USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 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 98 SER OG : rot -75:sc= 0.135 USER MOD Set 1.2: A 101 SER OG : rot -74:sc= 0.14 USER MOD Set 2.1: A 72 MET CE :methyl 163:sc= -0.0182 (180deg=-0.531) USER MOD Set 2.2: A 89 MET CE :methyl 162:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00711 (180deg=-0.205) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -154:sc= -0.111 (180deg=-0.595) USER MOD Single : A 14 THR OG1 : rot 160:sc= 0.545 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -169:sc=-0.00469 (180deg=-0.134) USER MOD Single : A 20 ASN : amide:sc= 0.638 K(o=0.64,f=-0.37) USER MOD Single : A 22 THR OG1 : rot -41:sc= 0.751 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 120:sc= 0.203 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 112:sc= 0.7 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -87:sc= 0.0771 USER MOD Single : A 44 TYR OH : rot -103:sc= 1.15 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.054 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-7.4!) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 1.07 (180deg=1.05) USER MOD Single : A 75 MET CE :methyl -167:sc= -0.678 (180deg=-1.06) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.104 -20.304 17.312 1.00 0.00 N ATOM 2 CA MET A 1 6.455 -19.304 18.336 1.00 0.00 C ATOM 3 C MET A 1 7.343 -18.218 17.735 1.00 0.00 C ATOM 4 O MET A 1 8.367 -18.521 17.131 1.00 0.00 O ATOM 5 CB MET A 1 7.141 -19.979 19.528 1.00 0.00 C ATOM 6 CG MET A 1 7.441 -18.966 20.637 1.00 0.00 C ATOM 7 SD MET A 1 5.985 -18.096 21.286 1.00 0.00 S ATOM 8 CE MET A 1 5.084 -19.493 22.011 1.00 0.00 C ATOM 0 H1 MET A 1 5.500 -21.037 17.735 1.00 0.00 H new ATOM 0 H2 MET A 1 5.593 -19.840 16.534 1.00 0.00 H new ATOM 0 H3 MET A 1 6.972 -20.742 16.943 1.00 0.00 H new ATOM 0 HA MET A 1 5.540 -18.833 18.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.503 -20.772 19.918 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.068 -20.449 19.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.934 -19.484 21.460 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.147 -18.229 20.255 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.263 -19.119 22.622 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.686 -20.122 21.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.761 -20.079 22.633 1.00 0.00 H new ATOM 18 N SER A 2 6.953 -16.951 17.902 1.00 0.00 N ATOM 19 CA SER A 2 7.713 -15.815 17.395 1.00 0.00 C ATOM 20 C SER A 2 7.419 -14.557 18.207 1.00 0.00 C ATOM 21 O SER A 2 6.602 -14.576 19.126 1.00 0.00 O ATOM 22 CB SER A 2 7.365 -15.576 15.924 1.00 0.00 C ATOM 23 OG SER A 2 5.988 -15.289 15.789 1.00 0.00 O ATOM 0 H SER A 2 6.099 -16.688 18.394 1.00 0.00 H new ATOM 0 HA SER A 2 8.775 -16.042 17.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.957 -14.748 15.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.620 -16.457 15.335 1.00 0.00 H new ATOM 0 HG SER A 2 5.777 -15.136 14.844 1.00 0.00 H new ATOM 29 N TYR A 3 8.090 -13.453 17.864 1.00 0.00 N ATOM 30 CA TYR A 3 7.948 -12.185 18.567 1.00 0.00 C ATOM 31 C TYR A 3 8.188 -10.992 17.642 1.00 0.00 C ATOM 32 O TYR A 3 7.802 -9.870 17.970 1.00 0.00 O ATOM 33 CB TYR A 3 8.961 -12.148 19.709 1.00 0.00 C ATOM 34 CG TYR A 3 10.392 -12.373 19.260 1.00 0.00 C ATOM 35 CD1 TYR A 3 11.188 -11.290 18.859 1.00 0.00 C ATOM 36 CD2 TYR A 3 10.913 -13.673 19.238 1.00 0.00 C ATOM 37 CE1 TYR A 3 12.512 -11.503 18.448 1.00 0.00 C ATOM 38 CE2 TYR A 3 12.235 -13.894 18.831 1.00 0.00 C ATOM 39 CZ TYR A 3 13.043 -12.809 18.439 1.00 0.00 C ATOM 40 OH TYR A 3 14.331 -13.023 18.048 1.00 0.00 O ATOM 0 H TYR A 3 8.749 -13.419 17.086 1.00 0.00 H new ATOM 0 HA TYR A 3 6.928 -12.112 18.945 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.894 -11.183 20.211 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.696 -12.909 20.443 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.781 -10.290 18.867 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.294 -14.507 19.535 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.124 -10.668 18.139 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.635 -14.897 18.818 1.00 0.00 H new ATOM 0 HH TYR A 3 14.535 -13.980 18.103 1.00 0.00 H new ATOM 50 N GLY A 4 8.825 -11.226 16.491 1.00 0.00 N ATOM 51 CA GLY A 4 9.150 -10.171 15.543 1.00 0.00 C ATOM 52 C GLY A 4 10.611 -10.274 15.121 1.00 0.00 C ATOM 53 O GLY A 4 11.311 -11.204 15.509 1.00 0.00 O ATOM 0 H GLY A 4 9.127 -12.154 16.196 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.505 -10.247 14.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.962 -9.197 15.994 1.00 0.00 H new ATOM 57 N ARG A 5 11.073 -9.309 14.320 1.00 0.00 N ATOM 58 CA ARG A 5 12.458 -9.252 13.874 1.00 0.00 C ATOM 59 C ARG A 5 12.896 -7.795 13.733 1.00 0.00 C ATOM 60 O ARG A 5 12.053 -6.918 13.546 1.00 0.00 O ATOM 61 CB ARG A 5 12.586 -9.949 12.512 1.00 0.00 C ATOM 62 CG ARG A 5 12.456 -11.472 12.593 1.00 0.00 C ATOM 63 CD ARG A 5 13.596 -12.067 13.420 1.00 0.00 C ATOM 64 NE ARG A 5 13.588 -13.531 13.364 1.00 0.00 N ATOM 65 CZ ARG A 5 12.944 -14.326 14.224 1.00 0.00 C ATOM 66 NH1 ARG A 5 12.223 -13.819 15.221 1.00 0.00 N ATOM 67 NH2 ARG A 5 13.019 -15.644 14.086 1.00 0.00 N ATOM 0 H ARG A 5 10.493 -8.548 13.966 1.00 0.00 H new ATOM 0 HA ARG A 5 13.091 -9.753 14.607 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.820 -9.562 11.841 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.551 -9.697 12.073 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.498 -11.737 13.041 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.467 -11.897 11.589 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.550 -11.692 13.050 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.505 -11.740 14.456 1.00 0.00 H new ATOM 0 HE ARG A 5 14.113 -13.977 12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.155 -12.808 15.338 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.738 -14.441 15.868 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.567 -16.047 13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.529 -16.254 14.740 1.00 0.00 H new ATOM 81 N PRO A 6 14.206 -7.533 13.813 1.00 0.00 N ATOM 82 CA PRO A 6 14.770 -6.206 13.644 1.00 0.00 C ATOM 83 C PRO A 6 14.698 -5.775 12.175 1.00 0.00 C ATOM 84 O PRO A 6 14.461 -6.607 11.299 1.00 0.00 O ATOM 85 CB PRO A 6 16.217 -6.332 14.120 1.00 0.00 C ATOM 86 CG PRO A 6 16.562 -7.791 13.812 1.00 0.00 C ATOM 87 CD PRO A 6 15.243 -8.509 14.080 1.00 0.00 C ATOM 0 HA PRO A 6 14.227 -5.447 14.207 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.876 -5.643 13.592 1.00 0.00 H new ATOM 0 HB3 PRO A 6 16.311 -6.112 15.183 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.892 -7.921 12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.363 -8.162 14.452 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.134 -9.382 13.437 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.192 -8.863 15.110 1.00 0.00 H new ATOM 95 N PRO A 7 14.903 -4.480 11.895 1.00 0.00 N ATOM 96 CA PRO A 7 14.896 -3.941 10.544 1.00 0.00 C ATOM 97 C PRO A 7 16.119 -4.432 9.763 1.00 0.00 C ATOM 98 O PRO A 7 17.106 -4.857 10.364 1.00 0.00 O ATOM 99 CB PRO A 7 14.916 -2.420 10.723 1.00 0.00 C ATOM 100 CG PRO A 7 15.613 -2.227 12.067 1.00 0.00 C ATOM 101 CD PRO A 7 15.153 -3.438 12.871 1.00 0.00 C ATOM 0 HA PRO A 7 14.025 -4.263 9.973 1.00 0.00 H new ATOM 0 HB2 PRO A 7 15.458 -1.928 9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.909 -2.004 10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.697 -2.203 11.959 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.319 -1.292 12.543 1.00 0.00 H new ATOM 0 HD2 PRO A 7 15.915 -3.746 13.587 1.00 0.00 H new ATOM 0 HD3 PRO A 7 14.253 -3.211 13.442 1.00 0.00 H new ATOM 109 N PRO A 8 16.066 -4.377 8.424 1.00 0.00 N ATOM 110 CA PRO A 8 17.137 -4.850 7.561 1.00 0.00 C ATOM 111 C PRO A 8 18.370 -3.956 7.631 1.00 0.00 C ATOM 112 O PRO A 8 19.362 -4.296 8.274 1.00 0.00 O ATOM 113 CB PRO A 8 16.534 -4.853 6.153 1.00 0.00 C ATOM 114 CG PRO A 8 15.431 -3.795 6.214 1.00 0.00 C ATOM 115 CD PRO A 8 14.942 -3.880 7.654 1.00 0.00 C ATOM 0 HA PRO A 8 17.486 -5.837 7.865 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.282 -4.606 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.132 -5.833 5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.813 -2.802 5.977 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.631 -4.007 5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.621 -2.903 8.016 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.085 -4.548 7.737 1.00 0.00 H new ATOM 123 N ASP A 9 18.303 -2.803 6.966 1.00 0.00 N ATOM 124 CA ASP A 9 19.393 -1.841 6.920 1.00 0.00 C ATOM 125 C ASP A 9 18.875 -0.408 6.810 1.00 0.00 C ATOM 126 O ASP A 9 19.327 0.367 5.967 1.00 0.00 O ATOM 127 CB ASP A 9 20.355 -2.164 5.778 1.00 0.00 C ATOM 128 CG ASP A 9 19.742 -1.977 4.385 1.00 0.00 C ATOM 129 OD1 ASP A 9 18.542 -2.282 4.215 1.00 0.00 O ATOM 130 OD2 ASP A 9 20.491 -1.526 3.487 1.00 0.00 O ATOM 0 H ASP A 9 17.479 -2.512 6.440 1.00 0.00 H new ATOM 0 HA ASP A 9 19.940 -1.919 7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 9 21.236 -1.528 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 9 20.694 -3.195 5.881 1.00 0.00 H new ATOM 135 N VAL A 10 17.919 -0.059 7.670 1.00 0.00 N ATOM 136 CA VAL A 10 17.367 1.289 7.771 1.00 0.00 C ATOM 137 C VAL A 10 18.414 2.306 8.244 1.00 0.00 C ATOM 138 O VAL A 10 18.064 3.396 8.692 1.00 0.00 O ATOM 139 CB VAL A 10 16.147 1.275 8.697 1.00 0.00 C ATOM 140 CG1 VAL A 10 15.094 0.316 8.143 1.00 0.00 C ATOM 141 CG2 VAL A 10 16.543 0.835 10.108 1.00 0.00 C ATOM 0 H VAL A 10 17.500 -0.717 8.327 1.00 0.00 H new ATOM 0 HA VAL A 10 17.056 1.607 6.776 1.00 0.00 H new ATOM 0 HB VAL A 10 15.739 2.284 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.227 0.307 8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.790 0.644 7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.513 -0.688 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.661 0.832 10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 10 16.968 -0.168 10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 10 17.282 1.527 10.511 1.00 0.00 H new ATOM 151 N GLU A 11 19.701 1.949 8.148 1.00 0.00 N ATOM 152 CA GLU A 11 20.845 2.743 8.581 1.00 0.00 C ATOM 153 C GLU A 11 20.964 4.095 7.862 1.00 0.00 C ATOM 154 O GLU A 11 21.864 4.877 8.169 1.00 0.00 O ATOM 155 CB GLU A 11 22.114 1.907 8.371 1.00 0.00 C ATOM 156 CG GLU A 11 22.479 1.784 6.887 1.00 0.00 C ATOM 157 CD GLU A 11 23.739 0.945 6.693 1.00 0.00 C ATOM 158 OE1 GLU A 11 23.670 -0.274 6.966 1.00 0.00 O ATOM 159 OE2 GLU A 11 24.762 1.528 6.275 1.00 0.00 O ATOM 0 H GLU A 11 19.980 1.054 7.746 1.00 0.00 H new ATOM 0 HA GLU A 11 20.705 2.987 9.634 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.943 2.363 8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.967 0.912 8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.650 1.331 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.632 2.777 6.465 1.00 0.00 H new ATOM 166 N GLY A 12 20.070 4.377 6.908 1.00 0.00 N ATOM 167 CA GLY A 12 20.117 5.601 6.125 1.00 0.00 C ATOM 168 C GLY A 12 18.792 5.884 5.423 1.00 0.00 C ATOM 169 O GLY A 12 18.774 6.559 4.394 1.00 0.00 O ATOM 0 H GLY A 12 19.297 3.759 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 12 20.368 6.438 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 12 20.911 5.526 5.382 1.00 0.00 H new ATOM 173 N MET A 13 17.688 5.368 5.971 1.00 0.00 N ATOM 174 CA MET A 13 16.366 5.520 5.392 1.00 0.00 C ATOM 175 C MET A 13 15.335 5.732 6.498 1.00 0.00 C ATOM 176 O MET A 13 15.589 5.386 7.652 1.00 0.00 O ATOM 177 CB MET A 13 15.996 4.253 4.614 1.00 0.00 C ATOM 178 CG MET A 13 16.982 3.960 3.480 1.00 0.00 C ATOM 179 SD MET A 13 16.575 2.474 2.530 1.00 0.00 S ATOM 180 CE MET A 13 16.768 1.219 3.822 1.00 0.00 C ATOM 0 H MET A 13 17.696 4.829 6.837 1.00 0.00 H new ATOM 0 HA MET A 13 16.372 6.381 4.724 1.00 0.00 H new ATOM 0 HB2 MET A 13 15.969 3.404 5.297 1.00 0.00 H new ATOM 0 HB3 MET A 13 14.993 4.362 4.201 1.00 0.00 H new ATOM 0 HG2 MET A 13 17.011 4.816 2.805 1.00 0.00 H new ATOM 0 HG3 MET A 13 17.982 3.850 3.899 1.00 0.00 H new ATOM 0 HE1 MET A 13 17.013 0.260 3.364 1.00 0.00 H new ATOM 0 HE2 MET A 13 17.570 1.514 4.499 1.00 0.00 H new ATOM 0 