USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 776 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 25 SER OG : rot 42:sc= 1.25 USER MOD Set 1.2: A 84 THR OG1 : rot -55:sc= 0.928 USER MOD Set 2.1: A 7 SER OG : rot -112:sc= -0.124 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0.212 USER MOD Single : A 3 THR OG1 : rot 67:sc= 0.567 USER MOD Single : A 18 CYS SG : rot 90:sc= -0.0524 USER MOD Single : A 19 GLN : amide:sc= -0.037 K(o=-0.037,f=-1.3!) USER MOD Single : A 23 SER OG : rot -140:sc= -0.128 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -111:sc= -0.355 (180deg=-1.91!) USER MOD Single : A 31 GLN : amide:sc= 0.984 K(o=0.98,f=-0.035) USER MOD Single : A 33 SER OG : rot -150:sc= -1.9 USER MOD Single : A 35 MET CE :methyl -161:sc= -1.17 (180deg=-3.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -1.17 (180deg=-2.12!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -51:sc= 0.751 USER MOD Single : A 41 SER OG : rot -25:sc= 0.344 USER MOD Single : A 42 GLN : amide:sc= -4.42! K(o=-4.4!,f=-1.3) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.894 X(o=-0.89,f=-0.78) USER MOD Single : A 54 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.105) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.56) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -61:sc= 1.17 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -6.51! C(o=-6.5!,f=-11!) USER MOD Single : A 105 MET CE :methyl -176:sc= -0.566 (180deg=-0.704) USER MOD Single : A 107 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.3!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 1.204 -5.042 -2.271 1.00 0.00 N ATOM 32 CA THR A 3 0.053 -5.714 -1.681 1.00 0.00 C ATOM 33 C THR A 3 -1.031 -4.713 -1.298 1.00 0.00 C ATOM 34 O THR A 3 -1.764 -4.917 -0.330 1.00 0.00 O ATOM 35 CB THR A 3 0.453 -6.523 -0.433 1.00 0.00 C ATOM 36 OG1 THR A 3 0.513 -5.662 0.710 1.00 0.00 O ATOM 37 CG2 THR A 3 1.801 -7.199 -0.636 1.00 0.00 C ATOM 0 HA THR A 3 -0.336 -6.396 -2.437 1.00 0.00 H new ATOM 0 HB THR A 3 -0.301 -7.293 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.388 -5.346 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.063 -7.764 0.258 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.744 -7.875 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.563 -6.442 -0.823 1.00 0.00 H new ATOM 45 N ASP A 4 -1.127 -3.631 -2.063 1.00 0.00 N ATOM 46 CA ASP A 4 -2.124 -2.598 -1.804 1.00 0.00 C ATOM 47 C ASP A 4 -3.500 -3.035 -2.295 1.00 0.00 C ATOM 48 O ASP A 4 -4.417 -3.242 -1.500 1.00 0.00 O ATOM 49 CB ASP A 4 -1.719 -1.288 -2.482 1.00 0.00 C ATOM 50 CG ASP A 4 -2.459 -0.091 -1.916 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.107 -0.240 -0.859 1.00 0.00 O ATOM 52 OD2 ASP A 4 -2.390 0.994 -2.531 1.00 0.00 O ATOM 0 H ASP A 4 -0.527 -3.446 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.176 -2.440 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.646 -1.137 -2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.915 -1.360 -3.552 1.00 0.00 H new ATOM 57 N ILE A 5 -3.637 -3.173 -3.610 1.00 0.00 N ATOM 58 CA ILE A 5 -4.902 -3.586 -4.206 1.00 0.00 C ATOM 59 C ILE A 5 -5.247 -5.021 -3.824 1.00 0.00 C ATOM 60 O ILE A 5 -6.418 -5.404 -3.802 1.00 0.00 O ATOM 61 CB ILE A 5 -4.864 -3.470 -5.741 1.00 0.00 C ATOM 62 CG1 ILE A 5 -6.269 -3.213 -6.290 1.00 0.00 C ATOM 63 CG2 ILE A 5 -4.273 -4.731 -6.353 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.514 -1.771 -6.673 1.00 0.00 C ATOM 0 H ILE A 5 -2.888 -3.005 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.668 -2.915 -3.818 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.229 -2.626 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.430 -3.845 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.003 -3.511 -5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.253 -4.634 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.258 -4.874 -5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.884 -5.590 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.530 -1.663 -7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.385 -1.135 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.804 -1.474 -7.445 1.00 0.00 H new ATOM 76 N LEU A 6 -4.222 -5.810 -3.522 1.00 0.00 N ATOM 77 CA LEU A 6 -4.417 -7.204 -3.138 1.00 0.00 C ATOM 78 C LEU A 6 -3.974 -7.439 -1.697 1.00 0.00 C ATOM 79 O LEU A 6 -3.702 -6.492 -0.959 1.00 0.00 O ATOM 80 CB LEU A 6 -3.640 -8.126 -4.079 1.00 0.00 C ATOM 81 CG LEU A 6 -4.466 -9.174 -4.825 1.00 0.00 C ATOM 82 CD1 LEU A 6 -5.160 -8.550 -6.026 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.586 -10.336 -5.260 1.00 0.00 C ATOM 0 H LEU A 6 -3.248 -5.509 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.481 -7.431 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.123 -7.509 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.874 -8.641 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.230 -9.557 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.743 -9.311 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.822 -7.752 -5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.413 -8.140 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.191 -11.072 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.800 -9.970 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.136 -10.800 -4.382 1.00 0.00 H new ATOM 95 N SER A 7 -3.902 -8.707 -1.305 1.00 0.00 N ATOM 96 CA SER A 7 -3.494 -9.066 0.048 1.00 0.00 C ATOM 97 C SER A 7 -2.111 -9.711 0.045 1.00 0.00 C ATOM 98 O SER A 7 -1.780 -10.524 -0.819 1.00 0.00 O ATOM 99 CB SER A 7 -4.513 -10.020 0.675 1.00 0.00 C ATOM 100 OG SER A 7 -4.495 -9.927 2.089 1.00 0.00 O ATOM 0 H SER A 7 -4.121 -9.502 -1.905 1.00 0.00 H new ATOM 0 HA SER A 7 -3.449 -8.153 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.511 -9.786 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.292 -11.043 0.372 1.00 0.00 H new ATOM 0 HG SER A 7 -4.150 -10.762 2.467 1.00 0.00 H new ATOM 106 N PRO A 8 -1.284 -9.341 1.034 1.00 0.00 N ATOM 107 CA PRO A 8 0.076 -9.872 1.168 1.00 0.00 C ATOM 108 C PRO A 8 0.087 -11.341 1.576 1.00 0.00 C ATOM 109 O PRO A 8 1.121 -12.006 1.508 1.00 0.00 O ATOM 110 CB PRO A 8 0.686 -9.006 2.273 1.00 0.00 C ATOM 111 CG PRO A 8 -0.479 -8.533 3.072 1.00 0.00 C ATOM 112 CD PRO A 8 -1.613 -8.378 2.097 1.00 0.00 C ATOM 0 HA PRO A 8 0.623 -9.835 0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.380 -9.579 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.246 -8.169 1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.732 -9.248 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.256 -7.587 3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.574 -8.603 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.675 -7.360 1.712 1.00 0.00 H new ATOM 120 N SER A 9 -1.069 -11.842 1.998 1.00 0.00 N ATOM 121 CA SER A 9 -1.191 -13.233 2.420 1.00 0.00 C ATOM 122 C SER A 9 -1.567 -14.127 1.242 1.00 0.00 C ATOM 123 O SER A 9 -1.973 -15.275 1.424 1.00 