7.147 1.00 12.24 O ATOM 81 CB ASP A 6 4.279 -8.221 9.295 1.00 53.45 C ATOM 82 CG ASP A 6 5.147 -8.010 10.522 1.00 53.03 C ATOM 83 OD1 ASP A 6 5.003 -6.966 11.184 1.00 2.30 O ATOM 84 OD2 ASP A 6 5.965 -8.896 10.838 1.00 43.01 O ATOM 0 H ASP A 6 3.448 -5.990 9.955 1.00 22.33 H new ATOM 0 HA ASP A 6 5.298 -6.838 7.971 1.00 43.40 H new ATOM 0 HB2 ASP A 6 3.255 -8.415 9.613 1.00 53.45 H new ATOM 0 HB3 ASP A 6 4.622 -9.109 8.765 1.00 53.45 H new ATOM 89 N ALA A 7 3.989 -7.937 6.087 1.00 41.33 N ATOM 90 CA ALA A 7 3.245 -8.344 4.892 1.00 54.43 C ATOM 91 C ALA A 7 2.234 -9.461 5.203 1.00 20.11 C ATOM 92 O ALA A 7 1.065 -9.375 4.831 1.00 13.32 O ATOM 93 CB ALA A 7 4.212 -8.786 3.801 1.00 61.02 C ATOM 0 H ALA A 7 4.989 -8.136 6.047 1.00 41.33 H new ATOM 0 HA ALA A 7 2.678 -7.482 4.540 1.00 54.43 H new ATOM 0 HB1 ALA A 7 3.650 -9.087 2.917 1.00 61.02 H new ATOM 0 HB2 ALA A 7 4.875 -7.959 3.546 1.00 61.02 H new ATOM 0 HB3 ALA A 7 4.804 -9.629 4.159 1.00 61.02 H new ATOM 99 N HIS A 8 2.688 -10.511 5.895 1.00 43.52 N ATOM 100 CA HIS A 8 1.803 -11.641 6.244 1.00 11.40 C ATOM 101 C HIS A 8 0.690 -11.246 7.229 1.00 52.30 C ATOM 102 O HIS A 8 -0.372 -11.861 7.233 1.00 73.23 O ATOM 103 CB HIS A 8 2.589 -12.857 6.770 1.00 13.30 C ATOM 104 CG HIS A 8 3.845 -12.531 7.518 1.00 14.10 C ATOM 105 ND1 HIS A 8 5.078 -12.990 7.118 1.00 32.50 N ATOM 106 CD2 HIS A 8 4.063 -11.810 8.642 1.00 20.03 C ATOM 107 CE1 HIS A 8 5.997 -12.569 7.954 1.00 4.14 C ATOM 108 NE2 HIS A 8 5.413 -11.850 8.893 1.00 34.02 N ATOM 0 H HIS A 8 3.649 -10.608 6.223 1.00 43.52 H new ATOM 0 HA HIS A 8 1.320 -11.932 5.311 1.00 11.40 H new ATOM 0 HB2 HIS A 8 1.936 -13.436 7.423 1.00 13.30 H new ATOM 0 HB3 HIS A 8 2.844 -13.497 5.926 1.00 13.30 H new ATOM 0 HD2 HIS A 8 3.316 -11.299 9.231 1.00 20.03 H new ATOM 0 HE1 HIS A 8 7.055 -12.776 7.885 1.00 4.14 H new ATOM 0 HE2 HIS A 8 5.886 -11.398 9.676 1.00 34.02 H new ATOM 117 N VAL A 9 0.922 -10.232 8.058 1.00 22.21 N ATOM 118 CA VAL A 9 -0.141 -9.713 8.926 1.00 12.25 C ATOM 119 C VAL A 9 -1.256 -9.087 8.078 1.00 31.32 C ATOM 120 O VAL A 9 -2.441 -9.336 8.297 1.00 15.51 O ATOM 121 CB VAL A 9 0.400 -8.672 9.938 1.00 34.12 C ATOM 122 CG1 VAL A 9 -0.740 -8.045 10.741 1.00 65.24 C ATOM 123 CG2 VAL A 9 1.426 -9.317 10.868 1.00 51.42 C ATOM 0 H VAL A 9 1.820 -9.757 8.150 1.00 22.21 H new ATOM 0 HA VAL A 9 -0.542 -10.553 9.494 1.00 12.25 H new ATOM 0 HB VAL A 9 0.892 -7.876 9.379 1.00 34.12 H new ATOM 0 HG11 VAL A 9 -0.333 -7.318 11.444 1.00 65.24 H new ATOM 0 HG12 VAL A 9 -1.431 -7.546 10.062 1.00 65.24 H new ATOM 0 HG13 VAL A 9 -1.269 -8.824 11.290 1.00 65.24 H new ATOM 0 HG21 VAL A 9 1.797 -8.573 11.573 1.00 51.42 H new ATOM 0 HG22 VAL A 9 0.957 -10.134 11.416 1.00 51.42 H new ATOM 0 HG23 VAL A 9 2.257 -9.705 10.279 1.00 51.42 H new ATOM 133 N LEU A 10 -0.857 -8.296 7.089 1.00 31.51 N ATOM 134 CA LEU A 10 -1.798 -7.713 6.132 1.00 61.42 C ATOM 135 C LEU A 10 -2.496 -8.820 5.312 1.00 24.05 C ATOM 136 O LEU A 10 -3.705 -8.772 5.073 1.00 43.54 O ATOM 137 CB LEU A 10 -1.044 -6.747 5.203 1.00 33.14 C ATOM 138 CG LEU A 10 -1.920 -5.897 4.276 1.00 0.43 C ATOM 139 CD1 LEU A 10 -2.823 -4.976 5.089 1.00 45.05 C ATOM 140 CD2 LEU A 10 -1.058 -5.095 3.302 1.00 42.24 C ATOM 0 H LEU A 10 0.117 -8.041 6.926 1.00 31.51 H new ATOM 0 HA LEU A 10 -2.567 -7.163 6.675 1.00 61.42 H new ATOM 0 HB2 LEU A 10 -0.441 -6.078 5.817 1.00 33.14 H new ATOM 0 HB3 LEU A 10 -0.354 -7.326 4.590 1.00 33.14 H new ATOM 0 HG LEU A 10 -2.553 -6.566 3.693 1.00 0.43 H new ATOM 0 HD11 LEU A 10 -3.438 -4.380 4.414 1.00 45.05 H new ATOM 0 HD12 LEU A 10 -3.467 -5.574 5.734 1.00 45.05 H new ATOM 0 HD13 LEU A 10 -2.211 -4.314 5.702 1.00 45.05 H new ATOM 0 HD21 LEU A 10 -1.700 -4.499 2.654 1.00 42.24 H new ATOM 0 HD22 LEU A 10 -0.395 -4.435 3.861 1.00 42.24 H new ATOM 0 HD23 LEU A 10 -0.463 -5.778 2.695 1.00 42.24 H new ATOM 152 N LYS A 11 -1.715 -9.824 4.909 1.00 2.23 N ATOM 153 CA LYS A 11 -2.216 -10.958 4.117 1.00 32.45 C ATOM 154 C LYS A 11 -3.266 -11.786 4.882 1.00 55.22 C ATOM 155 O LYS A 11 -4.339 -12.090 4.351 1.00 62.55 O ATOM 156 CB LYS A 11 -1.036 -11.858 3.702 1.00 52.24 C ATOM 157 CG LYS A 11 -1.436 -13.065 2.858 1.00 51.34 C ATOM 158 CD LYS A 11 -0.268 -14.029 2.648 1.00 33.33 C ATOM 159 CE LYS A 11 -0.745 -15.379 2.118 1.00 2.20 C ATOM 160 NZ LYS A 11 0.342 -16.394 2.103 1.00 44.42 N ATOM 0 H LYS A 11 -0.719 -9.878 5.120 1.00 2.23 H new ATOM 0 HA LYS A 11 -2.707 -10.553 3.232 1.00 32.45 H new ATOM 0 HB2 LYS A 11 -0.317 -11.260 3.142 1.00 52.24 H new ATOM 0 HB3 LYS A 11 -0.528 -12.209 4.600 1.00 52.24 H new ATOM 0 HG2 LYS A 11 -2.258 -13.591 3.344 1.00 51.34 H new ATOM 0 HG3 LYS A 11 -1.804 -12.725 1.890 1.00 51.34 H new ATOM 0 HD2 LYS A 11 0.444 -13.593 1.947 1.00 33.33 H new ATOM 0 HD3 LYS A 11 0.260 -14.173 3.591 1.00 33.33 H new ATOM 0 HE2 LYS A 11 -1.568 -15.740 2.736 1.00 2.20 H new ATOM 0 HE3 LYS A 11 -1.136 -15.253 1.108 1.00 2.20 H new ATOM 0 HZ1 LYS A 11 0.347 -16.884 1.186 1.00 44.42 H new ATOM 0 HZ2 LYS A 11 1.258 -15.924 2.249 1.00 44.42 H new ATOM 0 HZ3 LYS A 11 0.182 -17.085 2.864 1.00 44.42 H new ATOM 174 N SER A 12 -2.964 -12.135 6.133 1.00 25.52 N ATOM 175 CA SER A 12 -3.866 -12.974 6.937 1.00 50.10 C ATOM 176 C SER A 12 -5.192 -12.257 7.197 1.00 24.10 C ATOM 177 O SER A 12 -6.253 -12.872 7.198 1.00 73.33 O ATOM 178 CB SER A 12 -3.224 -13.358 8.277 1.00 3.35 C ATOM 179 OG SER A 12 -3.066 -12.227 9.124 1.00 41.54 O ATOM 0 H SER A 12 -2.109 -11.854 6.613 1.00 25.52 H new ATOM 0 HA SER A 12 -4.056 -13.882 6.365 1.00 50.10 H new ATOM 0 HB2 SER A 12 -3.842 -14.104 8.777 1.00 3.35 H new ATOM 0 HB3 SER A 12 -2.252 -13.817 8.097 1.00 3.35 H new ATOM 0 HG SER A 12 -2.839 -11.442 8.583 1.00 41.54 H new ATOM 185 N ARG A 13 -5.122 -10.953 7.423 1.00 54.23 N ATOM 186 CA ARG A 13 -6.322 -10.139 7.626 1.00 63.53 C ATOM 187 C ARG A 13 -7.115 -9.975 6.324 1.00 53.21 C ATOM 188 O ARG A 13 -8.340 -9.926 6.336 1.00 72.41 O ATOM 189 CB ARG A 13 -5.931 -8.773 8.192 1.00 73.41 C ATOM 190 CG ARG A 13 -5.268 -8.868 9.560 1.00 21.14 C ATOM 191 CD ARG A 13 -4.510 -7.596 9.916 1.00 3.34 C ATOM 192 NE ARG A 13 -5.400 -6.441 10.069 1.00 43.13 N ATOM 193 CZ ARG A 13 -4.995 -5.197 10.093 1.00 22.20 C ATOM 194 NH1 ARG A 13 -3.737 -4.909 10.021 1.00 43.42 N ATOM 195 NH2 ARG A 13 -5.859 -4.239 10.212 1.00 44.33 N ATOM 0 H ARG A 13 -4.247 -10.431 7.471 1.00 54.23 H new ATOM 0 HA ARG A 13 -6.967 -10.652 8.340 1.00 63.53 H new ATOM 0 HB2 ARG A 13 -5.252 -8.278 7.498 1.00 73.41 H new ATOM 0 HB3 ARG A 13 -6.821 -8.148 8.267 1.00 73.41 H new ATOM 0 HG2 ARG A 13 -6.027 -9.062 10.318 1.00 21.14 H new ATOM 0 HG3 ARG A 13 -4.582 -9.715 9.572 1.00 21.14 H new ATOM 0 HD2 ARG A 13 -3.959 -7.752 10.843 1.00 3.34 H new ATOM 0 HD3 ARG A 13 -3.775 -7.385 9.140 1.00 3.34 H new ATOM 0 HE ARG A 13 -6.400 -6.619 10.163 1.00 43.13 H new ATOM 0 HH11 ARG A 13 -3.046 -5.656 9.944 1.00 43.42 H new ATOM 0 HH12 ARG A 13 -3.435 -3.935 10.041 1.00 43.42 H new ATOM 0 HH21 ARG A 13 -6.853 -4.455 10.287 1.00 44.33 H new ATOM 0 HH22 ARG A 13 -5.545 -3.269 10.231 1.00 44.33 H new ATOM 209 N LEU A 14 -6.411 -9.882 5.207 1.00 61.21 N ATOM 210 CA LEU A 14 -7.057 -9.796 3.894 1.00 31.22 C ATOM 211 C LEU A 14 -7.866 -11.074 3.588 1.00 34.24 C ATOM 212 O LEU A 14 -9.037 -11.006 3.210 1.00 32.24 O ATOM 213 CB LEU A 14 -5.993 -9.550 2.804 1.00 42.23 C ATOM 214 CG LEU A 14 -6.481 -8.802 1.546 1.00 11.32 C ATOM 215 CD1 LEU A 14 -5.307 -8.433 0.643 1.00 2.53 C ATOM 216 CD2 LEU A 14 -7.516 -9.621 0.771 1.00 74.23 C ATOM 0 H LEU A 14 -5.392 -9.864 5.177 1.00 61.21 H new ATOM 0 HA LEU A 14 -7.755 -8.959 3.904 1.00 31.22 H new ATOM 0 HB2 LEU A 14 -5.173 -8.984 3.245 1.00 42.23 H new ATOM 0 HB3 LEU A 14 -5.586 -10.513 2.496 1.00 42.23 H new ATOM 0 HG LEU A 14 -6.964 -7.884 1.879 1.00 11.32 H new ATOM 0 HD11 LEU A 14 -5.676 -7.907 -0.237 1.00 2.53 H new ATOM 0 HD12 LEU A 14 -4.617 -7.789 1.188 1.00 2.53 H new ATOM 0 HD13 LEU A 14 -4.788 -9.340 0.332 1.00 2.53 H new ATOM 0 HD21 LEU A 14 -7.837 -9.063 -0.109 1.00 74.23 H new ATOM 0 HD22 LEU A 14 -7.072 -10.566 0.459 1.00 74.23 H new ATOM 0 HD23 LEU A 14 -8.377 -9.818 1.410 1.00 74.23 H new ATOM 228 N GLU A 15 -7.237 -12.232 3.766 1.00 11.54 N ATOM 229 CA GLU A 15 -7.871 -13.519 3.446 1.00 12.41 C ATOM 230 C GLU A 15 -8.747 -14.045 4.602 1.00 70.22 C ATOM 231 O GLU A 15 -9.914 -14.388 4.407 1.00 23.54 O ATOM 232 CB GLU A 15 -6.797 -14.559 3.100 1.00 24.14 C ATOM 233 CG GLU A 15 -5.873 -14.143 1.959 1.00 53.22 C ATOM 234 CD GLU A 15 -4.872 -15.230 1.598 1.00 23.41 C ATOM 235 OE1 GLU A 15 -3.921 -15.447 2.373 1.00 2.51 O ATOM 236 OE2 GLU A 15 -5.045 -15.885 0.550 1.00 72.34 O ATOM 0 H GLU A 15 -6.288 -12.312 4.130 1.00 11.54 H new ATOM 0 HA GLU A 15 -8.523 -13.353 2.588 1.00 12.41 H new ATOM 0 HB2 GLU A 15 -6.196 -14.754 3.988 1.00 24.14 H new ATOM 0 HB3 GLU A 15 -7.286 -15.496 2.834 1.00 24.14 H new ATOM 0 HG2 GLU A 15 -6.471 -13.898 1.081 1.00 53.22 H new ATOM 0 HG3 GLU A 15 -5.336 -13.238 2.242 1.00 53.22 H new ATOM 243 N TRP A 16 -8.172 -14.117 5.802 1.00 51.51 N ATOM 244 CA TRP A 16 -8.865 -14.673 6.977 1.00 71.41 C ATOM 245 C TRP A 16 -9.629 -13.586 7.754 1.00 42.31 C ATOM 246 O TRP A 16 -10.847 -13.671 7.926 1.00 5.42 O ATOM 247 CB TRP A 16 -7.853 -15.350 7.920 1.00 20.31 C ATOM 248 CG TRP A 16 -7.002 -16.397 7.262 1.00 61.44 C ATOM 249 CD1 TRP A 16 -6.057 -16.196 6.299 1.00 32.03 C ATOM 250 CD2 TRP A 16 -7.003 -17.804 7.532 1.00 2.21 C ATOM 251 NE1 TRP A 16 -5.482 -17.389 5.946 1.00 70.35 N ATOM 252 CE2 TRP A 16 -6.041 -18.392 6.692 1.00 41.41 C ATOM 253 CE3 TRP A 16 -7.726 -18.620 8.402 1.00 1.13 C ATOM 254 CZ2 TRP A 16 -5.785 -19.761 6.695 1.00 22.12 C ATOM 255 CZ3 TRP A 16 -7.471 -19.979 8.408 1.00 30.52 C ATOM 256 CH2 TRP A 16 -6.507 -20.536 7.560 1.00 13.31 C ATOM 0 H TRP A 16 -7.223 -13.797 5.992 1.00 51.51 H new ATOM 0 HA TRP A 16 -9.584 -15.407 6.613 1.00 71.41 H new ATOM 0 HB2 TRP A 16 -7.203 -14.586 8.346 1.00 20.31 H new ATOM 0 HB3 TRP A 16 -8.395 -15.806 8.748 1.00 20.31 H new ATOM 0 HD1 TRP A 16 -5.799 -15.236 5.876 1.00 32.03 H new ATOM 0 HE1 TRP A 16 -4.755 -17.510 5.241 1.00 70.35 H new ATOM 0 HE3 TRP A 16 -8.472 -18.198 9.059 1.00 1.13 H new ATOM 0 HZ2 TRP A 16 -5.044 -20.194 6.039 1.00 22.12 H new ATOM 0 HZ3 TRP A 16 -8.024 -20.621 9.078 1.00 30.52 H new ATOM 0 HH2 TRP A 16 -6.329 -21.601 7.589 1.00 13.31 H new ATOM 267 N GLY A 17 -8.891 -12.579 8.227 1.00 72.41 N ATOM 268 CA GLY A 17 -9.464 -11.511 9.047 1.00 43.43 C ATOM 269 C GLY A 17 -10.657 -10.801 8.405 1.00 62.24 C ATOM 270 O GLY A 17 -11.792 -11.281 8.466 1.00 12.35 O ATOM 0 H GLY A 17 -7.890 -12.482 8.055 1.00 72.41 H new ATOM 0 HA2 GLY A 17 -9.776 -11.930 10.004 1.00 43.43 H new ATOM 0 HA3 GLY A 17 -8.688 -10.775 9.259 1.00 43.43 H new ATOM 274 N GLU A 18 -10.393 -9.648 7.800 1.00 55.13 N ATOM 275 CA GLU A 18 -11.417 -8.870 7.101 1.00 21.34 C ATOM 276 C GLU A 18 -10.776 -7.734 6.284 1.00 13.13 C ATOM 277 O GLU A 18 -10.130 -6.845 6.843 1.00 73.41 O ATOM 278 CB GLU A 18 -12.438 -8.299 8.095 1.00 61.42 C ATOM 279 CG GLU A 18 -13.539 -7.473 7.436 1.00 51.42 C ATOM 280 CD GLU A 18 -14.686 -7.172 8.385 1.00 62.42 C ATOM 281 OE1 GLU A 18 -15.573 -8.038 8.538 1.00 54.52 O ATOM 282 OE2 GLU A 18 -14.706 -6.079 8.989 1.00 33.03 O ATOM 0 H GLU A 18 -9.465 -9.224 7.779 1.00 55.13 H new ATOM 0 HA GLU A 18 -11.938 -9.538 6.415 1.00 21.34 H new ATOM 0 HB2 GLU A 18 -12.894 -9.121 8.647 1.00 61.42 H new ATOM 0 HB3 GLU A 18 -11.916 -7.678 8.822 1.00 61.42 H new ATOM 0 HG2 GLU A 18 -13.117 -6.536 7.072 1.00 51.42 H new ATOM 0 HG3 GLU A 18 -13.921 -8.010 6.568 1.00 51.42 H new ATOM 289 N PRO A 19 -10.953 -7.744 4.947 1.00 51.24 N ATOM 290 CA PRO A 19 -10.341 -6.746 4.054 1.00 2.31 C ATOM 291 C PRO A 19 -11.070 -5.387 4.056 1.00 54.31 C ATOM 292 O PRO A 19 -11.361 -4.820 3.001 1.00 52.12 O ATOM 293 CB PRO A 19 -10.429 -7.427 2.681 1.00 72.14 C ATOM 294 CG PRO A 19 -11.641 -8.293 2.759 1.00 64.11 C ATOM 295 CD PRO A 19 -11.759 -8.735 4.200 1.00 15.31 C ATOM 0 HA PRO A 19 -9.327 -6.489 4.361 1.00 2.31 H new ATOM 0 HB2 PRO A 19 -10.519 -6.692 1.881 1.00 72.14 H new ATOM 0 HB3 PRO A 19 -9.535 -8.016 2.474 1.00 72.14 H new ATOM 0 HG2 PRO A 19 -12.530 -7.745 2.447 1.00 64.11 H new ATOM 0 HG3 PRO A 19 -11.547 -9.153 2.096 1.00 64.11 H new ATOM 0 HD2 PRO A 19 -12.797 -8.737 4.533 1.00 15.31 H new ATOM 0 HD3 PRO A 19 -11.377 -9.746 4.340 1.00 15.31 H new ATOM 303 N ALA A 20 -11.338 -4.859 5.251 1.00 22.04 N ATOM 304 CA ALA A 20 -11.944 -3.528 5.397 1.00 44.13 C ATOM 305 C ALA A 20 -10.875 -2.421 5.336 1.00 20.41 C ATOM 306 O ALA A 20 -11.188 -1.230 5.384 1.00 73.52 O ATOM 307 CB ALA A 20 -12.724 -3.447 6.706 1.00 60.53 C ATOM 0 H ALA A 20 -11.146 -5.331 6.135 1.00 22.04 H new ATOM 0 HA ALA A 20 -12.632 -3.373 4.566 1.00 44.13 H new ATOM 0 HB1 ALA A 20 -13.169 -2.457 6.804 1.00 60.53 H new ATOM 0 HB2 ALA A 20 -13.512 -4.200 6.707 1.00 60.53 H new ATOM 0 HB3 ALA A 20 -12.049 -3.626 7.543 1.00 60.53 H new ATOM 313 N PHE A 21 -9.614 -2.834 5.222 1.00 61.40 N ATOM 314 CA PHE A 21 -8.480 -1.907 5.140 1.00 24.21 C ATOM 315 C PHE A 21 -8.118 -1.601 3.678 1.00 41.11 C ATOM 316 O PHE A 21 -8.463 -2.356 2.767 1.00 22.21 O ATOM 317 CB PHE A 21 -7.267 -2.492 5.885 1.00 41.14 C ATOM 318 CG PHE A 21 -6.893 -3.894 5.458 1.00 43.23 C ATOM 319 CD1 PHE A 21 -6.293 -4.127 4.226 1.00 42.52 C ATOM 320 CD2 PHE A 21 -7.145 -4.981 6.287 1.00 54.32 C ATOM 321 CE1 PHE A 21 -5.956 -5.407 3.834 1.00 63.01 C ATOM 322 CE2 PHE A 21 -6.807 -6.261 5.896 1.00 54.02 C ATOM 323 CZ PHE A 21 -6.213 -6.474 4.668 1.00 54.40 