HE3 MET A 13 15.837 1.127 4.381 1.00 0.00 H new ATOM 190 N THR A 14 14.175 6.293 6.146 1.00 0.00 N ATOM 191 CA THR A 14 13.090 6.498 7.101 1.00 0.00 C ATOM 192 C THR A 14 11.730 6.402 6.415 1.00 0.00 C ATOM 193 O THR A 14 10.773 5.923 7.016 1.00 0.00 O ATOM 194 CB THR A 14 13.227 7.865 7.776 1.00 0.00 C ATOM 195 OG1 THR A 14 14.483 7.966 8.410 1.00 0.00 O ATOM 196 CG2 THR A 14 12.145 8.076 8.839 1.00 0.00 C ATOM 0 H THR A 14 13.966 6.614 5.201 1.00 0.00 H new ATOM 0 HA THR A 14 13.156 5.713 7.855 1.00 0.00 H new ATOM 0 HB THR A 14 13.123 8.622 6.998 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.699 8.910 8.559 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.272 9.056 9.298 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.161 8.018 8.373 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.230 7.304 9.603 1.00 0.00 H new ATOM 203 N SER A 15 11.640 6.860 5.165 1.00 0.00 N ATOM 204 CA SER A 15 10.401 6.797 4.406 1.00 0.00 C ATOM 205 C SER A 15 10.085 5.361 4.036 1.00 0.00 C ATOM 206 O SER A 15 10.981 4.579 3.712 1.00 0.00 O ATOM 207 CB SER A 15 10.525 7.652 3.146 1.00 0.00 C ATOM 208 OG SER A 15 10.802 8.989 3.503 1.00 0.00 O ATOM 0 H SER A 15 12.419 7.280 4.659 1.00 0.00 H new ATOM 0 HA SER A 15 9.587 7.183 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.319 7.264 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.601 7.603 2.570 1.00 0.00 H new ATOM 0 HG SER A 15 10.883 9.534 2.693 1.00 0.00 H new ATOM 214 N LEU A 16 8.798 5.025 4.087 1.00 0.00 N ATOM 215 CA LEU A 16 8.317 3.714 3.669 1.00 0.00 C ATOM 216 C LEU A 16 7.720 3.857 2.277 1.00 0.00 C ATOM 217 O LEU A 16 7.388 4.974 1.893 1.00 0.00 O ATOM 218 CB LEU A 16 7.262 3.217 4.658 1.00 0.00 C ATOM 219 CG LEU A 16 6.853 1.760 4.428 1.00 0.00 C ATOM 220 CD1 LEU A 16 8.022 0.826 4.729 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.669 1.421 5.330 1.00 0.00 C ATOM 0 H LEU A 16 8.064 5.651 4.418 1.00 0.00 H new ATOM 0 HA LEU A 16 9.132 2.990 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.647 3.323 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.378 3.851 4.584 1.00 0.00 H new ATOM 0 HG LEU A 16 6.567 1.629 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.715 -0.206 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.859 1.067 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.328 0.949 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.374 0.384 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.955 1.560 6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.831 2.077 5.093 1.00 0.00 H new ATOM 233 N LYS A 17 7.590 2.736 1.562 1.00 0.00 N ATOM 234 CA LYS A 17 6.985 2.597 0.239 1.00 0.00 C ATOM 235 C LYS A 17 6.236 1.268 0.209 1.00 0.00 C ATOM 236 O LYS A 17 6.761 0.236 0.624 1.00 0.00 O ATOM 237 CB LYS A 17 8.089 2.660 -0.825 1.00 0.00 C ATOM 238 CG LYS A 17 7.793 1.925 -2.135 1.00 0.00 C ATOM 239 CD LYS A 17 6.621 2.518 -2.914 1.00 0.00 C ATOM 240 CE LYS A 17 6.284 1.640 -4.115 1.00 0.00 C ATOM 241 NZ LYS A 17 7.400 1.587 -5.081 1.00 0.00 N ATOM 0 H LYS A 17 7.928 1.842 1.919 1.00 0.00 H new ATOM 0 HA LYS A 17 6.281 3.402 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.287 3.707 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.003 2.248 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.684 1.945 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.581 0.879 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.751 2.606 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.871 3.524 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.049 0.632 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.392 2.026 -4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.075 1.141 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.731 2.552 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.181 1.030 -4.679 1.00 0.00 H new ATOM 255 N VAL A 18 4.999 1.288 -0.287 1.00 0.00 N ATOM 256 CA VAL A 18 4.193 0.080 -0.419 1.00 0.00 C ATOM 257 C VAL A 18 3.674 -0.057 -1.834 1.00 0.00 C ATOM 258 O VAL A 18 3.295 0.951 -2.432 1.00 0.00 O ATOM 259 CB VAL A 18 3.018 0.174 0.542 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.895 -0.784 0.136 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.512 -0.138 1.943 1.00 0.00 C ATOM 0 H VAL A 18 4.532 2.137 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 18 4.806 -0.791 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 18 2.606 1.183 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.068 -0.695 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.546 -0.532 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.270 -1.808 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.680 -0.075 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.930 -1.144 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.281 0.581 2.226 1.00 0.00 H new ATOM 271 N ASP A 19 3.674 -1.313 -2.312 1.00 0.00 N ATOM 272 CA ASP A 19 3.426 -1.738 -3.685 1.00 0.00 C ATOM 273 C ASP A 19 2.600 -3.037 -3.725 1.00 0.00 C ATOM 274 O ASP A 19 2.450 -3.712 -2.709 1.00 0.00 O ATOM 275 CB ASP A 19 4.803 -1.896 -4.355 1.00 0.00 C ATOM 276 CG ASP A 19 4.958 -3.129 -5.249 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.416 -3.110 -6.373 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.627 -4.086 -4.796 1.00 0.00 O ATOM 0 H ASP A 19 3.861 -2.107 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 19 2.832 -1.001 -4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.002 -1.007 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.565 -1.934 -3.577 1.00 0.00 H new ATOM 283 N ASN A 20 2.064 -3.372 -4.908 1.00 0.00 N ATOM 284 CA ASN A 20 1.272 -4.560 -5.237 1.00 0.00 C ATOM 285 C ASN A 20 -0.222 -4.296 -5.036 1.00 0.00 C ATOM 286 O ASN A 20 -0.694 -4.250 -3.902 1.00 0.00 O ATOM 287 CB ASN A 20 1.727 -5.800 -4.460 1.00 0.00 C ATOM 288 CG ASN A 20 1.379 -7.081 -5.210 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.715 -7.231 -6.381 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.701 -8.021 -4.555 1.00 0.00 N ATOM 0 H ASN A 20 2.184 -2.769 -5.722 1.00 0.00 H new ATOM 0 HA ASN A 20 1.442 -4.773 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.803 -5.754 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.254 -5.811 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.449 -8.890 -5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.433 -7.872 -3.582 1.00 0.00 H new ATOM 297 N LEU A 21 -0.961 -4.124 -6.137 1.00 0.00 N ATOM 298 CA LEU A 21 -2.389 -3.820 -6.126 1.00 0.00 C ATOM 299 C LEU A 21 -3.182 -4.771 -7.027 1.00 0.00 C ATOM 300 O LEU A 21 -2.612 -5.618 -7.714 1.00 0.00 O ATOM 301 CB LEU A 21 -2.629 -2.385 -6.611 1.00 0.00 C ATOM 302 CG LEU A 21 -1.774 -1.339 -5.903 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.111 0.024 -6.505 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.020 -1.303 -4.400 1.00 0.00 C ATOM 0 H LEU A 21 -0.572 -4.194 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.731 -3.940 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.431 -2.337 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.681 -2.136 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.724 -1.595 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.514 0.795 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.891 0.015 -7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.170 0.236 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.386 -0.541 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.066 -1.066 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.784 -2.276 -3.969 1.00 0.00 H new ATOM 316 N THR A 22 -4.509 -4.614 -7.018 1.00 0.00 N ATOM 317 CA THR A 22 -5.425 -5.398 -7.841 1.00 0.00 C ATOM 318 C THR A 22 -6.397 -4.499 -8.607 1.00 0.00 C ATOM 319 O THR A 22 -7.398 -5.004 -9.105 1.00 0.00 O ATOM 320 CB THR A 22 -6.192 -6.404 -6.978 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.890 -7.315 -7.795 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.179 -5.734 -6.022 1.00 0.00 C ATOM 0 H THR A 22 -4.981 -3.928 -6.429 1.00 0.00 H new ATOM 0 HA THR A 22 -4.830 -5.945 -8.573 1.00 0.00 H new ATOM 0 HB THR A 22 -5.448 -6.925 -6.376 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.286 -6.837 -8.553 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.693 -6.496 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.639 -5.065 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.909 -5.163 -6.595 1.00 0.00 H new ATOM 329 N TYR A 23 -6.100 -3.193 -8.694 1.00 0.00 N ATOM 330 CA TYR A 23 -6.879 -2.179 -9.419 1.00 0.00 C ATOM 331 C TYR A 23 -8.047 -1.628 -8.604 1.00 0.00 C ATOM 332 O TYR A 23 -8.701 -0.674 -9.022 1.00 0.00 O ATOM 333 CB TYR A 23 -7.321 -2.709 -10.791 1.00 0.00 C ATOM 334 CG TYR A 23 -8.814 -2.670 -11.050 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.691 -3.463 -10.295 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.317 -1.834 -12.057 1.00 0.00 C ATOM 337 CE1 TYR A 23 -11.070 -3.418 -10.545 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.694 -1.782 -12.316 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.577 -2.576 -11.554 1.00 0.00 C ATOM 340 OH TYR A 23 -12.918 -2.535 -11.795 1.00 0.00 O ATOM 0 H TYR A 23 -5.275 -2.799 -8.242 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.219 -1.328 -9.588 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.819 -2.129 -11.565 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.978 -3.739 -10.892 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.304 -4.109 -9.521 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.639 -1.226 -12.637 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.744 -4.029 -9.963 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.076 -1.138 -13.094 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.101 -1.903 -12.522 1.00 0.00 H new ATOM 350 N ARG A 24 -8.299 -2.227 -7.440 1.00 0.00 N ATOM 351 CA ARG A 24 -9.420 -1.866 -6.579 1.00 0.00 C ATOM 352 C ARG A 24 -8.980 -1.542 -5.148 1.00 0.00 C ATOM 353 O ARG A 24 -9.777 -1.036 -4.361 1.00 0.00 O ATOM 354 CB ARG A 24 -10.409 -3.033 -6.630 1.00 0.00 C ATOM 355 CG ARG A 24 -11.671 -2.780 -5.807 1.00 0.00 C ATOM 356 CD ARG A 24 -12.616 -3.968 -5.957 1.00 0.00 C ATOM 357 NE ARG A 24 -12.071 -5.157 -5.285 1.00 0.00 N ATOM 358 CZ ARG A 24 -12.550 -6.395 -5.433 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.584 -6.633 -6.237 1.00 0.00 N ATOM 360 NH2 ARG A 24 -11.995 -7.408 -4.769 1.00 0.00 N ATOM 0 H ARG A 24 -7.724 -2.983 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.890 -0.950 -6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.689 -3.220 -7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.918 -3.935 -6.265 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.412 -2.636 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.161 -1.866 -6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.589 -3.720 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.773 -4.182 -7.014 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.273 -5.027 -4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.020 -5.865 -6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.941 -7.583 -6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.204 -7.238 -4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.361 -8.353 -4.882 1.00 0.00 H new ATOM 374 N THR A 25 -7.721 -1.825 -4.800 1.00 0.00 N ATOM 375 CA THR A 25 -7.229 -1.579 -3.451 1.00 0.00 C ATOM 376 C THR A 25 -7.318 -0.101 -3.093 1.00 0.00 C ATOM 377 O THR A 25 -7.741 0.228 -1.988 1.00 0.00 O ATOM 378 CB THR A 25 -5.797 -2.099 -3.338 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.821 -3.499 -3.492 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.192 -1.771 -1.977 1.00 0.00 C ATOM 0 H THR A 25 -7.030 -2.223 -5.435 1.00 0.00 H new ATOM 0 HA THR A 25 -7.856 -2.113 -2.737 1.00 0.00 H new ATOM 0 HB THR A 25 -5.191 -1.623 -4.109 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.276 -3.752 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.173 -2.155 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.180 -0.690 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.791 -2.233 -1.192 1.00 0.00 H new ATOM 387 N SER A 26 -6.930 0.786 -4.016 1.00 0.00 N ATOM 388 CA SER A 26 -6.991 2.236 -3.848 1.00 0.00 C ATOM 389 C SER A 26 -6.207 2.769 -2.634 1.00 0.00 C ATOM 390 