0.00 O ATOM 124 CB SER A 9 -2.238 -13.362 3.528 1.00 0.00 C ATOM 125 OG SER A 9 -3.422 -12.658 3.195 1.00 0.00 O ATOM 0 H SER A 9 -1.935 -11.306 2.057 1.00 0.00 H new ATOM 0 HA SER A 9 -0.224 -13.557 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.471 -14.414 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.832 -12.976 4.463 1.00 0.00 H new ATOM 0 HG SER A 9 -4.076 -12.757 3.918 1.00 0.00 H new ATOM 131 N ASP A 10 -1.428 -13.592 0.034 1.00 0.00 N ATOM 132 CA ASP A 10 -1.752 -14.340 -1.175 1.00 0.00 C ATOM 133 C ASP A 10 -0.568 -14.358 -2.136 1.00 0.00 C ATOM 134 O ASP A 10 -0.342 -15.343 -2.840 1.00 0.00 O ATOM 135 CB ASP A 10 -2.975 -13.733 -1.864 1.00 0.00 C ATOM 136 CG ASP A 10 -4.098 -13.432 -0.891 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.142 -14.072 0.181 1.00 0.00 O ATOM 138 OD2 ASP A 10 -4.933 -12.557 -1.201 1.00 0.00 O ATOM 0 H ASP A 10 -1.093 -12.643 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.979 -15.367 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.683 -12.814 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.336 -14.420 -2.629 1.00 0.00 H new ATOM 143 N ILE A 11 0.184 -13.263 -2.161 1.00 0.00 N ATOM 144 CA ILE A 11 1.345 -13.154 -3.036 1.00 0.00 C ATOM 145 C ILE A 11 2.449 -14.115 -2.608 1.00 0.00 C ATOM 146 O ILE A 11 3.324 -14.463 -3.400 1.00 0.00 O ATOM 147 CB ILE A 11 1.907 -11.719 -3.049 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.824 -10.729 -3.482 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.112 -11.632 -3.973 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.951 -9.371 -2.828 1.00 0.00 C ATOM 0 H ILE A 11 0.010 -12.439 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 11 1.009 -13.414 -4.040 1.00 0.00 H new ATOM 0 HB ILE A 11 2.228 -11.460 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.866 -10.607 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.155 -11.147 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.498 -10.613 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.887 -12.314 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.815 -11.907 -4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.151 -8.721 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.879 -9.480 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.915 -8.932 -3.085 1.00 0.00 H new ATOM 162 N ALA A 12 2.399 -14.543 -1.351 1.00 0.00 N ATOM 163 CA ALA A 12 3.391 -15.468 -0.819 1.00 0.00 C ATOM 164 C ALA A 12 3.076 -16.904 -1.223 1.00 0.00 C ATOM 165 O ALA A 12 3.974 -17.738 -1.337 1.00 0.00 O ATOM 166 CB ALA A 12 3.466 -15.348 0.696 1.00 0.00 C ATOM 0 H ALA A 12 1.682 -14.264 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 12 4.360 -15.204 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.211 -16.045 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.747 -14.330 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.493 -15.583 1.128 1.00 0.00 H new ATOM 172 N ALA A 13 1.795 -17.186 -1.437 1.00 0.00 N ATOM 173 CA ALA A 13 1.362 -18.521 -1.829 1.00 0.00 C ATOM 174 C ALA A 13 2.028 -18.954 -3.131 1.00 0.00 C ATOM 175 O ALA A 13 2.120 -20.145 -3.426 1.00 0.00 O ATOM 176 CB ALA A 13 -0.153 -18.565 -1.969 1.00 0.00 C ATOM 0 H ALA A 13 1.039 -16.507 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 13 1.664 -19.218 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.462 -19.568 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.614 -18.307 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.469 -17.851 -2.730 1.00 0.00 H new ATOM 182 N ALA A 14 2.491 -17.979 -3.906 1.00 0.00 N ATOM 183 CA ALA A 14 3.150 -18.260 -5.175 1.00 0.00 C ATOM 184 C ALA A 14 4.666 -18.161 -5.041 1.00 0.00 C ATOM 185 O ALA A 14 5.407 -18.867 -5.726 1.00 0.00 O ATOM 186 CB ALA A 14 2.651 -17.306 -6.251 1.00 0.00 C ATOM 0 H ALA A 14 2.422 -16.987 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 14 2.903 -19.281 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.151 -17.527 -7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.575 -17.427 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.869 -16.279 -5.957 1.00 0.00 H new ATOM 192 N LEU A 15 5.120 -17.283 -4.154 1.00 0.00 N ATOM 193 CA LEU A 15 6.549 -17.092 -3.930 1.00 0.00 C ATOM 194 C LEU A 15 7.160 -18.309 -3.245 1.00 0.00 C ATOM 195 O LEU A 15 8.381 -18.455 -3.190 1.00 0.00 O ATOM 196 CB LEU A 15 6.790 -15.841 -3.083 1.00 0.00 C ATOM 197 CG LEU A 15 6.545 -14.502 -3.779 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.762 -13.349 -2.810 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.452 -14.358 -4.993 1.00 0.00 C ATOM 0 H LEU A 15 4.520 -16.692 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 15 7.030 -16.965 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.149 -15.893 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.820 -15.860 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 15 5.510 -14.475 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.583 -12.404 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.072 -13.443 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.787 -13.373 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.264 -13.399 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.494 -14.407 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.249 -15.165 -5.697 1.00 0.00 H new ATOM 211 N ARG A 16 6.303 -19.182 -2.725 1.00 0.00 N ATOM 212 CA ARG A 16 6.758 -20.388 -2.044 1.00 0.00 C ATOM 213 C ARG A 16 6.496 -21.626 -2.897 1.00 0.00 C ATOM 214 O ARG A 16 7.336 -22.523 -2.981 1.00 0.00 O ATOM 215 CB ARG A 16 6.059 -20.530 -0.691 1.00 0.00 C ATOM 216 CG ARG A 16 6.515 -21.742 0.106 1.00 0.00 C ATOM 217 CD ARG A 16 5.514 -22.102 1.193 1.00 0.00 C ATOM 218 NE ARG A 16 5.770 -23.425 1.756 1.00 0.00 N ATOM 219 CZ ARG A 16 5.481 -24.560 1.128 1.00 0.00 C ATOM 220 NH1 ARG A 16 4.929 -24.532 -0.077 1.00 0.00 N ATOM 221 NH2 ARG A 16 5.744 -25.725 1.705 1.00 0.00 N ATOM 0 H ARG A 16 5.289 -19.076 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 16 7.832 -20.300 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.239 -19.630 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.983 -20.596 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.647 -22.591 -0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.486 -21.538 0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.557 -21.356 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.505 -22.072 0.781 1.00 0.00 H new ATOM 0 HE ARG A 16 6.194 -23.481 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.725 -23.638 -0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.708 -25.404 -0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.169 -25.751 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.522 -26.595 1.222 1.00 0.00 H new ATOM 235 N ASP A 17 5.327 -21.667 -3.526 1.00 0.00 N ATOM 236 CA ASP A 17 4.955 -22.795 -4.373 1.00 0.00 C ATOM 237 C ASP A 17 5.695 -22.741 -5.706 1.00 0.00 C ATOM 238 O ASP A 17 5.620 -23.674 -6.506 1.00 0.00 O ATOM 239 CB ASP A 17 3.444 -22.801 -4.615 1.00 0.00 C ATOM 240 CG ASP A 17 2.914 -24.186 -4.931 1.00 0.00 C ATOM 241 OD1 ASP A 17 3.735 -25.116 -5.080 1.00 0.00 O ATOM 242 OD2 ASP A 17 1.679 -24.340 -5.028 1.00 0.00 O ATOM 0 H ASP A 17 4.621 -20.933 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 17 5.237 -23.713 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.936 -22.413 -3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.208 -22.128 -5.439 1.00 0.00 H new ATOM 247 N CYS A 18 6.408 -21.645 -5.937 1.00 0.00 N ATOM 248 CA CYS A 18 7.161 -21.469 -7.174 1.00 0.00 C ATOM 249 C CYS A 18 8.622 -21.146 -6.880 1.00 0.00 C ATOM 250 O CYS A 18 9.216 -20.278 -7.519 1.00 0.00 O ATOM 251 CB CYS A 18 6.540 -20.356 -8.020 1.00 0.00 C ATOM 252 SG CYS A 18 4.757 -20.525 -8.267 1.00 0.00 S ATOM 0 H CYS A 18 6.481 -20.865 -5.284 1.00 0.00 H new ATOM 0 HA CYS A 18 7.120 -22.405 -7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.741 -19.397 -7.543 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.031 -20.337 -8.993 1.00 0.00 H new ATOM 0 HG CYS A 18 4.126 -19.909 -7.312 1.00 0.00 H new ATOM 258 N GLN A 19 9.194 -21.848 -5.907 1.00 0.00 N ATOM 259 CA GLN A 19 10.585 -21.633 -5.526 1.00 0.00 C ATOM 260 C GLN A 19 11.526 -22.409 -6.442 1.00 0.00 C ATOM 261 O GLN A 19 12.694 -22.052 -6.595 1.00 0.00 O ATOM 262 CB GLN A 19 10.809 -22.052 -4.072 1.00 0.00 C ATOM 263 CG GLN A 19 10.574 -20.931 -3.073 1.00 0.00 C ATOM 264 CD GLN A 19 11.069 -21.276 -1.682 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.995 -22.071 -1.519 1.00 0.00 O ATOM 266 NE2 GLN A 19 10.452 -20.678 -0.669 1.00 0.00 N ATOM 0 H GLN A 19 8.716 -22.570 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 19 10.803 -20.570 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.145 -22.883 -3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.830 -22.418 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.077 -20.029 -3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.509 -20.705 -3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.689 -20.026 -0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.741 -20.871 0.290 1.00 0.00 H new ATOM 275 N ALA A 20 11.010 -23.473 -7.048 1.00 0.00 N ATOM 276 CA ALA A 20 11.803 -24.298 -7.950 1.00 0.00 C ATOM 277 C ALA A 20 12.212 -23.516 -9.194 1.00 0.00 C ATOM 278 O ALA A 20 11.613 -22.498 -9.541 1.00 0.00 O ATOM 279 CB ALA A 20 11.028 -25.548 -8.341 1.00 0.00 C ATOM 0 H ALA A 20 10.046 -23.784 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 20 12.711 -24.596 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.633 -26.155 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.792 -26.125 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.103 -25.261 -8.842 1.00 0.00 H new ATOM 285 N PRO A 21 13.256 -24.001 -9.882 1.00 0.00 N ATOM 286 CA PRO A 21 13.768 -23.362 -11.098 1.00 0.00 C ATOM 287 C PRO A 21 12.806 -23.497 -12.273 1.00 0.00 C ATOM 288 O PRO A 21 12.213 -24.555 -12.484 1.00 0.00 O ATOM 289 CB PRO A 21 15.066 -24.124 -11.380 1.00 0.00 C ATOM 290 CG PRO A 21 14.869 -25.455 -10.741 1.00 0.00 C ATOM 291 CD PRO A 21 14.017 -25.211 -9.527 1.00 0.00 C ATOM 0 HA PRO A 21 13.907 -22.289 -10.966 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.243 -24.221 -12.451 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.928 -23.607 -10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.382 -26.148 -11.426 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.825 -25.900 -10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.358 -26.055 -9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.624 -25.057 -8.635 1.00 0.00 H new ATOM 299 N ASP A 22 12.655 -22.419 -13.035 1.00 0.00 N ATOM 300 CA ASP A 22 11.765 -22.418 -14.190 1.00 0.00 C ATOM 301 C ASP A 22 10.361 -22.867 -13.796 1.00 0.00 C ATOM 302 O ASP A 22 9.618 -23.407 -14.616 1.00 0.00 O ATOM 303 CB ASP A 22 12.317 -23.330 -15.287 1.00 0.00 C ATOM 304 CG ASP A 22 11.708 -23.037 -16.644 1.00 0.00 C ATOM 305 OD1 ASP A 22 10.990 -22.023 -16.765 1.00 0.00 O ATOM 306 OD2 ASP A 22 11.950 -23.822 -17.585 1.00 0.00 O ATOM 0 H ASP A 22 13.137 -21.535 -12.874 1.00 0.00 H new ATOM 0 HA ASP A 22 11.707 -21.398 -14.571 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.399 -23.211 -15.344 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.124 -24.370 -15.022 1.00 0.00 H new ATOM 311 N SER A 23 10.006 -22.642 -12.535 1.00 0.00 N ATOM 312 CA SER A 23 8.694 -23.028 -12.030 1.00 0.00 C ATOM 313 C SER A 23 7.843 -21.798 -11.731 1.00 0.00 C ATOM 314 O SER A 23 6.622 -21.888 -11.606 1.00 0.00 O ATOM 315 CB SER A 23 8.840 -23.881 -10.768 1.00 0.00 C ATOM 316 OG SER A 23 9.151 -25.224 -11.093 1.00 0.00 O ATOM 0 H SER A 23 10.609 -22.194 -11.845 1.00 0.00 H new ATOM 0 HA SER A 23 8.194 -23.615 -12.801 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.624 -23.466 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.914 -23.848 -10.194 1.00 0.00 H new ATOM 0 HG SER A 23 8.657 -25.827 -10.499 1.00 0.00 H new ATOM 322 N PHE A 24 8.498 -20.647 -11.617 1.00 0.00 N ATOM 323 CA PHE A 24 7.804 -19.397 -11.331 1.00 0.00 C ATOM 324 C PHE A 24 7.554 -18.608 -12.613 1.00 0.00 C ATOM 325 O PHE A 24 8.315 -18.709 -13.575 1.00 0.00 O ATOM 326 CB PHE A 24 8.616 -18.551 -10.348 1.00 0.00 C ATOM 327 CG PHE A 24 7.990 -17.220 -10.043 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.723 -17.147 -9.486 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.668 -16.043 -10.314 1.00 0.00 C ATOM 330 CE1 PHE A 24 6.144 -15.924 -9.204 1.00 0.00 C ATOM 331 CE2 PHE A 24 8.094 -14.817 -10.033 1.00 0.00 C ATOM 332 CZ PHE A 24 6.830 -14.757 -9.479 1.00 0.00 C ATOM 0 H PHE A 24 9.509 -20.554 -11.718 1.00 0.00 H new ATOM 0 HA PHE A 24 6.841 -19.640 -10.881 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.740 -19.107 -9.419 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.613 -18.389 -10.758 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.182 -18.056 -9.270 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.656 -16.083 -10.749 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.156 -15.881 -8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.634 -13.906 -10.247 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.379 -13.800 -9.261 1.00 0.00 H new ATOM 342 N SER A 25 6.482 -17.823 -12.618 1.00 0.00 N ATOM 343 CA SER A 25 6.128 -17.019 -13.782 1.00 0.00 C ATOM 344 C SER A 25 4.983 -16.065 -13.457 1.00 0.00 C ATOM 345 O SER A 25 4.233 -16.258 -12.500 1.00 0.00 O ATOM 346 CB SER A 25 5.737 -17.924 -14.952 1.00 0.00 C ATOM 347 OG SER A 25 6.876 -18.312 -15.701 1.00 0.00 O ATOM 0 H SER A 25 5.843 -17.726 -11.829 1.00 0.00 H new ATOM 0 HA SER A 25 7.000 -16.428 -14.063 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.227 -18.810 -14.575 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.033 -17.402 -15.600 1.00 0.00 H new ATOM 0 HG SER A 25 7.611 -18.528 -15.090 1.00 0.00 H new ATOM 353 N PRO A 