C ATOM 0 H PHE A 21 -9.347 -3.818 5.184 1.00 61.40 H new ATOM 0 HA PHE A 21 -8.769 -0.969 5.614 1.00 24.21 H new ATOM 0 HB2 PHE A 21 -6.410 -1.837 5.731 1.00 41.14 H new ATOM 0 HB3 PHE A 21 -7.478 -2.494 6.954 1.00 41.14 H new ATOM 0 HD1 PHE A 21 -6.088 -3.296 3.567 1.00 42.52 H new ATOM 0 HD2 PHE A 21 -7.611 -4.822 7.248 1.00 54.32 H new ATOM 0 HE1 PHE A 21 -5.491 -5.572 2.873 1.00 63.01 H new ATOM 0 HE2 PHE A 21 -7.007 -7.096 6.551 1.00 54.02 H new ATOM 0 HZ PHE A 21 -5.950 -7.476 4.361 1.00 54.40 H new ATOM 333 N THR A 22 -7.422 -0.493 3.455 1.00 54.03 N ATOM 334 CA THR A 22 -7.089 -0.057 2.094 1.00 22.32 C ATOM 335 C THR A 22 -5.580 -0.125 1.810 1.00 11.43 C ATOM 336 O THR A 22 -4.779 0.472 2.521 1.00 33.31 O ATOM 337 CB THR A 22 -7.576 1.385 1.836 1.00 2.25 C ATOM 338 OG1 THR A 22 -8.993 1.479 2.060 1.00 1.25 O ATOM 339 CG2 THR A 22 -7.255 1.826 0.411 1.00 42.54 C ATOM 0 H THR A 22 -7.076 0.121 4.192 1.00 54.03 H new ATOM 0 HA THR A 22 -7.601 -0.747 1.424 1.00 22.32 H new ATOM 0 HB THR A 22 -7.054 2.044 2.530 1.00 2.25 H new ATOM 0 HG1 THR A 22 -9.451 1.611 1.204 1.00 1.25 H new ATOM 0 HG21 THR A 22 -7.609 2.845 0.257 1.00 42.54 H new ATOM 0 HG22 THR A 22 -6.177 1.789 0.253 1.00 42.54 H new ATOM 0 HG23 THR A 22 -7.749 1.160 -0.296 1.00 42.54 H new ATOM 347 N ILE A 23 -5.209 -0.847 0.755 1.00 41.34 N ATOM 348 CA ILE A 23 -3.810 -0.940 0.314 1.00 75.42 C ATOM 349 C ILE A 23 -3.546 0.022 -0.860 1.00 44.34 C ATOM 350 O ILE A 23 -4.361 0.118 -1.777 1.00 3.00 O ATOM 351 CB ILE A 23 -3.472 -2.387 -0.127 1.00 33.14 C ATOM 352 CG1 ILE A 23 -3.752 -3.375 1.019 1.00 24.12 C ATOM 353 CG2 ILE A 23 -2.016 -2.486 -0.579 1.00 20.51 C ATOM 354 CD1 ILE A 23 -3.530 -4.828 0.645 1.00 41.04 C ATOM 0 H ILE A 23 -5.861 -1.383 0.182 1.00 41.34 H new ATOM 0 HA ILE A 23 -3.176 -0.663 1.156 1.00 75.42 H new ATOM 0 HB ILE A 23 -4.109 -2.648 -0.972 1.00 33.14 H new ATOM 0 HG12 ILE A 23 -3.112 -3.126 1.865 1.00 24.12 H new ATOM 0 HG13 ILE A 23 -4.782 -3.249 1.351 1.00 24.12 H new ATOM 0 HG21 ILE A 23 -1.799 -3.509 -0.885 1.00 20.51 H new ATOM 0 HG22 ILE A 23 -1.850 -1.813 -1.420 1.00 20.51 H new ATOM 0 HG23 ILE A 23 -1.359 -2.206 0.245 1.00 20.51 H new ATOM 0 HD11 ILE A 23 -3.748 -5.462 1.504 1.00 41.04 H new ATOM 0 HD12 ILE A 23 -4.190 -5.096 -0.180 1.00 41.04 H new ATOM 0 HD13 ILE A 23 -2.493 -4.971 0.342 1.00 41.04 H new ATOM 366 N LEU A 24 -2.411 0.729 -0.838 1.00 51.42 N ATOM 367 CA LEU A 24 -2.110 1.732 -1.880 1.00 45.30 C ATOM 368 C LEU A 24 -0.800 1.437 -2.639 1.00 1.44 C ATOM 369 O LEU A 24 0.265 1.287 -2.031 1.00 22.32 O ATOM 370 CB LEU A 24 -2.028 3.136 -1.258 1.00 32.12 C ATOM 371 CG LEU A 24 -3.301 3.618 -0.539 1.00 24.03 C ATOM 372 CD1 LEU A 24 -3.143 5.059 -0.060 1.00 52.11 C ATOM 373 CD2 LEU A 24 -4.520 3.489 -1.446 1.00 0.34 C ATOM 0 H LEU A 24 -1.691 0.632 -0.123 1.00 51.42 H new ATOM 0 HA LEU A 24 -2.926 1.682 -2.601 1.00 45.30 H new ATOM 0 HB2 LEU A 24 -1.202 3.152 -0.547 1.00 32.12 H new ATOM 0 HB3 LEU A 24 -1.784 3.849 -2.045 1.00 32.12 H new ATOM 0 HG LEU A 24 -3.454 2.982 0.333 1.00 24.03 H new ATOM 0 HD11 LEU A 24 -4.055 5.377 0.445 1.00 52.11 H new ATOM 0 HD12 LEU A 24 -2.304 5.122 0.633 1.00 52.11 H new ATOM 0 HD13 LEU A 24 -2.957 5.708 -0.915 1.00 52.11 H new ATOM 0 HD21 LEU A 24 -5.407 3.836 -0.915 1.00 0.34 H new ATOM 0 HD22 LEU A 24 -4.373 4.094 -2.341 1.00 0.34 H new ATOM 0 HD23 LEU A 24 -4.653 2.445 -1.731 1.00 0.34 H new ATOM 385 N ASP A 25 -0.894 1.367 -3.971 1.00 35.02 N ATOM 386 CA ASP A 25 0.281 1.235 -4.842 1.00 45.12 C ATOM 387 C ASP A 25 0.919 2.597 -5.141 1.00 15.12 C ATOM 388 O ASP A 25 0.479 3.312 -6.044 1.00 52.22 O ATOM 389 CB ASP A 25 -0.113 0.568 -6.165 1.00 21.13 C ATOM 390 CG ASP A 25 -0.197 -0.934 -6.048 1.00 61.04 C ATOM 391 OD1 ASP A 25 0.836 -1.593 -6.264 1.00 74.01 O ATOM 392 OD2 ASP A 25 -1.281 -1.463 -5.733 1.00 64.03 O ATOM 0 H ASP A 25 -1.781 1.400 -4.474 1.00 35.02 H new ATOM 0 HA ASP A 25 1.009 0.619 -4.314 1.00 45.12 H new ATOM 0 HB2 ASP A 25 -1.076 0.959 -6.493 1.00 21.13 H new ATOM 0 HB3 ASP A 25 0.616 0.830 -6.932 1.00 21.13 H new ATOM 397 N VAL A 26 1.975 2.952 -4.409 1.00 61.41 N ATOM 398 CA VAL A 26 2.610 4.259 -4.599 1.00 5.22 C ATOM 399 C VAL A 26 3.785 4.190 -5.579 1.00 14.42 C ATOM 400 O VAL A 26 4.434 5.196 -5.853 1.00 21.51 O ATOM 401 CB VAL A 26 3.065 4.862 -3.252 1.00 54.13 C ATOM 402 CG1 VAL A 26 1.851 5.125 -2.367 1.00 21.02 C ATOM 403 CG2 VAL A 26 4.071 3.947 -2.554 1.00 71.30 C ATOM 0 H VAL A 26 2.403 2.367 -3.692 1.00 61.41 H new ATOM 0 HA VAL A 26 1.856 4.915 -5.034 1.00 5.22 H new ATOM 0 HB VAL A 26 3.567 5.810 -3.443 1.00 54.13 H new ATOM 0 HG11 VAL A 26 2.178 5.550 -1.418 1.00 21.02 H new ATOM 0 HG12 VAL A 26 1.181 5.825 -2.867 1.00 21.02 H new ATOM 0 HG13 VAL A 26 1.325 4.188 -2.183 1.00 21.02 H new ATOM 0 HG21 VAL A 26 4.375 4.395 -1.608 1.00 71.30 H new ATOM 0 HG22 VAL A 26 3.611 2.977 -2.365 1.00 71.30 H new ATOM 0 HG23 VAL A 26 4.946 3.815 -3.191 1.00 71.30 H new ATOM 413 N ARG A 27 4.034 2.998 -6.118 1.00 43.11 N ATOM 414 CA ARG A 27 5.077 2.800 -7.128 1.00 62.22 C ATOM 415 C ARG A 27 4.832 3.674 -8.368 1.00 73.43 C ATOM 416 O ARG A 27 5.577 4.620 -8.633 1.00 51.53 O ATOM 417 CB ARG A 27 5.140 1.320 -7.528 1.00 2.02 C ATOM 418 CG ARG A 27 5.724 0.419 -6.447 1.00 43.43 C ATOM 419 CD ARG A 27 5.666 -1.055 -6.833 1.00 22.03 C ATOM 420 NE ARG A 27 4.330 -1.620 -6.673 1.00 54.31 N ATOM 421 CZ ARG A 27 3.952 -2.746 -7.204 1.00 43.13 C ATOM 422 NH1 ARG A 27 4.743 -3.411 -7.984 1.00 4.42 N ATOM 423 NH2 ARG A 27 2.773 -3.202 -6.968 1.00 11.10 N ATOM 0 H ARG A 27 3.525 2.149 -5.872 1.00 43.11 H new ATOM 0 HA ARG A 27 6.031 3.099 -6.693 1.00 62.22 H new ATOM 0 HB2 ARG A 27 4.135 0.975 -7.772 1.00 2.02 H new ATOM 0 HB3 ARG A 27 5.739 1.222 -8.433 1.00 2.02 H new ATOM 0 HG2 ARG A 27 6.759 0.703 -6.260 1.00 43.43 H new ATOM 0 HG3 ARG A 27 5.178 0.571 -5.516 1.00 43.43 H new ATOM 0 HD2 ARG A 27 5.984 -1.169 -7.869 1.00 22.03 H new ATOM 0 HD3 ARG A 27 6.371 -1.616 -6.220 1.00 22.03 H new ATOM 0 HE ARG A 27 3.653 -1.102 -6.112 1.00 54.31 H new ATOM 0 HH11 ARG A 27 5.676 -3.053 -8.189 1.00 4.42 H new ATOM 0 HH12 ARG A 27 4.433 -4.292 -8.393 1.00 4.42 H new ATOM 0 HH21 ARG A 27 2.136 -2.681 -6.365 1.00 11.10 H new ATOM 0 HH22 ARG A 27 2.475 -4.085 -7.383 1.00 11.10 H new ATOM 437 N ASP A 28 3.779 3.350 -9.110 1.00 20.24 N ATOM 438 CA ASP A 28 3.411 4.080 -10.326 1.00 34.20 C ATOM 439 C ASP A 28 2.086 3.540 -10.869 1.00 74.43 C ATOM 440 O ASP A 28 1.714 2.405 -10.577 1.00 73.44 O ATOM 441 CB ASP A 28 4.506 3.931 -11.395 1.00 33.12 C ATOM 442 CG ASP A 28 4.384 4.949 -12.511 1.00 32.21 C ATOM 443 OD1 ASP A 28 3.619 4.709 -13.464 1.00 74.43 O ATOM 444 OD2 ASP A 28 5.061 5.997 -12.443 1.00 10.23 O ATOM 0 H ASP A 28 3.154 2.575 -8.889 1.00 20.24 H new ATOM 0 HA ASP A 28 3.302 5.136 -10.081 1.00 34.20 H new ATOM 0 HB2 ASP A 28 5.483 4.032 -10.923 1.00 33.12 H new ATOM 0 HB3 ASP A 28 4.459 2.928 -11.819 1.00 33.12 H new ATOM 449 N ARG A 29 1.381 4.338 -11.656 1.00 43.12 N ATOM 450 CA ARG A 29 0.135 3.886 -12.277 1.00 74.13 C ATOM 451 C ARG A 29 0.409 2.727 -13.256 1.00 5.44 C ATOM 452 O ARG A 29 -0.343 1.749 -13.318 1.00 5.14 O ATOM 453 CB ARG A 29 -0.553 5.056 -12.995 1.00 71.42 C ATOM 454 CG ARG A 29 -1.959 4.738 -13.495 1.00 43.23 C ATOM 455 CD ARG A 29 -2.868 4.266 -12.361 1.00 75.11 C ATOM 456 NE ARG A 29 -4.263 4.136 -12.783 1.00 64.22 N ATOM 457 CZ ARG A 29 -4.932 3.014 -12.800 1.00 60.23 C ATOM 458 NH1 ARG A 29 -4.347 1.893 -12.521 1.00 60.31 N ATOM 459 NH2 ARG A 29 -6.186 3.009 -13.112 1.00 72.51 N ATOM 0 H ARG A 29 1.644 5.297 -11.882 1.00 43.12 H new ATOM 0 HA ARG A 29 -0.533 3.519 -11.497 1.00 74.13 H new ATOM 0 HB2 ARG A 29 -0.604 5.906 -12.315 1.00 71.42 H new ATOM 0 HB3 ARG A 29 0.062 5.361 -13.842 1.00 71.42 H new ATOM 0 HG2 ARG A 29 -2.389 5.625 -13.961 1.00 43.23 H new ATOM 0 HG3 ARG A 29 -1.906 3.967 -14.264 1.00 43.23 H new ATOM 0 HD2 ARG A 29 -2.512 3.305 -11.990 1.00 75.11 H new ATOM 0 HD3 ARG A 29 -2.806 4.971 -11.532 1.00 75.11 H new ATOM 0 HE ARG A 29 -4.747 4.981 -13.085 1.00 64.22 H new ATOM 0 HH11 ARG A 29 -3.355 1.880 -12.285 1.00 60.31 H new ATOM 0 HH12 ARG A 29 -4.878 1.023 -12.537 1.00 60.31 H new ATOM 0 HH21 ARG A 29 -6.657 3.883 -13.346 1.00 72.51 H new ATOM 0 HH22 ARG A 29 -6.705 2.131 -13.124 1.00 72.51 H new ATOM 473 N SER A 30 1.512 2.832 -13.991 1.00 30.21 N ATOM 474 CA SER A 30 1.934 1.786 -14.928 1.00 72.20 C ATOM 475 C SER A 30 2.431 0.558 -14.166 1.00 44.53 C ATOM 476 O SER A 30 2.020 -0.567 -14.444 1.00 23.11 O ATOM 477 CB SER A 30 3.045 2.309 -15.851 1.00 65.12 C ATOM 478 OG SER A 30 4.235 2.584 -15.126 1.00 42.12 O ATOM 0 H SER A 30 2.137 3.637 -13.958 1.00 30.21 H new ATOM 0 HA SER A 30 1.074 1.503 -15.535 1.00 72.20 H new ATOM 0 HB2 SER A 30 3.252 1.572 -16.627 1.00 65.12 H new ATOM 0 HB3 SER A 30 2.706 3.215 -16.354 1.00 65.12 H new ATOM 0 HG SER A 30 4.080 3.335 -14.516 1.00 42.12 H new ATOM 484 N THR A 31 3.315 0.786 -13.192 1.00 3.23 N ATOM 485 CA THR A 31 3.816 -0.285 -12.324 1.00 24.33 C ATOM 486 C THR A 31 2.656 -1.007 -11.616 1.00 42.10 C ATOM 487 O THR A 31 2.716 -2.215 -11.375 1.00 5.50 O ATOM 488 CB THR A 31 4.802 0.261 -11.262 1.00 64.14 C ATOM 489 OG1 THR A 31 5.821 1.056 -11.893 1.00 42.21 O ATOM 490 CG2 THR A 31 5.458 -0.878 -10.489 1.00 73.24 C ATOM 0 H THR A 31 3.701 1.707 -12.983 1.00 3.23 H new ATOM 0 HA THR A 31 4.345 -0.992 -12.963 1.00 24.33 H new ATOM 0 HB THR A 31 4.235 0.878 -10.565 1.00 64.14 H new ATOM 0 HG1 THR A 31 6.438 1.398 -11.212 1.00 42.21 H new ATOM 0 HG21 THR A 31 6.146 -0.467 -9.750 1.00 73.24 H new ATOM 0 HG22 THR A 31 4.690 -1.465 -9.984 1.00 73.24 H new ATOM 0 HG23 THR A 31 6.008 -1.517 -11.180 1.00 73.24 H new ATOM 498 N TYR A 32 1.603 -0.254 -11.287 1.00 51.44 N ATOM 499 CA TYR A 32 0.366 -0.839 -10.758 1.00 11.12 C ATOM 500 C TYR A 32 -0.166 -1.903 -11.723 1.00 11.33 C ATOM 501 O TYR A 32 -0.430 -3.037 -11.329 1.00 51.24 O ATOM 502 CB TYR A 32 -0.695 0.255 -10.535 1.00 21.00 C ATOM 503 CG TYR A 32 -2.066 -0.271 -10.130 1.00 30.35 C ATOM 504 CD1 TYR A 32 -2.381 -0.506 -8.796 1.00 50.02 C ATOM 505 CD2 TYR A 32 -3.046 -0.533 -11.084 1.00 2.43 C ATOM 506 CE1 TYR A 32 -3.623 -0.985 -8.425 1.00 10.43 C ATOM 507 CE2 TYR A 32 -4.291 -1.011 -10.720 1.00 42.01 C ATOM 508 CZ TYR A 32 -4.574 -1.235 -9.391 1.00 1.20 C ATOM 509 OH TYR A 32 -5.813 -1.713 -9.026 1.00 3.24 O ATOM 0 H TYR A 32 1.581 0.762 -11.377 1.00 51.44 H new ATOM 0 HA TYR A 32 0.585 -1.309 -9.799 1.00 11.12 H new ATOM 0 HB2 TYR A 32 -0.339 0.938 -9.763 1.00 21.00 H new ATOM 0 HB3 TYR A 32 -0.798 0.836 -11.451 1.00 21.00 H new ATOM 0 HD1 TYR A 32 -1.640 -0.310 -8.035 1.00 50.02 H new ATOM 0 HD2 TYR A 32 -2.829 -0.360 -12.128 1.00 2.43 H new ATOM 0 HE1 TYR A 32 -3.847 -1.163 -7.384 1.00 10.43 H new ATOM 0 HE2 TYR A 32 -5.038 -1.208 -11.474 1.00 42.01 H new ATOM 0 HH TYR A 32 -6.365 -1.835 -9.826 1.00 3.24 H new ATOM 519 N ASN A 33 -0.308 -1.528 -12.995 1.00 13.12 N ATOM 520 CA ASN A 33 -0.716 -2.481 -14.033 1.00 55.23 C ATOM 521 C ASN A 33 0.277 -3.651 -14.142 1.00 1.22 C ATOM 522 O ASN A 33 -0.134 -4.806 -14.224 1.00 1.31 O ATOM 523 CB ASN A 33 -0.857 -1.788 -15.395 1.00 31.22 C ATOM 524 CG ASN A 33 -2.008 -0.801 -15.423 1.00 20.14 C ATOM 525 OD1 ASN A 33 -3.145 -1.161 -15.712 1.00 0.54 O ATOM 526 ND2 ASN A 33 -1.730 0.452 -15.134 1.00 2.35 N ATOM 0 H ASN A 33 -0.148 -0.579 -13.332 1.00 13.12 H new ATOM 0 HA ASN A 33 -1.688 -2.879 -13.740 1.00 55.23 H new ATOM 0 HB2 ASN A 33 0.071 -1.268 -15.633 1.00 31.22 H new ATOM 0 HB3 ASN A 33 -1.008 -2.541 -16.169 1.00 31.22 H new ATOM 0 HD21 ASN A 33 -2.470 1.154 -15.146 1.00 2.35 H new ATOM 0 HD22 ASN A 33 -0.775 0.721 -14.897 1.00 2.35 H new ATOM 533 N ASP A 34 1.579 -3.349 -14.133 1.00 53.11 N ATOM 534 CA ASP A 34 2.616 -4.385 -14.231 1.00 34.33 C ATOM 535 C ASP A 34 2.441 -5.485 -13.166 1.00 35.31 C ATOM 536 O ASP A 34 2.482 -6.674 -13.485 1.00 72.24 O ATOM 537 CB ASP A 34 4.012 -3.760 -14.095 1.00 23.13 C ATOM 538 CG ASP A 34 4.351 -2.787 -15.214 1.00 63.34 C ATOM 539 OD1 ASP A 34 3.735 -2.868 -16.297 1.00 72.53 O ATOM 540 OD2 ASP A 34 5.258 -1.947 -15.020 1.00 22.52 O ATOM 0 H ASP A 34 1.941 -2.398 -14.059 1.00 53.11 H new ATOM 0 HA ASP A 34 2.512 -4.847 -15.213 1.00 34.33 H new ATOM 0 HB2 ASP A 34 4.077 -3.240 -13.139 1.00 23.13 H new ATOM 0 HB3 ASP A 34 4.757 -4.555 -14.077 1.00 23.13 H new ATOM 545 N GLY A 35 2.225 -5.090 -11.913 1.00 70.44 N ATOM 546 CA GLY A 35 1.998 -6.068 -10.855 1.00 24.52 C ATOM 547 C GLY A 35 1.667 -5.428 -9.516 1.00 2.33 C ATOM 548 O GLY A 35 2.452 -4.649 -8.991 1.00 45.15 O ATOM 0 H GLY A 35 2.203 -4.116 -11.610 1.00 70.44 H new ATOM 0 HA2 GLY A 35 1.182 -6.729 -11.147 1.00 24.52 H new ATOM 0 HA3 GLY A 35 2.887 -6.689 -10.745 1.00 24.52 H new ATOM 552 N HIS A 36 0.511 -5.774 -8.955 1.00 65.40 N ATOM 553 CA HIS A 36 0.039 -5.178 -7.697 1.00 72.14 C ATOM 554 C HIS A 36 -0.669 -6.216 -6.813 1.00 61.31 C ATOM 555 O HIS A 36 -1.070 -7.279 -7.288 1.00 74.35 O ATOM 556 CB HIS A 36 -0.919 -4.015 -7.996 1.00 72.14 C ATOM 557 CG HIS A 36 -2.120 -4.404 -8.812 1.00 72.44 C ATOM 558 ND1 HIS A 36 -2.061 -4.622 -10.169 1.00 65.12 N ATOM 559 CD2 HIS A 36 -3.416 -4.606 -8.463 1.00 5.21 C ATOM 560 CE1 HIS A 36 -3.257 -4.930 -10.623 1.00 43.14 C ATOM 561 NE2 HIS A 36 -4.100 -4.929 -9.612 1.00 70.24 N ATOM 0 H HIS A 36 -0.123 -6.468 -9.351 1.00 65.40 H new ATOM 0 HA HIS A 36 0.910 -4.808 -7.155 1.00 72.14 H new ATOM 0 HB2 HIS A 36 -1.257 -3.585 -7.053 1.00 72.14 H new ATOM 0 HB3 HIS A 36 -0.372 -3.234 -8.524 1.00 72.14 H new