O SER A 26 -5.909 2.046 -1.685 1.00 0.00 O ATOM 391 CB SER A 26 -8.468 2.647 -3.813 1.00 0.00 C ATOM 392 OG SER A 26 -9.029 2.476 -5.099 1.00 0.00 O ATOM 0 H SER A 26 -6.556 0.505 -4.922 1.00 0.00 H new ATOM 0 HA SER A 26 -6.488 2.698 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.009 2.043 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.561 3.686 -3.498 1.00 0.00 H new ATOM 0 HG SER A 26 -9.974 2.736 -5.081 1.00 0.00 H new ATOM 398 N PRO A 27 -5.864 4.068 -2.654 1.00 0.00 N ATOM 399 CA PRO A 27 -5.121 4.723 -1.582 1.00 0.00 C ATOM 400 C PRO A 27 -5.938 4.785 -0.296 1.00 0.00 C ATOM 401 O PRO A 27 -5.364 4.901 0.783 1.00 0.00 O ATOM 402 CB PRO A 27 -4.799 6.124 -2.104 1.00 0.00 C ATOM 403 CG PRO A 27 -5.824 6.383 -3.202 1.00 0.00 C ATOM 404 CD PRO A 27 -6.173 4.994 -3.729 1.00 0.00 C ATOM 0 HA PRO A 27 -4.215 4.172 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.875 6.868 -1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.782 6.176 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.705 6.893 -2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.413 7.015 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.226 4.935 -4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.596 4.760 -4.624 1.00 0.00 H new ATOM 412 N ASP A 28 -7.267 4.707 -0.402 1.00 0.00 N ATOM 413 CA ASP A 28 -8.152 4.775 0.749 1.00 0.00 C ATOM 414 C ASP A 28 -7.990 3.557 1.657 1.00 0.00 C ATOM 415 O ASP A 28 -7.829 3.688 2.873 1.00 0.00 O ATOM 416 CB ASP A 28 -9.583 4.830 0.227 1.00 0.00 C ATOM 417 CG ASP A 28 -9.863 6.145 -0.498 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.180 7.136 0.196 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.755 6.146 -1.744 1.00 0.00 O ATOM 0 H ASP A 28 -7.754 4.595 -1.291 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.907 5.658 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.756 3.995 -0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.279 4.716 1.058 1.00 0.00 H new ATOM 424 N THR A 29 -8.032 2.355 1.067 1.00 0.00 N ATOM 425 CA THR A 29 -7.942 1.132 1.851 1.00 0.00 C ATOM 426 C THR A 29 -6.553 1.041 2.446 1.00 0.00 C ATOM 427 O THR A 29 -6.396 0.671 3.607 1.00 0.00 O ATOM 428 CB THR A 29 -8.181 -0.095 0.969 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.385 0.046 0.247 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.292 -1.352 1.833 1.00 0.00 C ATOM 0 H THR A 29 -8.127 2.211 0.062 1.00 0.00 H new ATOM 0 HA THR A 29 -8.700 1.156 2.634 1.00 0.00 H new ATOM 0 HB THR A 29 -7.340 -0.182 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.184 0.149 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.462 -2.219 1.194 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.368 -1.491 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.125 -1.244 2.527 1.00 0.00 H new ATOM 437 N LEU A 30 -5.538 1.381 1.650 1.00 0.00 N ATOM 438 CA LEU A 30 -4.166 1.340 2.117 1.00 0.00 C ATOM 439 C LEU A 30 -3.983 2.301 3.282 1.00 0.00 C ATOM 440 O LEU A 30 -3.170 2.051 4.165 1.00 0.00 O ATOM 441 CB LEU A 30 -3.237 1.738 0.972 1.00 0.00 C ATOM 442 CG LEU A 30 -3.314 0.766 -0.204 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.683 1.421 -1.429 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.574 -0.525 0.136 1.00 0.00 C ATOM 0 H LEU A 30 -5.647 1.686 0.683 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.927 0.331 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.495 2.740 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.211 1.781 1.338 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.356 0.525 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.733 0.735 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.224 2.336 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.641 1.661 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.634 -1.212 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.529 -0.300 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.030 -0.986 1.012 1.00 0.00 H new ATOM 456 N ARG A 31 -4.736 3.407 3.299 1.00 0.00 N ATOM 457 CA ARG A 31 -4.580 4.402 4.344 1.00 0.00 C ATOM 458 C ARG A 31 -4.874 3.781 5.701 1.00 0.00 C ATOM 459 O ARG A 31 -4.034 3.822 6.594 1.00 0.00 O ATOM 460 CB ARG A 31 -5.523 5.580 4.079 1.00 0.00 C ATOM 461 CG ARG A 31 -4.989 6.908 4.620 1.00 0.00 C ATOM 462 CD ARG A 31 -4.480 6.804 6.053 1.00 0.00 C ATOM 463 NE ARG A 31 -4.102 8.123 6.573 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.905 8.914 7.293 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.150 8.549 7.582 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.452 10.087 7.726 1.00 0.00 N ATOM 0 H ARG A 31 -5.450 3.626 2.605 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.553 4.766 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.688 5.672 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.492 5.372 4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.181 7.257 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.779 7.657 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.252 6.367 6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.621 6.134 6.090 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.161 8.460 6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.508 7.652 7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.748 9.166 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.499 10.377 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.058 10.696 8.276 1.00 0.00 H new ATOM 480 N ARG A 32 -6.066 3.206 5.852 1.00 0.00 N ATOM 481 CA ARG A 32 -6.490 2.630 7.129 1.00 0.00 C ATOM 482 C ARG A 32 -5.938 1.223 7.353 1.00 0.00 C ATOM 483 O ARG A 32 -6.118 0.657 8.426 1.00 0.00 O ATOM 484 CB ARG A 32 -8.017 2.652 7.188 1.00 0.00 C ATOM 485 CG ARG A 32 -8.619 1.767 6.093 1.00 0.00 C ATOM 486 CD ARG A 32 -9.873 2.419 5.519 1.00 0.00 C ATOM 487 NE ARG A 32 -10.909 2.574 6.548 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.047 3.251 6.374 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.323 3.840 5.212 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.921 3.344 7.370 1.00 0.00 N ATOM 0 H ARG A 32 -6.757 3.126 5.106 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.080 3.234 7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.352 2.306 8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.375 3.675 7.072 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.888 1.608 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.864 0.787 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.621 3.394 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.259 1.813 4.699 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.749 2.136 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.661 3.778 4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.197 4.353 5.095 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.722 2.899 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.791 3.861 7.239 1.00 0.00 H new ATOM 504 N VAL A 33 -5.267 0.660 6.346 1.00 0.00 N ATOM 505 CA VAL A 33 -4.585 -0.624 6.469 1.00 0.00 C ATOM 506 C VAL A 33 -3.147 -0.445 6.937 1.00 0.00 C ATOM 507 O VAL A 33 -2.525 -1.405 7.395 1.00 0.00 O ATOM 508 CB VAL A 33 -4.617 -1.323 5.109 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.574 -2.434 5.000 1.00 0.00 C ATOM 510 CG2 VAL A 33 -5.994 -1.962 4.923 1.00 0.00 C ATOM 0 H VAL A 33 -5.183 1.084 5.422 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.097 -1.230 7.216 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.402 -0.572 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.638 -2.898 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.578 -2.013 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.760 -3.185 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.034 -2.465 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.169 -2.687 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.762 -1.189 4.962 1.00 0.00 H new ATOM 520 N PHE A 34 -2.608 0.769 6.838 1.00 0.00 N ATOM 521 CA PHE A 34 -1.219 1.020 7.178 1.00 0.00 C ATOM 522 C PHE A 34 -1.100 2.058 8.273 1.00 0.00 C ATOM 523 O PHE A 34 -0.236 1.930 9.138 1.00 0.00 O ATOM 524 CB PHE A 34 -0.489 1.473 5.914 1.00 0.00 C ATOM 525 CG PHE A 34 0.038 0.340 5.077 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.210 -0.311 5.475 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.632 -0.052 3.914 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.712 -1.371 4.708 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.124 -1.102 3.138 1.00 0.00 C ATOM 530 CZ PHE A 34 1.045 -1.768 3.542 1.00 0.00 C ATOM 0 H PHE A 34 -3.119 1.594 6.523 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.766 0.105 7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.168 2.074 5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.341 2.120 6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.726 0.002 6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.538 0.453 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.613 -1.882 5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.630 -1.399 2.231 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.430 -2.587 2.953 1.00 0.00 H new ATOM 540 N GLU A 35 -1.947 3.086 8.263 1.00 0.00 N ATOM 541 CA GLU A 35 -1.860 4.087 9.307 1.00 0.00 C ATOM 542 C GLU A 35 -2.268 3.487 10.645 1.00 0.00 C ATOM 543 O GLU A 35 -1.965 4.047 11.694 1.00 0.00 O ATOM 544 CB GLU A 35 -2.717 5.314 8.970 1.00 0.00 C ATOM 545 CG GLU A 35 -4.198 5.174 9.336 1.00 0.00 C ATOM 546 CD GLU A 35 -4.481 5.485 10.806 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.972 6.521 11.289 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.205 4.684 11.438 1.00 0.00 O ATOM 0 H GLU A 35 -2.676 3.240 7.566 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.825 4.420 9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.308 6.181 9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.637 5.515 7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.787 5.843 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.527 4.159 9.115 1.00 0.00 H new ATOM 555 N LYS A 36 -2.956 2.344 10.601 1.00 0.00 N ATOM 556 CA LYS A 36 -3.472 1.684 11.783 1.00 0.00 C ATOM 557 C LYS A 36 -2.357 1.308 12.750 1.00 0.00 C ATOM 558 O LYS A 36 -2.566 1.298 13.961 1.00 0.00 O ATOM 559 CB LYS A 36 -4.244 0.434 11.355 1.00 0.00 C ATOM 560 CG LYS A 36 -3.331 -0.612 10.703 1.00 0.00 C ATOM 561 CD LYS A 36 -4.118 -1.734 10.027 1.00 0.00 C ATOM 562 CE LYS A 36 -5.199 -2.291 10.948 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.794 -3.518 10.383 1.00 0.00 N ATOM 0 H LYS A 36 -3.168 1.853 9.732 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.134 2.374 12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.734 -0.004 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.030 0.716 10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.693 -0.124 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.674 -1.039 11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.576 -1.359 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.437 -2.534 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.772 -2.507 11.927 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.976 -1.541 11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.526 -3.877 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.221 -3.303 9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.054 -4.239 10.263 1.00 0.00 H new ATOM 577 N TYR A 37 -1.178 0.998 12.210 1.00 0.00 N ATOM 578 CA TYR A 37 -0.049 0.640 13.043 1.00 0.00 C ATOM 579 C TYR A 37 0.575 1.876 13.690 1.00 0.00 C ATOM 580 O TYR A 37 1.265 1.759 14.702 1.00 0.00 O ATOM 581 CB TYR A 37 1.002 -0.077 12.202 1.00 0.00 C ATOM 582 CG TYR A 37 0.495 -1.374 11.621 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.621 -2.562 12.358 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.098 -1.392 10.351 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.137 -3.770 11.834 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.574 -2.597 9.820 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.469 -3.790 10.562 1.00 0.00 C ATOM 588 OH TYR A 37 -0.944 -4.962 10.052 1.00 0.00 O ATOM 0 H TYR A 37 -0.989 0.990 11.208 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.406 -0.019 13.834 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.323 0.578 