26 4.844 -15.009 -14.272 1.00 0.00 N ATOM 354 CA PRO A 26 3.793 -14.003 -14.092 1.00 0.00 C ATOM 355 C PRO A 26 2.405 -14.552 -14.406 1.00 0.00 C ATOM 356 O PRO A 26 1.399 -14.045 -13.910 1.00 0.00 O ATOM 357 CB PRO A 26 4.174 -12.909 -15.092 1.00 0.00 C ATOM 358 CG PRO A 26 4.965 -13.613 -16.141 1.00 0.00 C ATOM 359 CD PRO A 26 5.702 -14.716 -15.432 1.00 0.00 C ATOM 0 HA PRO A 26 3.734 -13.655 -13.061 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.289 -12.434 -15.516 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.760 -12.123 -14.615 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.314 -14.015 -16.917 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.660 -12.930 -16.630 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.827 -15.591 -16.070 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.699 -14.400 -15.125 1.00 0.00 H new ATOM 367 N LYS A 27 2.359 -15.592 -15.232 1.00 0.00 N ATOM 368 CA LYS A 27 1.095 -16.212 -15.611 1.00 0.00 C ATOM 369 C LYS A 27 0.793 -17.417 -14.726 1.00 0.00 C ATOM 370 O LYS A 27 0.166 -18.382 -15.165 1.00 0.00 O ATOM 371 CB LYS A 27 1.134 -16.641 -17.079 1.00 0.00 C ATOM 372 CG LYS A 27 -0.221 -16.589 -17.765 1.00 0.00 C ATOM 373 CD LYS A 27 -0.103 -16.860 -19.255 1.00 0.00 C ATOM 374 CE LYS A 27 0.388 -18.274 -19.527 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.013 -18.749 -20.880 1.00 0.00 N ATOM 0 H LYS A 27 3.183 -16.023 -15.652 1.00 0.00 H new ATOM 0 HA LYS A 27 0.303 -15.476 -15.475 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.830 -15.998 -17.618 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.525 -17.657 -17.142 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.887 -17.323 -17.312 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.672 -15.609 -17.607 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.073 -16.713 -19.731 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.584 -16.142 -19.703 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.474 -18.305 -19.438 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.013 -18.949 -18.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.340 -19.716 -21.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.050 -18.744 -20.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.391 -18.119 -21.603 1.00 0.00 H new ATOM 389 N LYS A 28 1.242 -17.356 -13.477 1.00 0.00 N ATOM 390 CA LYS A 28 1.018 -18.441 -12.529 1.00 0.00 C ATOM 391 C LYS A 28 0.558 -17.898 -11.180 1.00 0.00 C ATOM 392 O LYS A 28 -0.325 -18.467 -10.538 1.00 0.00 O ATOM 393 CB LYS A 28 2.296 -19.262 -12.351 1.00 0.00 C ATOM 394 CG LYS A 28 2.543 -20.255 -13.474 1.00 0.00 C ATOM 395 CD LYS A 28 1.565 -21.417 -13.415 1.00 0.00 C ATOM 396 CE LYS A 28 1.979 -22.441 -12.369 1.00 0.00 C ATOM 397 NZ LYS A 28 1.380 -22.147 -11.038 1.00 0.00 N ATOM 0 H LYS A 28 1.764 -16.566 -13.097 1.00 0.00 H new ATOM 0 HA LYS A 28 0.234 -19.084 -12.929 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.147 -18.584 -12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.242 -19.802 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.451 -19.749 -14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.563 -20.633 -13.409 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.567 -21.043 -13.185 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.508 -21.896 -14.392 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.673 -23.436 -12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.066 -22.454 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.127 -21.848 -10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.678 -21.385 -11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.915 -23.002 -10.670 1.00 0.00 H new ATOM 411 N PHE A 29 1.162 -16.792 -10.755 1.00 0.00 N ATOM 412 CA PHE A 29 0.813 -16.172 -9.482 1.00 0.00 C ATOM 413 C PHE A 29 -0.450 -15.327 -9.617 1.00 0.00 C ATOM 414 O PHE A 29 -1.101 -15.001 -8.624 1.00 0.00 O ATOM 415 CB PHE A 29 1.970 -15.305 -8.980 1.00 0.00 C ATOM 416 CG PHE A 29 1.959 -13.910 -9.538 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.266 -13.680 -10.869 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.642 -12.830 -8.731 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.258 -12.398 -11.385 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.632 -11.545 -9.241 1.00 0.00 C ATOM 421 CZ PHE A 29 1.940 -11.329 -10.570 1.00 0.00 C ATOM 0 H PHE A 29 1.895 -16.308 -11.273 1.00 0.00 H new ATOM 0 HA PHE A 29 0.622 -16.965 -8.759 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.929 -15.253 -7.892 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.913 -15.785 -9.241 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.514 -14.512 -11.511 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.400 -12.994 -7.691 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.500 -12.232 -12.424 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.384 -10.711 -8.601 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.932 -10.326 -10.971 1.00 0.00 H new ATOM 431 N PHE A 30 -0.791 -14.975 -10.852 1.00 0.00 N ATOM 432 CA PHE A 30 -1.975 -14.166 -11.117 1.00 0.00 C ATOM 433 C PHE A 30 -3.229 -14.844 -10.574 1.00 0.00 C ATOM 434 O PHE A 30 -4.183 -14.177 -10.175 1.00 0.00 O ATOM 435 CB PHE A 30 -2.124 -13.921 -12.620 1.00 0.00 C ATOM 436 CG PHE A 30 -2.702 -15.091 -13.364 1.00 0.00 C ATOM 437 CD1 PHE A 30 -1.984 -16.268 -13.497 1.00 0.00 C ATOM 438 CD2 PHE A 30 -3.964 -15.013 -13.931 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.513 -17.346 -14.180 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.499 -16.088 -14.615 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.772 -17.256 -14.741 1.00 0.00 C ATOM 0 H PHE A 30 -0.264 -15.237 -11.685 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.852 -13.209 -10.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.761 -13.050 -12.777 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.147 -13.681 -13.039 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.999 -16.344 -13.061 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.536 -14.102 -13.837 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.943 -18.258 -14.275 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.485 -16.015 -15.051 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.187 -18.097 -15.277 1.00 0.00 H new ATOM 451 N GLN A 31 -3.219 -16.173 -10.563 1.00 0.00 N ATOM 452 CA GLN A 31 -4.356 -16.941 -10.071 1.00 0.00 C ATOM 453 C GLN A 31 -4.195 -17.261 -8.588 1.00 0.00 C ATOM 454 O GLN A 31 -5.180 -17.358 -7.854 1.00 0.00 O ATOM 455 CB GLN A 31 -4.509 -18.236 -10.870 1.00 0.00 C ATOM 456 CG GLN A 31 -3.474 -19.294 -10.519 1.00 0.00 C ATOM 457 CD GLN A 31 -3.096 -20.157 -11.706 1.00 0.00 C ATOM 458 OE1 GLN A 31 -3.962 -20.676 -12.412 1.00 0.00 O ATOM 459 NE2 GLN A 31 -1.798 -20.316 -11.933 1.00 0.00 N ATOM 0 H GLN A 31 -2.436 -16.740 -10.889 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.254 -16.336 -10.199 