ATOM 0 HD1 HIS A 36 -1.217 -4.555 -10.738 1.00 65.12 H new ATOM 0 HD2 HIS A 36 -3.832 -4.528 -7.469 1.00 5.21 H new ATOM 0 HE1 HIS A 36 -3.505 -5.147 -11.651 1.00 43.14 H new ATOM 570 N ILE A 37 -0.824 -5.901 -5.529 1.00 72.13 N ATOM 571 CA ILE A 37 -1.557 -6.767 -4.598 1.00 22.13 C ATOM 572 C ILE A 37 -3.023 -6.926 -5.031 1.00 51.14 C ATOM 573 O ILE A 37 -3.654 -5.974 -5.495 1.00 33.00 O ATOM 574 CB ILE A 37 -1.505 -6.211 -3.146 1.00 35.21 C ATOM 575 CG1 ILE A 37 -0.067 -6.264 -2.603 1.00 74.02 C ATOM 576 CG2 ILE A 37 -2.460 -6.974 -2.225 1.00 5.40 C ATOM 577 CD1 ILE A 37 0.088 -5.682 -1.212 1.00 33.45 C ATOM 0 H ILE A 37 -0.452 -5.051 -5.105 1.00 72.13 H new ATOM 0 HA ILE A 37 -1.071 -7.742 -4.618 1.00 22.13 H new ATOM 0 HB ILE A 37 -1.829 -5.171 -3.171 1.00 35.21 H new ATOM 0 HG12 ILE A 37 0.268 -7.301 -2.591 1.00 74.02 H new ATOM 0 HG13 ILE A 37 0.589 -5.725 -3.287 1.00 74.02 H new ATOM 0 HG21 ILE A 37 -2.401 -6.562 -1.218 1.00 5.40 H new ATOM 0 HG22 ILE A 37 -3.480 -6.877 -2.597 1.00 5.40 H new ATOM 0 HG23 ILE A 37 -2.181 -8.027 -2.203 1.00 5.40 H new ATOM 0 HD11 ILE A 37 1.130 -5.757 -0.900 1.00 33.45 H new ATOM 0 HD12 ILE A 37 -0.214 -4.635 -1.220 1.00 33.45 H new ATOM 0 HD13 ILE A 37 -0.540 -6.236 -0.514 1.00 33.45 H new ATOM 589 N MET A 38 -3.558 -8.134 -4.888 1.00 64.33 N ATOM 590 CA MET A 38 -4.947 -8.407 -5.262 1.00 35.51 C ATOM 591 C MET A 38 -5.928 -7.593 -4.403 1.00 34.04 C ATOM 592 O MET A 38 -6.048 -7.815 -3.197 1.00 10.15 O ATOM 593 CB MET A 38 -5.240 -9.907 -5.139 1.00 3.53 C ATOM 594 CG MET A 38 -6.661 -10.297 -5.528 1.00 21.45 C ATOM 595 SD MET A 38 -6.869 -12.084 -5.651 1.00 61.22 S ATOM 596 CE MET A 38 -5.692 -12.469 -6.947 1.00 53.42 C ATOM 0 H MET A 38 -3.055 -8.940 -4.517 1.00 64.33 H new ATOM 0 HA MET A 38 -5.085 -8.103 -6.299 1.00 35.51 H new ATOM 0 HB2 MET A 38 -4.539 -10.456 -5.768 1.00 3.53 H new ATOM 0 HB3 MET A 38 -5.058 -10.219 -4.111 1.00 3.53 H new ATOM 0 HG2 MET A 38 -7.359 -9.902 -4.790 1.00 21.45 H new ATOM 0 HG3 MET A 38 -6.913 -9.837 -6.484 1.00 21.45 H new ATOM 0 HE1 MET A 38 -5.894 -13.466 -7.338 1.00 53.42 H new ATOM 0 HE2 MET A 38 -5.784 -11.739 -7.751 1.00 53.42 H new ATOM 0 HE3 MET A 38 -4.681 -12.437 -6.541 1.00 53.42 H new ATOM 606 N GLY A 39 -6.621 -6.647 -5.037 1.00 54.23 N ATOM 607 CA GLY A 39 -7.569 -5.792 -4.325 1.00 74.13 C ATOM 608 C GLY A 39 -6.990 -4.434 -3.917 1.00 3.51 C ATOM 609 O GLY A 39 -7.672 -3.633 -3.274 1.00 11.35 O ATOM 0 H GLY A 39 -6.544 -6.455 -6.036 1.00 54.23 H new ATOM 0 HA2 GLY A 39 -8.443 -5.629 -4.956 1.00 74.13 H new ATOM 0 HA3 GLY A 39 -7.914 -6.313 -3.432 1.00 74.13 H new ATOM 613 N ALA A 40 -5.739 -4.165 -4.297 1.00 63.23 N ATOM 614 CA ALA A 40 -5.076 -2.895 -3.956 1.00 20.11 C ATOM 615 C ALA A 40 -5.652 -1.701 -4.744 1.00 44.14 C ATOM 616 O ALA A 40 -6.434 -1.874 -5.682 1.00 12.33 O ATOM 617 CB ALA A 40 -3.576 -3.006 -4.191 1.00 13.42 C ATOM 0 H ALA A 40 -5.161 -4.806 -4.841 1.00 63.23 H new ATOM 0 HA ALA A 40 -5.266 -2.705 -2.900 1.00 20.11 H new ATOM 0 HB1 ALA A 40 -3.097 -2.061 -3.935 1.00 13.42 H new ATOM 0 HB2 ALA A 40 -3.168 -3.801 -3.566 1.00 13.42 H new ATOM 0 HB3 ALA A 40 -3.388 -3.236 -5.240 1.00 13.42 H new ATOM 623 N MET A 41 -5.257 -0.487 -4.354 1.00 41.14 N ATOM 624 CA MET A 41 -5.771 0.744 -4.970 1.00 71.12 C ATOM 625 C MET A 41 -4.707 1.457 -5.812 1.00 32.20 C ATOM 626 O MET A 41 -3.520 1.462 -5.475 1.00 33.15 O ATOM 627 CB MET A 41 -6.264 1.698 -3.884 1.00 72.10 C ATOM 628 CG MET A 41 -7.404 1.137 -3.056 1.00 13.12 C ATOM 629 SD MET A 41 -8.971 1.105 -3.955 1.00 53.52 S ATOM 630 CE MET A 41 -9.223 2.852 -4.265 1.00 12.42 C ATOM 0 H MET A 41 -4.578 -0.327 -3.610 1.00 41.14 H new ATOM 0 HA MET A 41 -6.590 0.458 -5.630 1.00 71.12 H new ATOM 0 HB2 MET A 41 -5.433 1.944 -3.223 1.00 72.10 H new ATOM 0 HB3 MET A 41 -6.588 2.629 -4.349 1.00 72.10 H new ATOM 0 HG2 MET A 41 -7.152 0.125 -2.737 1.00 13.12 H new ATOM 0 HG3 MET A 41 -7.520 1.736 -2.153 1.00 13.12 H new ATOM 0 HE1 MET A 41 -10.289 3.052 -4.376 1.00 12.42 H new ATOM 0 HE2 MET A 41 -8.830 3.430 -3.429 1.00 12.42 H new ATOM 0 HE3 MET A 41 -8.703 3.138 -5.179 1.00 12.42 H new ATOM 640 N ALA A 42 -5.153 2.094 -6.889 1.00 52.31 N ATOM 641 CA ALA A 42 -4.255 2.835 -7.775 1.00 4.10 C ATOM 642 C ALA A 42 -4.042 4.277 -7.285 1.00 34.42 C ATOM 643 O ALA A 42 -4.559 5.235 -7.868 1.00 3.23 O ATOM 644 CB ALA A 42 -4.788 2.816 -9.205 1.00 12.22 C ATOM 0 H ALA A 42 -6.133 2.114 -7.172 1.00 52.31 H new ATOM 0 HA ALA A 42 -3.283 2.341 -7.760 1.00 4.10 H new ATOM 0 HB1 ALA A 42 -4.110 3.371 -9.853 1.00 12.22 H new ATOM 0 HB2 ALA A 42 -4.860 1.785 -9.553 1.00 12.22 H new ATOM 0 HB3 ALA A 42 -5.775 3.278 -9.232 1.00 12.22 H new ATOM 650 N MET A 43 -3.308 4.417 -6.185 1.00 2.12 N ATOM 651 CA MET A 43 -2.902 5.731 -5.670 1.00 21.01 C ATOM 652 C MET A 43 -1.386 5.933 -5.828 1.00 42.23 C ATOM 653 O MET A 43 -0.609 5.567 -4.945 1.00 33.43 O ATOM 654 CB MET A 43 -3.287 5.898 -4.188 1.00 4.32 C ATOM 655 CG MET A 43 -4.712 6.381 -3.948 1.00 62.33 C ATOM 656 SD MET A 43 -5.938 5.066 -3.916 1.00 31.31 S ATOM 657 CE MET A 43 -7.381 6.014 -3.429 1.00 45.21 C ATOM 0 H MET A 43 -2.977 3.631 -5.625 1.00 2.12 H new ATOM 0 HA MET A 43 -3.430 6.484 -6.255 1.00 21.01 H new ATOM 0 HB2 MET A 43 -3.153 4.942 -3.682 1.00 4.32 H new ATOM 0 HB3 MET A 43 -2.597 6.603 -3.725 1.00 4.32 H new ATOM 0 HG2 MET A 43 -4.747 6.919 -3.001 1.00 62.33 H new ATOM 0 HG3 MET A 43 -4.979 7.093 -4.729 1.00 62.33 H new ATOM 0 HE1 MET A 43 -7.894 5.503 -2.615 1.00 45.21 H new ATOM 0 HE2 MET A 43 -7.070 7.005 -3.097 1.00 45.21 H new ATOM 0 HE3 MET A 43 -8.056 6.112 -4.279 1.00 45.21 H new ATOM 667 N PRO A 44 -0.942 6.538 -6.946 1.00 62.04 N ATOM 668 CA PRO A 44 0.490 6.713 -7.222 1.00 30.44 C ATOM 669 C PRO A 44 1.104 7.829 -6.369 1.00 1.32 C ATOM 670 O PRO A 44 0.480 8.864 -6.151 1.00 11.34 O ATOM 671 CB PRO A 44 0.518 7.061 -8.716 1.00 71.33 C ATOM 672 CG PRO A 44 -0.801 7.713 -8.988 1.00 2.25 C ATOM 673 CD PRO A 44 -1.790 7.135 -7.999 1.00 14.23 C ATOM 0 HA PRO A 44 1.079 5.828 -6.979 1.00 30.44 H new ATOM 0 HB2 PRO A 44 1.345 7.732 -8.949 1.00 71.33 H new ATOM 0 HB3 PRO A 44 0.650 6.168 -9.327 1.00 71.33 H new ATOM 0 HG2 PRO A 44 -0.728 8.795 -8.874 1.00 2.25 H new ATOM 0 HG3 PRO A 44 -1.122 7.522 -10.012 1.00 2.25 H new ATOM 0 HD2 PRO A 44 -2.445 7.906 -7.593 1.00 14.23 H new ATOM 0 HD3 PRO A 44 -2.430 6.387 -8.467 1.00 14.23 H new ATOM 681 N ILE A 45 2.338 7.615 -5.907 1.00 54.42 N ATOM 682 CA ILE A 45 3.014 8.538 -4.978 1.00 40.42 C ATOM 683 C ILE A 45 2.941 10.011 -5.439 1.00 5.22 C ATOM 684 O ILE A 45 2.995 10.933 -4.625 1.00 20.13 O ATOM 685 CB ILE A 45 4.493 8.114 -4.782 1.00 75.42 C ATOM 686 CG1 ILE A 45 5.128 8.856 -3.596 1.00 34.52 C ATOM 687 CG2 ILE A 45 5.303 8.347 -6.059 1.00 51.41 C ATOM 688 CD1 ILE A 45 6.517 8.362 -3.248 1.00 30.23 C ATOM 0 H ILE A 45 2.899 6.802 -6.162 1.00 54.42 H new ATOM 0 HA ILE A 45 2.484 8.474 -4.028 1.00 40.42 H new ATOM 0 HB ILE A 45 4.506 7.047 -4.560 1.00 75.42 H new ATOM 0 HG12 ILE A 45 5.177 9.920 -3.827 1.00 34.52 H new ATOM 0 HG13 ILE A 45 4.484 8.749 -2.723 1.00 34.52 H new ATOM 0 HG21 ILE A 45 6.336 8.042 -5.895 1.00 51.41 H new ATOM 0 HG22 ILE A 45 4.876 7.761 -6.873 1.00 51.41 H new ATOM 0 HG23 ILE A 45 5.274 9.405 -6.320 1.00 51.41 H new ATOM 0 HD11 ILE A 45 6.904 8.930 -2.402 1.00 30.23 H new ATOM 0 HD12 ILE A 45 6.472 7.305 -2.985 1.00 30.23 H new ATOM 0 HD13 ILE A 45 7.176 8.495 -4.106 1.00 30.23 H new ATOM 700 N GLU A 46 2.803 10.212 -6.747 1.00 74.04 N ATOM 701 CA GLU A 46 2.677 11.551 -7.337 1.00 13.54 C ATOM 702 C GLU A 46 1.336 12.214 -6.962 1.00 61.01 C ATOM 703 O GLU A 46 1.294 13.361 -6.509 1.00 22.15 O ATOM 704 CB GLU A 46 2.783 11.439 -8.862 1.00 5.13 C ATOM 705 CG GLU A 46 3.989 10.630 -9.333 1.00 55.23 C ATOM 706 CD GLU A 46 4.020 10.446 -10.842 1.00 20.13 C ATOM 707 OE1 GLU A 46 3.429 9.465 -11.343 1.00 32.21 O ATOM 708 OE2 GLU A 46 4.636 11.282 -11.534 1.00 34.32 O ATOM 0 H GLU A 46 2.775 9.456 -7.431 1.00 74.04 H new ATOM 0 HA GLU A 46 3.480 12.174 -6.944 1.00 13.54 H new ATOM 0 HB2 GLU A 46 1.874 10.978 -9.248 1.00 5.13 H new ATOM 0 HB3 GLU A 46 2.839 12.441 -9.289 1.00 5.13 H new ATOM 0 HG2 GLU A 46 4.904 11.130 -9.013 1.00 55.23 H new ATOM 0 HG3 GLU A 46 3.975 9.652 -8.852 1.00 55.23 H new ATOM 715 N ASP A 47 0.246 11.477 -7.160 1.00 54.15 N ATOM 716 CA ASP A 47 -1.109 11.982 -6.892 1.00 42.04 C ATOM 717 C ASP A 47 -1.665 11.439 -5.561 1.00 5.44 C ATOM 718 O ASP A 47 -2.809 11.708 -5.202 1.00 10.32 O ATOM 719 CB ASP A 47 -2.037 11.568 -8.042 1.00 2.51 C ATOM 720 CG ASP A 47 -1.615 12.156 -9.377 1.00 41.15 C ATOM 721 OD1 ASP A 47 -2.076 13.269 -9.710 1.00 65.22 O ATOM 722 OD2 ASP A 47 -0.831 11.505 -10.103 1.00 21.11 O ATOM 0 H ASP A 47 0.270 10.519 -7.508 1.00 54.15 H new ATOM 0 HA ASP A 47 -1.059 13.068 -6.815 1.00 42.04 H new ATOM 0 HB2 ASP A 47 -2.053 10.481 -8.117 1.00 2.51 H new ATOM 0 HB3 ASP A 47 -3.054 11.886 -7.815 1.00 2.51 H new ATOM 727 N LEU A 48 -0.833 10.693 -4.839 1.00 34.33 N ATOM 728 CA LEU A 48 -1.244 9.945 -3.637 1.00 34.33 C ATOM 729 C LEU A 48 -2.144 10.744 -2.677 1.00 31.01 C ATOM 730 O LEU A 48 -3.279 10.342 -2.407 1.00 42.31 O ATOM 731 CB LEU A 48 0.004 9.462 -2.887 1.00 32.41 C ATOM 732 CG LEU A 48 -0.259 8.722 -1.566 1.00 60.40 C ATOM 733 CD1 LEU A 48 -1.005 7.412 -1.808 1.00 14.43 C ATOM 734 CD2 LEU A 48 1.050 8.474 -0.827 1.00 32.10 C ATOM 0 H LEU A 48 0.155 10.585 -5.067 1.00 34.33 H new ATOM 0 HA LEU A 48 -1.843 9.105 -3.988 1.00 34.33 H new ATOM 0 HB2 LEU A 48 0.569 8.802 -3.546 1.00 32.41 H new ATOM 0 HB3 LEU A 48 0.638 10.324 -2.680 1.00 32.41 H new ATOM 0 HG LEU A 48 -0.893 9.353 -0.943 1.00 60.40 H new ATOM 0 HD11 LEU A 48 -1.177 6.910 -0.856 1.00 14.43 H new ATOM 0 HD12 LEU A 48 -1.962 7.621 -2.286 1.00 14.43 H new ATOM 0 HD13 LEU A 48 -0.409 6.768 -2.455 1.00 14.43 H new ATOM 0 HD21 LEU A 48 0.847 7.949 0.107 1.00 32.10 H new ATOM 0 HD22 LEU A 48 1.709 7.868 -1.448 1.00 32.10 H new ATOM 0 HD23 LEU A 48 1.532 9.427 -0.610 1.00 32.10 H new ATOM 746 N VAL A 49 -1.634 11.858 -2.156 1.00 31.34 N ATOM 747 CA VAL A 49 -2.365 12.651 -1.153 1.00 35.05 C ATOM 748 C VAL A 49 -3.765 13.048 -1.649 1.00 64.54 C ATOM 749 O VAL A 49 -4.772 12.790 -0.986 1.00 52.33 O ATOM 750 CB VAL A 49 -1.579 13.932 -0.777 1.00 43.34 C ATOM 751 CG1 VAL A 49 -2.345 14.767 0.253 1.00 41.10 C ATOM 752 CG2 VAL A 49 -0.184 13.577 -0.264 1.00 33.32 C ATOM 0 H VAL A 49 -0.721 12.236 -2.407 1.00 31.34 H new ATOM 0 HA VAL A 49 -2.473 12.018 -0.272 1.00 35.05 H new ATOM 0 HB VAL A 49 -1.468 14.536 -1.677 1.00 43.34 H new ATOM 0 HG11 VAL A 49 -1.770 15.660 0.498 1.00 41.10 H new ATOM 0 HG12 VAL A 49 -3.310 15.060 -0.161 1.00 41.10 H new ATOM 0 HG13 VAL A 49 -2.501 14.177 1.156 1.00 41.10 H new ATOM 0 HG21 VAL A 49 0.352 14.490 -0.005 1.00 33.32 H new ATOM 0 HG22 VAL A 49 -0.271 12.945 0.620 1.00 33.32 H new ATOM 0 HG23 VAL A 49 0.364 13.042 -1.040 1.00 33.32 H new ATOM 762 N ASP A 50 -3.811 13.656 -2.827 1.00 23.21 N ATOM 763 CA ASP A 50 -5.068 14.084 -3.453 1.00 3.22 C ATOM 764 C ASP A 50 -6.026 12.897 -3.695 1.00 12.40 C ATOM 765 O ASP A 50 -7.217 12.964 -3.373 1.00 24.44 O ATOM 766 CB ASP A 50 -4.756 14.786 -4.777 1.00 3.31 C ATOM 767 CG ASP A 50 -3.738 15.901 -4.597 1.00 64.34 C ATOM 768 OD1 ASP A 50 -2.526 15.600 -4.500 1.00 11.31 O ATOM 769 OD2 ASP A 50 -4.140 17.078 -4.517 1.00 60.54 O ATOM 0 H ASP A 50 -2.981 13.869 -3.381 1.00 23.21 H new ATOM 0 HA ASP A 50 -5.571 14.771 -2.773 1.00 3.22 H new ATOM 0 HB2 ASP A 50 -4.375 14.058 -5.494 1.00 3.31 H new ATOM 0 HB3 ASP A 50 -5.675 15.196 -5.196 1.00 3.31 H new ATOM 774 N ARG A 51 -5.489 11.811 -4.257 1.00 42.25 N ATOM 775 CA ARG A 51 -6.269 10.596 -4.536 1.00 71.42 C ATOM 776 C ARG A 51 -6.916 10.037 -3.262 1.00 4.33 C ATOM 777 O ARG A 51 -8.132 9.824 -3.202 1.00 70.34 O ATOM 778 CB ARG A 51 -5.357 9.526 -5.161 1.00 50.25 C ATOM 779 CG ARG A 51 -4.842 9.890 -6.548 1.00 15.44 C ATOM 780 CD ARG A 51 -5.959 9.870 -7.581 1.00 54.50 C ATOM 781 NE ARG A 51 -5.577 10.548 -8.819 1.00 75.13 N ATOM 782 CZ ARG A 51 -5.976 10.188 -10.010 1.00 52.52 C ATOM 783 NH1 ARG A 51 -6.745 9.158 -10.170 1.00 55.43 N ATOM 784 NH2 ARG A 51 -5.601 10.866 -11.044 1.00 42.54 N ATOM 0 H ARG A 51 -4.509 11.746 -4.531 1.00 42.25 H new ATOM 0 HA ARG A 51 -7.065 10.861 -5.232 1.00 71.42 H new ATOM 0 HB2 ARG A 51 -4.506 9.357 -4.501 1.00 50.25 H new ATOM 0 HB3 ARG A 51 -5.905 8.586 -5.222 1.00 50.25 H new ATOM 0 HG2 ARG A 51 -4.388 10.881 -6.520 1.00 15.44 H new ATOM 0 HG3 ARG A 51 -4.060 9.190 -6.842 1.00 15.44 H new ATOM 0 HD2 ARG A 51 -6.229 8.837 -7.802 1.00 54.50 H new ATOM 0 HD3 ARG A 51 -6.845 10.349 -7.165 1.00 54.50 H new ATOM 0 HE ARG A 51 -4.958 11.356 -8.748 1.00 75.13 H new ATOM 0 HH11 ARG A 51 -7.047 8.616 -9.360 1.00 55.43 H new ATOM 0 HH12 ARG A 51 -7.049 8.889 -11.106 1.00 55.43 H new ATOM 0 HH21 ARG A 51 -4.996 11.679 -10.929 1.00 42.54 H new ATOM 0 HH22 ARG A 51 -5.910 10.588 -11.975 1.00 42.54 H new ATOM 798 N ALA A 52 -6.097 9.810 -2.243 1.00 3.35 N ATOM 799 CA ALA A 52 -6.568 9.252 -0.979 1.00 11.32 C ATOM 800 C ALA A 52 -7.537 10.210 -0.264 1.00 52.53 C ATOM 801 O ALA A 52 -8.564 9.787 0.260 1.00 64.21 O ATOM 802 CB ALA A 52 -5.380 8.915 -0.088 1.00 62.31 C ATOM 0 H ALA A 52 -5.096 10.005 -2.267 1.00 3.35 H new ATOM 0 HA ALA A 52 -7.120 8.337 -1.194 1.00 11.32 H new ATOM 0 HB1 ALA A 52 -5.738 8.499 0.854 1.00 62.31 H new ATOM 0 HB2 ALA A 52 -4.745 8.185 -0.589 1.00 62.31 H new ATOM 0 HB3 ALA A 52 -4.806 9.820 0.110 1.00 62.31 H new ATOM 808 N SER A 53 -7.222 11.504 -0.267 1.00 61.32 N ATOM 809 CA SER A 53 -8.075 12.514 0.384 1.00 63.01 C ATOM 810 C SER A 53 -9.494 12.543 -0.216 1.00 20.13 C ATOM 811 O SER A 53 -10.446 12.992 0.428 1.00 73.11 O ATOM 812 CB SER A 53 -7.436 13.905 0.269 1.00 42.43 C ATOM 813 OG SER A 53 -8.205 14.890 0.949 1.00 53.34 O ATOM 0 H SER A 53 -6.386 11.884 -0.710 1.00 61.32 H new ATOM 0 HA SER A 53 -8.161 12.236 1.434 1.00 63.01 H new ATOM 0 HB2 SER A 53 -6.428 13.879 0.683 1.00 42.43 H new ATOM 0 HB3 SER A 53 -7.342 14.177 -0.782 1.00 42.43 H new ATOM 0 HG SER A 53 -7.771 15.764 0.858 1.00 53.34 H new ATOM 819 N SER A 54 -9.630 12.065 -1.452 1.00 52.42 N ATOM 820 CA SER A 54 -10.938 12.005 -2.126 1.00 55.20 C ATOM 821 C SER A 54 -11.642 10.654 -1.904 1.00 53.15 C ATOM 822 O SER A 54 -12.714 10.587 -1.295 1.00 52.01 O ATOM 823 CB SER A 54 -10.776 12.252 -3.635 1.00 21.45 C ATOM 824 OG SER A 54 -12.007 12.076 -4.326 1.00 14.34 O ATOM 0 H SER A 54 -8.854 11.712 -2.012 1.00 52.42 H new ATOM 0 HA SER A 54 -11.558 12.787 -1.687 1.00 55.20 H new ATOM 0 HB2 SER A 54 -10.405 13.263 -3.802 1.00 21.45 H new ATOM 0 HB3 SER A 54 -10.030 11.568 -4.039 1.00 21.45 H new ATOM 0 HG SER A 54 -11.872 12.242 -5.282 1.00 14.34 H new ATOM 830 N SER A 55 -11.025 9.574 -2.384 1.00 42.34 N ATOM 831 CA SER A 55 -11.659 8.241 -2.369 1.00 14.44 C ATOM 832 C SER A 55 -11.544 7.535 -1.007 1.00 72.02 C ATOM 833 O SER A 55 -12.203 6.523 -0.767 1.00 35.44 O ATOM 834 CB SER A 55 -11.035 7.352 -3.454 1.00 32.54 C ATOM 835 OG SER A 55 -11.136 7.952 -4.740 1.00 31.44 O ATOM 0 H SER A 55 -10.089 9.588 -2.789 1.00 42.34 H new ATOM 0 HA SER A 55 -12.720 8.398 -2.565 1.00 14.44 H new ATOM 0 HB2 SER A 55 -9.987 7.169 -3.218 1.00 32.54 H new ATOM 0 HB3 SER A 55 -11.534 6.383 -3.463 1.00 32.54 H new ATOM 0 HG SER A 55 -10.728 7.363 -5.409 1.00 31.44 H new ATOM 841 N LEU A 56 -10.714 8.071 -0.116 1.00 22.43 N ATOM 842 CA LEU A 56 -10.450 7.441 1.188 1.00 43.23 C ATOM 843 C LEU A 56 -10.657 8.410 2.353 1.00 51.13 C ATOM 844 O LEU A 56 -10.624 9.628 2.183 1.00 53.12 O ATOM 845 CB LEU A 56 -9.010 6.914 1.226 1.00 64.44 C ATOM 846 CG LEU A 56 -8.734 5.701 0.339 1.00 12.40 C ATOM 847 CD1 LEU A 56 -7.238 5.408 0.285 1.00 44.21 C ATOM 848 CD2 LEU A 56 -9.504 4.495 0.864 1.00 34.25 C ATOM 0 H LEU A 56 -10.208 8.943 -0.268 1.00 22.43 H new ATOM 0 HA LEU A 56 -11.161 6.623 1.301 1.00 43.23 H new ATOM 0 HB2 LEU A 56 -8.338 7.720 0.930 1.00 64.44 H new ATOM 0 HB3 LEU A 56 -8.763 6.654 2.255 1.00 64.44 H new ATOM 0 HG LEU A 56 -9.070 5.917 -0.675 1.00 12.40 H new ATOM 0 HD11 LEU A 56 -7.060 4.541 -0.351 1.00 44.21 H new ATOM 0 HD12 LEU A 56 -6.713 6.272 -0.123 1.00 44.21 H new ATOM 0 HD13 LEU A 56 -6.871 5.202 1.290 1.00 44.21 H new ATOM 0 HD21 LEU A 56 -9.305 3.632 0.229 1.00 34.25 H new ATOM 0 HD22 LEU A 56 -9.187 4.276 1.884 1.00 34.25 H new ATOM 0 HD23 LEU A 56 -10.572 4.713 0.855 1.00 34.25 H new ATOM 860 N GLU A 57 -10.890 7.858 3.538 1.00 31.02 N ATOM 861 CA GLU A 57 -10.932 8.654 4.762 1.00 45.33 C ATOM 862 C GLU A 57 -9.557 8.765 5.399 1.00 20.01 C ATOM 863 O GLU A 57 -8.588 8.162 4.948 1.00 13.23 O ATOM 864 CB GLU A 57 -11.874 8.042 5.800 1.00 74.31 C ATOM 865 CG GLU A 57 -13.327 7.999 5.379 1.00 44.42 C ATOM 866 CD GLU A 57 -13.723 6.669 4.748 1.00 34.25 C ATOM 867 OE1 GLU A 57 -13.241 6.361 3.639 1.00 43.00 O ATOM 868 OE2 GLU A 57 -14.507 5.920 5.366 1.00 33.31 O ATOM 0 H GLU A 57 -11.053 6.861 3.679 1.00 31.02 H new ATOM 0 HA GLU A 57 -11.291 9.640 4.468 1.00 45.33 H new ATOM 0 HB2 GLU A 57 -11.542 7.027 6.020 1.00 74.31 H new ATOM 0 HB3 GLU A 57 -11.794 8.611 6.726 1.00 74.31 H new ATOM 0 HG2 GLU A 57 -13.958 8.185 6.248 1.00 44.42 H new ATOM 0 HG3 GLU A 57 -13.518 8.803 4.669 1.00 44.42 H new ATOM 875 N LYS A 58 -9.505 9.507 6.487 1.00 61.31 N ATOM 876 CA LYS A 58 -8.267 9.650 7.263 1.00 43.03 C ATOM 877 C LYS A 58 -8.287 8.699 8.468 1.00 63.13 C ATOM 878 O LYS A 58 -7.246 8.329 9.019 1.00 44.41 O ATOM 879 CB LYS A 58 -8.078 11.113 7.692 1.00 43.10 C ATOM 880 CG LYS A 58 -8.003 12.071 6.502 1.00 42.34 C ATOM 881 CD LYS A 58 -7.606 13.488 6.913 1.00 40.12 C ATOM 882 CE LYS A 58 -7.496 14.412 5.701 1.00 43.24 C ATOM 883 NZ LYS A 58 -7.077 15.790 6.077 1.00 32.04 N ATOM 0 H LYS A 58 -10.300 10.024 6.862 1.00 61.31 H new ATOM 0 HA LYS A 58 -7.415 9.376 6.641 1.00 43.03 H new ATOM 0 HB2 LYS A 58 -8.904 11.407 8.339 1.00 43.10 H new ATOM 0 HB3 LYS A 58 -7.165 11.200 8.281 1.00 43.10 H new ATOM 0 HG2 LYS A 58 -7.281 11.691 5.779 1.00 42.34 H new ATOM 0 HG3 LYS A 58 -8.971 12.099 6.002 1.00 42.34 H new ATOM 0 HD2 LYS A 58 -8.344 13.886 7.610 1.00 40.12 H new ATOM 0 HD3 LYS A 58 -6.652 13.462 7.440 1.00 40.12 H new ATOM 0 HE2 LYS A 58 -6.778 13.996 4.994 1.00 43.24 H new ATOM 0 HE3 LYS A 58 -8.458 14.454 5.190 1.00 43.24 H new ATOM 0 HZ1 LYS A 58 -7.439 16.467 5.375 1.00 32.04 H new ATOM 0 HZ2 LYS A 58 -7.460 16.026 7.015 1.00 32.04 H new ATOM 0 HZ3 LYS A 58 -6.039 15.842 6.104 1.00 32.04 H new ATOM 897 N SER A 59 -9.494 8.295 8.849 1.00 25.01 N ATOM 898 CA SER A 59 -9.704 7.273 9.880 1.00 23.22 C ATOM 899 C SER A 59 -9.534 5.866 9.287 1.00 24.34 C ATOM 900 O SER A 59 -9.348 4.886 10.012 1.00 42.24 O ATOM 901 CB SER A 59 -11.114 7.411 10.466 1.00 44.13 C ATOM 902 OG SER A 59 -12.099 7.293 9.446 1.00 52.34 O ATOM 0 H SER A 59 -10.359 8.665 8.454 1.00 25.01 H new ATOM 0 HA SER A 59 -8.963 7.417 10.666 1.00 23.22 H new ATOM 0 HB2 SER A 59 -11.275 6.644 11.223 1.00 44.13 H new ATOM 0 HB3 SER A 59 -11.213 8.376 10.964 1.00 44.13 H new ATOM 0 HG SER A 59 -12.991 7.382 9.841 1.00 52.34 H new ATOM 908 N ARG A 60 -9.609 5.789 7.958 1.00 53.11 N ATOM 909 CA ARG A 60 -9.465 4.530 7.216 1.00 3.41 C ATOM 910 C ARG A 60 -8.101 3.865 7.487 1.00 74.14 C ATOM 911 O ARG A 60 -7.063 4.515 7.377 1.00 32.10 O ATOM 912 CB ARG A 60 -9.612 4.813 5.709 1.00 50.02 C ATOM 913 CG ARG A 60 -9.574 3.569 4.821 1.00 73.32 C ATOM 914 CD ARG A 60 -10.867 2.763 4.903 1.00 41.03 C ATOM 915 NE ARG A 60 -12.012 3.507 4.371 1.00 22.43 N ATOM 916 CZ ARG A 60 -13.071 2.951 3.846 1.00 50.22 C ATOM 917 NH1 ARG A 60 -13.175 1.663 3.770 1.00 22.54 N ATOM 918 NH2 ARG A 60 -14.031 3.691 3.401 1.00 14.31 N ATOM 0 H ARG A 60 -9.772 6.600 7.361 1.00 53.11 H new ATOM 0 HA ARG A 60 -10.243 3.844 7.551 1.00 3.41 H new ATOM 0 HB2 ARG A 60 -10.554 5.335 5.541 1.00 50.02 H new ATOM 0 HB3 ARG A 60 -8.814 5.488 5.400 1.00 50.02 H new ATOM 0 HG2 ARG A 60 -9.399 3.868 3.787 1.00 73.32 H new ATOM 0 HG3 ARG A 60 -8.735 2.939 5.117 1.00 73.32 H new ATOM 0 HD2 ARG A 60 -10.750 1.832 4.348 1.00 41.03 H new ATOM 0 HD3 ARG A 60 -11.061 2.493 5.941 1.00 41.03 H new ATOM 0 HE ARG A 60 -11.980 4.526 4.413 1.00 22.43 H new ATOM 0 HH11 ARG A 60 -12.424 1.069 4.123 1.00 22.54 H new ATOM 0 HH12 ARG A 60 -14.008 1.242 3.358 1.00 22.54 H new ATOM 0 HH21 ARG A 60 -13.961 4.707 3.460 1.00 14.31 H new ATOM 0 HH22 ARG A 60 -14.859 3.260 2.991 1.00 14.31 H new ATOM 932 N ASP A 61 -8.109 2.580 7.843 1.00 74.43 N ATOM 933 CA ASP A 61 -6.862 1.834 8.035 1.00 11.52 C ATOM 934 C ASP A 61 -6.161 1.582 6.691 1.00 65.41 C ATOM 935 O ASP A 61 -6.510 0.661 5.947 1.00 72.44 O ATOM 936 CB ASP A 61 -7.129 0.517 8.769 1.00 22.20 C ATOM 937 CG ASP A 61 -7.679 0.750 10.165 1.00 23.12 C ATOM 938 OD1 ASP A 61 -6.874 0.973 11.096 1.00 21.32 O ATOM 939 OD2 ASP A 61 -8.917 0.730 10.333 1.00 51.04 O ATOM 0 H ASP A 61 -8.957 2.036 8.004 1.00 74.43 H new ATOM 0 HA ASP A 61 -6.196 2.437 8.651 1.00 11.52 H new ATOM 0 HB2 ASP A 61 -7.836 -0.082 8.195 1.00 22.20 H new ATOM 0 HB3 ASP A 61 -6.204 -0.057 8.834 1.00 22.20 H new ATOM 944 N ILE A 62 -5.188 2.430 6.378 1.00 50.14 N ATOM 945 CA ILE A 62 -4.476 2.374 5.102 1.00 33.11 C ATOM 946 C ILE A 62 -3.060 1.792 5.255 1.00 14.13 C ATOM 947 O ILE A 62 -2.307 2.161 6.159 1.00 11.54 O ATOM 948 CB ILE A 62 -4.386 3.785 4.469 1.00 63.24 C ATOM 949 CG1 ILE A 62 -5.798 4.348 4.230 1.00 41.31 C ATOM 950 CG2 ILE A 62 -3.587 3.749 3.169 1.00 15.31 C ATOM 951 CD1 ILE A 62 -5.813 5.761 3.687 1.00 30.23 C ATOM 0 H ILE A 62 -4.869 3.175 6.998 1.00 50.14 H new ATOM 0 HA ILE A 62 -5.046 1.713 4.449 1.00 33.11 H new ATOM 0 HB ILE A 62 -3.862 4.443 5.162 1.00 63.24 H new ATOM 0 HG12 ILE A 62 -6.325 3.696 3.533 1.00 41.31 H new ATOM 0 HG13 ILE A 62 -6.351 4.324 5.169 1.00 41.31 H new ATOM 0 HG21 ILE A 62 -3.538 4.752 2.744 1.00 15.31 H new ATOM 0 HG22 ILE A 62 -2.578 3.391 3.372 1.00 15.31 H new ATOM 0 HG23 ILE A 62 -4.074 3.078 2.461 1.00 15.31 H new ATOM 0 HD11 ILE A 62 -6.844 6.086 3.546 1.00 30.23 H new ATOM 0 HD12 ILE A 62 -5.316 6.427 4.392 1.00 30.23 H new ATOM 0 HD13 ILE A 62 -5.290 5.789 2.731 1.00 30.23 H new ATOM 963 N TYR A 63 -2.709 0.881 4.356 1.00 3.12 N ATOM 964 CA TYR A 63 -1.379 0.274 4.330 1.00 51.33 C ATOM 965 C TYR A 63 -0.714 0.514 2.966 1.00 41.41 C ATOM 966 O TYR A 63 -1.185 0.037 1.932 1.00 71.11 O ATOM 967 CB TYR A 63 -1.478 -1.225 4.641 1.00 32.15 C ATOM 968 CG TYR A 63 -2.100 -1.507 6.002 1.00 24.35 C ATOM 969 CD1 TYR A 63 -1.323 -1.525 7.156 1.00 21.43 C ATOM 970 CD2 TYR A 63 -3.467 -1.744 6.130 1.00 42.41 C ATOM 971 CE1 TYR A 63 -1.888 -1.772 8.395 1.00 4.01 C ATOM 972 CE2 TYR A 63 -4.036 -1.990 7.365 1.00 73.53 C ATOM 973 CZ TYR A 63 -3.246 -2.004 8.494 1.00 60.10 C ATOM 974 OH TYR A 63 -3.815 -2.252 9.727 1.00 1.44 O ATOM 0 H TYR A 63 -3.334 0.541 3.625 1.00 3.12 H new ATOM 0 HA TYR A 63 -0.758 0.739 5.095 1.00 51.33 H new ATOM 0 HB2 TYR A 63 -2.071 -1.713 3.868 1.00 32.15 H new ATOM 0 HB3 TYR A 63 -0.482 -1.665 4.604 1.00 32.15 H new ATOM 0 HD1 TYR A 63 -0.261 -1.343 7.084 1.00 21.43 H new ATOM 0 HD2 TYR A 63 -4.092 -1.735 5.249 1.00 42.41 H new ATOM 0 HE1 TYR A 63 -1.270 -1.783 9.281 1.00 4.01 H new ATOM 0 HE2 TYR A 63 -5.098 -2.171 7.445 1.00 73.53 H new ATOM 0 HH TYR A 63 -3.305 -1.787 10.422 1.00 1.44 H new ATOM 984 N VAL A 64 0.381 1.265 2.978 1.00 23.23 N ATOM 985 CA VAL A 64 1.037 1.722 1.746 1.00 0.42 C ATOM 986 C VAL A 64 2.327 0.953 1.458 1.00 15.52 C ATOM 987 O VAL A 64 3.106 0.664 2.369 1.00 32.04 O ATOM 988 CB VAL A 64 1.358 3.233 1.844 1.00 62.11 C ATOM 989 CG1 VAL A 64 2.150 3.713 0.634 1.00 14.35 C ATOM 990 CG2 VAL A 64 0.077 4.046 2.012 1.00 73.24 C ATOM 0 H VAL A 64 0.841 1.576 3.833 1.00 23.23 H new ATOM 0 HA VAL A 64 0.343 1.536 0.926 1.00 0.42 H new ATOM 0 HB VAL A 64 1.980 3.385 2.726 1.00 62.11 H new ATOM 0 HG11 VAL A 64 2.359 4.778 0.735 1.00 14.35 H new ATOM 0 HG12 VAL A 64 3.089 3.163 0.573 1.00 14.35 H new ATOM 0 HG13 VAL A 64 1.569 3.541 -0.272 1.00 14.35 H new ATOM 0 HG21 VAL A 64 0.325 5.105 2.079 1.00 73.24 H new ATOM 0 HG22 VAL A 64 -0.575 3.879 1.155 1.00 73.24 H new ATOM 0 HG23 VAL A 64 -0.435 3.735 2.923 1.00 73.24 H new ATOM 1000 N TYR A 65 2.553 0.622 0.185 1.00 53.04 N ATOM 1001 CA TYR A 65 3.793 -0.026 -0.222 1.00 31.55 C ATOM 1002 C TYR A 65 4.312 0.514 -1.566 1.00 52.44 C ATOM 1003 O TYR A 65 3.551 0.729 -2.521 1.00 72.41 O ATOM 1004 CB TYR A 65 3.612 -1.549 -0.276 1.00 11.03 C ATOM 1005 CG TYR A 65 2.732 -2.065 -1.405 1.00 41.42 C ATOM 1006 CD1 TYR A 65 1.401 -1.680 -1.530 1.00 61.13 C ATOM 1007 CD2 TYR A 65 3.241 -2.957 -2.337 1.00 73.34 C ATOM 1008 CE1 TYR A 65 0.613 -2.173 -2.555 1.00 2.44 C ATOM 1009 CE2 TYR A 65 2.461 -3.456 -3.358 1.00 53.31 C ATOM 1010 CZ TYR A 65 1.149 -3.062 -3.466 1.00 31.14 C ATOM 1011 OH TYR A 65 0.365 -3.571 -4.477 1.00 33.03 O ATOM 0 H TYR A 65 1.895 0.793 -0.575 1.00 53.04 H new ATOM 0 HA TYR A 65 4.547 0.209 0.529 1.00 31.55 H new ATOM 0 HB2 TYR A 65 4.595 -2.011 -0.365 1.00 11.03 H new ATOM 0 HB3 TYR A 65 3.188 -1.881 0.672 1.00 11.03 H new ATOM 0 HD1 TYR A 65 0.977 -0.987 -0.818 1.00 61.13 H new ATOM 0 HD2 TYR A 65 4.272 -3.268 -2.261 1.00 73.34 H new ATOM 0 HE1 TYR A 65 -0.418 -1.864 -2.642 1.00 2.44 H new ATOM 0 HE2 TYR A 65 2.879 -4.153 -4.069 1.00 53.31 H new ATOM 0 HH TYR A 65 -0.474 -3.067 -4.525 1.00 33.03 H new ATOM 1021 N GLY A 66 5.611 0.773 -1.603 1.00 61.40 N ATOM 1022 CA GLY A 66 6.284 1.171 -2.830 1.00 3.22 C ATOM 1023 C GLY A 66 7.128 0.042 -3.407 1.00 13.23 C ATOM 1024 O GLY A 66 6.903 -1.129 -3.102 1.00 21.12 O ATOM 0 H GLY A 66 6.224 0.714 -0.790 1.00 61.40 H new ATOM 0 HA2 GLY A 66 5.543 1.483 -3.566 1.00 3.22 H new ATOM 0 HA3 GLY A 66 6.919 2.034 -2.632 1.00 3.22 H new ATOM 1028 N ALA A 67 8.088 0.387 -4.259 1.00 53.30 N ATOM 1029 CA ALA A 67 9.010 -0.609 -4.819 1.00 24.34 C ATOM 1030 C ALA A 67 10.075 -1.014 -3.790 1.00 61.13 C ATOM 1031 O ALA A 67 10.413 -2.194 -3.660 1.00 32.41 O ATOM 1032 CB ALA A 67 9.665 -0.071 -6.087 1.00 4.32 C ATOM 0 H ALA A 67 8.252 1.342 -4.579 1.00 53.30 H new ATOM 0 HA ALA A 67 8.435 -1.499 -5.075 1.00 24.34 H new ATOM 0 HB1 ALA A 67 10.346 -0.820 -6.491 1.00 4.32 H new ATOM 0 HB2 ALA A 67 8.896 0.156 -6.825 1.00 4.32 H new ATOM 0 HB3 ALA A 67 10.222 0.836 -5.852 1.00 4.32 H new ATOM 1038 N GLY A 68 10.602 -0.021 -3.072 1.00 41.53 N ATOM 1039 CA GLY A 68 11.560 -0.271 -1.997 1.00 73.11 C ATOM 1040 C GLY A 68 11.184 0.433 -0.692 1.00 31.14 C ATOM 1041 O GLY A 68 10.138 1.087 -0.605 1.00 74.43 O ATOM 0 H GLY A 68 10.381 0.964 -3.217 1.00 41.53 H new ATOM 0 HA2 GLY A 68 11.627 -1.344 -1.819 1.00 73.11 H new ATOM 0 HA3 GLY A 68 12.549 0.063 -2.313 1.00 73.11 H new ATOM 1045 N ASP A 69 12.040 0.307 0.321 1.00 11.44 N ATOM 1046 CA ASP A 69 11.800 0.903 1.645 1.00 64.13 C ATOM 1047 C ASP A 69 11.545 2.421 1.569 1.00 52.21 C ATOM 1048 O ASP A 69 10.555 2.924 2.109 1.00 64.55 O ATOM 1049 CB ASP A 69 13.007 0.645 2.557 1.00 0.30 C ATOM 1050 CG ASP A 69 13.318 -0.833 2.725 1.00 62.44 C ATOM 1051 OD1 ASP A 69 13.814 -1.454 1.759 1.00 45.30 O ATOM 1052 OD2 ASP A 69 13.066 -1.384 