11.392 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.879 -0.277 12.817 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.091 -2.546 13.330 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.188 -0.478 9.783 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.229 -4.683 12.404 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.023 -2.612 8.838 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.223 -5.429 9.580 1.00 0.00 H new ATOM 598 N GLY A 38 0.335 3.060 13.116 1.00 0.00 N ATOM 599 CA GLY A 38 0.809 4.304 13.695 1.00 0.00 C ATOM 600 C GLY A 38 0.272 5.515 12.939 1.00 0.00 C ATOM 601 O GLY A 38 -0.512 6.288 13.490 1.00 0.00 O ATOM 0 H GLY A 38 -0.188 3.174 12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.502 4.360 14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.899 4.320 13.682 1.00 0.00 H new ATOM 605 N ARG A 39 0.688 5.683 11.676 1.00 0.00 N ATOM 606 CA ARG A 39 0.198 6.757 10.822 1.00 0.00 C ATOM 607 C ARG A 39 0.658 6.554 9.387 1.00 0.00 C ATOM 608 O ARG A 39 1.505 5.705 9.120 1.00 0.00 O ATOM 609 CB ARG A 39 0.727 8.106 11.340 1.00 0.00 C ATOM 610 CG ARG A 39 -0.201 9.282 11.031 1.00 0.00 C ATOM 611 CD ARG A 39 -1.546 9.090 11.723 1.00 0.00 C ATOM 612 NE ARG A 39 -2.354 10.316 11.642 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.692 10.344 11.670 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.402 9.222 11.736 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.328 11.510 11.628 1.00 0.00 N ATOM 0 H ARG A 39 1.372 5.076 11.225 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.892 6.750 10.845 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.872 8.041 12.418 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.705 8.298 10.898 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.257 10.213 11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.347 9.366 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.084 8.263 11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.388 8.822 12.768 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.861 11.205 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.928 8.319 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.421 9.264 11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.797 12.379 11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.347 11.536 11.649 1.00 0.00 H new ATOM 629 N VAL A 40 0.088 7.342 8.478 1.00 0.00 N ATOM 630 CA VAL A 40 0.455 7.345 7.069 1.00 0.00 C ATOM 631 C VAL A 40 0.670 8.791 6.647 1.00 0.00 C ATOM 632 O VAL A 40 -0.283 9.525 6.379 1.00 0.00 O ATOM 633 CB VAL A 40 -0.646 6.663 6.249 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.514 6.932 4.762 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.557 5.148 6.395 1.00 0.00 C ATOM 0 H VAL A 40 -0.653 8.005 8.706 1.00 0.00 H new ATOM 0 HA VAL A 40 1.375 6.786 6.897 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.585 7.067 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.318 6.426 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.576 8.005 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.447 6.559 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.346 4.679 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.414 4.805 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.676 4.876 7.444 1.00 0.00 H new ATOM 645 N GLY A 41 1.945 9.186 6.596 1.00 0.00 N ATOM 646 CA GLY A 41 2.342 10.510 6.159 1.00 0.00 C ATOM 647 C GLY A 41 1.930 10.796 4.718 1.00 0.00 C ATOM 648 O GLY A 41 1.686 11.948 4.367 1.00 0.00 O ATOM 0 H GLY A 41 2.728 8.587 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.895 11.256 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.423 10.611 6.251 1.00 0.00 H new ATOM 652 N ASP A 42 1.850 9.756 3.884 1.00 0.00 N ATOM 653 CA ASP A 42 1.496 9.880 2.481 1.00 0.00 C ATOM 654 C ASP A 42 0.918 8.557 1.993 1.00 0.00 C ATOM 655 O ASP A 42 1.365 7.489 2.407 1.00 0.00 O ATOM 656 CB ASP A 42 2.762 10.195 1.674 1.00 0.00 C ATOM 657 CG ASP A 42 3.171 11.658 1.786 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.432 12.505 1.237 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.219 11.921 2.418 1.00 0.00 O ATOM 0 H ASP A 42 2.033 8.796 4.175 1.00 0.00 H new ATOM 0 HA ASP A 42 0.762 10.676 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.579 9.564 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.593 9.947 0.626 1.00 0.00 H new ATOM 664 N VAL A 43 -0.078 8.614 1.108 1.00 0.00 N ATOM 665 CA VAL A 43 -0.664 7.419 0.523 1.00 0.00 C ATOM 666 C VAL A 43 -1.189 7.792 -0.862 1.00 0.00 C ATOM 667 O VAL A 43 -2.083 8.625 -0.996 1.00 0.00 O ATOM 668 CB VAL A 43 -1.743 6.855 1.469 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.175 7.279 1.146 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.678 5.337 1.567 1.00 0.00 C ATOM 0 H VAL A 43 -0.495 9.486 0.782 1.00 0.00 H new ATOM 0 HA VAL A 43 0.067 6.620 0.398 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.497 7.303 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.859 6.831 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.253 8.365 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.436 6.944 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.456 4.982 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.830 4.902 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.701 5.039 1.948 1.00 0.00 H new ATOM 680 N TYR A 44 -0.630 7.177 -1.905 1.00 0.00 N ATOM 681 CA TYR A 44 -1.114 7.437 -3.254 1.00 0.00 C ATOM 682 C TYR A 44 -0.778 6.285 -4.199 1.00 0.00 C ATOM 683 O TYR A 44 0.020 5.412 -3.865 1.00 0.00 O ATOM 684 CB TYR A 44 -0.528 8.752 -3.774 1.00 0.00 C ATOM 685 CG TYR A 44 0.864 8.636 -4.353 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.005 8.359 -5.720 1.00 0.00 C ATOM 687 CD2 TYR A 44 1.996 8.811 -3.548 1.00 0.00 C ATOM 688 CE1 TYR A 44 2.277 8.267 -6.294 1.00 0.00 C ATOM 689 CE2 TYR A 44 3.276 8.738 -4.119 1.00 0.00 C ATOM 690 CZ TYR A 44 3.422 8.465 -5.496 1.00 0.00 C ATOM 691 OH TYR A 44 4.662 8.398 -6.053 1.00 0.00 O ATOM 0 H TYR A 44 0.140 6.511 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.200 7.523 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.193 9.154 -4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.509 9.474 -2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.127 8.216 -6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.885 9.002 -2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.382 8.045 -7.346 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.150 8.891 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 44 5.075 7.538 -5.830 1.00 0.00 H new ATOM 701 N ILE A 45 -1.394 6.293 -5.382 1.00 0.00 N ATOM 702 CA ILE A 45 -1.163 5.291 -6.411 1.00 0.00 C ATOM 703 C ILE A 45 -0.660 6.025 -7.660 1.00 0.00 C ATOM 704 O ILE A 45 -1.379 6.861 -8.205 1.00 0.00 O ATOM 705 CB ILE A 45 -2.456 4.518 -6.706 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.801 3.467 -5.645 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.300 3.754 -8.026 1.00 0.00 C ATOM 708 CD1 ILE A 45 -2.997 4.040 -4.246 1.00 0.00 C ATOM 0 H ILE A 45 -2.073 7.005 -5.651 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.423 4.561 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.247 5.267 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.711 2.948 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.005 2.723 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.217 3.204 -8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.105 4.459 -8.834 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.468 3.055 -7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.238 3.234 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.080 4.534 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.813 4.763 -4.260 1.00 0.00 H new ATOM 720 N PRO A 46 0.563 5.720 -8.116 1.00 0.00 N ATOM 721 CA PRO A 46 1.162 6.235 -9.342 1.00 0.00 C ATOM 722 C PRO A 46 0.485 5.643 -10.580 1.00 0.00 C ATOM 723 O PRO A 46 1.140 5.031 -11.420 1.00 0.00 O ATOM 724 CB PRO A 46 2.645 5.872 -9.256 1.00 0.00 C ATOM 725 CG PRO A 46 2.640 4.610 -8.405 1.00 0.00 C ATOM 726 CD PRO A 46 1.483 4.823 -7.438 1.00 0.00 C ATOM 0 HA PRO A 46 1.033 7.313 -9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.074 5.692 -10.242 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.229 6.668 -8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.492 3.718 -9.014 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.584 4.482 -7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.999 3.878 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.831 5.255 -6.500 1.00 0.00 H new ATOM 734 N ARG A 47 -0.835 5.825 -10.691 1.00 0.00 N ATOM 735 CA ARG A 47 -1.647 5.303 -11.786 1.00 0.00 C ATOM 736 C ARG A 47 -1.260 5.916 -13.138 1.00 0.00 C ATOM 737 O ARG A 47 -0.242 6.590 -13.271 1.00 0.00 O ATOM 738 CB ARG A 47 -3.137 5.513 -11.475 1.00 0.00 C ATOM 739 CG ARG A 47 -3.539 6.980 -11.581 1.00 0.00 C ATOM 740 CD ARG A 47 -5.039 7.133 -11.334 1.00 0.00 C ATOM 741 NE ARG A 47 -5.810 6.503 -12.414 1.00 0.00 N ATOM 742 CZ ARG A 47 -7.098 6.144 -12.341 1.00 0.00 C ATOM 743 NH1 ARG A 47 -7.809 6.361 -11.238 1.00 0.00 N ATOM 744 NH2 ARG A 47 -7.672 5.563 -13.389 1.00 0.00 N ATOM 0 H ARG A 47 -1.377 6.351 -10.005 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.454 4.234 -11.871 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.739 4.921 -12.165 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.353 5.149 -10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.981 7.571 -10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.284 7.364 -12.569 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.303 6.679 -10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.295 8.190 -11.266 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.324 6.324 -13.293 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.374 6.807 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.789 6.081 -11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.132 5.395 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.652 5.285 -13.345 1.00 0.00 H new ATOM 758 N ASP A 48 -2.098 5.664 -14.144 1.00 0.00 N ATOM 759 CA ASP A 48 -1.906 6.102 -15.520 1.00 0.00 C ATOM 760 C ASP A 48 -1.830 7.626 -15.695 1.00 0.00 C ATOM 761 O ASP A 48 -1.861 8.396 -14.736 1.00 0.00 O ATOM 762 CB ASP A 48 -3.085 5.588 -16.345 1.00 0.00 C ATOM 763 CG ASP A 48 -4.313 6.483 -16.143 1.00 0.00 C ATOM 764 OD1 ASP A 48 -4.835 6.506 -15.008 1.00 0.00 O ATOM 765 OD2 ASP A 48 -4.714 7.136 -17.131 1.00 0.00 O ATOM 0 H ASP A 48 -2.958 5.131 -14.015 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.946 5.703 -15.847 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.815 5.564 -17.401 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.322 4.565 -16.054 1.00 0.00 H new ATOM 770 N ARG A 49 -1.736 8.040 -16.963 1.00 0.00 N ATOM 771 CA ARG A 49 -1.806 9.430 -17.400 1.00 0.00 C ATOM 772 C ARG A 49 -2.582 9.534 -18.706 1.00 0.00 C ATOM 773 O ARG A 49 -2.820 10.637 -19.191 1.00 0.00 O ATOM 774 CB ARG A 49 -0.404 9.956 -17.716 1.00 0.00 C ATOM 775 CG ARG A 49 0.568 9.904 -16.545 1.00 0.00 C ATOM 776 CD ARG A 49 0.155 10.893 -15.453 1.00 0.00 C ATOM 777 NE ARG A 49 1.170 10.980 -14.397 1.00 0.00 N ATOM 778 CZ ARG A 49 1.134 10.289 -13.251 1.00 0.00 C ATOM 779 NH1 ARG A 49 0.132 9.452 -12.993 1.00 0.00 N ATOM 780 NH2 ARG A 49 2.107 10.438 -12.355 1.00 0.00 N ATOM 0 H ARG A 49 -1.604 7.390 -17.738 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.282 9.996 -16.599 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.010 9.377 -18.542 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.485 10.987 -18.059 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.598 8.894 -16.135 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.575 10.137 -16.891 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.000 11.878 -15.892 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.796 10.583 -15.021 1.00 0.00 H new ATOM 0 HE ARG A 49 1.958 11.611 -14.546 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.620 9.331 -13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.116 8.931 -12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.879 11.078 -12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.081 9.912 -11.481 1.00 0.00 H new ATOM 