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.505 -18.643 -10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.437 -18.008 -11.933 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.580 -18.807 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.864 -19.928 -9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.115 -19.868 -11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.484 -20.887 -12.718 1.00 0.00 H new ATOM 468 N ILE A 32 -2.950 -17.425 -8.155 1.00 0.00 N ATOM 469 CA ILE A 32 -2.662 -17.733 -6.760 1.00 0.00 C ATOM 470 C ILE A 32 -2.896 -16.519 -5.868 1.00 0.00 C ATOM 471 O ILE A 32 -3.719 -16.557 -4.953 1.00 0.00 O ATOM 472 CB ILE A 32 -1.210 -18.216 -6.578 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.975 -19.503 -7.372 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.905 -18.434 -5.104 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.463 -19.694 -7.800 1.00 0.00 C ATOM 0 H ILE A 32 -2.125 -17.350 -8.750 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.343 -18.532 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.537 -17.448 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.282 -20.355 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.611 -19.496 -8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.124 -18.775 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.038 -17.497 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.582 -19.186 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.556 -20.626 -8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.768 -18.860 -8.433 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.103 -19.734 -6.918 1.00 0.00 H new ATOM 487 N SER A 33 -2.169 -15.441 -6.143 1.00 0.00 N ATOM 488 CA SER A 33 -2.296 -14.214 -5.365 1.00 0.00 C ATOM 489 C SER A 33 -3.724 -13.680 -5.423 1.00 0.00 C ATOM 490 O SER A 33 -4.359 -13.460 -4.392 1.00 0.00 O ATOM 491 CB SER A 33 -1.322 -13.154 -5.881 1.00 0.00 C ATOM 492 OG SER A 33 -1.254 -12.049 -4.996 1.00 0.00 O ATOM 0 H SER A 33 -1.486 -15.392 -6.899 1.00 0.00 H new ATOM 0 HA SER A 33 -2.054 -14.444 -4.327 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.331 -13.592 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.638 -12.815 -6.867 1.00 0.00 H new ATOM 0 HG SER A 33 -1.050 -11.236 -5.503 1.00 0.00 H new ATOM 498 N GLY A 34 -4.223 -13.472 -6.638 1.00 0.00 N ATOM 499 CA GLY A 34 -5.572 -12.965 -6.809 1.00 0.00 C ATOM 500 C GLY A 34 -5.631 -11.784 -7.758 1.00 0.00 C ATOM 501 O GLY A 34 -6.326 -10.803 -7.495 1.00 0.00 O ATOM 0 H GLY A 34 -3.717 -13.646 -7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.212 -13.763 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.971 -12.668 -5.839 1.00 0.00 H new ATOM 505 N MET A 35 -4.899 -11.877 -8.863 1.00 0.00 N ATOM 506 CA MET A 35 -4.871 -10.807 -9.853 1.00 0.00 C ATOM 507 C MET A 35 -5.814 -11.113 -11.012 1.00 0.00 C ATOM 508 O MET A 35 -6.201 -10.218 -11.763 1.00 0.00 O ATOM 509 CB MET A 35 -3.448 -10.605 -10.378 1.00 0.00 C ATOM 510 CG MET A 35 -2.492 -10.040 -9.340 1.00 0.00 C ATOM 511 SD MET A 35 -1.214 -8.997 -10.069 1.00 0.00 S ATOM 512 CE MET A 35 -0.776 -9.958 -11.515 1.00 0.00 C ATOM 0 H MET A 35 -4.317 -12.682 -9.095 1.00 0.00 H new ATOM 0 HA MET A 35 -5.205 -9.890 -9.368 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.062 -11.560 -10.734 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.478 -9.934 -11.236 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.056 -9.460 -8.610 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.021 -10.861 -8.800 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.201 -9.642 -11.880 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.741 -11.015 -11.252 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.522 -9.803 -12.295 1.00 0.00 H new ATOM 522 N SER A 36 -6.180 -12.384 -11.151 1.00 0.00 N ATOM 523 CA SER A 36 -7.075 -12.809 -12.221 1.00 0.00 C ATOM 524 C SER A 36 -8.356 -11.980 -12.220 1.00 0.00 C ATOM 525 O SER A 36 -8.899 -11.653 -13.275 1.00 0.00 O ATOM 526 CB SER A 36 -7.414 -14.293 -12.072 1.00 0.00 C ATOM 527 OG SER A 36 -8.345 -14.705 -13.057 1.00 0.00 O ATOM 0 H SER A 36 -5.870 -13.137 -10.536 1.00 0.00 H new ATOM 0 HA SER A 36 -6.564 -12.654 -13.171 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.504 -14.887 -12.156 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.825 -14.478 -11.079 1.00 0.00 H new ATOM 0 HG SER A 36 -8.544 -15.658 -12.941 1.00 0.00 H new ATOM 533 N LYS A 37 -8.833 -11.643 -11.026 1.00 0.00 N ATOM 534 CA LYS A 37 -10.049 -10.851 -10.884 1.00 0.00 C ATOM 535 C LYS A 37 -9.857 -9.451 -11.458 1.00 0.00 C ATOM 536 O LYS A 37 -10.813 -8.814 -11.902 1.00 0.00 O ATOM 537 CB LYS A 37 -10.453 -10.759 -9.411 1.00 0.00 C ATOM 538 CG LYS A 37 -9.301 -10.410 -8.485 1.00 0.00 C ATOM 539 CD LYS A 37 -9.770 -9.591 -7.294 1.00 0.00 C ATOM 540 CE LYS A 37 -8.928 -9.871 -6.059 1.00 0.00 C ATOM 541 NZ LYS A 37 -9.756 -9.914 -4.822 1.00 0.00 N ATOM 0 H LYS A 37 -8.396 -11.906 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.843 -11.347 -11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.235 -10.007 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.882 -11.712 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.826 -11.326 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.546 -9.851 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.719 -8.530 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.815 -9.819 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.408 -10.821 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.164 -9.100 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.146 -10.107 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.232 -8.999 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.469 -10.666 -4.908 1.00 0.00 H new ATOM 555 N LYS A 38 -8.616 -8.978 -11.448 1.00 0.00 N ATOM 556 CA LYS A 38 -8.297 -7.654 -11.970 1.00 0.00 C ATOM 557 C LYS A 38 -8.773 -7.509 -13.412 1.00 0.00 C ATOM 558 O LYS A 38 -9.353 -8.434 -13.980 1.00 0.00 O ATOM 559 CB LYS A 38 -6.790 -7.402 -11.892 1.00 0.00 C ATOM 560 CG LYS A 38 -6.211 -7.601 -10.501 1.00 0.00 C ATOM 561 CD LYS A 38 -6.746 -6.570 -9.522 1.00 0.00 C ATOM 562 CE LYS A 38 -7.725 -7.190 -8.537 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.563 -6.631 -7.167 1.00 0.00 N ATOM 0 H LYS A 38 -7.814 -9.492 -11.084 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.815 -6.915 -11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.282 -8.070 -12.587 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.583 -6.383 -12.220 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.453 -8.602 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.124 -7.533 -10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.916 -6.120 -8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.240 -5.768 -10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.745 -7.017 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.577 -8.269 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.920 -7.314 -6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.556 -6.444 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.100 -5.744 -7.088 1.00 0.00 H new ATOM 577 N SER A 39 -8.524 -6.342 -13.998 1.00 0.00 N ATOM 578 CA SER A 39 -8.929 -6.075 -15.373 1.00 0.00 C ATOM 579 C SER A 39 -8.159 -4.889 -15.946 1.00 0.00 C ATOM 580 O SER A 39 -8.752 -3.932 -16.444 1.00 0.00 O ATOM 581 CB SER A 39 -10.433 -5.802 -15.440 1.00 0.00 C ATOM 582 OG SER A 39 -10.967 -6.193 -16.693 1.00 0.00 O ATOM 0 H SER A 39 -8.044 -5.566 -13.542 1.00 0.00 H new ATOM 0 HA SER A 39 -8.700 -6.957 -15.971 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.940 -6.342 -14.641 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.621 -4.741 -15.276 1.00 0.00 H new ATOM 0 HG SER A 39 -11.930 -6.010 -16.710 1.00 0.00 H new ATOM 588 N SER A 40 -6.834 -4.960 -15.870 1.00 0.00 N ATOM 589 CA SER A 40 -5.982 -3.890 -16.377 1.00 0.00 C ATOM 590 C SER A 40 -6.399 -2.542 -15.797 1.00 0.00 C ATOM 591 O SER A 40 -6.179 -1.497 -16.409 1.00 0.00 O ATOM 592 CB SER A 40 -6.043 -3.842 -17.905 1.00 0.00 C ATOM 593 OG SER A 40 -5.108 -2.911 -18.424 1.00 0.00 O ATOM 0 H SER A 40 -6.327 -5.746 -15.463 1.00 0.00 H new ATOM 0 HA SER A 40 -4.958 -4.097 -16.068 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.839 -4.832 -18.312 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.049 -3.568 -18.224 1.00 0.00 H new ATOM 0 HG SER A 40 -5.216 -2.050 -17.968 1.00 0.00 H new ATOM 599 N SER A 41 -7.001 -2.575 -14.613 1.00 0.00 N ATOM 600 CA SER A 41 -7.453 -1.357 -13.951 1.00 0.00 C ATOM 601 C SER A 41 -6.821 -1.224 -12.568 1.00 0.00 C ATOM 602 O SER A 41 -6.989 -0.209 -11.894 1.00 0.00 O ATOM 603 CB SER A 41 -8.978 -1.352 -13.830 1.00 0.00 C ATOM 604 OG SER A 41 -9.446 -0.113 -13.328 1.00 0.00 O ATOM 0 H SER A 41 -7.187 -3.432 -14.092 1.00 0.00 H new ATOM 0 HA SER A 41 -7.142 -0.507 -14.557 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.424 -1.544 -14.806 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.296 -2.159 -13.170 1.00 0.00 H new ATOM 0 HG SER A 41 -8.740 0.313 -12.798 1.00 0.00 H new ATOM 610 N GLN A 42 -6.095 -2.258 -12.155 1.00 0.00 N ATOM 611 CA GLN A 42 -5.439 -2.258 -10.852 1.00 0.00 C ATOM 612 C GLN A 42 -4.000 -2.747 -10.968 1.00 0.00 C ATOM 613 O GLN A 42 -3.191 -2.550 -10.060 1.00 0.00 O ATOM 614 CB GLN A 42 -6.212 -3.137 -9.868 1.00 0.00 C ATOM 615 CG GLN A 42 -7.669 -2.733 -9.705 1.00 0.00 C ATOM 616 CD GLN A 42 -8.621 -3.695 -10.389 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.688 -4.010 -9.861 1.00 0.00 O ATOM 618 NE2 GLN A 42 -8.239 -4.167 -11.569 1.00 0.00 N ATOM 0 H GLN A 42 -5.946 -3.105 -12.703 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.426 -1.234 -10.479 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.166 -4.172 -10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.722 -3.097 -8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.911 -2.681 -8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.813 -1.733 -10.114 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.346 -3.879 -11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.838 -4.818 -12.076 1.00 0.00 H new ATOM 627 N LEU A 43 -3.686 -3.387 -12.089 1.00 0.00 N ATOM 628 CA LEU A 43 -2.343 -3.907 -12.324 1.00 0.00 C ATOM 629 C LEU A 43 -1.298 -2.807 -12.162 1.00 0.00 C ATOM 630 O LEU A 43 -0.264 -3.007 -11.525 1.00 0.00 O ATOM 631 CB LEU A 43 -2.248 -4.515 -13.724 1.00 0.00 C ATOM 632 CG LEU A 43 -3.438 -5.366 -14.169 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.140 -6.048 -15.495 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.785 -6.395 -13.103 1.00 0.00 C ATOM 0 H LEU A 43 -4.343 -3.558 -12.850 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.145 -4.683 -11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.118 -3.705 -14.442 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.349 -5.130 -13.771 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.298 -4.711 -14.307 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.998 -6.649 -15.796 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.941 -5.293 -16.256 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.267 -6.691 -15.385 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.634 -6.992 -13.436 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.928 -7.046 -12.933 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.042 -5.885 -12.175 1.00 0.00 H new ATOM 646 N LYS A 44 -1.577 -1.644 -12.741 1.00 0.00 N ATOM 647 CA LYS A 44 -0.664 -0.510 -12.659 1.00 0.00 C ATOM 648 C LYS A 44 -0.914 0.300 -11.391 1.00 0.00 C ATOM 649 O LYS A 44 -0.297 1.343 -11.178 1.00 0.00 O ATOM 650 CB LYS A 44 -0.821 0.387 -13.889 1.00 0.00 C ATOM 651 CG LYS A 44 -1.896 1.449 -13.734 1.00 0.00 C ATOM 652 CD LYS A 44 -3.248 0.831 -13.420 1.00 0.00 C ATOM 653 CE LYS A 44 -4.385 1.800 -13.710 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.517 2.834 -12.646 1.00 0.00 N ATOM 0 H LYS A 44 -2.428 -1.462 -13.272 1.00 0.00 H new ATOM 0 HA LYS A 44 0.354 -0.897 -12.626 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.132 0.874 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.057 -0.234 -14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.616 2.138 -12.937 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.966 2.034 -14.651 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.381 -0.075 -14.011 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.279 0.535 -12.371 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.212 2.287 -14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.320 1.247 -13.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.302 3.475 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.708 2.372 -11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.634 3.379 -12.580 1.00 0.00 H new ATOM 668 N GLU A 45 -1.822 -0.189 -10.552 1.00 0.00 N ATOM 669 CA GLU A 45 -2.152 0.491 -9.304 1.00 0.00 C ATOM 670 C GLU A 45 -1.086 0.229 -8.244 1.00 0.00 C ATOM 671 O GLU A 45 -0.646 1.148 -7.552 1.00 0.00 O ATOM 672 CB GLU A 45 -3.519 0.030 -8.794 1.00 0.00 C ATOM 673 CG GLU A 45 -4.083 0.908 -7.688 1.00 0.00 C ATOM 674 CD GLU A 45 -4.047 2.382 -8.039 1.00 0.00 C ATOM 675 OE1 GLU A 45 -4.582 2.753 -9.104 1.00 0.00 O ATOM 676 OE2 GLU A 45 -3.484 3.167 -7.246 1.00 0.00 O ATOM 0 H GLU A 45 -2.342 -1.052 -10.713 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.188 1.562 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.222 0.013 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.435 -0.993 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.112 0.612 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.515 0.742 -6.772 1.00 0.00 H new ATOM 683 N ILE A 46 -0.677 -1.029 -8.123 1.00 0.00 N ATOM 684 CA ILE A 46 0.337 -1.412 -7.148 1.00 0.00 C ATOM 685 C ILE A 46 1.710 -0.883 -7.547 1.00 0.00 C ATOM 686 O ILE A 46 2.554 -0.610 -6.693 1.00 