3.819 1.00 53.11 O ATOM 0 H ASP A 69 12.918 -0.208 0.253 1.00 11.44 H new ATOM 0 HA ASP A 69 10.904 0.432 2.050 1.00 64.13 H new ATOM 0 HB2 ASP A 69 13.881 1.150 2.146 1.00 0.30 H new ATOM 0 HB3 ASP A 69 12.816 1.084 3.536 1.00 0.30 H new ATOM 1057 N GLU A 70 12.437 3.137 0.885 1.00 62.23 N ATOM 1058 CA GLU A 70 12.395 4.606 0.840 1.00 1.25 C ATOM 1059 C GLU A 70 11.071 5.133 0.258 1.00 14.03 C ATOM 1060 O GLU A 70 10.404 5.963 0.876 1.00 22.23 O ATOM 1061 CB GLU A 70 13.587 5.140 0.030 1.00 10.51 C ATOM 1062 CG GLU A 70 13.701 6.662 0.023 1.00 52.44 C ATOM 1063 CD GLU A 70 14.981 7.150 -0.639 1.00 11.13 C ATOM 1064 OE1 GLU A 70 16.056 7.060 -0.007 1.00 33.03 O ATOM 1065 OE2 GLU A 70 14.927 7.629 -1.792 1.00 44.54 O ATOM 0 H GLU A 70 13.202 2.725 0.351 1.00 62.23 H new ATOM 0 HA GLU A 70 12.461 4.969 1.866 1.00 1.25 H new ATOM 0 HB2 GLU A 70 14.507 4.719 0.436 1.00 10.51 H new ATOM 0 HB3 GLU A 70 13.502 4.788 -0.998 1.00 10.51 H new ATOM 0 HG2 GLU A 70 12.842 7.085 -0.499 1.00 52.44 H new ATOM 0 HG3 GLU A 70 13.663 7.030 1.048 1.00 52.44 H new ATOM 1072 N GLN A 71 10.685 4.641 -0.922 1.00 64.30 N ATOM 1073 CA GLN A 71 9.424 5.061 -1.556 1.00 43.42 C ATOM 1074 C GLN A 71 8.220 4.747 -0.659 1.00 33.21 C ATOM 1075 O GLN A 71 7.305 5.562 -0.517 1.00 53.03 O ATOM 1076 CB GLN A 71 9.241 4.376 -2.915 1.00 41.31 C ATOM 1077 CG GLN A 71 7.988 4.834 -3.662 1.00 24.43 C ATOM 1078 CD GLN A 71 7.849 4.207 -5.037 1.00 42.00 C ATOM 1079 OE1 GLN A 71 8.280 3.081 -5.273 1.00 24.30 O ATOM 1080 NE2 GLN A 71 7.247 4.932 -5.956 1.00 24.34 N ATOM 0 H GLN A 71 11.220 3.957 -1.457 1.00 64.30 H new ATOM 0 HA GLN A 71 9.479 6.139 -1.704 1.00 43.42 H new ATOM 0 HB2 GLN A 71 10.116 4.573 -3.534 1.00 41.31 H new ATOM 0 HB3 GLN A 71 9.192 3.297 -2.766 1.00 41.31 H new ATOM 0 HG2 GLN A 71 7.108 4.588 -3.067 1.00 24.43 H new ATOM 0 HG3 GLN A 71 8.010 5.919 -3.765 1.00 24.43 H new ATOM 0 HE21 GLN A 71 6.901 5.863 -5.725 1.00 24.34 H new ATOM 0 HE22 GLN A 71 7.126 4.562 -6.899 1.00 24.34 H new ATOM 1089 N THR A 72 8.232 3.559 -0.059 1.00 0.31 N ATOM 1090 CA THR A 72 7.173 3.142 0.867 1.00 34.32 C ATOM 1091 C THR A 72 7.016 4.139 2.025 1.00 24.24 C ATOM 1092 O THR A 72 5.929 4.668 2.263 1.00 40.20 O ATOM 1093 CB THR A 72 7.469 1.736 1.453 1.00 15.42 C ATOM 1094 OG1 THR A 72 7.568 0.774 0.393 1.00 10.03 O ATOM 1095 CG2 THR A 72 6.393 1.294 2.438 1.00 41.11 C ATOM 0 H THR A 72 8.965 2.863 -0.196 1.00 0.31 H new ATOM 0 HA THR A 72 6.246 3.111 0.295 1.00 34.32 H new ATOM 0 HB THR A 72 8.415 1.798 1.991 1.00 15.42 H new ATOM 0 HG1 THR A 72 8.452 0.837 -0.025 1.00 10.03 H new ATOM 0 HG21 THR A 72 6.638 0.305 2.825 1.00 41.11 H new ATOM 0 HG22 THR A 72 6.341 2.004 3.263 1.00 41.11 H new ATOM 0 HG23 THR A 72 5.429 1.257 1.931 1.00 41.11 H new ATOM 1103 N SER A 73 8.118 4.408 2.723 1.00 53.01 N ATOM 1104 CA SER A 73 8.112 5.320 3.877 1.00 0.23 C ATOM 1105 C SER A 73 7.793 6.764 3.468 1.00 65.44 C ATOM 1106 O SER A 73 7.076 7.478 4.174 1.00 2.43 O ATOM 1107 CB SER A 73 9.467 5.287 4.590 1.00 64.32 C ATOM 1108 OG SER A 73 9.443 6.090 5.759 1.00 0.15 O ATOM 0 H SER A 73 9.032 4.008 2.512 1.00 53.01 H new ATOM 0 HA SER A 73 7.328 4.975 4.551 1.00 0.23 H new ATOM 0 HB2 SER A 73 9.718 4.260 4.854 1.00 64.32 H new ATOM 0 HB3 SER A 73 10.246 5.642 3.916 1.00 64.32 H new ATOM 0 HG SER A 73 9.035 5.586 6.494 1.00 0.15 H new ATOM 1114 N GLN A 74 8.322 7.185 2.320 1.00 61.45 N ATOM 1115 CA GLN A 74 8.130 8.539 1.818 1.00 50.21 C ATOM 1116 C GLN A 74 6.654 8.805 1.486 1.00 41.24 C ATOM 1117 O GLN A 74 6.095 9.836 1.863 1.00 44.11 O ATOM 1118 CB GLN A 74 9.024 8.741 0.585 1.00 32.52 C ATOM 1119 CG GLN A 74 8.582 9.864 -0.329 1.00 12.54 C ATOM 1120 CD GLN A 74 9.566 10.126 -1.456 1.00 13.24 C ATOM 1121 OE1 GLN A 74 9.478 9.545 -2.532 1.00 20.41 O ATOM 1122 NE2 GLN A 74 10.522 10.998 -1.208 1.00 73.15 N ATOM 0 H GLN A 74 8.894 6.596 1.715 1.00 61.45 H new ATOM 0 HA GLN A 74 8.413 9.255 2.590 1.00 50.21 H new ATOM 0 HB2 GLN A 74 10.043 8.939 0.918 1.00 32.52 H new ATOM 0 HB3 GLN A 74 9.050 7.813 0.014 1.00 32.52 H new ATOM 0 HG2 GLN A 74 7.608 9.620 -0.753 1.00 12.54 H new ATOM 0 HG3 GLN A 74 8.456 10.775 0.256 1.00 12.54 H new ATOM 0 HE21 GLN A 74 10.565 11.463 -0.301 1.00 73.15 H new ATOM 0 HE22 GLN A 74 11.219 11.208 -1.923 1.00 73.15 H new ATOM 1131 N ALA A 75 6.024 7.864 0.789 1.00 5.40 N ATOM 1132 CA ALA A 75 4.595 7.964 0.470 1.00 72.10 C ATOM 1133 C ALA A 75 3.736 8.013 1.743 1.00 75.11 C ATOM 1134 O ALA A 75 2.841 8.851 1.871 1.00 22.21 O ATOM 1135 CB ALA A 75 4.178 6.793 -0.403 1.00 53.50 C ATOM 0 H ALA A 75 6.476 7.022 0.432 1.00 5.40 H new ATOM 0 HA ALA A 75 4.433 8.895 -0.073 1.00 72.10 H new ATOM 0 HB1 ALA A 75 3.116 6.873 -0.636 1.00 53.50 H new ATOM 0 HB2 ALA A 75 4.755 6.805 -1.328 1.00 53.50 H new ATOM 0 HB3 ALA A 75 4.363 5.859 0.128 1.00 53.50 H new ATOM 1141 N VAL A 76 4.012 7.106 2.678 1.00 41.41 N ATOM 1142 CA VAL A 76 3.341 7.115 3.985 1.00 50.34 C ATOM 1143 C VAL A 76 3.524 8.470 4.692 1.00 42.22 C ATOM 1144 O VAL A 76 2.592 8.984 5.321 1.00 73.20 O ATOM 1145 CB VAL A 76 3.866 5.974 4.892 1.00 42.52 C ATOM 1146 CG1 VAL A 76 3.280 6.068 6.300 1.00 44.15 C ATOM 1147 CG2 VAL A 76 3.550 4.616 4.265 1.00 53.13 C ATOM 0 H VAL A 76 4.693 6.356 2.560 1.00 41.41 H new ATOM 0 HA VAL A 76 2.278 6.955 3.805 1.00 50.34 H new ATOM 0 HB VAL A 76 4.947 6.079 4.978 1.00 42.52 H new ATOM 0 HG11 VAL A 76 3.668 5.253 6.911 1.00 44.15 H new ATOM 0 HG12 VAL A 76 3.559 7.022 6.747 1.00 44.15 H new ATOM 0 HG13 VAL A 76 2.194 5.996 6.248 1.00 44.15 H new ATOM 0 HG21 VAL A 76 3.923 3.821 4.911 1.00 53.13 H new ATOM 0 HG22 VAL A 76 2.471 4.512 4.148 1.00 53.13 H new ATOM 0 HG23 VAL A 76 4.030 4.546 3.289 1.00 53.13 H new ATOM 1157 N ASN A 77 4.721 9.046 4.571 1.00 63.40 N ATOM 1158 CA ASN A 77 5.001 10.386 5.100 1.00 72.35 C ATOM 1159 C ASN A 77 4.008 11.408 4.536 1.00 62.24 C ATOM 1160 O ASN A 77 3.464 12.243 5.257 1.00 63.45 O ATOM 1161 CB ASN A 77 6.425 10.813 4.731 1.00 4.43 C ATOM 1162 CG ASN A 77 6.848 12.103 5.409 1.00 50.42 C ATOM 1163 OD1 ASN A 77 6.438 12.398 6.526 1.00 71.52 O ATOM 1164 ND2 ASN A 77 7.658 12.891 4.733 1.00 51.12 N ATOM 0 H ASN A 77 5.517 8.605 4.110 1.00 63.40 H new ATOM 0 HA ASN A 77 4.899 10.350 6.185 1.00 72.35 H new ATOM 0 HB2 ASN A 77 7.120 10.019 5.005 1.00 4.43 H new ATOM 0 HB3 ASN A 77 6.493 10.937 3.650 1.00 4.43 H new ATOM 0 HD21 ASN A 77 7.963 13.777 5.137 1.00 51.12 H new ATOM 0 HD22 ASN A 77 7.981 12.616 3.805 1.00 51.12 H new ATOM 1171 N LEU A 78 3.775 11.314 3.236 1.00 34.44 N ATOM 1172 CA LEU A 78 2.877 12.219 2.524 1.00 54.25 C ATOM 1173 C LEU A 78 1.420 12.094 3.012 1.00 71.30 C ATOM 1174 O LEU A 78 0.701 13.093 3.104 1.00 52.31 O ATOM 1175 CB LEU A 78 2.990 11.925 1.026 1.00 71.03 C ATOM 1176 CG LEU A 78 4.405 12.129 0.458 1.00 1.30 C ATOM 1177 CD1 LEU A 78 4.560 11.450 -0.898 1.00 22.35 C ATOM 1178 CD2 LEU A 78 4.740 13.615 0.361 1.00 50.33 C ATOM 0 H LEU A 78 4.204 10.606 2.640 1.00 34.44 H new ATOM 0 HA LEU A 78 3.173 13.249 2.725 1.00 54.25 H new ATOM 0 HB2 LEU A 78 2.680 10.896 0.843 1.00 71.03 H new ATOM 0 HB3 LEU A 78 2.295 12.568 0.486 1.00 71.03 H new ATOM 0 HG LEU A 78 5.110 11.663 1.146 1.00 1.30 H new ATOM 0 HD11 LEU A 78 5.571 11.612 -1.273 1.00 22.35 H new ATOM 0 HD12 LEU A 78 4.380 10.380 -0.792 1.00 22.35 H new ATOM 0 HD13 LEU A 78 3.841 11.871 -1.600 1.00 22.35 H new ATOM 0 HD21 LEU A 78 5.745 13.736 -0.043 1.00 50.33 H new ATOM 0 HD22 LEU A 78 4.023 14.107 -0.296 1.00 50.33 H new ATOM 0 HD23 LEU A 78 4.691 14.064 1.353 1.00 50.33 H new ATOM 1190 N LEU A 79 0.993 10.873 3.342 1.00 44.22 N ATOM 1191 CA LEU A 79 -0.361 10.644 3.871 1.00 40.04 C ATOM 1192 C LEU A 79 -0.494 11.115 5.326 1.00 61.40 C ATOM 1193 O LEU A 79 -1.435 11.836 5.667 1.00 32.23 O ATOM 1194 CB LEU A 79 -0.752 9.166 3.758 1.00 63.41 C ATOM 1195 CG LEU A 79 -1.005 8.667 2.328 1.00 34.33 C ATOM 1196 CD1 LEU A 79 -1.396 7.194 2.339 1.00 43.01 C ATOM 1197 CD2 LEU A 79 -2.085 9.505 1.646 1.00 1.11 C ATOM 0 H LEU A 79 1.559 10.029 3.254 1.00 44.22 H new ATOM 0 HA LEU A 79 -1.044 11.237 3.263 1.00 40.04 H new ATOM 0 HB2 LEU A 79 0.039 8.562 4.202 1.00 63.41 H new ATOM 0 HB3 LEU A 79 -1.652 8.998 4.349 1.00 63.41 H new ATOM 0 HG LEU A 79 -0.081 8.775 1.759 1.00 34.33 H new ATOM 0 HD11 LEU A 79 -1.572 6.857 1.318 1.00 43.01 H new ATOM 0 HD12 LEU A 79 -0.591 6.607 2.782 1.00 43.01 H new ATOM 0 HD13 LEU A 79 -2.305 7.063 2.926 1.00 43.01 H new ATOM 0 HD21 LEU A 79 -2.248 9.134 0.634 1.00 1.11 H new ATOM 0 HD22 LEU A 79 -3.013 9.433 2.213 1.00 1.11 H new ATOM 0 HD23 LEU A 79 -1.765 10.546 1.604 1.00 1.11 H new ATOM 1209 N ARG A 80 0.443 10.715 6.190 1.00 64.10 N ATOM 1210 CA ARG A 80 0.425 11.171 7.587 1.00 34.01 C ATOM 1211 C ARG A 80 0.558 12.705 7.652 1.00 42.22 C ATOM 1212 O ARG A 80 0.008 13.347 8.545 1.00 4.10 O ATOM 1213 CB ARG A 80 1.527 10.486 8.418 1.00 14.23 C ATOM 1214 CG ARG A 80 2.946 10.825 7.982 1.00 64.04 C ATOM 1215 CD ARG A 80 4.001 10.189 8.888 1.00 35.23 C ATOM 1216 NE ARG A 80 3.952 8.723 8.862 1.00 24.11 N ATOM 1217 CZ ARG A 80 4.982 7.940 9.064 1.00 41.20 C ATOM 1218 NH1 ARG A 80 6.147 8.438 9.332 1.00 42.22 N ATOM 1219 NH2 ARG A 80 4.835 6.654 9.015 1.00 15.34 N ATOM 0 H ARG A 80 1.212 10.087 5.955 1.00 64.10 H new ATOM 0 HA ARG A 80 -0.534 10.888 8.022 1.00 34.01 H new ATOM 0 HB2 ARG A 80 1.404 10.767 9.464 1.00 14.23 H new ATOM 0 HB3 ARG A 80 1.390 9.406 8.360 1.00 14.23 H new ATOM 0 HG2 ARG A 80 3.099 10.487 6.957 1.00 64.04 H new ATOM 0 HG3 ARG A 80 3.075 11.907 7.983 1.00 64.04 H new ATOM 0 HD2 ARG A 80 4.991 10.522 8.577 1.00 35.23 H new ATOM 0 HD3 ARG A 80 3.855 10.536 9.911 1.00 35.23 H new ATOM 0 HE ARG A 80 3.052 8.282 8.673 1.00 24.11 H new ATOM 0 HH11 ARG A 80 6.269 9.449 9.387 1.00 42.22 H new ATOM 0 HH12 ARG A 80 6.943 7.819 9.488 1.00 42.22 H new ATOM 0 HH21 ARG A 80 3.918 6.253 8.819 1.00 15.34 H new ATOM 0 HH22 ARG A 80 5.636 6.043 9.172 1.00 15.34 H new ATOM 1233 N SER A 81 1.279 13.285 6.686 1.00 32.21 N ATOM 1234 CA SER A 81 1.348 14.751 6.538 1.00 51.42 C ATOM 1235 C SER A 81 -0.018 15.346 6.158 1.00 64.02 C ATOM 1236 O SER A 81 -0.331 16.482 6.515 1.00 62.44 O ATOM 1237 CB SER A 81 2.388 15.137 5.473 1.00 74.12 C ATOM 1238 OG SER A 81 2.319 16.522 5.144 1.00 12.34 O ATOM 0 H SER A 81 1.823 12.768 5.995 1.00 32.21 H new ATOM 0 HA SER A 81 1.646 15.160 7.503 1.00 51.42 H new ATOM 0 HB2 SER A 81 3.387 14.899 5.838 1.00 74.12 H new ATOM 0 HB3 SER A 81 2.227 14.541 4.575 1.00 74.12 H new ATOM 0 HG SER A 81 2.995 16.731 4.466 1.00 12.34 H new ATOM 1244 N ALA A 82 -0.829 14.573 5.431 1.00 43.51 N ATOM 1245 CA ALA A 82 -2.165 15.021 5.013 1.00 42.31 C ATOM 1246 C ALA A 82 -3.212 14.847 6.133 1.00 30.13 C ATOM 1247 O ALA A 82 -4.384 15.198 5.969 1.00 15.32 O ATOM 1248 CB ALA A 82 -2.597 14.270 3.755 1.00 44.21 C ATOM 0 H ALA A 82 -0.586 13.633 5.118 1.00 43.51 H new ATOM 0 HA ALA A 82 -2.104 16.087 4.794 1.00 42.31 H new ATOM 0 HB1 ALA A 82 -3.588 14.608 3.452 1.00 44.21 H new ATOM 0 HB2 ALA A 82 -1.886 14.465 2.952 1.00 44.21 H new ATOM 0 HB3 ALA A 82 -2.626 13.200 3.962 1.00 44.21 H new ATOM 1254 N GLY A 83 -2.788 14.299 7.273 1.00 13.10 N ATOM 1255 CA GLY A 83 -3.686 14.146 8.416 1.00 24.52 C ATOM 1256 C GLY A 83 -4.343 12.769 8.506 1.00 34.42 C ATOM 1257 O GLY A 83 -5.241 12.559 9.324 1.00 72.31 O ATOM 0 H GLY A 83 -1.839 13.958 7.428 1.00 13.10 H new ATOM 0 HA2 GLY A 83 -3.126 14.332 9.333 1.00 24.52 H new ATOM 0 HA3 GLY A 83 -4.465 14.906 8.358 1.00 24.52 H new ATOM 1261 N PHE A 84 -3.910 11.833 7.664 1.00 2.33 N ATOM 1262 CA PHE A 84 -4.425 10.459 7.718 1.00 41.31 C ATOM 1263 C PHE A 84 -3.996 9.757 9.020 1.00 53.13 C ATOM 1264 O PHE A 84 -2.814 9.462 9.221 1.00 35.33 O ATOM 1265 CB PHE A 84 -3.949 9.649 6.505 1.00 63.33 C ATOM 1266 CG PHE A 84 -4.650 9.977 5.207 1.00 44.43 C ATOM 1267 CD1 PHE A 84 -4.285 11.086 4.459 1.00 53.02 C ATOM 1268 CD2 PHE A 84 -5.665 9.157 4.724 1.00 1.41 C ATOM 1269 CE1 PHE A 84 -4.915 11.371 3.260 1.00 51.21 C ATOM 1270 CE2 PHE A 84 -6.299 9.441 3.532 1.00 74.43 C ATOM 1271 CZ PHE A 84 -5.924 10.547 2.799 1.00 12.55 C ATOM 0 H PHE A 84 -3.210 11.995 6.940 1.00 2.33 H new ATOM 0 HA PHE A 84 -5.513 10.515 7.697 1.00 41.31 H new ATOM 0 HB2 PHE A 84 -2.879 9.812 6.375 1.00 63.33 H new ATOM 0 HB3 PHE A 84 -4.086 8.589 6.718 1.00 63.33 H new ATOM 0 HD1 PHE A 84 -3.499 11.735 4.816 1.00 53.02 H new ATOM 0 HD2 PHE A 84 -5.961 8.286 5.290 1.00 1.41 H new ATOM 0 HE1 PHE A 84 -4.618 12.236 2.686 1.00 51.21 H new ATOM 0 HE2 PHE A 84 -7.089 8.797 3.173 1.00 74.43 H new ATOM 0 HZ PHE A 84 -6.419 10.769 1.865 1.00 12.55 H new ATOM 1281 N GLU A 85 -4.967 9.490 9.896 1.00 71.31 N ATOM 1282 CA GLU A 85 -4.704 8.870 11.201 1.00 72.11 C ATOM 1283 C GLU A 85 -4.088 7.472 11.063 1.00 1.13 C ATOM 1284 O GLU A 85 -3.039 7.176 11.640 1.00 41.02 O ATOM 1285 CB GLU A 85 -6.005 8.742 12.004 1.00 23.12 C ATOM 1286 CG GLU A 85 -6.708 10.058 12.306 1.00 43.11 C ATOM 1287 CD GLU A 85 -7.949 9.846 13.160 1.00 54.40 C ATOM 1288 OE1 GLU A 85 -9.017 9.519 12.601 1.00 11.31 O ATOM 1289 OE2 GLU A 85 -7.849 9.967 14.400 1.00 53.34 O ATOM 0 H GLU A 85 -5.951 9.695 9.725 1.00 71.31 H new ATOM 0 HA GLU A 85 -3.996 9.518 11.717 1.00 72.11 H new ATOM 0 HB2 GLU A 85 -6.692 8.099 11.454 1.00 23.12 H new ATOM 0 HB3 GLU A 85 -5.785 8.241 12.946 1.00 23.12 H new ATOM 0 HG2 GLU A 85 -6.021 10.728 12.822 1.00 43.11 H new ATOM 0 HG3 GLU A 85 -6.987 10.545 11.372 1.00 43.11 H new ATOM 1296 N HIS A 86 -4.762 6.604 10.311 1.00 60.53 N ATOM 1297 CA HIS A 86 -4.362 5.196 10.216 1.00 70.25 C