794 N TYR A 50 -2.973 8.392 -19.281 1.00 0.00 N ATOM 795 CA TYR A 50 -3.454 8.365 -20.645 1.00 0.00 C ATOM 796 C TYR A 50 -4.430 7.222 -20.917 1.00 0.00 C ATOM 797 O TYR A 50 -4.686 6.900 -22.078 1.00 0.00 O ATOM 798 CB TYR A 50 -2.199 8.265 -21.515 1.00 0.00 C ATOM 799 CG TYR A 50 -1.516 6.910 -21.494 1.00 0.00 C ATOM 800 CD1 TYR A 50 -0.658 6.574 -20.436 1.00 0.00 C ATOM 801 CD2 TYR A 50 -1.741 5.994 -22.532 1.00 0.00 C ATOM 802 CE1 TYR A 50 -0.027 5.324 -20.413 1.00 0.00 C ATOM 803 CE2 TYR A 50 -1.112 4.743 -22.514 1.00 0.00 C ATOM 804 CZ TYR A 50 -0.252 4.401 -21.453 1.00 0.00 C ATOM 805 OH TYR A 50 0.364 3.185 -21.431 1.00 0.00 O ATOM 0 H TYR A 50 -2.962 7.484 -18.817 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.033 9.261 -20.866 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.467 8.505 -22.544 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.485 9.021 -21.187 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.484 7.281 -19.638 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.401 6.254 -23.347 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.633 5.067 -19.597 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.287 4.040 -23.315 1.00 0.00 H new ATOM 0 HH TYR A 50 0.099 2.670 -22.222 1.00 0.00 H new ATOM 815 N THR A 51 -4.974 6.599 -19.867 1.00 0.00 N ATOM 816 CA THR A 51 -5.876 5.460 -19.997 1.00 0.00 C ATOM 817 C THR A 51 -7.059 5.590 -19.036 1.00 0.00 C ATOM 818 O THR A 51 -7.373 6.683 -18.572 1.00 0.00 O ATOM 819 CB THR A 51 -5.129 4.140 -19.759 1.00 0.00 C ATOM 820 OG1 THR A 51 -4.686 4.072 -18.425 1.00 0.00 O ATOM 821 CG2 THR A 51 -3.920 4.002 -20.681 1.00 0.00 C ATOM 0 H THR A 51 -4.798 6.875 -18.901 1.00 0.00 H new ATOM 0 HA THR A 51 -6.263 5.453 -21.016 1.00 0.00 H new ATOM 0 HB THR A 51 -5.826 3.329 -19.971 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.212 3.227 -18.280 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.417 3.055 -20.483 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.250 4.027 -21.720 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.229 4.825 -20.500 1.00 0.00 H new ATOM 828 N LYS A 52 -7.721 4.463 -18.736 1.00 0.00 N ATOM 829 CA LYS A 52 -8.902 4.421 -17.880 1.00 0.00 C ATOM 830 C LYS A 52 -8.713 3.413 -16.743 1.00 0.00 C ATOM 831 O LYS A 52 -9.681 2.872 -16.219 1.00 0.00 O ATOM 832 CB LYS A 52 -10.160 4.098 -18.702 1.00 0.00 C ATOM 833 CG LYS A 52 -10.529 5.188 -19.715 1.00 0.00 C ATOM 834 CD LYS A 52 -9.806 5.026 -21.055 1.00 0.00 C ATOM 835 CE LYS A 52 -10.282 6.114 -22.017 1.00 0.00 C ATOM 836 NZ LYS A 52 -9.606 5.998 -23.325 1.00 0.00 N ATOM 0 H LYS A 52 -7.443 3.547 -19.088 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.036 5.407 -17.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.006 3.158 -19.232 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.999 3.947 -18.022 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.606 5.170 -19.884 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.289 6.164 -19.294 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.728 5.097 -20.911 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.007 4.040 -21.474 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.361 6.037 -22.153 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.084 7.096 -21.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.947 6.748 -23.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.579 6.095 -23.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.816 5.069 -23.743 1.00 0.00 H new ATOM 850 N GLU A 53 -7.457 3.160 -16.368 1.00 0.00 N ATOM 851 CA GLU A 53 -7.106 2.196 -15.332 1.00 0.00 C ATOM 852 C GLU A 53 -5.928 2.724 -14.511 1.00 0.00 C ATOM 853 O GLU A 53 -5.538 3.877 -14.669 1.00 0.00 O ATOM 854 CB GLU A 53 -6.785 0.844 -15.978 1.00 0.00 C ATOM 855 CG GLU A 53 -5.636 0.959 -16.981 1.00 0.00 C ATOM 856 CD GLU A 53 -5.273 -0.399 -17.579 1.00 0.00 C ATOM 857 OE1 GLU A 53 -6.179 -1.041 -18.156 1.00 0.00 O ATOM 858 OE2 GLU A 53 -4.088 -0.788 -17.454 1.00 0.00 O ATOM 0 H GLU A 53 -6.649 3.626 -16.782 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.947 2.055 -14.654 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.522 0.123 -15.204 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.672 0.461 -16.482 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.917 1.645 -17.780 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.763 1.385 -16.487 1.00 0.00 H new ATOM 865 N SER A 54 -5.361 1.889 -13.643 1.00 0.00 N ATOM 866 CA SER A 54 -4.267 2.288 -12.763 1.00 0.00 C ATOM 867 C SER A 54 -3.171 1.227 -12.782 1.00 0.00 C ATOM 868 O SER A 54 -3.386 0.115 -13.259 1.00 0.00 O ATOM 869 CB SER A 54 -4.796 2.458 -11.337 1.00 0.00 C ATOM 870 OG SER A 54 -5.828 3.421 -11.310 1.00 0.00 O ATOM 0 H SER A 54 -5.648 0.917 -13.531 1.00 0.00 H new ATOM 0 HA SER A 54 -3.852 3.234 -13.112 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.169 1.504 -10.964 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.986 2.764 -10.675 1.00 0.00 H new ATOM 0 HG SER A 54 -6.159 3.520 -10.393 1.00 0.00 H new ATOM 876 N ARG A 55 -1.990 1.570 -12.267 1.00 0.00 N ATOM 877 CA ARG A 55 -0.864 0.641 -12.225 1.00 0.00 C ATOM 878 C ARG A 55 -1.109 -0.458 -11.193 1.00 0.00 C ATOM 879 O ARG A 55 -2.089 -0.430 -10.449 1.00 0.00 O ATOM 880 CB ARG A 55 0.431 1.403 -11.930 1.00 0.00 C ATOM 881 CG ARG A 55 0.788 2.403 -13.036 1.00 0.00 C ATOM 882 CD ARG A 55 0.891 1.752 -14.415 1.00 0.00 C ATOM 883 NE ARG A 55 -0.406 1.739 -15.106 1.00 0.00 N ATOM 884 CZ ARG A 55 -0.913 0.711 -15.790 1.00 0.00 C ATOM 885 NH1 ARG A 55 -0.239 -0.431 -15.923 1.00 0.00 N ATOM 886 NH2 ARG A 55 -2.108 0.828 -16.357 1.00 0.00 N ATOM 0 H ARG A 55 -1.789 2.489 -11.872 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.765 0.161 -13.198 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.329 1.934 -10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.248 0.692 -11.810 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.033 3.189 -13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.737 2.882 -12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.620 2.292 -15.019 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.258 0.731 -14.309 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.967 2.589 -15.059 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.683 -0.532 -15.498 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.645 -1.204 -16.450 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.632 1.699 -16.268 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.502 0.047 -16.881 1.00 0.00 H new ATOM 900 N GLY A 56 -0.197 -1.436 -11.148 1.00 0.00 N ATOM 901 CA GLY A 56 -0.308 -2.597 -10.277 1.00 0.00 C ATOM 902 C GLY A 56 0.432 -2.401 -8.956 1.00 0.00 C ATOM 903 O GLY A 56 0.724 -3.373 -8.265 1.00 0.00 O ATOM 0 H GLY A 56 0.645 -1.438 -11.724 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.360 -2.798 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.092 -3.472 -10.789 1.00 0.00 H new ATOM 907 N PHE A 57 0.743 -1.152 -8.596 1.00 0.00 N ATOM 908 CA PHE A 57 1.437 -0.836 -7.359 1.00 0.00 C ATOM 909 C PHE A 57 1.010 0.532 -6.847 1.00 0.00 C ATOM 910 O PHE A 57 0.495 1.361 -7.596 1.00 0.00 O ATOM 911 CB PHE A 57 2.944 -0.866 -7.592 1.00 0.00 C ATOM 912 CG PHE A 57 3.517 0.328 -8.312 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.237 0.558 -9.666 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.339 1.217 -7.608 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.785 1.675 -10.313 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.894 2.329 -8.256 1.00 0.00 C ATOM 917 CZ PHE A 57 4.610 2.563 -9.606 1.00 0.00 C ATOM 0 H PHE A 57 0.517 -0.334 -9.161 1.00 0.00 H new ATOM 0 HA PHE A 57 1.178 -1.581 -6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.441 -0.958 -6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.187 -1.762 -8.162 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.600 -0.124 -10.210 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.546 1.045 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.572 1.852 -11.357 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.540 3.004 -7.714 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.026 3.427 -10.104 1.00 0.00 H new ATOM 927 N ALA A 58 1.241 0.745 -5.552 1.00 0.00 N ATOM 928 CA ALA A 58 0.912 1.974 -4.861 1.00 0.00 C ATOM 929 C ALA A 58 2.196 2.635 -4.386 1.00 0.00 C ATOM 930 O ALA A 58 3.285 2.324 -4.864 1.00 0.00 O ATOM 931 CB ALA A 58 -0.008 1.653 -3.681 1.00 0.00 C ATOM 0 H ALA A 58 1.673 0.046 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 58 0.393 2.662 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.260 2.574 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.920 1.183 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.501 0.973 -2.998 1.00 0.00 H new ATOM 937 N PHE A 59 2.060 3.550 -3.433 1.00 0.00 N ATOM 938 CA PHE A 59 3.168 4.273 -2.857 1.00 0.00 C ATOM 939 C PHE A 59 2.698 4.823 -1.538 1.00 0.00 C ATOM 940 O PHE A 59 2.553 6.033 -1.369 1.00 0.00 O ATOM 941 CB PHE A 59 3.599 5.361 -3.845 1.00 0.00 C ATOM 942 CG PHE A 59 5.088 5.584 -3.947 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.870 5.844 -2.808 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.692 5.528 -5.210 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.250 6.061 -2.945 1.00 0.00 C ATOM 946 CE2 PHE A 59 7.069 5.738 -5.345 1.00 0.00 C ATOM 947 CZ PHE A 59 7.848 6.006 -4.213 1.00 0.00 C ATOM 0 H PHE A 59 1.156 3.809 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 59 4.040 3.645 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.218 5.103 -4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.126 6.300 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.411 5.877 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.092 5.322 -6.084 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.852 6.271 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.530 5.693 -6.321 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.910 6.171 -4.316 1.00 0.00 H new ATOM 957 N VAL A 60 2.450 3.922 -0.580 1.00 0.00 N ATOM 958 CA VAL A 60 2.230 4.484 0.745 1.00 0.00 C ATOM 959 C VAL A 60 3.596 4.896 1.250 1.00 0.00 C ATOM 960 O VAL A 60 4.552 4.142 1.076 1.00 0.00 O ATOM 961 CB VAL A 60 1.509 3.574 1.744 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.462 2.660 1.108 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.426 2.877 2.745 1.00 0.00 C ATOM 0 H VAL A 60 2.400 2.908 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 60 1.539 5.323 0.655 1.00 0.00 H new ATOM 0 HB VAL A 60 0.931 4.263 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.004 2.048 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.300 3.266 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.942 2.014 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.830 2.254 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.142 2.253 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.962 3.625 3.329 1.00 0.00 H new ATOM 973 N ARG A 61 3.690 6.074 1.868 1.00 0.00 N ATOM 974 CA ARG A 61 4.939 6.566 2.412 1.00 0.00 C ATOM 975 C ARG A 61 4.750 7.029 3.830 1.00 0.00 C ATOM 976 O ARG A 61 3.827 7.768 4.166 1.00 0.00 O ATOM 977 CB ARG A 61 5.583 7.605 1.496 1.00 0.00 C ATOM 978 CG ARG A 61 6.496 8.552 2.281 1.00 0.00 C ATOM 979 CD ARG A 61 7.253 9.471 1.316 1.00 0.00 C ATOM 980 NE ARG A 61 8.197 10.330 2.040 1.00 0.00 N ATOM 981 CZ ARG A 61 8.858 11.351 1.487 1.00 0.00 C ATOM 982 NH1 ARG A 61 8.691 11.655 0.201 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.693 12.075 2.224 1.00 0.00 N ATOM 0 H ARG A 61 2.901 6.706 2.001 1.00 0.00 H new ATOM 0 HA ARG A 61 5.656 5.746 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.160 7.101 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.806 8.180 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.904 9.149 2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.203 7.976 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.791 8.870 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.544 10.088 0.764 1.00 0.00 H new ATOM 0 HE ARG A 61 8.359 10.135 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.052 11.106 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.202 12.437 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.828 11.851 