0.00 O ATOM 687 CB ILE A 46 0.415 -2.941 -6.987 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.988 -3.532 -6.834 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.282 -3.305 -5.792 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.444 -4.327 -8.037 1.00 0.00 C ATOM 0 H ILE A 46 -1.032 -1.801 -8.688 1.00 0.00 H new ATOM 0 HA ILE A 46 0.042 -0.970 -6.196 1.00 0.00 H new ATOM 0 HB ILE A 46 0.871 -3.363 -7.883 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.008 -4.176 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.696 -2.723 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.327 -4.389 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.288 -2.912 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.853 -2.875 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.446 -4.716 -7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.457 -3.682 -8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.758 -5.157 -8.206 1.00 0.00 H new ATOM 702 N PHE A 47 1.927 -0.738 -8.850 1.00 0.00 N ATOM 703 CA PHE A 47 3.198 -0.240 -9.363 1.00 0.00 C ATOM 704 C PHE A 47 4.362 -1.066 -8.825 1.00 0.00 C ATOM 705 O PHE A 47 5.470 -0.558 -8.654 1.00 0.00 O ATOM 706 CB PHE A 47 3.384 1.231 -8.985 1.00 0.00 C ATOM 707 CG PHE A 47 2.614 2.177 -9.861 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.743 2.126 -11.240 1.00 0.00 C ATOM 709 CD2 PHE A 47 1.760 3.117 -9.307 1.00 0.00 C ATOM 710 CE1 PHE A 47 2.037 2.997 -12.048 1.00 0.00 C ATOM 711 CE2 PHE A 47 1.050 3.989 -10.110 1.00 0.00 C ATOM 712 CZ PHE A 47 1.188 3.928 -11.483 1.00 0.00 C ATOM 0 H PHE A 47 1.239 -0.958 -9.570 1.00 0.00 H new ATOM 0 HA PHE A 47 3.183 -0.329 -10.449 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.074 1.374 -7.950 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.444 1.480 -9.038 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.403 1.398 -11.688 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.648 3.169 -8.234 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.149 2.950 -13.121 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.388 4.717 -9.665 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.633 4.607 -12.113 1.00 0.00 H new ATOM 722 N ARG A 48 4.102 -2.342 -8.560 1.00 0.00 N ATOM 723 CA ARG A 48 5.127 -3.239 -8.040 1.00 0.00 C ATOM 724 C ARG A 48 4.930 -4.656 -8.571 1.00 0.00 C ATOM 725 O ARG A 48 5.498 -5.612 -8.042 1.00 0.00 O ATOM 726 CB ARG A 48 5.099 -3.248 -6.511 1.00 0.00 C ATOM 727 CG ARG A 48 5.425 -1.900 -5.888 1.00 0.00 C ATOM 728 CD ARG A 48 6.136 -2.060 -4.553 1.00 0.00 C ATOM 729 NE ARG A 48 7.121 -1.007 -4.328 1.00 0.00 N ATOM 730 CZ ARG A 48 6.803 0.267 -4.125 1.00 0.00 C ATOM 731 NH1 ARG A 48 5.531 0.642 -4.119 1.00 0.00 N ATOM 732 NH2 ARG A 48 7.757 1.167 -3.927 1.00 0.00 N ATOM 0 H ARG A 48 3.190 -2.778 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 48 6.098 -2.875 -8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.111 -3.564 -6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.811 -3.989 -6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.053 -1.326 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.506 -1.332 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.402 -2.048 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.630 -3.031 -4.519 1.00 0.00 H new ATOM 0 HE ARG A 48 8.108 -1.263 -4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.795 -0.048 -4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.288 1.620 -3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.736 0.881 -3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.511 2.145 -3.771 1.00 0.00 H new ATOM 746 N ILE A 49 4.122 -4.783 -9.619 1.00 0.00 N ATOM 747 CA ILE A 49 3.851 -6.082 -10.221 1.00 0.00 C ATOM 748 C ILE A 49 4.274 -6.108 -11.686 1.00 0.00 C ATOM 749 O ILE A 49 4.511 -7.174 -12.256 1.00 0.00 O ATOM 750 CB ILE A 49 2.358 -6.448 -10.122 1.00 0.00 C ATOM 751 CG1 ILE A 49 1.503 -5.381 -10.809 1.00 0.00 C ATOM 752 CG2 ILE A 49 1.947 -6.609 -8.666 1.00 0.00 C ATOM 753 CD1 ILE A 49 0.121 -5.865 -11.188 1.00 0.00 C ATOM 0 H ILE A 49 3.644 -4.002 -10.068 1.00 0.00 H new ATOM 0 HA ILE A 49 4.434 -6.816 -9.664 1.00 0.00 H new ATOM 0 HB ILE A 49 2.197 -7.398 -10.631 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.409 -4.521 -10.146 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.017 -5.037 -11.706 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.889 -6.868 -8.613 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.538 -7.402 -8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.119 -5.673 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.428 -5.056 -11.670 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.206 -6.706 -11.876 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.412 -6.182 -10.292 1.00 0.00 H new ATOM 765 N LEU A 50 4.368 -4.929 -12.289 1.00 0.00 N ATOM 766 CA LEU A 50 4.765 -4.815 -13.689 1.00 0.00 C ATOM 767 C LEU A 50 6.260 -4.538 -13.810 1.00 0.00 C ATOM 768 O LEU A 50 7.018 -5.373 -14.303 1.00 0.00 O ATOM 769 CB LEU A 50 3.971 -3.702 -14.375 1.00 0.00 C ATOM 770 CG LEU A 50 2.566 -3.444 -13.829 1.00 0.00 C ATOM 771 CD1 LEU A 50 2.069 -2.073 -14.261 1.00 0.00 C ATOM 772 CD2 LEU A 50 1.607 -4.531 -14.289 1.00 0.00 C ATOM 0 H LEU A 50 4.175 -4.038 -11.831 1.00 0.00 H new ATOM 0 HA LEU A 50 4.549 -5.763 -14.181 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.543 -2.777 -14.302 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.889 -3.942 -15.435 1.00 0.00 H new ATOM 0 HG LEU A 50 2.611 -3.465 -12.740 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.068 -1.907 -13.863 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.743 -1.305 -13.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.040 -2.023 -15.349 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.612 -4.331 -13.891 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.566 -4.543 -15.378 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.954 -5.499 -13.928 1.00 0.00 H new ATOM 784 N ASP A 51 6.677 -3.362 -13.355 1.00 0.00 N ATOM 785 CA ASP A 51 8.082 -2.976 -13.409 1.00 0.00 C ATOM 786 C ASP A 51 8.384 -1.879 -12.393 1.00 0.00 C ATOM 787 O ASP A 51 7.504 -1.102 -12.024 1.00 0.00 O ATOM 788 CB ASP A 51 8.448 -2.500 -14.816 1.00 0.00 C ATOM 789 CG ASP A 51 7.344 -1.682 -15.456 1.00 0.00 C ATOM 790 OD1 ASP A 51 6.322 -2.276 -15.857 1.00 0.00 O ATOM 791 OD2 ASP A 51 7.502 -0.447 -15.557 1.00 0.00 O ATOM 0 H ASP A 51 6.062 -2.659 -12.945 1.00 0.00 H new ATOM 0 HA ASP A 51 8.683 -3.851 -13.