ATOM 1298 C HIS A 86 -3.577 4.903 8.925 1.00 51.40 C ATOM 1299 O HIS A 86 -4.153 4.502 7.918 1.00 75.42 O ATOM 1300 CB HIS A 86 -5.596 4.282 10.295 1.00 55.43 C ATOM 1301 CG HIS A 86 -6.365 4.387 11.581 1.00 15.52 C ATOM 1302 ND1 HIS A 86 -6.567 3.317 12.424 1.00 75.12 N ATOM 1303 CD2 HIS A 86 -7.001 5.434 12.158 1.00 52.41 C ATOM 1304 CE1 HIS A 86 -7.283 3.700 13.461 1.00 30.02 C ATOM 1305 NE2 HIS A 86 -7.562 4.980 13.325 1.00 51.51 N ATOM 0 H HIS A 86 -5.585 6.847 9.759 1.00 60.53 H new ATOM 0 HA HIS A 86 -3.702 4.992 11.059 1.00 70.25 H new ATOM 0 HB2 HIS A 86 -6.263 4.520 9.467 1.00 55.43 H new ATOM 0 HB3 HIS A 86 -5.277 3.249 10.160 1.00 55.43 H new ATOM 0 HD1 HIS A 86 -6.216 2.372 12.269 1.00 75.12 H new ATOM 0 HD2 HIS A 86 -7.056 6.441 11.771 1.00 52.41 H new ATOM 0 HE1 HIS A 86 -7.589 3.071 14.284 1.00 30.02 H new ATOM 1314 N VAL A 87 -2.263 5.126 8.953 1.00 12.34 N ATOM 1315 CA VAL A 87 -1.392 4.758 7.828 1.00 65.32 C ATOM 1316 C VAL A 87 -0.142 4.016 8.325 1.00 45.13 C ATOM 1317 O VAL A 87 0.546 4.480 9.238 1.00 22.34 O ATOM 1318 CB VAL A 87 -0.941 5.992 7.003 1.00 75.22 C ATOM 1319 CG1 VAL A 87 -0.199 5.555 5.738 1.00 53.05 C ATOM 1320 CG2 VAL A 87 -2.127 6.880 6.648 1.00 25.23 C ATOM 0 H VAL A 87 -1.776 5.558 9.738 1.00 12.34 H new ATOM 0 HA VAL A 87 -1.983 4.107 7.184 1.00 65.32 H new ATOM 0 HB VAL A 87 -0.257 6.575 7.621 1.00 75.22 H new ATOM 0 HG11 VAL A 87 0.108 6.436 5.174 1.00 53.05 H new ATOM 0 HG12 VAL A 87 0.682 4.975 6.015 1.00 53.05 H new ATOM 0 HG13 VAL A 87 -0.858 4.942 5.123 1.00 53.05 H new ATOM 0 HG21 VAL A 87 -1.780 7.737 6.070 1.00 25.23 H new ATOM 0 HG22 VAL A 87 -2.844 6.310 6.057 1.00 25.23 H new ATOM 0 HG23 VAL A 87 -2.606 7.230 7.562 1.00 25.23 H new ATOM 1330 N SER A 88 0.148 2.865 7.728 1.00 63.44 N ATOM 1331 CA SER A 88 1.321 2.068 8.119 1.00 65.42 C ATOM 1332 C SER A 88 2.170 1.655 6.908 1.00 62.21 C ATOM 1333 O SER A 88 1.647 1.343 5.835 1.00 24.51 O ATOM 1334 CB SER A 88 0.889 0.822 8.905 1.00 60.33 C ATOM 1335 OG SER A 88 0.268 1.172 10.132 1.00 31.14 O ATOM 0 H SER A 88 -0.406 2.459 6.974 1.00 63.44 H new ATOM 0 HA SER A 88 1.939 2.701 8.756 1.00 65.42 H new ATOM 0 HB2 SER A 88 0.199 0.231 8.302 1.00 60.33 H new ATOM 0 HB3 SER A 88 1.758 0.195 9.102 1.00 60.33 H new ATOM 0 HG SER A 88 0.951 1.274 10.827 1.00 31.14 H new ATOM 1341 N GLU A 89 3.485 1.656 7.108 1.00 64.22 N ATOM 1342 CA GLU A 89 4.461 1.291 6.074 1.00 2.25 C ATOM 1343 C GLU A 89 4.569 -0.240 5.925 1.00 62.51 C ATOM 1344 O GLU A 89 4.917 -0.938 6.879 1.00 54.22 O ATOM 1345 CB GLU A 89 5.824 1.894 6.461 1.00 12.34 C ATOM 1346 CG GLU A 89 5.781 3.413 6.640 1.00 24.12 C ATOM 1347 CD GLU A 89 6.949 3.983 7.438 1.00 43.12 C ATOM 1348 OE1 GLU A 89 8.113 3.763 7.045 1.00 55.41 O ATOM 1349 OE2 GLU A 89 6.706 4.668 8.458 1.00 33.10 O ATOM 0 H GLU A 89 3.911 1.912 7.999 1.00 64.22 H new ATOM 0 HA GLU A 89 4.136 1.686 5.112 1.00 2.25 H new ATOM 0 HB2 GLU A 89 6.167 1.435 7.388 1.00 12.34 H new ATOM 0 HB3 GLU A 89 6.556 1.646 5.692 1.00 12.34 H new ATOM 0 HG2 GLU A 89 5.764 3.883 5.657 1.00 24.12 H new ATOM 0 HG3 GLU A 89 4.850 3.682 7.138 1.00 24.12 H new ATOM 1356 N LEU A 90 4.261 -0.768 4.737 1.00 1.42 N ATOM 1357 CA LEU A 90 4.305 -2.221 4.511 1.00 55.03 C ATOM 1358 C LEU A 90 5.750 -2.726 4.339 1.00 13.44 C ATOM 1359 O LEU A 90 6.430 -2.394 3.367 1.00 11.40 O ATOM 1360 CB LEU A 90 3.462 -2.606 3.287 1.00 2.35 C ATOM 1361 CG LEU A 90 3.302 -4.120 3.057 1.00 53.25 C ATOM 1362 CD1 LEU A 90 2.623 -4.782 4.255 1.00 44.25 C ATOM 1363 CD2 LEU A 90 2.521 -4.394 1.773 1.00 44.51 C ATOM 0 H LEU A 90 3.981 -0.221 3.923 1.00 1.42 H new ATOM 0 HA LEU A 90 3.885 -2.700 5.395 1.00 55.03 H new ATOM 0 HB2 LEU A 90 2.472 -2.163 3.393 1.00 2.35 H new ATOM 0 HB3 LEU A 90 3.915 -2.165 2.399 1.00 2.35 H new ATOM 0 HG LEU A 90 4.296 -4.553 2.948 1.00 53.25 H new ATOM 0 HD11 LEU A 90 2.521 -5.851 4.070 1.00 44.25 H new ATOM 0 HD12 LEU A 90 3.227 -4.625 5.148 1.00 44.25 H new ATOM 0 HD13 LEU A 90 1.636 -4.343 4.402 1.00 44.25 H new ATOM 0 HD21 LEU A 90 2.420 -5.470 1.631 1.00 44.51 H new ATOM 0 HD22 LEU A 90 1.531 -3.943 1.846 1.00 44.51 H new ATOM 0 HD23 LEU A 90 3.054 -3.964 0.925 1.00 44.51 H new ATOM 1375 N LYS A 91 6.198 -3.548 5.284 1.00 74.41 N ATOM 1376 CA LYS A 91 7.574 -4.059 5.292 1.00 44.34 C ATOM 1377 C LYS A 91 7.825 -5.090 4.176 1.00 24.25 C ATOM 1378 O LYS A 91 7.215 -6.161 4.154 1.00 62.44 O ATOM 1379 CB LYS A 91 7.889 -4.685 6.659 1.00 12.24 C ATOM 1380 CG LYS A 91 7.942 -3.672 7.796 1.00 52.01 C ATOM 1381 CD LYS A 91 8.310 -4.321 9.131 1.00 23.30 C ATOM 1382 CE LYS A 91 7.286 -5.368 9.555 1.00 50.13 C ATOM 1383 NZ LYS A 91 7.588 -5.939 10.895 1.00 40.41 N ATOM 0 H LYS A 91 5.627 -3.879 6.061 1.00 74.41 H new ATOM 0 HA LYS A 91 8.235 -3.213 5.107 1.00 44.34 H new ATOM 0 HB2 LYS A 91 7.133 -5.436 6.888 1.00 12.24 H new ATOM 0 HB3 LYS A 91 8.846 -5.203 6.600 1.00 12.24 H new ATOM 0 HG2 LYS A 91 8.671 -2.898 7.557 1.00 52.01 H new ATOM 0 HG3 LYS A 91 6.974 -3.180 7.888 1.00 52.01 H new ATOM 0 HD2 LYS A 91 9.293 -4.786 9.050 1.00 23.30 H new ATOM 0 HD3 LYS A 91 8.383 -3.552 9.900 1.00 23.30 H new ATOM 0 HE2 LYS A 91 6.293 -4.918 9.569 1.00 50.13 H new ATOM 0 HE3 LYS A 91 7.262 -6.170 8.817 1.00 50.13 H new ATOM 0 HZ1 LYS A 91 6.703 -6.234 11.354 1.00 40.41 H new ATOM 0 HZ2 LYS A 91 8.214 -6.762 10.788 1.00 40.41 H new ATOM 0 HZ3 LYS A 91 8.058 -5.220 11.481 1.00 40.41 H new ATOM 1397 N GLY A 92 8.728 -4.751 3.254 1.00 13.11 N ATOM 1398 CA GLY A 92 9.153 -5.691 2.216 1.00 32.04 C ATOM 1399 C GLY A 92 8.594 -5.388 0.827 1.00 2.53 C ATOM 1400 O GLY A 92 9.104 -5.900 -0.176 1.00 65.34 O ATOM 0 H GLY A 92 9.177 -3.837 3.205 1.00 13.11 H new ATOM 0 HA2 GLY A 92 10.242 -5.690 2.165 1.00 32.04 H new ATOM 0 HA3 GLY A 92 8.849 -6.697 2.506 1.00 32.04 H new ATOM 1404 N GLY A 93 7.544 -4.573 0.759 1.00 65.40 N ATOM 1405 CA GLY A 93 6.930 -4.246 -0.527 1.00 3.04 C ATOM 1406 C GLY A 93 6.175 -5.419 -1.155 1.00 12.04 C ATOM 1407 O GLY A 93 5.742 -6.343 -0.457 1.00 52.24 O ATOM 0 H GLY A 93 7.105 -4.132 1.567 1.00 65.40 H new ATOM 0 HA2 GLY A 93 6.242 -3.412 -0.391 1.00 3.04 H new ATOM 0 HA3 GLY A 93 7.705 -3.911 -1.217 1.00 3.04 H new ATOM 1411 N LEU A 94 6.027 -5.388 -2.481 1.00 34.55 N ATOM 1412 CA LEU A 94 5.291 -6.431 -3.207 1.00 31.21 C ATOM 1413 C LEU A 94 6.053 -7.768 -3.204 1.00 13.33 C ATOM 1414 O LEU A 94 5.457 -8.830 -3.032 1.00 72.22 O ATOM 1415 CB LEU A 94 5.017 -5.987 -4.651 1.00 63.32 C ATOM 1416 CG LEU A 94 4.138 -6.947 -5.472 1.00 74.30 C ATOM 1417 CD1 LEU A 94 2.736 -7.052 -4.871 1.00 5.33 C ATOM 1418 CD2 LEU A 94 4.067 -6.509 -6.933 1.00 24.11 C ATOM 0 H LEU A 94 6.407 -4.652 -3.077 1.00 34.55 H new ATOM 0 HA LEU A 94 4.342 -6.582 -2.692 1.00 31.21 H new ATOM 0 HB2 LEU A 94 4.537 -5.008 -4.629 1.00 63.32 H new ATOM 0 HB3 LEU A 94 5.971 -5.863 -5.164 1.00 63.32 H new ATOM 0 HG LEU A 94 4.598 -7.935 -5.436 1.00 74.30 H new ATOM 0 HD11 LEU A 94 2.134 -7.736 -5.469 1.00 5.33 H new ATOM 0 HD12 LEU A 94 2.805 -7.427 -3.850 1.00 5.33 H new ATOM 0 HD13 LEU A 94 2.268 -6.068 -4.865 1.00 5.33 H new ATOM 0 HD21 LEU A 94 3.440 -7.204 -7.491 1.00 24.11 H new ATOM 0 HD22 LEU A 94 3.641 -5.508 -6.992 1.00 24.11 H new ATOM 0 HD23 LEU A 94 5.070 -6.502 -7.360 1.00 24.11 H new ATOM 1430 N ALA A 95 7.370 -7.707 -3.401 1.00 52.23 N ATOM 1431 CA ALA A 95 8.221 -8.902 -3.355 1.00 54.12 C ATOM 1432 C ALA A 95 8.007 -9.715 -2.066 1.00 72.42 C ATOM 1433 O ALA A 95 7.989 -10.947 -2.105 1.00 42.14 O ATOM 1434 CB ALA A 95 9.686 -8.507 -3.488 1.00 62.04 C ATOM 0 H ALA A 95 7.874 -6.842 -3.595 1.00 52.23 H new ATOM 0 HA ALA A 95 7.938 -9.538 -4.194 1.00 54.12 H new ATOM 0 HB1 ALA A 95 10.309 -9.401 -3.453 1.00 62.04 H new ATOM 0 HB2 ALA A 95 9.840 -7.995 -4.438 1.00 62.04 H new ATOM 0 HB3 ALA A 95 9.959 -7.842 -2.669 1.00 62.04 H new ATOM 1440 N ALA A 96 7.843 -9.026 -0.934 1.00 2.43 N ATOM 1441 CA ALA A 96 7.557 -9.691 0.343 1.00 33.34 C ATOM 1442 C ALA A 96 6.171 -10.343 0.327 1.00 53.51 C ATOM 1443 O ALA A 96 6.023 -11.523 0.653 1.00 53.52 O ATOM 1444 CB ALA A 96 7.656 -8.703 1.498 1.00 15.33 C ATOM 0 H ALA A 96 7.903 -8.010 -0.874 1.00 2.43 H new ATOM 0 HA ALA A 96 8.303 -10.473 0.484 1.00 33.34 H new ATOM 0 HB1 ALA A 96 7.440 -9.216 2.435 1.00 15.33 H new ATOM 0 HB2 ALA A 96 8.663 -8.287 1.535 1.00 15.33 H new ATOM 0 HB3 ALA A 96 6.936 -7.898 1.351 1.00 15.33 H new ATOM 1450 N TRP A 97 5.161 -9.563 -0.061 1.00 54.50 N ATOM 1451 CA TRP A 97 3.790 -10.070 -0.213 1.00 53.21 C ATOM 1452 C TRP A 97 3.765 -11.346 -1.073 1.00 23.14 C ATOM 1453 O TRP A 97 3.057 -12.307 -0.778 1.00 74.03 O ATOM 1454 CB TRP A 97 2.915 -8.993 -0.866 1.00 35.01 C ATOM 1455 CG TRP A 97 1.478 -9.397 -1.023 1.00 31.03 C ATOM 1456 CD1 TRP A 97 0.902 -10.016 -2.099 1.00 24.22 C ATOM 1457 CD2 TRP A 97 0.434 -9.206 -0.068 1.00 12.30 C ATOM 1458 NE1 TRP A 97 -0.436 -10.216 -1.865 1.00 13.02 N ATOM 1459 CE2 TRP A 97 -0.746 -9.726 -0.627 1.00 42.20 C ATOM 1460 CE3 TRP A 97 0.385 -8.640 1.205 1.00 15.05 C ATOM 1461 CZ2 TRP A 97 -1.960 -9.701 0.046 1.00 3.21 C ATOM 1462 CZ3 TRP A 97 -0.823 -8.612 1.871 1.00 52.40 C ATOM 1463 CH2 TRP A 97 -1.980 -9.138 1.290 1.00 24.42 C ATOM 0 H TRP A 97 5.265 -8.572 -0.278 1.00 54.50 H new ATOM 0 HA TRP A 97 3.402 -10.315 0.776 1.00 53.21 H new ATOM 0 HB2 TRP A 97 2.964 -8.084 -0.266 1.00 35.01 H new ATOM 0 HB3 TRP A 97 3.324 -8.750 -1.847 1.00 35.01 H new ATOM 0 HD1 TRP A 97 1.423 -10.305 -3.000 1.00 24.22 H new ATOM 0 HE1 TRP A 97 -1.092 -10.658 -2.509 1.00 13.02 H new ATOM 0 HE3 TRP A 97 1.275 -8.232 1.661 1.00 15.05 H new ATOM 0 HZ2 TRP A 97 -2.855 -10.111 -0.398 1.00 3.21 H new ATOM 0 HZ3 TRP A 97 -0.875 -8.176 2.858 1.00 52.40 H new ATOM 0 HH2 TRP A 97 -2.910 -9.098 1.837 1.00 24.42 H new ATOM 1474 N LYS A 98 4.555 -11.335 -2.137 1.00 34.45 N ATOM 1475 CA LYS A 98 4.642 -12.465 -3.063 1.00 2.31 C ATOM 1476 C LYS A 98 5.506 -13.613 -2.505 1.00 2.33 C ATOM 1477 O LYS A 98 5.195 -14.787 -2.708 1.00 50.40 O ATOM 1478 CB LYS A 98 5.193 -11.968 -4.406 1.00 23.15 C ATOM 1479 CG LYS A 98 4.218 -11.057 -5.148 1.00 41.32 C ATOM 1480 CD LYS A 98 4.851 -10.364 -6.355 1.00 55.43 C ATOM 1481 CE LYS A 98 5.618 -11.335 -7.245 1.00 22.35 C ATOM 1482 NZ LYS A 98 5.804 -10.800 -8.622 1.00 33.04 N ATOM 0 H LYS A 98 5.153 -10.547 -2.386 1.00 34.45 H new ATOM 0 HA LYS A 98 3.641 -12.874 -3.202 1.00 2.31 H new ATOM 0 HB2 LYS A 98 6.125 -11.430 -4.234 1.00 23.15 H new ATOM 0 HB3 LYS A 98 5.431 -12.826 -5.035 1.00 23.15 H new ATOM 0 HG2 LYS A 98 3.362 -11.644 -5.480 1.00 41.32 H new ATOM 0 HG3 LYS A 98 3.839 -10.302 -4.460 1.00 41.32 H new ATOM 0 HD2 LYS A 98 4.072 -9.876 -6.941 1.00 55.43 H new ATOM 0 HD3 LYS A 98 5.526 -9.582 -6.009 1.00 55.43 H new ATOM 0 HE2 LYS A 98 6.592 -11.542 -6.801 1.00 22.35 H new ATOM 0 HE3 LYS A 98 5.082 -12.283 -7.293 1.00 22.35 H new ATOM 0 HZ1 LYS A 98 5.543 -11.529 -9.316 1.00 33.04 H new ATOM 0 HZ2 LYS A 98 5.200 -9.964 -8.754 1.00 33.04 H new ATOM 0 HZ3 LYS A 98 6.800 -10.533 -8.759 1.00 33.04 H new ATOM 1496 N ALA A 99 6.583 -13.270 -1.801 1.00 33.12 N ATOM 1497 CA ALA A 99 7.471 -14.274 -1.198 1.00 71.11 C ATOM 1498 C ALA A 99 6.736 -15.110 -0.137 1.00 61.24 C ATOM 1499 O ALA A 99 6.909 -16.326 -0.053 1.00 51.04 O ATOM 1500 CB ALA A 99 8.693 -13.597 -0.588 1.00 63.31 C ATOM 0 H ALA A 99 6.866 -12.305 -1.631 1.00 33.12 H new ATOM 0 HA ALA A 99 7.797 -14.952 -1.987 1.00 71.11 H new ATOM 0 HB1 ALA A 99 9.343 -14.351 -0.144 1.00 63.31 H new ATOM 0 HB2 ALA A 99 9.237 -13.060 -1.365 1.00 63.31 H new ATOM 0 HB3 ALA A 99 8.373 -12.895 0.182 1.00 63.31 H new ATOM 1506 N ILE A 100 5.898 -14.448 0.659 1.00 53.54 N ATOM 1507 CA ILE A 100 5.087 -15.131 1.678 1.00 44.42 C ATOM 1508 C ILE A 100 3.887 -15.866 1.044 1.00 4.14 C ATOM 1509 O ILE A 100 3.068 -16.465 1.744 1.00 42.31 O ATOM 1510 CB ILE A 100 4.566 -14.126 2.739 1.00 42.14 C ATOM 1511 CG1 ILE A 100 3.567 -13.150 2.094 1.00 51.32 C ATOM 1512 CG2 ILE A 100 5.733 -13.369 3.378 1.00 54.14 C ATOM 1513 CD1 ILE A 100 2.980 -12.143 3.053 1.00 22.31 C ATOM 0 H ILE A 100 5.759 -13.438 0.622 1.00 53.54 H new ATOM 0 HA ILE A 100 5.734 -15.863 2.161 1.00 44.42 H new ATOM 0 HB ILE A 100 4.051 -14.678 3.525 1.00 42.14 H new ATOM 0 HG12 ILE A 100 4.067 -12.617 1.286 1.00 51.32 H new ATOM 0 HG13 ILE A 100 2.756 -13.722 1.644 1.00 51.32 H new ATOM 0 HG21 ILE A 100 5.350 -12.668 4.120 1.00 54.14 H new ATOM 0 HG22 ILE A 100 6.405 -14.078 3.862 1.00 54.14 H new ATOM 0 HG23 ILE A 100 6.276 -12.821 2.608 1.00 54.14 H new ATOM 0 HD11 ILE A 100 2.287 -11.493 2.519 1.00 22.31 H new ATOM 0 HD12 ILE A 100 2.449 -12.665 3.849 1.00 22.31 H new ATOM 0 HD13 ILE A 100 3.780 -11.542 3.485 1.00 22.31 H new ATOM 1525 N GLY A 101 3.785 -15.806 -0.284 1.00 23.11 N ATOM 1526 CA GLY A 101 2.717 -16.497 -0.999 1.00 44.23 C ATOM 1527 C GLY A 101 1.365 -15.796 -0.905 1.00 35.14 C ATOM 1528 O GLY A 101 0.341 -16.442 -0.683 1.00 50.51 O ATOM 0 H GLY A 101 4.428 -15.287 -0.883 1.00 23.11 H new ATOM 0 HA2 GLY A 101 2.996 -16.591 -2.049 1.00 44.23 H new ATOM 0 HA3 GLY A 101 2.621 -17.508 -0.603 1.00 44.23 H new ATOM 1532 N GLY A 102 1.362 -14.470 -1.040 1.00 72.51 N ATOM 1533 CA GLY A 102 0.111 -13.715 -1.065 1.00 25.44 C ATOM 1534 C GLY A 102 -0.487 -13.588 -2.468 1.00 13.45 C ATOM 1535 O GLY A 102 0.240 -13.646 -3.462 1.00 43.12 O ATOM 0 H GLY A 102 2.204 -13.901 -1.133 1.00 72.51 H new ATOM 0 HA2 GLY A 102 -0.613 -14.201 -0.411 1.00 25.44 H new ATOM 0 HA3 GLY A 102 0.287 -12.718 -0.660 1.00 25.44 H new ATOM 1539 N PRO A 103 -1.821 -13.412 -2.583 1.00 70.13 N ATOM 1540 CA PRO A 103 -2.496 -13.278 -3.889 1.00 25.12 C ATOM 1541 C PRO A 103 -2.212 -11.926 -4.574 1.00 20.10 C ATOM 1542 O PRO A 103 -2.299 -10.866 -3.946 1.00 1.03 O ATOM 1543 CB PRO A 103 -3.982 -13.404 -3.526 1.00 14.11 C ATOM 1544 CG PRO A 103 -4.068 -12.922 -2.116 1.00 2.25 C ATOM 1545 CD PRO A 103 -2.775 -13.333 -1.456 1.00 23.10 C ATOM 0 HA PRO A 103 -2.150 -14.023 -4.606 1.00 25.12 H new ATOM 0 HB2 PRO A 103 -4.604 -12.803 -4.189 1.00 14.11 H new ATOM 0 HB3 PRO A 103 -4.325 -14.435 -3.614 1.00 14.11 H new ATOM 0 HG2 PRO A 103 -4.197 -11.840 -2.081 1.00 2.25 H new ATOM 0 HG3 PRO A 103 -4.924 -13.362 -1.605 1.00 2.25 H new ATOM 0 HD2 PRO A 103 -2.456 -12.605 -0.711 1.00 23.10 H new ATOM 0 HD3 PRO A 103 -2.872 -14.291 -0.945 1.00 23.10 H new ATOM 1553 N THR A 104 -1.872 -11.966 -5.862 1.00 54.22 N ATOM 1554 CA THR A 104 -1.542 -10.747 -6.618 1.00 72.40 C ATOM 1555 C THR A 104 -2.275 -10.671 -7.963 1.00 10.04 C ATOM 1556 O THR A 104 -2.765 -11.675 -8.488 1.00 25.20 O ATOM 1557 CB THR A 104 -0.020 -10.632 -6.899 1.00 0.21 C ATOM 1558 OG1 THR A 104 0.439 -11.752 -7.677 1.00 65.52 O ATOM 1559 CG2 THR A 104 0.773 -10.551 -5.600 1.00 53.44 C ATOM 0 H THR A 104 -1.816 -12.826 -6.408 1.00 54.22 H new ATOM 0 HA THR A 104 -1.867 -9.924 -5.982 1.00 72.40 H new ATOM 0 HB THR A 104 0.142 -9.714 -7.465 1.00 0.21 H new ATOM 0 HG1 THR A 104 1.229 -11.489 -8.194 1.00 65.52 H new ATOM 0 HG21 THR A 104 1.836 -10.471 -5.827 1.00 53.44 H new ATOM 0 HG22 THR A 104 0.456 -9.675 -5.034 1.00 53.44 H new ATOM 0 HG23 THR A 104 0.595 -11.449 -5.008 1.00 53.44 H new ATOM 1567 N GLU A 105 -2.351 -9.457 -8.501 1.00 23.31 N ATOM 1568 CA GLU A 105 -2.885 -9.204 -9.846 1.00 41.13 C ATOM 1569 C GLU A 105 -1.880 -8.389 -10.668 1.00 73.13 C ATOM 1570 O GLU A 105 -0.904 -7.865 -10.133 1.00 40.05 O ATOM 1571 CB GLU A 105 -4.218 -8.438 -9.769 1.00 3.51 C ATOM 1572 CG GLU A 105 -5.348 -9.223 -9.121 1.00 10.33 C ATOM 1573 CD GLU A 105 -6.605 -8.386 -8.900 1.00 33.40 C ATOM 1574 OE1 GLU A 105 -6.645 -7.601 -7.924 1.00 23.45 O ATOM 1575 OE2 GLU A 105 -7.557 -8.509 -9.695 1.00 60.31 O ATOM 0 H GLU A 105 -2.043 -8.613 -8.018 1.00 23.31 H new ATOM 0 HA GLU A 105 -3.057 -10.166 -10.328 1.00 41.13 H new ATOM 0 HB2 GLU A 105 -4.063 -7.516 -9.209 1.00 3.51 H new ATOM 0 HB3 GLU A 105 -4.520 -8.152 -10.777 1.00 3.51 H new ATOM 0 HG2 GLU A 105 -5.594 -10.080 -9.748 1.00 10.33 H new ATOM 0 HG3 GLU A 105 -5.007 -9.617 -8.163 1.00 10.33 H new ATOM 1582 N GLY A 106 -2.127 -8.266 -11.961 1.00 62.44 N ATOM 1583 CA GLY A 106 -1.239 -7.467 -12.806 1.00 0.12 C ATOM 1584 C GLY A 106 -1.022 -8.039 -14.200 1.00 2.43 C ATOM 1585 O GLY A 106 -1.601 -9.061 -14.567 1.00 73.00 O ATOM 0 H GLY A 106 -2.915 -8.696 -12.446 1.00 62.44 H new ATOM 0 HA2 GLY A 106 -1.651 -6.462 -12.898 1.00 0.12 H new ATOM 0 HA3 GLY A 106 -0.273 -7.372 -12.310 1.00 0.12 H new ATOM 1589 N ILE A 107 -0.181 -7.363 -14.976 1.00 71.23 N ATOM 1590 CA ILE A 107 0.131 -7.771 -16.346 1.00 64.11 C ATOM 1591 C ILE A 107 1.437 -8.577 -16.394 1.00 0.33 C ATOM 1592 O ILE A 107 1.477 -9.691 -16.919 1.00 13.24 O ATOM 1593 CB ILE A 107 0.256 -6.535 -17.272 1.00 55.44 C ATOM 1594 CG1 ILE A 107 -1.023 -5.676 -17.194 1.00 73.02 C ATOM 1595 CG2 ILE A 107 0.546 -6.965 -18.711 1.00 3.51 C ATOM 1596 CD1 ILE A 107 -1.040 -4.505 -18.158 1.00 52.03 C ATOM 0 H ILE A 107 0.304 -6.518 -14.676 1.00 71.23 H new ATOM 0 HA ILE A 107 -0.687 -8.400 -16.696 1.00 64.11 H new ATOM 0 HB ILE A 107 1.094 -5.927 -16.931 1.00 55.44 H new ATOM 0 HG12 ILE A 107 -1.887 -6.310 -17.394 1.00 73.02 H new ATOM 0 HG13 ILE A 107 -1.133 -5.298 -16.178 1.00 73.02 H new ATOM 0 HG21 ILE A 107 0.630 -6.082 -19.345 1.00 3.51 H new ATOM 0 HG22 ILE A 107 1.481 -7.524 -18.742 1.00 3.51 H new ATOM 0 HG23 ILE A 107 -0.266 -7.595 -19.073 1.00 3.51 H new ATOM 0 HD11 ILE A 107 -1.972 -3.951 -18.041 1.00 52.03 H new ATOM 0 HD12 ILE A 107 -0.198 -3.847 -17.946 1.00 52.03 H new ATOM 0 HD13 ILE A 107 -0.963 -4.874 -19.181 1.00 52.03 H new ATOM 1608 N ILE A 108 2.506 -8.013 -15.833 1.00 5.24 N ATOM 1609 CA ILE A 108 3.805 -8.700 -15.802 1.00 1.22 C ATOM 1610 C ILE A 108 3.748 -9.982 -14.958 1.00 22.15 C ATOM 1611 O ILE A 108 4.451 -10.959 -15.233 1.00 72.15 O ATOM 1612 CB ILE A 108 4.940 -7.764 -15.295 1.00 42.40 C ATOM 1613 CG1 ILE A 108 5.488 -6.886 -16.441 1.00 53.22 C ATOM 1614 CG2 ILE A 108 6.064 -8.572 -14.657 1.00 60.50 C ATOM 1615 CD1 ILE A 108 4.441 -6.039 -17.134 1.00 1.11 C ATOM 0 H ILE A 108 2.504 -7.091 -15.397 1.00 5.24 H new ATOM 0 HA ILE A 108 4.035 -8.982 -16.829 1.00 1.22 H new ATOM 0 HB ILE A 108 4.516 -7.106 -14.536 1.00 42.40 H new ATOM 0 HG12 ILE A 108 6.262 -6.231 -16.042 1.00 53.22 H new ATOM 0 HG13 ILE A 108 5.965 -7.530 -17.180 1.00 53.22 H new ATOM 0 HG21 ILE A 108 6.846 -7.897 -14.310 1.00 60.50 H new ATOM 0 HG22 ILE A 108 5.671 -9.137 -13.812 1.00 60.50 H new ATOM 0 HG23 ILE A 108 6.480 -9.261 -15.392 1.00 60.50 H new ATOM 0 HD11 ILE A 108 4.911 -5.454 -17.925 1.00 1.11 H new ATOM 0 HD12 ILE A 108 3.677 -6.686 -17.566 1.00 1.11 H new ATOM 0 HD13 ILE A 108 3.980 -5.366 -16.411 1.00 1.11 H new ATOM 1627 N GLU A 109 2.881 -9.980 -13.961 1.00 51.32 N ATOM 1628 CA GLU A 109 2.654 -11.166 -13.116 1.00 51.41 C ATOM 1629 C GLU A 109 2.222 -12.383 -13.965 1.00 24.33 C ATOM 1630 O GLU A 109 2.264 -13.527 -13.511 1.00 2.22 O ATOM 1631 CB GLU A 109 1.576 -10.865 -12.060 1.00 40.30 C ATOM 1632 CG GLU A 109 1.901 -9.692 -11.135 1.00 45.22 C ATOM 1633 CD GLU A 109 3.109 -9.941 -10.245 1.00 52.32 C ATOM 1634 OE1 GLU A 109 2.971 -10.644 -9.224 1.00 53.20 O ATOM 1635 OE2 GLU A 109 4.207 -9.425 -10.553 1.00 5.40 O ATOM 0 H GLU A 109 2.314 -9.171 -13.706 1.00 51.32 H new ATOM 0 HA GLU A 109 3.594 -11.408 -12.620 1.00 51.41 H new ATOM 0 HB2 GLU A 109 0.635 -10.659 -12.569 1.00 40.30 H new ATOM 0 HB3 GLU A 109 1.421 -11.757 -11.453 1.00 40.30 H new ATOM 0 HG2 GLU A 109 2.081 -8.802 -11.738 1.00 45.22 H new ATOM 0 HG3 GLU A 109 1.034 -9.482 -10.508 1.00 45.22 H new ATOM 1642 N SER A 110 1.807 -12.113 -15.206 1.00 15.14 N ATOM 1643 CA SER A 110 1.339 -13.152 -16.138 1.00 4.31 C ATOM 1644 C SER A 110 2.365 -13.463 -17.244 1.00 21.45 C ATOM 1645 O SER A 110 2.089 -14.261 -18.140 1.00 11.23 O ATOM 1646 CB SER A 110 0.026 -12.698 -16.786 1.00 0.10 C ATOM 1647 OG SER A 110 -1.029 -12.633 -15.835 1.00 73.40 O ATOM 0 H SER A 110 1.785 -11.171 -15.596 1.00 15.14 H new ATOM 0 HA SER A 110 1.194 -14.064 -15.559 1.00 4.31 H new ATOM 0 HB2 SER A 110 0.165 -11.719 -17.245 1.00 0.10 H new ATOM 0 HB3 SER A 110 -0.245 -13.389 -17.585 1.00 0.10 H new ATOM 0 HG SER A 110 -1.852 -12.339 -16.279 1.00 73.40 H new ATOM 1653 N ARG A 111 3.541 -12.834 -17.190 1.00 12.15 N ATOM 1654 CA ARG A 111 4.556 -12.995 -18.245 1.00 54.23 C ATOM 1655 C ARG A 111 5.613 -14.051 -17.885 1.00 43.35 C ATOM 1656 O ARG A 111 6.221 -14.002 -16.816 1.00 50.21 O ATOM 1657 CB ARG A 111 5.249 -11.659 -18.535 1.00 34.54 C ATOM 1658 CG ARG A 111 4.304 -10.572 -19.038 1.00 52.44 C ATOM 1659 CD ARG A 111 5.053 -9.288 -19.376 1.00 10.12 C ATOM 1660 NE ARG A 111 5.952 -9.463 -20.517 1.00 21.54 N ATOM 1661 CZ ARG A 111 7.251 -9.325 -20.466 1.00 11.51 C ATOM 1662 NH1 ARG A 111 7.844 -9.033 -19.354 1.00 14.05 N ATOM 1663 NH2 ARG A 111 7.956 -9.483 -21.534 1.00 4.12 N ATOM 0 H ARG A 111 3.818 -12.210 -16.432 1.00 12.15 H new ATOM 0 HA ARG A 111 4.029 -13.339 -19.135 1.00 54.23 H new ATOM 0 HB2 ARG A 111 5.739 -11.310 -17.626 1.00 34.54 H new ATOM 0 HB3 ARG A 111 6.031 -11.819 -19.277 1.00 34.54 H new ATOM 0 HG2 ARG A 111 3.776 -10.929 -19.922 1.00 52.44 H new ATOM 0 HG3 ARG A 111 3.550 -10.365 -18.278 1.00 52.44 H new ATOM 0 HD2 ARG A 111 4.336 -8.497 -19.597 1.00 10.12 H new ATOM 0 HD3 ARG A 111 5.627 -8.964 -18.508 1.00 10.12 H new ATOM 0 HE ARG A 111 5.536 -9.710 -21.415 1.00 21.54 H new ATOM 0 HH11 ARG A 111 7.297 -8.907 -18.502 1.00 14.05 H new ATOM 0 HH12 ARG A 111 8.858 -8.928 -19.329 1.00 14.05 H new ATOM 0 HH21 ARG A 111 7.500 -9.715 -22.416 1.00 4.12 H new ATOM 0 HH22 ARG A 111 8.970 -9.376 -21.496 1.00 4.12 H new ATOM 1677 N THR A 112 5.843 -14.988 -18.804 1.00 4.21 N ATOM 1678 CA THR A 112 6.813 -16.077 -18.584 1.00 22.12 C ATOM 1679 C THR A 112 8.164 -15.792 -19.262 1.00 53.14 C ATOM 1680 O THR A 112 8.228 -15.606 -20.479 1.00 23.45 O ATOM 1681 CB THR A 112 6.288 -17.438 -19.112 1.00 63.35 C ATOM 1682 OG1 THR A 112 6.091 -17.393 -20.538 1.00 34.43 O ATOM 1683 CG2 THR A 112 4.978 -17.821 -18.434 1.00 51.21 C ATOM 0 H THR A 112 5.375 -15.021 -19.710 1.00 4.21 H new ATOM 0 HA THR A 112 6.950 -16.131 -17.504 1.00 22.12 H new ATOM 0 HB THR A 112 7.041 -18.190 -18.877 1.00 63.35 H new ATOM 0 HG1 THR A 112 6.655 -16.691 -20.924 1.00 34.43 H new ATOM 0 HG21 THR A 112 4.633 -18.779 -18.823 1.00 51.21 H new ATOM 0 HG22 THR A 112 5.135 -17.902 -17.358 1.00 51.21 H new ATOM 0 HG23 THR A 112 4.227 -17.057 -18.635 1.00 51.21 H new ATOM 1691 N PRO A 113 9.267 -15.748 -18.488 1.00 12.33 N ATOM 1692 CA PRO A 113 10.619 -15.590 -19.034 1.00 61.11 C ATOM 1693 C PRO A 113 11.247 -16.942 -19.431 1.00 63.11 C ATOM 1694 O PRO A 113 11.612 -17.744 -18.570 1.00 62.43 O ATOM 1695 CB PRO A 113 11.401 -14.942 -17.866 1.00 23.00 C ATOM 1696 CG PRO A 113 10.458 -14.910 -16.690 1.00 20.33 C ATOM 1697 CD PRO A 113 9.304 -15.820 -17.025 1.00 32.04 C ATOM 0 HA PRO A 113 10.629 -14.996 -19.948 1.00 61.11 H new ATOM 0 HB2 PRO A 113 12.296 -15.518 -17.631 1.00 23.00 H new ATOM 0 HB3 PRO A 113 11.729 -13.936 -18.129 1.00 23.00 H new ATOM 0 HG2 PRO A 113 10.962 -15.244 -15.783 1.00 20.33 H new ATOM 0 HG3 PRO A 113 10.107 -13.895 -16.505 1.00 20.33 H new ATOM 0 HD2 PRO A 113 9.472 -16.837 -16.672 1.00 32.04 H new ATOM 0 HD3 PRO A 113 8.372 -15.477 -16.577 1.00 32.04 H new ATOM 1705 N ALA A 114 11.355 -17.204 -20.735 1.00 55.23 N ATOM 1706 CA ALA A 114 11.928 -18.469 -21.224 1.00 14.12 C ATOM 1707 C ALA A 114 12.952 -18.246 -22.351 1.00 3.33 C ATOM 1708 O ALA A 114 12.805 -17.341 -23.173 1.00 24.32 O ATOM 1709 CB ALA A 114 10.814 -19.397 -21.699 1.00 54.42 C ATOM 0 H ALA A 114 11.056 -16.564 -21.471 1.00 55.23 H new ATOM 0 HA ALA A 114 12.459 -18.932 -20.392 1.00 14.12 H new ATOM 0 HB1 ALA A 114 11.247 -20.330 -22.059 1.00 54.42 H new ATOM 0 HB2 ALA A 114 10.137 -19.607 -20.871 1.00 54.42 H new ATOM 0 HB3 ALA A 114 10.261 -18.918 -22.507 1.00 54.42 H new ATOM 1715 N GLY A 115 13.995 -19.080 -22.384 1.00 41.14 N ATOM 1716 CA GLY A 115 15.006 -18.984 -23.430 1.00 71.03 C ATOM 1717 C GLY A 115 14.903 -20.106 -24.459 1.00 4.44 C ATOM 1718 O GLY A 115 13.851 -20.738 -24.598 1.00 24.42 O ATOM 0 H GLY A 115 14.157 -19.822 -21.703 1.00 41.14 H new ATOM 0 HA2 GLY A 115 14.908 -18.024 -23.936 1.00 71.03 H new ATOM 0 HA3 GLY A 115 15.996 -19.005 -22.975 1.00 71.03 H new ATOM 1722 N ALA A 116 15.999 -20.366 -25.162 1.00 12.45 N ATOM 1723 CA ALA A 116 16.033 -21.388 -26.222 1.00 15.35 C ATOM 1724 C ALA A 116 17.479 -21.723 -26.641 1.00 2.32 C ATOM 1725 O ALA A 116 18.419 -21.527 -25.867 1.00 12.03 O ATOM 1726 CB ALA A 116 15.227 -20.907 -27.428 1.00 41.24 C ATOM 0 H ALA A 116 16.887 -19.883 -25.022 1.00 12.45 H new ATOM 0 HA ALA A 116 15.586 -22.301 -25.828 1.00 15.35 H new ATOM 0 HB1 ALA A 116 15.255 -21.666 -28.210 1.00 41.24 H new ATOM 0 HB2 ALA A 116 14.194 -20.732 -27.129 1.00 41.24 H new ATOM 0 HB3 ALA A 116 15.657 -19.980 -27.807 1.00 41.24 H new ATOM 1732 N ASP A 117 17.644 -22.240 -27.864 1.00 65.35 N ATOM 1733 CA ASP A 117 18.966 -22.592 -28.408 1.00 23.24 C ATOM 1734 C ASP A 117 19.955 -21.413 -28.362 1.00 74.34 C ATOM 1735 O ASP A 117 19.564 -20.248 -28.259 1.00 54.43 O ATOM 1736 CB ASP A 117 18.825 -23.079 -29.857 1.00 53.42 C ATOM 1737 CG ASP A 117 18.025 -24.362 -29.966 1.00 63.35 C ATOM 1738 OD1 ASP A 117 16.801 -24.326 -29.717 1.00 44.32 O ATOM 1739 OD2 ASP A 117 18.617 -25.416 -30.290 1.00 53.41 O ATOM 0 H ASP A 117 16.871 -22.426 -28.503 1.00 65.35 H new ATOM 0 HA ASP A 117 19.367 -23.386 -27.779 1.00 23.24 H new ATOM 0 HB2 ASP A 117 18.343 -22.303 -30.452 1.00 53.42 H new ATOM 0 HB3 ASP A 117 19.817 -23.236 -30.282 1.00 53.42 H new ATOM 1744 N ASP A 118 21.243 -21.730 -28.439 1.00 63.44 N ATOM 1745 CA ASP A 118 22.297 -20.710 -28.454 1.00 32.34 C ATOM 1746 C ASP A 118 22.792 -20.434 -29.885 1.00 62.43 C ATOM 1747 O ASP A 118 22.075 -20.676 -30.857 1.00 1.15 O ATOM 1748 CB ASP A 118 23.456 -21.162 -27.563 1.00 23.51 C ATOM 1749 CG ASP A 118 23.044 -21.262 -26.104 1.00 33.34 C ATOM 1750 OD1 ASP A 118 23.007 -20.219 -25.419 1.00 75.41 O ATOM 1751 OD2 ASP A 118 22.747 -22.379 -25.634 1.00 20.11 O ATOM 0 H ASP A 118 21.588 -22.688 -28.492 1.00 63.44 H new ATOM 0 HA ASP A 118 21.883 -19.779 -28.067 1.00 32.34 H new ATOM 0 HB2 ASP A 118 23.820 -22.131 -27.905 1.00 23.51 H new ATOM 0 HB3 ASP A 118 24.283 -20.459 -27.659 1.00 23.51 H new ATOM 1756 N TYR A 119 24.011 -19.905 -30.008 1.00 43.53 N ATOM 1757 CA TYR A 119 24.616 -19.626 -31.320 1.00 0.41 C ATOM 1758 C TYR A 119 24.658 -20.877 -32.220 1.00 45.35 C ATOM 1759 O TYR A 119 24.422 -20.792 -33.427 1.00 43.10 O ATOM 1760 CB TYR A 119 26.038 -19.057 -31.139 1.00 41.43 C ATOM 1761 CG TYR A 119 26.997 -19.994 -30.415 1.00 42.30 C ATOM 1762 CD1 TYR A 119 27.002 -20.082 -29.027 1.00 0.11 C ATOM 1763 CD2 TYR A 119 27.890 -20.797 -31.120 1.00 72.10 C ATOM 1764 CE1 TYR A 119 27.863 -20.935 -28.365 1.00 55.45 C ATOM 1765 CE2 TYR A 119 28.752 -21.655 -30.464 1.00 5.33 C ATOM 1766 CZ TYR A 119 28.733 -21.720 -29.087 1.00 44.24 C ATOM 1767 OH TYR A 119 29.586 -22.581 -28.430 1.00 63.01 O ATOM 0 H TYR A 119 24.603 -19.659 -29.215 1.00 43.53 H new ATOM 0 HA TYR A 119 23.987 -18.887 -31.817 1.00 0.41 H new ATOM 0 HB2 TYR A 119 26.450 -18.820 -32.120 1.00 41.43 H new ATOM 0 HB3 TYR A 119 25.975 -18.120 -30.585 1.00 41.43 H new ATOM 0 HD1 TYR A 119 26.319 -19.471 -28.455 1.00 0.11 H new ATOM 0 HD2 TYR A 119 27.909 -20.748 -32.199 1.00 72.10 H new ATOM 0 HE1 TYR A 119 27.854 -20.986 -27.286 1.00 55.45 H new ATOM 0 HE2 TYR A 119 29.437 -22.271 -31.027 1.00 5.33 H new ATOM 0 HH TYR A 119 30.133 -23.063 -29.085 1.00 63.01 H new ATOM 1777 N ASN A 120 24.931 -22.033 -31.613 1.00 54.13 N ATOM 1778 CA ASN A 120 25.127 -23.297 -32.342 1.00 25.12 C ATOM 1779 C ASN A 120 26.306 -23.207 -33.329 1.00 53.41 C ATOM 1780 O ASN A 120 27.410 -23.669 -33.035 1.00 52.31 O ATOM 1781 CB ASN A 120 23.839 -23.735 -33.064 1.00 10.22 C ATOM 1782 CG ASN A 120 22.706 -24.037 -32.093 1.00 32.42 C ATOM 1783 OD1 ASN A 120 22.572 -25.150 -31.595 1.00 72.32 O ATOM 1784 ND2 ASN A 120 21.872 -23.057 -31.821 1.00 20.40 N ATOM 0 H ASN A 120 25.023 -22.124 -30.601 1.00 54.13 H new ATOM 0 HA ASN A 120 25.373 -24.059 -31.602 1.00 25.12 H new ATOM 0 HB2 ASN A 120 23.526 -22.949 -33.751 1.00 10.22 H new ATOM 0 HB3 ASN A 120 24.045 -24.621 -33.665 1.00 10.22 H new ATOM 0 HD21 ASN A 120 21.092 -23.214 -31.183 1.00 20.40 H new ATOM 0 HD22 ASN A 120 22.005 -22.140 -32.248 1.00 20.40 H new ATOM 1791 N VAL A 121 26.054 -22.591 -34.480 1.00 41.42 N ATOM 1792 CA VAL A 121 27.063 -22.398 -35.535 1.00 11.21 C ATOM 1793 C VAL A 121 27.714 -23.722 -35.974 1.00 71.10 C ATOM 1794 O VAL A 121 28.577 -24.274 -35.286 1.00 15.25 O ATOM 1795 CB VAL A 121 28.165 -21.405 -35.099 1.00 12.01 C ATOM 1796 CG1 VAL A 121 29.149 -21.134 -36.241 1.00 35.15 C ATOM 1797 CG2 VAL A 121 27.551 -20.100 -34.588 1.00 35.13 C ATOM 0 H VAL A 121 25.139 -22.206 -34.716 1.00 41.42 H new ATOM 0 HA VAL A 121 26.525 -21.981 -36.387 1.00 11.21 H new ATOM 0 HB VAL A 121 28.721 -21.862 -34.281 1.00 12.01 H new ATOM 0 HG11 VAL A 121 29.912 -20.432 -35.905 1.00 35.15 H new ATOM 0 HG12 VAL A 121 29.623 -22.068 -36.543 1.00 35.15 H new ATOM 0 HG13 VAL A 121 28.613 -20.708 -37.089 1.00 35.15 H new ATOM 0 HG21 VAL A 121 28.346 -19.417 -34.287 1.00 35.13 H new ATOM 0 HG22 VAL A 121 26.959 -19.641 -35.380 1.00 35.13 H new ATOM 0 HG23 VAL A 121 26.910 -20.310 -33.732 1.00 35.13 H new ATOM 1807 N VAL A 122 27.302 -24.212 -37.137 1.00 42.25 N ATOM 1808 CA VAL A 122 27.807 -25.481 -37.674 1.00 0.43 C ATOM 1809 C VAL A 122 29.330 -25.451 -37.910 1.00 25.34 C ATOM 1810 O VAL A 122 30.030 -26.416 -37.588 1.00 71.11 O ATOM 1811 CB VAL A 122 27.072 -25.875 -38.987 1.00 2.13 C ATOM 1812 CG1 VAL A 122 27.203 -24.779 -40.044 1.00 53.44 C ATOM 1813 CG2 VAL A 122 27.586 -27.209 -39.525 1.00 72.40 C ATOM 0 H VAL A 122 26.615 -23.750 -37.734 1.00 42.25 H new ATOM 0 HA VAL A 122 27.601 -26.238 -36.917 1.00 0.43 H new ATOM 0 HB VAL A 122 26.014 -25.990 -38.751 1.00 2.13 H new ATOM 0 HG11 VAL A 122 26.679 -25.083 -40.950 1.00 53.44 H new ATOM 0 HG12 VAL A 122 26.767 -23.855 -39.666 1.00 53.44 H new ATOM 0 HG13 VAL A 122 28.257 -24.617 -40.271 1.00 53.44 H new ATOM 0 HG21 VAL A 122 27.055 -27.460 -40.443 1.00 72.40 H new ATOM 0 HG22 VAL A 122 28.653 -27.131 -39.733 1.00 72.40 H new ATOM 0 HG23 VAL A 122 27.417 -27.990 -38.783 1.00 72.40 H new ATOM 1823 N SER A 123 29.830 -24.343 -38.456 1.00 12.03 N ATOM 1824 CA SER A 123 31.269 -24.186 -38.750 1.00 75.53 C ATOM 1825 C SER A 123 31.763 -25.266 -39.733 1.00 2.32 C ATOM 1826 O SER A 123 30.957 -25.937 -40.385 1.00 14.41 O ATOM 1827 CB SER A 123 32.090 -24.227 -37.445 1.00 54.32 C ATOM 1828 OG SER A 123 33.478 -24.026 -37.687 1.00 32.32 O ATOM 0 H SER A 123 29.263 -23.533 -38.708 1.00 12.03 H new ATOM 0 HA SER A 123 31.410 -23.215 -39.225 1.00 75.53 H new ATOM 0 HB2 SER A 123 31.725 -23.460 -36.762 1.00 54.32 H new ATOM 0 HB3 SER A 123 31.942 -25.188 -36.953 1.00 54.32 H new ATOM 0 HG SER A 123 33.966 -24.057 -36.838 1.00 32.32 H new ATOM 1834 N ARG A 124 33.088 -25.411 -39.856 1.00 31.04 N ATOM 1835 CA ARG A 124 33.694 -26.454 -40.703 1.00 50.12 C ATOM 1836 C ARG A 124 33.404 -26.236 -42.201 1.00 4.40 C ATOM 1837 O ARG A 124 32.796 -25.239 -42.591 1.00 1.21 O ATOM 1838 CB ARG A 124 33.198 -27.840 -40.257 1.00 21.02 C ATOM 1839 CG ARG A 124 33.692 -28.259 -38.871 1.00 2.42 C ATOM 1840 CD ARG A 124 32.818 -29.354 -38.266 1.00 2.51 C ATOM 1841 NE ARG A 124 31.506 -28.836 -37.866 1.00 60.24 N ATOM 1842 CZ ARG A 124 30.409 -29.540 -37.805 1.00 74.10 C ATOM 1843 NH1 ARG A 124 30.400 -30.789 -38.149 1.00 65.40 N ATOM 1844 NH2 ARG A 124 29.317 -28.980 -37.399 1.00 22.24 N ATOM 0 H ARG A 124 33.766 -24.818 -39.378 1.00 31.04 H new ATOM 0 HA ARG A 124 34.775 -26.393 -40.577 1.00 50.12 H new ATOM 0 HB2 ARG A 124 32.108 -27.843 -40.260 1.00 21.02 H new ATOM 0 HB3 ARG A 124 33.521 -28.583 -40.987 1.00 21.02 H new ATOM 0 HG2 ARG A 124 34.720 -28.613 -38.943 1.00 2.42 H new ATOM 0 HG3 ARG A 124 33.699 -27.392 -38.210 1.00 2.42 H new ATOM 0 HD2 ARG A 124 32.687 -30.158 -38.990 1.00 2.51 H new ATOM 0 HD3 ARG A 124 33.320 -29.784 -37.399 1.00 2.51 H new ATOM 0 HE ARG A 124 31.446 -27.849 -37.616 1.00 60.24 H new ATOM 0 HH11 ARG A 124 31.258 -31.235 -38.473 1.00 65.40 H new ATOM 0 HH12 ARG A 124 29.535 -31.326 -38.096 1.00 65.40 H new ATOM 0 HH21 ARG A 124 29.318 -27.996 -37.130 1.00 22.24 H new ATOM 0 HH22 ARG A 124 28.454 -29.522 -37.348 1.00 22.24 H new ATOM 1858 N LEU A 125 33.874 -27.173 -43.032 1.00 74.11 N ATOM 1859 CA LEU A 125 33.618 -27.150 -44.484 1.00 65.10 C ATOM 1860 C LEU A 125 34.155 -25.856 -45.143 1.00 12.14 C ATOM 1861 O LEU A 125 33.603 -25.358 -46.125 1.00 73.21 O ATOM 1862 CB LEU A 125 32.105 -27.319 -44.741 1.00 50.10 C ATOM 1863 CG LEU A 125 31.704 -27.667 -46.185 1.00 42.23 C ATOM 1864 CD1 LEU A 125 32.306 -29.002 -46.606 1.00 10.54 C ATOM 1865 CD2 LEU A 125 30.183 -27.687 -46.341 1.00 44.23 C ATOM 0 H LEU A 125 34.439 -27.965 -42.724 1.00 74.11 H new ATOM 0 HA LEU A 125 34.155 -27.980 -44.943 1.00 65.10 H new ATOM 0 HB2 LEU A 125 31.729 -28.101 -44.081 1.00 50.10 H new ATOM 0 HB3 LEU A 125 31.602 -26.394 -44.458 1.00 50.10 H new ATOM 0 HG LEU A 125 32.101 -26.891 -46.840 1.00 42.23 H new ATOM 0 HD11 LEU A 125 32.009 -29.228 -47.630 1.00 10.54 H new ATOM 0 HD12 LEU A 125 33.393 -28.946 -46.547 1.00 10.54 H new ATOM 0 HD13 LEU A 125 31.947 -29.789 -45.942 1.00 10.54 H new ATOM 0 HD21 LEU A 125 29.926 -27.935 -47.371 1.00 44.23 H new ATOM 0 HD22 LEU A 125 29.758 -28.434 -45.671 1.00 44.23 H new ATOM 0 HD23 LEU A 125 29.779 -26.706 -46.093 1.00 44.23 H new ATOM 1877 N GLU A 126 35.264 -25.344 -44.612 1.00 52.34 N ATOM 1878 CA GLU A 126 35.840 -24.070 -45.073 1.00 40.14 C ATOM 1879 C GLU A 126 36.430 -24.161 -46.495 1.00 13.43 C ATOM 1880 O GLU A 126 36.594 -23.138 -47.167 1.00 1.42 O ATOM 1881 CB GLU A 126 36.915 -23.596 -44.083 1.00 10.34 C ATOM 1882 CG GLU A 126 38.076 -24.571 -43.915 1.00 31.24 C ATOM 1883 CD GLU A 126 39.082 -24.109 -42.874 1.00 63.43 C ATOM 1884 OE1 GLU A 126 38.903 -24.430 -41.682 1.00 22.35 O ATOM 1885 OE2 GLU A 126 40.060 -23.428 -43.239 1.00 23.22 O ATOM 0 H GLU A 126 35.788 -25.790 -43.859 1.00 52.34 H new ATOM 0 HA GLU A 126 35.027 -23.345 -45.115 1.00 40.14 H new ATOM 0 HB2 GLU A 126 37.306 -22.636 -44.419 1.00 10.34 H new ATOM 0 HB3 GLU A 126 36.451 -23.429 -43.111 1.00 10.34 H new ATOM 0 HG2 GLU A 126 37.686 -25.548 -43.630 1.00 31.24 H new ATOM 0 HG3 GLU A 126 38.581 -24.697 -44.873 1.00 31.24 H new ATOM 1892 N HIS A 127 36.767 -25.379 -46.931 1.00 61.23 N ATOM 1893 CA HIS A 127 37.243 -25.638 -48.305 1.00 51.40 C ATOM 1894 C HIS A 127 38.619 -25.011 -48.616 1.00 73.12 C ATOM 1895 O HIS A 127 38.885 -23.847 -48.309 1.00 61.03 O ATOM 1896 CB HIS A 127 36.219 -25.151 -49.346 1.00 15.32 C ATOM 1897 CG HIS A 127 34.925 -25.905 -49.335 1.00 21.21 C ATOM 1898 ND1 HIS A 127 33.709 -25.317 -49.058 1.00 23.24 N ATOM 1899 CD2 HIS A 127 34.654 -27.204 -49.601 1.00 40.12 C ATOM 1900 CE1 HIS A 127 32.752 -26.214 -49.159 1.00 14.32 C ATOM 1901 NE2 HIS A 127 33.296 -27.368 -49.485 1.00 4.44 N ATOM 0 H HIS A 127 36.720 -26.215 -46.348 1.00 61.23 H new ATOM 0 HA HIS A 127 37.359 -26.720 -48.368 1.00 51.40 H new ATOM 0 HB2 HIS A 127 36.013 -24.095 -49.170 1.00 15.32 H new ATOM 0 HB3 HIS A 127 36.663 -25.228 -50.339 1.00 15.32 H new ATOM 0 HD2 HIS A 127 35.372 -27.969 -49.857 1.00 40.12 H new ATOM 0 HE1 HIS A 127 31.699 -26.034 -49.001 1.00 14.32 H new ATOM 0 HE2 HIS A 127 32.790 -28.242 -49.628 1.00 4.44 H new ATOM 1910 N HIS A 128 39.488 -25.809 -49.235 1.00 60.55 N ATOM 1911 CA HIS A 128 40.754 -25.327 -49.803 1.00 43.31 C ATOM 1912 C HIS A 128 41.028 -26.039 -51.140 1.00 50.13 C ATOM 1913 O HIS A 128 41.250 -27.248 -51.170 1.00 24.50 O ATOM 1914 CB HIS A 128 41.923 -25.564 -48.837 1.00 45.54 C ATOM 1915 CG HIS A 128 41.849 -24.770 -47.569 1.00 1.42 C ATOM 1916 ND1 HIS A 128 42.290 -23.467 -47.469 1.00 30.35 N ATOM 1917 CD2 HIS A 128 41.395 -25.103 -46.336 1.00 54.20 C ATOM 1918 CE1 HIS A 128 42.114 -23.035 -46.237 1.00 41.44 C ATOM 1919 NE2 HIS A 128 41.573 -24.005 -45.533 1.00 51.12 N ATOM 0 H HIS A 128 39.337 -26.810 -49.359 1.00 60.55 H new ATOM 0 HA HIS A 128 40.666 -24.254 -49.971 1.00 43.31 H new ATOM 0 HB2 HIS A 128 41.962 -26.624 -48.586 1.00 45.54 H new ATOM 0 HB3 HIS A 128 42.855 -25.323 -49.348 1.00 45.54 H new ATOM 0 HD2 HIS A 128 40.973 -26.053 -46.042 1.00 54.20 H new ATOM 0 HE1 HIS A 128 42.370 -22.053 -45.868 1.00 41.44 H new ATOM 0 HE2 HIS A 128 41.325 -23.950 -44.545 1.00 51.12 H new ATOM 1928 N HIS A 129 41.008 -25.285 -52.238 1.00 34.54 N ATOM 1929 CA HIS A 129 41.108 -25.866 -53.587 1.00 0.33 C ATOM 1930 C HIS A 129 42.464 -26.572 -53.830 1.00 4.53 C ATOM 1931 O HIS A 129 42.503 -27.674 -54.378 1.00 50.21 O ATOM 1932 CB HIS A 129 40.868 -24.766 -54.632 1.00 40.15 C ATOM 1933 CG HIS A 129 40.485 -25.281 -55.989 1.00 43.32 C ATOM 1934 ND1 HIS A 129 41.235 -25.055 -57.123 1.00 32.10 N ATOM 1935 CD2 HIS A 129 39.404 -25.990 -56.395 1.00 42.44 C ATOM 1936 CE1 HIS A 129 40.638 -25.604 -58.161 1.00 65.14 C ATOM 1937 NE2 HIS A 129 39.529 -26.176 -57.748 1.00 44.43 N ATOM 0 H HIS A 129 40.924 -24.269 -52.226 1.00 34.54 H new ATOM 0 HA HIS A 129 40.342 -26.636 -53.680 1.00 0.33 H new ATOM 0 HB2 HIS A 129 40.081 -24.103 -54.272 1.00 40.15 H new ATOM 0 HB3 HIS A 129 41.773 -24.165 -54.725 1.00 40.15 H new ATOM 0 HD2 HIS A 129 38.596 -26.342 -55.771 1.00 42.44 H new ATOM 0 HE1 HIS A 129 40.999 -25.587 -59.179 1.00 65.14 H new ATOM 0 HE2 HIS A 129 38.867 -26.678 -58.339 1.00 44.43 H new ATOM 1946 N HIS A 130 43.565 -25.929 -53.418 1.00 61.03 N ATOM 1947 CA HIS A 130 44.928 -26.497 -53.546 1.00 24.31 C ATOM 1948 C HIS A 130 45.379 -26.680 -55.014 1.00 32.04 C ATOM 1949 O HIS A 130 44.565 -26.935 -55.907 1.00 10.33 O ATOM 1950 CB HIS A 130 45.032 -27.847 -52.819 1.00 41.23 C ATOM 1951 CG HIS A 130 44.721 -27.793 -51.353 1.00 61.15 C ATOM 1952 ND1 HIS A 130 43.675 -28.485 -50.781 1.00 61.14 N ATOM 1953 CD2 HIS A 130 45.348 -27.160 -50.331 1.00 44.51 C ATOM 1954 CE1 HIS A 130 43.673 -28.287 -49.481 1.00 53.40 C ATOM 1955 NE2 HIS A 130 44.674 -27.488 -49.182 1.00 41.25 N ATOM 0 H HIS A 130 43.544 -25.004 -52.988 1.00 61.03 H new ATOM 0 HA HIS A 130 45.593 -25.768 -53.083 1.00 24.31 H new ATOM 0 HB2 HIS A 130 44.353 -28.554 -53.295 1.00 41.23 H new ATOM 0 HB3 HIS A 130 46.041 -28.238 -52.949 1.00 41.23 H new ATOM 0 HD2 HIS A 130 46.214 -26.519 -50.407 1.00 44.51 H new ATOM 0 HE1 HIS A 130 42.969 -28.709 -48.779 1.00 53.40 H new ATOM 0 HE2 HIS A 130 44.912 -27.164 -48.245 1.00 41.25 H new ATOM 1964 N HIS A 131 46.695 -26.555 -55.249 1.00 14.51 N ATOM 1965 CA HIS A 131 47.294 -26.844 -56.567 1.00 5.33 C ATOM 1966 C HIS A 131 48.823 -26.672 -56.553 1.00 31.40 C ATOM 1967 O HIS A 131 49.560 -27.619 -56.824 1.00 13.32 O ATOM 1968 CB HIS A 131 46.691 -25.954 -57.663 1.00 14.15 C ATOM 1969 CG HIS A 131 47.146 -26.311 -59.047 1.00 32.52 C ATOM 1970 ND1 HIS A 131 46.696 -27.427 -59.718 1.00 72.13 N ATOM 1971 CD2 HIS A 131 48.011 -25.695 -59.888 1.00 0.20 C ATOM 1972 CE1 HIS A 131 47.266 -27.487 -60.904 1.00 14.45 C ATOM 1973 NE2 HIS A 131 48.065 -26.449 -61.032 1.00 75.33 N ATOM 0 H HIS A 131 47.368 -26.255 -54.543 1.00 14.51 H new ATOM 0 HA HIS A 131 47.065 -27.886 -56.788 1.00 5.33 H new ATOM 0 HB2 HIS A 131 45.604 -26.023 -57.618 1.00 14.15 H new ATOM 0 HB3 HIS A 131 46.953 -24.915 -57.460 1.00 14.15 H new ATOM 0 HD2 HIS A 131 48.555 -24.783 -59.694 1.00 0.20 H new ATOM 0 HE1 HIS A 131 47.105 -28.256 -61.645 1.00 14.45 H new ATOM 0 HE2 HIS A 131 48.634 -26.239 -61.852 1.00 75.33 H new ATOM 1982 N HIS A 132 49.284 -25.458 -56.236 1.00 34.14 N ATOM 1983 CA HIS A 132 50.714 -25.104 -56.310 1.00 31.24 C ATOM 1984 C HIS A 132 51.223 -25.149 -57.757 1.00 61.52 C ATOM 1985 O HIS A 132 50.624 -24.548 -58.655 1.00 40.31 O ATOM 1986 CB HIS A 132 51.570 -26.021 -55.421 1.00 44.31 C ATOM 1987 CG HIS A 132 51.314 -25.857 -53.956 1.00 12.14 C ATOM 1988 ND1 HIS A 132 50.633 -26.784 -53.199 1.00 12.14 N ATOM 1989 CD2 HIS A 132 51.664 -24.867 -53.103 1.00 64.51 C ATOM 1990 CE1 HIS A 132 50.572 -26.372 -51.952 1.00 74.14 C ATOM 1991 NE2 HIS A 132 51.191 -25.213 -51.862 1.00 13.35 N ATOM 0 H HIS A 132 48.685 -24.694 -55.922 1.00 34.14 H new ATOM 0 HA HIS A 132 50.810 -24.083 -55.939 1.00 31.24 H new ATOM 0 HB2 HIS A 132 51.382 -27.058 -55.699 1.00 44.31 H new ATOM 0 HB3 HIS A 132 52.623 -25.823 -55.620 1.00 44.31 H new ATOM 0 HD2 HIS A 132 52.213 -23.971 -53.352 1.00 64.51 H new ATOM 0 HE1 HIS A 132 50.094 -26.896 -51.138 1.00 74.14 H new ATOM 0 HE2 HIS A 132 51.301 -24.663 -51.010 1.00 13.35 H new TER 2000 HIS A 132