3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.199 12.855 1.804 1.00 0.00 H new ATOM 997 N PHE A 62 5.686 6.556 4.649 1.00 0.00 N ATOM 998 CA PHE A 62 5.646 6.858 6.065 1.00 0.00 C ATOM 999 C PHE A 62 6.681 7.920 6.370 1.00 0.00 C ATOM 1000 O PHE A 62 7.742 7.940 5.754 1.00 0.00 O ATOM 1001 CB PHE A 62 5.885 5.597 6.884 1.00 0.00 C ATOM 1002 CG PHE A 62 4.641 4.755 7.061 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.722 4.580 6.012 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.406 4.157 8.301 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.561 3.821 6.201 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.259 3.382 8.497 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.345 3.213 7.450 1.00 0.00 C ATOM 0 H PHE A 62 6.468 5.971 4.356 1.00 0.00 H new ATOM 0 HA PHE A 62 4.661 7.238 6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.655 4.997 6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.269 5.876 7.865 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.913 5.035 5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.110 4.293 9.108 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.844 3.705 5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.078 2.915 9.454 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.463 2.608 7.604 1.00 0.00 H new ATOM 1017 N HIS A 63 6.329 8.781 7.324 1.00 0.00 N ATOM 1018 CA HIS A 63 7.120 9.916 7.773 1.00 0.00 C ATOM 1019 C HIS A 63 7.977 9.533 8.977 1.00 0.00 C ATOM 1020 O HIS A 63 8.784 10.336 9.443 1.00 0.00 O ATOM 1021 CB HIS A 63 6.138 11.029 8.167 1.00 0.00 C ATOM 1022 CG HIS A 63 5.096 10.555 9.153 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.287 9.542 10.098 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.815 11.022 9.265 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.121 9.423 10.743 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.221 10.306 10.276 1.00 0.00 N ATOM 0 H HIS A 63 5.444 8.699 7.825 1.00 0.00 H new ATOM 0 HA HIS A 63 7.790 10.246 6.979 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.692 11.862 8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.643 11.406 7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.359 11.802 8.673 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.928 8.713 11.533 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.265 10.424 10.613 1.00 0.00 H new ATOM 1034 N ASP A 64 7.806 8.308 9.484 1.00 0.00 N ATOM 1035 CA ASP A 64 8.497 7.833 10.667 1.00 0.00 C ATOM 1036 C ASP A 64 8.742 6.338 10.517 1.00 0.00 C ATOM 1037 O ASP A 64 7.808 5.535 10.480 1.00 0.00 O ATOM 1038 CB ASP A 64 7.648 8.140 11.902 1.00 0.00 C ATOM 1039 CG ASP A 64 8.379 7.797 13.200 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.342 7.000 13.139 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.967 8.339 14.250 1.00 0.00 O ATOM 0 H ASP A 64 7.176 7.618 9.074 1.00 0.00 H new ATOM 0 HA ASP A 64 9.458 8.334 10.785 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.381 9.197 11.905 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.717 7.576 11.851 1.00 0.00 H new ATOM 1046 N LYS A 65 10.021 5.969 10.432 1.00 0.00 N ATOM 1047 CA LYS A 65 10.459 4.594 10.252 1.00 0.00 C ATOM 1048 C LYS A 65 9.948 3.662 11.345 1.00 0.00 C ATOM 1049 O LYS A 65 9.841 2.467 11.102 1.00 0.00 O ATOM 1050 CB LYS A 65 11.984 4.557 10.189 1.00 0.00 C ATOM 1051 CG LYS A 65 12.623 4.864 11.549 1.00 0.00 C ATOM 1052 CD LYS A 65 14.072 5.322 11.369 1.00 0.00 C ATOM 1053 CE LYS A 65 14.910 4.280 10.627 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.273 4.794 10.380 1.00 0.00 N ATOM 0 H LYS A 65 10.792 6.634 10.488 1.00 0.00 H new ATOM 0 HA LYS A 65 10.035 4.231 9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.309 3.574 9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.334 5.280 9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.051 5.639 12.059 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.592 3.976 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.090 6.262 10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.516 5.516 12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.962 3.362 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.433 4.028 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.863 4.035 9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.229 5.586 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.688 5.123 11.275 1.00 0.00 H new ATOM 1068 N ARG A 66 9.627 4.180 12.533 1.00 0.00 N ATOM 1069 CA ARG A 66 9.174 3.334 13.625 1.00 0.00 C ATOM 1070 C ARG A 66 7.771 2.807 13.330 1.00 0.00 C ATOM 1071 O ARG A 66 7.505 1.615 13.493 1.00 0.00 O ATOM 1072 CB ARG A 66 9.191 4.150 14.925 1.00 0.00 C ATOM 1073 CG ARG A 66 10.581 4.723 15.229 1.00 0.00 C ATOM 1074 CD ARG A 66 11.660 3.640 15.269 1.00 0.00 C ATOM 1075 NE ARG A 66 12.967 4.226 15.589 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.139 3.714 15.198 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.188 2.590 14.491 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.270 4.335 15.515 1.00 0.00 N ATOM 0 H ARG A 66 9.674 5.174 12.756 1.00 0.00 H new ATOM 0 HA ARG A 66 9.839 2.477 13.734 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.472 4.966 14.850 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.871 3.518 15.753 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.840 5.463 14.472 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.556 5.243 16.187 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.400 2.888 16.014 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.709 3.132 14.306 1.00 0.00 H new ATOM 0 HE ARG A 66 12.983 5.080 16.146 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.325 2.107 14.240 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.088 2.210 14.199 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.243 5.200 16.055 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.165 3.947 15.218 1.00 0.00 H new ATOM 1092 N ASP A 67 6.878 3.692 12.895 1.00 0.00 N ATOM 1093 CA ASP A 67 5.529 3.291 12.524 1.00 0.00 C ATOM 1094 C ASP A 67 5.595 2.430 11.268 1.00 0.00 C ATOM 1095 O ASP A 67 4.735 1.575 11.059 1.00 0.00 O ATOM 1096 CB ASP A 67 4.665 4.524 12.263 1.00 0.00 C ATOM 1097 CG ASP A 67 4.503 5.385 13.510 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.347 4.798 14.604 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.536 6.627 13.365 1.00 0.00 O ATOM 0 H ASP A 67 7.066 4.689 12.792 1.00 0.00 H new ATOM 0 HA ASP A 67 5.083 2.721 13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.114 5.119 11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.683 4.210 11.910 1.00 0.00 H new ATOM 1104 N ALA A 68 6.615 2.655 10.435 1.00 0.00 N ATOM 1105 CA ALA A 68 6.792 1.895 9.214 1.00 0.00 C ATOM 1106 C ALA A 68 7.373 0.513 9.497 1.00 0.00 C ATOM 1107 O ALA A 68 7.059 -0.434 8.781 1.00 0.00 O ATOM 1108 CB ALA A 68 7.734 2.679 8.310 1.00 0.00 C ATOM 0 H ALA A 68 7.330 3.364 10.594 1.00 0.00 H new ATOM 0 HA ALA A 68 5.824 1.748 8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.887 2.130 7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.299 3.654 8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.692 2.815 8.813 1.00 0.00 H new ATOM 1114 N GLU A 69 8.211 0.381 10.528 1.00 0.00 N ATOM 1115 CA GLU A 69 8.796 -0.892 10.910 1.00 0.00 C ATOM 1116 C GLU A 69 7.716 -1.901 11.259 1.00 0.00 C ATOM 1117 O GLU A 69 7.726 -3.015 10.739 1.00 0.00 O ATOM 1118 CB GLU A 69 9.692 -0.704 12.134 1.00 0.00 C ATOM 1119 CG GLU A 69 11.123 -0.369 11.723 1.00 0.00 C ATOM 1120 CD GLU A 69 12.010 -0.192 12.955 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.386 -1.228 13.546 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.302 0.977 13.295 1.00 0.00 O ATOM 0 H GLU A 69 8.499 1.161 11.119 1.00 0.00 H new ATOM 0 HA GLU A 69 9.377 -1.261 10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.294 0.095 12.760 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.687 -1.613 12.735 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.521 -1.164 11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.132 0.544 11.128 1.00 0.00 H new ATOM 1129 N ASP A 70 6.782 -1.519 12.133 1.00 0.00 N ATOM 1130 CA ASP A 70 5.781 -2.480 12.569 1.00 0.00 C ATOM 1131 C ASP A 70 4.794 -2.793 11.449 1.00 0.00 C ATOM 1132 O ASP A 70 4.453 -3.956 11.229 1.00 0.00 O ATOM 1133 CB ASP A 70 5.041 -1.936 13.791 1.00 0.00 C ATOM 1134 CG ASP A 70 5.988 -1.611 14.944 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.818 -2.489 15.281 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.876 -0.485 15.477 1.00 0.00 O ATOM 0 H ASP A 70 6.702 -0.586 12.537 1.00 0.00 H new ATOM 0 HA ASP A 70 6.287 -3.407 12.837 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.492 -1.037 13.510 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.305 -2.668 14.123 1.00 0.00 H new ATOM 1141 N ALA A 71 4.333 -1.764 10.730 1.00 0.00 N ATOM 1142 CA ALA A 71 3.387 -1.956 9.646 1.00 0.00 C ATOM 1143 C ALA A 71 3.985 -2.871 8.585 1.00 0.00 C ATOM 1144 O ALA A 71 3.323 -3.797 8.131 1.00 0.00 O ATOM 1145 CB ALA A 71 3.017 -0.602 9.044 1.00 0.00 C ATOM 0 H ALA A 71 4.605 -0.793 10.886 1.00 0.00 H new ATOM 0 HA ALA A 71 2.484 -2.427 10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.307 -0.748 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.566 0.026 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.914 -0.117 8.660 1.00 0.00 H new ATOM 1151 N MET A 72 5.237 -2.624 8.190 1.00 0.00 N ATOM 1152 CA MET A 72 5.913 -3.427 7.185 1.00 0.00 C ATOM 1153 C MET A 72 6.094 -4.860 7.674 1.00 0.00 C ATOM 1154 O MET A 72 5.884 -5.809 6.914 1.00 0.00 O ATOM 1155 CB MET A 72 7.267 -2.772 6.912 1.00 0.00 C ATOM 1156 CG MET A 72 8.195 -3.651 6.075 1.00 0.00 C ATOM 1157 SD MET A 72 9.563 -2.739 5.314 1.00 0.00 S ATOM 1158 CE MET A 72 10.066 -1.696 6.705 1.00 0.00 C ATOM 0 H MET A 72 5.804 -1.862 8.561 1.00 0.00 H new ATOM 0 HA MET A 72 5.322 -3.472 6.271 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.109 -1.825 6.396 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.751 -2.542 7.861 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.602 -4.440 6.707 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.613 -4.137 5.292 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.064 -1.298 6.519 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.362 -0.872 6.815 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.076 -2.289 7.619 1.00 0.00 H new ATOM 1168 N ASP A 73 6.484 -5.027 8.943 1.00 0.00 N ATOM 1169 CA ASP A 73 6.660 -6.343 9.539 1.00 0.00 C ATOM 1170 C ASP A 73 5.309 -7.037 9.760 1.00 0.00 C ATOM 1171 O ASP A 73 5.271 -8.183 10.212 1.00 0.00 O ATOM 1172 CB ASP A 73 7.417 -6.187 10.859 1.00 0.00 C ATOM 1173 CG ASP A 73 7.795 -7.541 11.463 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.489 -8.310 10.763 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.391 -7.796 12.618 1.00 0.00 O ATOM 0 H ASP A 73 6.684 -4.254 9.577 1.00 0.00 H new ATOM 0 HA ASP A 73 7.235 -6.973 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.320 -5.599 10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.801 -5.633 11.567 1.00 0.00 H new ATOM 1180 N ALA A 74 4.200 -6.361 9.446 1.00 0.00 N ATOM 1181 CA ALA A 74 2.864 -6.904 9.613 1.00 0.00 C ATOM 1182 C ALA A 74 2.011 -6.746 8.351 1.00 0.00 C ATOM 1183 O ALA A 74 0.814 -7.032 8.388 1.00 0.00 O ATOM 1184 CB ALA A 74 2.216 -6.203 10.806 1.00 0.00 C ATOM 0 H ALA A 74 4.213 -5.414 9.066 1.00 0.00 H new ATOM 0 HA ALA A 74 2.934 -7.977 9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.209 -6.593 10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.811 -6.384 11.701 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.165 -5.131 10.615 1.00 0.00 H new ATOM 1190 N MET A 75 2.605 -6.299 7.239 1.00 0.00 N ATOM 1191 CA MET A 75 1.874 -6.086 5.996 1.00 0.00 C ATOM 1192 C MET A 75 2.579 -6.650 4.766 1.00 0.00 C ATOM 1193 O MET A 75 1.930 -6.810 3.735 1.00 0.00 O ATOM 1194 CB MET A 75 1.624 -4.594 5.783 1.00 0.00 C ATOM 1195 CG MET A 75 0.458 -4.100 6.642 1.00 0.00 C ATOM 1196 SD MET A 75 -1.124 -4.894 6.245 1.00 0.00 S ATOM 1197 CE MET A 75 -1.100 -4.716 4.444 1.00 0.00 C ATOM 0 H MET A 75 3.599 -6.078 7.180 1.00 0.00 H new ATOM 0 HA MET A 75 0.934 -6.627 6.105 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.525 -4.033 6.031 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.410 -4.405 4.731 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.691 -4.277 7.692 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.356 -3.022 6.516 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.089 -4.937 4.043 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.822 -3.695 4.183 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.374 -5.409 4.020 1.00 0.00 H new ATOM 1207 N ASP A 76 3.874 -6.961 4.826 1.00 0.00 N ATOM 1208 CA ASP A 76 4.527 -7.548 3.667 1.00 0.00 C ATOM 1209 C ASP A 76 3.938 -8.930 3.363 1.00 0.00 C ATOM 1210 O ASP A 76 3.945 -9.814 4.220 1.00 0.00 O ATOM 1211 CB ASP A 76 6.034 -7.627 3.907 1.00 0.00 C ATOM 1212 CG ASP A 76 6.762 -8.088 2.647 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.643 -7.375 1.624 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.429 -9.144 2.716 1.00 0.00 O ATOM 0 H ASP A 76 4.472 -6.820 5.640 1.00 0.00 H new ATOM 0 HA ASP A 76 4.351 -6.915 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.410 -6.650 4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.241 -8.318 4.725 1.00 0.00 H new ATOM 1219 N GLY A 77 3.429 -9.111 2.141 1.00 0.00 N ATOM 1220 CA GLY A 77 2.822 -10.359 1.698 1.00 0.00 C ATOM 1221 C GLY A 77 1.583 -10.703 2.517 1.00 0.00 C ATOM 1222 O GLY A 77 1.290 -11.878 2.742 1.00 0.00 O ATOM 0 H GLY A 77 3.429 -8.383 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.552 -10.279 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.549 -11.167 1.780 1.00 0.00 H new ATOM 1226 N ALA A 78 0.852 -9.675 2.958 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.297 -9.826 3.846 1.00 0.00 C ATOM 1228 C ALA A 78 -1.616 -9.998 3.094 1.00 0.00 C ATOM 1229 O ALA A 78 -2.669 -10.047 3.725 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.345 -8.620 4.781 1.00 0.00 C ATOM 0 H ALA A 78 1.046 -8.706 2.704 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.170 -10.744 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.198 -8.714 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.574 -8.576 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.446 -7.708 4.193 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.562 -10.083 1.756 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.718 -10.282 0.879 1.00 0.00 C ATOM 1238 C VAL A 79 -3.970 -9.566 1.392 1.00 0.00 C ATOM 1239 O VAL A 79 -4.909 -10.159 1.923 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.893 -11.764 0.500 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.572 -12.718 1.640 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.261 -12.056 -0.090 1.00 0.00 C ATOM 0 H VAL A 79 -0.684 -10.013 1.242 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.521 -9.786 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.153 -11.947 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.716 -13.746 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.536 -12.579 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.234 -12.514 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.331 -13.115 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.032 -11.803 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.403 -11.460 -0.992 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.947 -8.243 1.206 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.022 -7.327 1.532 1.00 0.00 C ATOM 1254 C LEU A 80 -6.348 -7.677 0.842 1.00 0.00 C ATOM 1255 O LEU A 80 -7.409 -7.369 1.386 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.483 -5.956 1.115 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.425 -4.767 1.281 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.538 -3.529 1.282 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.375 -4.654 0.092 1.00 0.00 C ATOM 0 H LEU A 80 -3.138 -7.769 0.805 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.279 -7.367 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.579 -5.757 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.187 -6.011 0.067 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.016 -4.877 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.156 -2.639 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.830 -3.590 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.992 -3.472 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.036 -3.799 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.798 -4.518 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.970 -5.564 0.014 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.310 -8.313 -0.336 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.524 -8.603 -1.099 1.00 0.00 C ATOM 1273 C ASP A 81 -7.534 -10.030 -1.636 1.00 0.00 C ATOM 1274 O ASP A 81 -8.557 -10.709 -1.565 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.629 -7.600 -2.249 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.872 -7.836 -3.103 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -8.804 -8.712 -3.995 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -9.883 -7.139 -2.863 1.00 0.00 O ATOM 0 H ASP A 81 -5.450 -8.635 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.384 -8.510 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.653 -6.588 -1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.740 -7.672 -2.875 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.400 -10.488 -2.176 1.00 0.00 N ATOM 1284 CA GLY A 82 -6.261 -11.861 -2.655 1.00 0.00 C ATOM 1285 C GLY A 82 -5.107 -12.027 -3.630 1.00 0.00 C ATOM 1286 O GLY A 82 -5.194 -12.828 -4.562 1.00 0.00 O ATOM 0 H GLY A 82 -5.561 -9.920 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.111 -12.525 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.188 -12.168 -3.139 1.00 0.00 H new ATOM 1290 N ARG A 83 -4.026 -11.271 -3.417 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.821 -11.364 -4.228 1.00 0.00 C ATOM 1292 C ARG A 83 -1.594 -11.484 -3.337 1.00 0.00 C ATOM 1293 O ARG A 83 -0.805 -12.404 -3.548 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.734 -10.153 -5.172 1.00 0.00 C ATOM 1295 CG ARG A 83 -3.109 -8.845 -4.463 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.604 -7.611 -5.205 1.00 0.00 C ATOM 1297 NE ARG A 83 -2.512 -6.470 -4.287 1.00 0.00 N ATOM 1298 CZ ARG A 83 -3.546 -5.856 -3.713 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -4.795 -6.262 -3.929 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.333 -4.819 -2.909 1.00 0.00 N ATOM 0 H ARG A 83 -3.968 -10.576 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.862 -12.263 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.722 -10.074 -5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.398 -10.308 -6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.193 -8.787 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.697 -8.852 -3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.627 -7.815 -5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.277 -7.372 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.580 -6.118 -4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.974 -7.056 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.573 -5.779 -3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.381 -4.497 -2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.121 -4.346 -2.467 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.469 -10.562 -2.371 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.352 -10.294 -1.479 1.00 0.00 C ATOM 1316 C GLU A 84 -0.160 -8.784 -1.435 1.00 0.00 C ATOM 1317 O GLU A 84 -0.749 -8.052 -2.225 1.00 0.00 O ATOM 1318 CB GLU A 84 0.927 -11.004 -1.909 1.00 0.00 C ATOM 1319 CG GLU A 84 1.061 -12.299 -1.107 1.00 0.00 C ATOM 1320 CD GLU A 84 2.113 -13.226 -1.705 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.293 -12.809 -1.746 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.736 -14.343 -2.119 1.00 0.00 O ATOM 0 H GLU A 84 -2.239 -9.920 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.577 -10.685 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.898 -11.222 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.791 -10.362 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.327 -12.063 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.099 -12.811 -1.078 1.00 0.00 H new ATOM 1329 N LEU A 85 0.672 -8.319 -0.512 1.00 0.00 N ATOM 1330 CA LEU A 85 1.069 -6.931 -0.435 1.00 0.00 C ATOM 1331 C LEU A 85 2.592 -6.896 -0.439 1.00 0.00 C ATOM 1332 O LEU A 85 3.229 -7.932 -0.272 1.00 0.00 O ATOM 1333 CB LEU A 85 0.460 -6.329 0.839 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.251 -4.988 0.643 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.713 -3.904 0.181 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.377 -5.114 -0.384 1.00 0.00 C ATOM 0 H LEU A 85 1.091 -8.906 0.209 1.00 0.00 H new ATOM 0 HA LEU A 85 0.712 -6.338 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.250 -7.042 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.252 -6.199 1.576 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.664 -4.706 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.172 -2.967 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.496 -3.772 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.162 -4.197 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.868 -4.148 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.963 -5.435 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.104 -5.849 -0.039 1.00 0.00 H new ATOM 1348 N ARG A 86 3.186 -5.722 -0.624 1.00 0.00 N ATOM 1349 CA ARG A 86 4.630 -5.570 -0.608 1.00 0.00 C ATOM 1350 C ARG A 86 4.963 -4.297 0.141 1.00 0.00 C ATOM 1351 O ARG A 86 4.403 -3.239 -0.147 1.00 0.00 O ATOM 1352 CB ARG A 86 5.174 -5.481 -2.036 1.00 0.00 C ATOM 1353 CG ARG A 86 4.972 -6.775 -2.827 1.00 0.00 C ATOM 1354 CD ARG A 86 5.753 -7.915 -2.177 1.00 0.00 C ATOM 1355 NE ARG A 86 5.687 -9.137 -2.986 1.00 0.00 N ATOM 1356 CZ ARG A 86 5.052 -10.252 -2.617 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.402 -10.316 -1.459 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.060 -11.321 -3.404 1.00 0.00 N ATOM 0 H ARG A 86 2.678 -4.853 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 86 5.085 -6.432 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.681 -4.661 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.237 -5.244 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.912 -7.025 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.304 -6.637 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.794 -7.618 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.352 -8.113 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 86 6.158 -9.135 -3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.384 -9.506 -0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.921 -11.175 -1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.553 -11.294 -4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.573 -12.170 -3.116 1.00 0.00 H new ATOM 1372 N VAL A 87 5.877 -4.401 1.099 1.00 0.00 N ATOM 1373 CA VAL A 87 6.236 -3.262 1.914 1.00 0.00 C ATOM 1374 C VAL A 87 7.743 -3.211 2.099 1.00 0.00 C ATOM 1375 O VAL A 87 8.382 -4.224 2.385 1.00 0.00 O ATOM 1376 CB VAL A 87 5.515 -3.354 3.259 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.712 -2.032 3.993 1.00 0.00 C ATOM 1378 CG2 VAL A 87 4.031 -3.682 3.104 1.00 0.00 C ATOM 0 H VAL A 87 6.377 -5.261 1.325 1.00 0.00 H new ATOM 0 HA VAL A 87 5.928 -2.341 1.419 1.00 0.00 H new ATOM 0 HB VAL A 87 5.942 -4.175 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.206 -2.072 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.777 -1.857 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.294 -1.220 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.566 -3.736 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.546 -2.903 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.921 -4.641 2.598 1.00 0.00 H new ATOM 1388 N GLN A 88 8.296 -2.011 1.929 1.00 0.00 N ATOM 1389 CA GLN A 88 9.726 -1.778 1.984 1.00 0.00 C ATOM 1390 C GLN A 88 10.010 -0.283 2.079 1.00 0.00 C ATOM 1391 O GLN A 88 9.235 0.542 1.606 1.00 0.00 O ATOM 1392 CB GLN A 88 10.383 -2.345 0.723 1.00 0.00 C ATOM 1393 CG GLN A 88 9.668 -1.878 -0.548 1.00 0.00 C ATOM 1394 CD GLN A 88 10.396 -2.318 -1.813 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.608 -2.521 -1.807 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.663 -2.474 -2.916 1.00 0.00 N ATOM 0 H GLN A 88 7.751 -1.168 1.747 1.00 0.00 H new ATOM 0 HA GLN A 88 10.135 -2.273 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.428 -2.036 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.374 -3.434 0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.653 -2.275 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.585 -0.791 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.659 -2.298 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.107 -2.769 -3.786 1.00 0.00 H new ATOM 1405 N MET A 89 11.134 0.072 2.700 1.00 0.00 N ATOM 1406 CA MET A 89 11.602 1.445 2.771 1.00 0.00 C ATOM 1407 C MET A 89 11.669 2.057 1.371 1.00 0.00 C ATOM 1408 O MET A 89 12.083 1.401 0.415 1.00 0.00 O ATOM 1409 CB MET A 89 12.966 1.454 3.457 1.00 0.00 C ATOM 1410 CG MET A 89 12.757 1.113 4.930 1.00 0.00 C ATOM 1411 SD MET A 89 12.148 2.508 5.908 1.00 0.00 S ATOM 1412 CE MET A 89 11.440 1.601 7.302 1.00 0.00 C ATOM 0 H MET A 89 11.746 -0.595 3.170 1.00 0.00 H new ATOM 0 HA MET A 89 10.909 2.053 3.352 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.632 0.729 2.989 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.437 2.432 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.050 0.287 5.008 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.700 0.766 5.353 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.306 2.278 8.146 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.475 1.185 7.013 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.112 0.792 7.589 1.00 0.00 H new ATOM 1422 N ALA A 90 11.255 3.323 1.255 1.00 0.00 N ATOM 1423 CA ALA A 90 11.197 4.037 -0.012 1.00 0.00 C ATOM 1424 C ALA A 90 12.576 4.494 -0.487 1.00 0.00 C ATOM 1425 O ALA A 90 12.668 5.180 -1.503 1.00 0.00 O ATOM 1426 CB ALA A 90 10.247 5.226 0.146 1.00 0.00 C ATOM 0 H ALA A 90 10.948 3.882 2.051 1.00 0.00 H new ATOM 0 HA ALA A 90 10.825 3.359 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.190 5.774 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.254 4.865 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.618 5.887 0.929 1.00 0.00 H new ATOM 1432 N ARG A 91 13.645 4.123 0.228 1.00 0.00 N ATOM 1433 CA ARG A 91 15.010 4.535 -0.088 1.00 0.00 C ATOM 1434 C ARG A 91 15.217 6.038 0.133 1.00 0.00 C ATOM 1435 O ARG A 91 16.165 6.623 -0.392 1.00 0.00 O ATOM 1436 CB ARG A 91 15.387 4.067 -1.500 1.00 0.00 C ATOM 1437 CG ARG A 91 16.894 4.163 -1.762 1.00 0.00 C ATOM 1438 CD ARG A 91 17.156 5.159 -2.894 1.00 0.00 C ATOM 1439 NE ARG A 91 18.594 5.363 -3.105 1.00 0.00 N ATOM 1440 CZ ARG A 91 19.345 6.206 -2.389 1.00 0.00 C ATOM 1441 NH1 ARG A 91 18.815 6.923 -1.402 1.00 0.00 N ATOM 1442 NH2 ARG A 91 20.642 6.329 -2.659 1.00 0.00 N ATOM 0 H ARG A 91 13.582 3.522 1.050 1.00 0.00 H new ATOM 0 HA ARG A 91 15.696 4.048 0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.062 3.036 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.854 4.670 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.411 4.482 -0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 91 17.290 3.183 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 91 16.700 4.795 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 91 16.682 6.112 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 91 19.049 4.828 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 91 17.823 6.834 -1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 91 19.401 7.562 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.061 5.781 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 91 21.218 6.971 -2.115 1.00 0.00 H new ATOM 1456 N TYR A 92 14.333 6.668 0.913 1.00 0.00 N ATOM 1457 CA TYR A 92 14.415 8.082 1.234 1.00 0.00 C ATOM 1458 C TYR A 92 14.271 8.251 2.746 1.00 0.00 C ATOM 1459 O TYR A 92 13.898 7.303 3.437 1.00 0.00 O ATOM 1460 CB TYR A 92 13.296 8.838 0.514 1.00 0.00 C ATOM 1461 CG TYR A 92 13.088 8.460 -0.936 1.00 0.00 C ATOM 1462 CD1 TYR A 92 14.141 8.582 -1.857 1.00 0.00 C ATOM 1463 CD2 TYR A 92 11.838 7.980 -1.353 1.00 0.00 C ATOM 1464 CE1 TYR A 92 13.938 8.225 -3.198 1.00 0.00 C ATOM 1465 CE2 TYR A 92 11.634 7.601 -2.687 1.00 0.00 C ATOM 1466 CZ TYR A 92 12.686 7.730 -3.617 1.00 0.00 C ATOM 1467 OH TYR A 92 12.488 7.380 -4.919 1.00 0.00 O ATOM 0 H TYR A 92 13.535 6.199 1.340 1.00 0.00 H new ATOM 0 HA TYR A 92 15.375 8.484 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.363 8.672 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.509 9.906 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 92 15.104 8.949 -1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.028 7.902 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.742 8.329 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.676 7.212 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 92 11.570 7.058 -5.035 1.00 0.00 H new ATOM 1477 N GLY A 93 14.563 9.441 3.276 1.00 0.00 N ATOM 1478 CA GLY A 93 14.384 9.685 4.699 1.00 0.00 C ATOM 1479 C GLY A 93 15.209 10.857 5.216 1.00 0.00 C ATOM 1480 O GLY A 93 15.896 11.535 4.453 1.00 0.00 O ATOM 0 H GLY A 93 14.919 10.237 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.329 9.876 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.656 8.786 5.252 1.00 0.00 H new ATOM 1484 N ARG A 94 15.127 11.078 6.530 1.00 0.00 N ATOM 1485 CA ARG A 94 15.865 12.103 7.259 1.00 0.00 C ATOM 1486 C ARG A 94 16.215 11.544 8.642 1.00 0.00 C ATOM 1487 O ARG A 94 15.545 10.628 9.114 1.00 0.00 O ATOM 1488 CB ARG A 94 14.983 13.353 7.411 1.00 0.00 C ATOM 1489 CG ARG A 94 14.743 14.092 6.090 1.00 0.00 C ATOM 1490 CD ARG A 94 16.053 14.633 5.511 1.00 0.00 C ATOM 1491 NE ARG A 94 15.801 15.513 4.364 1.00 0.00 N ATOM 1492 CZ ARG A 94 15.670 15.100 3.098 1.00 0.00 C ATOM 1493 NH1 ARG A 94 15.758 13.811 2.784 1.00 0.00 N ATOM 1494 NH2 ARG A 94 15.447 15.985 2.133 1.00 0.00 N ATOM 0 H ARG A 94 14.520 10.525 7.135 1.00 0.00 H new ATOM 0 HA ARG A 94 16.774 12.375 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 94 14.022 13.061 7.836 1.00 0.00 H new ATOM 0 HB3 ARG A 94 15.451 14.035 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 94 14.277 13.417 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 94 14.047 14.915 6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 94 16.596 15.181 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 94 16.688 13.803 5.203 1.00 0.00 H new ATOM 0 HE ARG A 94 15.720 16.513 4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.928 13.119 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.656 13.514 1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.376 16.977 2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.347 15.672 1.167 1.00 0.00 H new ATOM 1508 N PRO A 95 17.252 12.079 9.303 1.00 0.00 N ATOM 1509 CA PRO A 95 17.677 11.628 10.619 1.00 0.00 C ATOM 1510 C PRO A 95 16.640 11.990 11.681 1.00 0.00 C ATOM 1511 O PRO A 95 15.835 12.899 11.482 1.00 0.00 O ATOM 1512 CB PRO A 95 19.009 12.332 10.871 1.00 0.00 C ATOM 1513 CG PRO A 95 18.904 13.611 10.044 1.00 0.00 C ATOM 1514 CD PRO A 95 18.100 13.158 8.825 1.00 0.00 C ATOM 0 HA PRO A 95 17.783 10.544 10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 95 19.153 12.550 11.929 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.852 11.718 10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.397 14.406 10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 95 19.885 13.993 9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 95 17.504 13.976 8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.757 12.817 8.025 1.00 0.00 H new ATOM 1522 N PRO A 96 16.654 11.282 12.819 1.00 0.00 N ATOM 1523 CA PRO A 96 15.732 11.504 13.925 1.00 0.00 C ATOM 1524 C PRO A 96 16.068 12.774 14.712 1.00 0.00 C ATOM 1525 O PRO A 96 15.337 13.134 15.631 1.00 0.00 O ATOM 1526 CB PRO A 96 15.878 10.262 14.802 1.00 0.00 C ATOM 1527 CG PRO A 96 17.331 9.852 14.580 1.00 0.00 C ATOM 1528 CD PRO A 96 17.570 10.194 13.113 1.00 0.00 C ATOM 0 HA PRO A 96 14.712 11.651 13.571 1.00 0.00 H new ATOM 0 HB2 PRO A 96 15.677 10.483 15.850 1.00 0.00 H new ATOM 0 HB3 PRO A 96 15.186 9.474 14.504 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.008 10.399 15.236 1.00 0.00 H new ATOM 0 HG3 PRO A 96 17.484 8.791 14.776 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.604 10.493 12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.377 9.334 12.472 1.00 0.00 H new ATOM 1536 N ASP A 97 17.169 13.449 14.356 1.00 0.00 N ATOM 1537 CA ASP A 97 17.635 14.663 15.023 1.00 0.00 C ATOM 1538 C ASP A 97 17.784 14.496 16.543 1.00 0.00 C ATOM 1539 O ASP A 97 17.790 15.477 17.284 1.00 0.00 O ATOM 1540 CB ASP A 97 16.725 15.834 14.633 1.00 0.00 C ATOM 1541 CG ASP A 97 17.312 17.181 15.051 1.00 0.00 C ATOM 1542 OD1 ASP A 97 18.501 17.419 14.743 1.00 0.00 O ATOM 1543 OD2 ASP A 97 16.564 17.968 15.673 1.00 0.00 O ATOM 0 H ASP A 97 17.768 13.159 13.583 1.00 0.00 H new ATOM 0 HA ASP A 97 18.646 14.881 14.678 1.00 0.00 H new ATOM 0 HB2 ASP A 97 16.567 15.827 13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.748 15.704 15.099 1.00 0.00 H new ATOM 1548 N SER A 98 17.909 13.251 17.017 1.00 0.00 N ATOM 1549 CA SER A 98 18.086 12.966 18.438 1.00 0.00 C ATOM 1550 C SER A 98 18.929 11.714 18.664 1.00 0.00 C ATOM 1551 O SER A 98 19.418 11.500 19.773 1.00 0.00 O ATOM 1552 CB SER A 98 16.717 12.768 19.086 1.00 0.00 C ATOM 1553 OG SER A 98 16.097 11.624 18.535 1.00 0.00 O ATOM 0 H SER A 98 17.890 12.419 16.427 1.00 0.00 H new ATOM 0 HA SER A 98 18.607 13.812 18.887 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.826 12.652 20.164 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.094 13.647 18.922 1.00 0.00 H new ATOM 0 HG SER A 98 15.772 11.830 17.634 1.00 0.00 H new ATOM 1559 N HIS A 99 19.100 10.895 17.619 1.00 0.00 N ATOM 1560 CA HIS A 99 19.859 9.649 17.663 1.00 0.00 C ATOM 1561 C HIS A 99 19.535 8.797 18.894 1.00 0.00 C ATOM 1562 O HIS A 99 20.397 8.066 19.380 1.00 0.00 O ATOM 1563 CB HIS A 99 21.349 9.964 17.544 1.00 0.00 C ATOM 1564 CG HIS A 99 21.672 10.773 16.313 1.00 0.00 C ATOM 1565 ND1 HIS A 99 21.278 10.448 15.012 1.00 0.00 N ATOM 1566 CD2 HIS A 99 22.387 11.934 16.293 1.00 0.00 C ATOM 1567 CE1 HIS A 99 21.770 11.432 14.238 1.00 0.00 C ATOM 1568 NE2 HIS A 99 22.436 12.336 14.978 1.00 0.00 N ATOM 0 H HIS A 99 18.703 11.089 16.700 1.00 0.00 H new ATOM 0 HA HIS A 99 19.561 9.034 16.814 1.00 0.00 H new ATOM 0 HB2 HIS A 99 21.673 10.511 18.429 1.00 0.00 H new ATOM 0 HB3 HIS A 99 21.913 9.032 17.521 1.00 0.00 H new ATOM 0 HD2 HIS A 99 22.827 12.438 17.141 1.00 0.00 H new ATOM 0 HE1 HIS A 99 21.647 11.488 13.167 1.00 0.00 H new ATOM 0 HE2 HIS A 99 22.898 13.175 14.626 1.00 0.00 H new ATOM 1576 N HIS A 100 18.302 8.888 19.402 1.00 0.00 N ATOM 1577 CA HIS A 100 17.885 8.181 20.604 1.00 0.00 C ATOM 1578 C HIS A 100 16.432 7.697 20.502 1.00 0.00 C ATOM 1579 O HIS A 100 15.839 7.280 21.497 1.00 0.00 O ATOM 1580 CB HIS A 100 18.086 9.106 21.805 1.00 0.00 C ATOM 1581 CG HIS A 100 17.912 8.416 23.130 1.00 0.00 C ATOM 1582 ND1 HIS A 100 18.661 7.320 23.575 1.00 0.00 N ATOM 1583 CD2 HIS A 100 17.009 8.763 24.095 1.00 0.00 C ATOM 1584 CE1 HIS A 100 18.181 7.031 24.795 1.00 0.00 C ATOM 1585 NE2 HIS A 100 17.194 7.881 25.136 1.00 0.00 N ATOM 0 H HIS A 100 17.566 9.458 18.985 1.00 0.00 H new ATOM 0 HA HIS A 100 18.495 7.286 20.727 1.00 0.00 H new ATOM 0 HB2 HIS A 100 19.086 9.538 21.758 1.00 0.00 H new ATOM 0 HB3 HIS A 100 17.379 9.933 21.739 1.00 0.00 H new ATOM 0 HD2 HIS A 100 16.292 9.569 24.050 1.00 0.00 H new ATOM 0 HE1 HIS A 100 18.538 6.225 25.419 1.00 0.00 H new ATOM 0 HE2 HIS A 100 16.674 7.873 26.013 1.00 0.00 H new ATOM 1593 N SER A 101 15.849 7.754 19.301 1.00 0.00 N ATOM 1594 CA SER A 101 14.475 7.323 19.054 1.00 0.00 C ATOM 1595 C SER A 101 14.305 6.822 17.622 1.00 0.00 C ATOM 1596 O SER A 101 13.156 6.482 17.262 1.00 0.00 O ATOM 1597 CB SER A 101 13.520 8.481 19.341 1.00 0.00 C ATOM 1598 OG SER A 101 13.796 9.574 18.489 1.00 0.00 O ATOM 1599 OXT SER A 101 15.321 6.780 16.891 1.00 0.00 O ATOM 0 H SER A 101 16.323 8.104 18.468 1.00 0.00 H new ATOM 0 HA SER A 101 14.241 6.493 19.720 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.490 8.154 19.200 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.617 8.790 20.382 1.00 0.00 H new ATOM 0 HG SER A 101 14.622 10.015 18.779 1.00 0.00 H new TER 1605 SER A 101