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.358 -1.902 -14.769 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.666 -3.364 -15.443 1.00 0.00 H new ATOM 796 N ASN A 52 9.634 -1.823 -11.944 1.00 0.00 N ATOM 797 CA ASN A 52 10.052 -0.822 -10.969 1.00 0.00 C ATOM 798 C ASN A 52 10.833 0.302 -11.643 1.00 0.00 C ATOM 799 O ASN A 52 11.954 0.619 -11.245 1.00 0.00 O ATOM 800 CB ASN A 52 10.907 -1.469 -9.878 1.00 0.00 C ATOM 801 CG ASN A 52 12.151 -2.133 -10.436 1.00 0.00 C ATOM 802 OD1 ASN A 52 13.226 -1.535 -10.467 1.00 0.00 O ATOM 803 ND2 ASN A 52 12.009 -3.376 -10.880 1.00 0.00 N ATOM 0 H ASN A 52 10.375 -2.459 -12.240 1.00 0.00 H new ATOM 0 HA ASN A 52 9.157 -0.397 -10.516 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.198 -0.711 -9.151 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.311 -2.210 -9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.811 -3.874 -11.267 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.098 -3.833 -10.835 1.00 0.00 H new ATOM 810 N ASP A 53 10.232 0.901 -12.666 1.00 0.00 N ATOM 811 CA ASP A 53 10.870 1.991 -13.395 1.00 0.00 C ATOM 812 C ASP A 53 9.826 2.912 -14.019 1.00 0.00 C ATOM 813 O ASP A 53 9.835 4.121 -13.789 1.00 0.00 O ATOM 814 CB ASP A 53 11.792 1.436 -14.481 1.00 0.00 C ATOM 815 CG ASP A 53 12.918 2.390 -14.829 1.00 0.00 C ATOM 816 OD1 ASP A 53 13.146 3.346 -14.057 1.00 0.00 O ATOM 817 OD2 ASP A 53 13.572 2.181 -15.872 1.00 0.00 O ATOM 0 H ASP A 53 9.305 0.650 -13.009 1.00 0.00 H new ATOM 0 HA ASP A 53 11.463 2.570 -12.687 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.213 0.488 -14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.208 1.226 -15.377 1.00 0.00 H new ATOM 822 N GLN A 54 8.928 2.331 -14.808 1.00 0.00 N ATOM 823 CA GLN A 54 7.879 3.100 -15.466 1.00 0.00 C ATOM 824 C GLN A 54 8.465 4.294 -16.212 1.00 0.00 C ATOM 825 O GLN A 54 7.827 5.340 -16.329 1.00 0.00 O ATOM 826 CB GLN A 54 6.849 3.580 -14.441 1.00 0.00 C ATOM 827 CG GLN A 54 6.385 2.489 -13.489 1.00 0.00 C ATOM 828 CD GLN A 54 5.672 1.357 -14.202 1.00 0.00 C ATOM 829 OE1 GLN A 54 5.515 1.379 -15.424 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.235 0.360 -13.442 1.00 0.00 N ATOM 0 H GLN A 54 8.906 1.331 -15.007 1.00 0.00 H new ATOM 0 HA GLN A 54 7.386 2.449 -16.189 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.278 4.398 -13.862 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.984 3.983 -14.968 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.246 2.090 -12.952 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.717 2.922 -12.744 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.387 0.383 -12.434 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.747 -0.429 -13.866 1.00 0.00 H new ATOM 839 N SER A 55 9.685 4.131 -16.714 1.00 0.00 N ATOM 840 CA SER A 55 10.359 5.197 -17.445 1.00 0.00 C ATOM 841 C SER A 55 10.065 5.102 -18.939 1.00 0.00 C ATOM 842 O SER A 55 9.722 6.094 -19.581 1.00 0.00 O ATOM 843 CB SER A 55 11.869 5.132 -17.206 1.00 0.00 C ATOM 844 OG SER A 55 12.584 5.661 -18.310 1.00 0.00 O ATOM 0 H SER A 55 10.227 3.271 -16.628 1.00 0.00 H new ATOM 0 HA SER A 55 9.980 6.151 -17.078 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.122 5.690 -16.304 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.169 4.098 -17.036 1.00 0.00 H new ATOM 0 HG SER A 55 13.546 5.609 -18.132 1.00 0.00 H new ATOM 850 N GLY A 56 10.204 3.898 -19.488 1.00 0.00 N ATOM 851 CA GLY A 56 9.950 3.694 -20.902 1.00 0.00 C ATOM 852 C GLY A 56 9.462 2.291 -21.207 1.00 0.00 C ATOM 853 O GLY A 56 8.388 2.111 -21.780 1.00 0.00 O ATOM 0 H GLY A 56 10.488 3.061 -18.978 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.207 4.416 -21.242 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.864 3.888 -21.464 1.00 0.00 H new ATOM 857 N PHE A 57 10.254 1.295 -20.824 1.00 0.00 N ATOM 858 CA PHE A 57 9.898 -0.099 -21.062 1.00 0.00 C ATOM 859 C PHE A 57 10.653 -1.023 -20.111 1.00 0.00 C ATOM 860 O PHE A 57 11.622 -0.615 -19.471 1.00 0.00 O ATOM 861 CB PHE A 57 10.199 -0.484 -22.512 1.00 0.00 C ATOM 862 CG PHE A 57 9.236 0.106 -23.501 1.00 0.00 C ATOM 863 CD1 PHE A 57 7.977 -0.446 -23.676 1.00 0.00 C ATOM 864 CD2 PHE A 57 9.589 1.213 -24.257 1.00 0.00 C ATOM 865 CE1 PHE A 57 7.089 0.095 -24.587 1.00 0.00 C ATOM 866 CE2 PHE A 57 8.705 1.758 -25.169 1.00 0.00 C ATOM 867 CZ PHE A 57 7.453 1.199 -25.333 1.00 0.00 C ATOM 0 H PHE A 57 11.146 1.427 -20.348 1.00 0.00 H new ATOM 0 HA PHE A 57 8.830 -0.212 -20.878 1.00 0.00 H new ATOM 0 HB2 PHE A 57 11.209 -0.160 -22.763 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.180 -1.570 -22.602 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.686 -1.308 -23.094 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.566 1.655 -24.132 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.111 -0.345 -24.715 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.993 2.620 -25.753 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.760 1.624 -26.043 1.00 0.00 H new ATOM 877 N ILE A 58 10.200 -2.269 -20.023 1.00 0.00 N ATOM 878 CA ILE A 58 10.833 -3.251 -19.151 1.00 0.00 C ATOM 879 C ILE A 58 11.925 -4.018 -19.888 1.00 0.00 C ATOM 880 O ILE A 58 11.922 -4.095 -21.116 1.00 0.00 O ATOM 881 CB ILE A 58 9.805 -4.253 -18.593 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.537 -3.522 -18.148 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.404 -5.038 -17.436 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.453 -4.446 -17.638 1.00 0.00 C ATOM 0 H ILE A 58 9.398 -2.622 -20.544 1.00 0.00 H new ATOM 0 HA ILE A 58 11.277 -2.698 -18.323 1.00 0.00 H new ATOM 0 HB ILE A 58 9.539 -4.955 -19.383 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.794 -2.810 -17.364 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.147 -2.946 -18.987 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.665 -5.742 -17.053 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.281 -5.585 -17.783 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.696 -4.350 -16.642 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.584 -3.859 -17.340 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.167 -5.142 -18.427 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.825 -5.004 -16.779 1.00 0.00 H new ATOM 896 N GLU A 59 12.857 -4.586 -19.129 1.00 0.00 N ATOM 897 CA GLU A 59 13.956 -5.348 -19.712 1.00 0.00 C ATOM 898 C GLU A 59 14.377 -6.487 -18.788 1.00 0.00 C ATOM 899 O GLU A 59 13.977 -6.537 -17.625 1.00 0.00 O ATOM 900 CB GLU A 59 15.150 -4.433 -19.989 1.00 0.00 C ATOM 901 CG GLU A 59 16.104 -4.979 -21.038 1.00 0.00 C ATOM 902 CD GLU A 59 15.390 -5.426 -22.299 1.00 0.00 C ATOM 903 OE1 GLU A 59 14.725 -4.583 -22.936 1.00 0.00 O ATOM 904 OE2 GLU A 59 15.498 -6.621 -22.649 1.00 0.00 O ATOM 0 H GLU A 59 12.873 -4.533 -18.110 1.00 0.00 H new ATOM 0 HA GLU A 59 13.610 -5.775 -20.653 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.783 -3.460 -20.315 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.698 -4.273 -19.060 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.836 -4.213 -21.292 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.656 -5.821 -20.619 1.00 0.00 H new ATOM 911 N GLU A 60 15.186 -7.401 -19.315 1.00 0.00 N ATOM 912 CA GLU A 60 15.661 -8.540 -18.538 1.00 0.00 C ATOM 913 C GLU A 60 16.405 -8.075 -17.290 1.00 0.00 C ATOM 914 O GLU A 60 16.544 -8.824 -16.322 1.00 0.00 O ATOM 915 CB GLU A 60 16.574 -9.422 -19.391 1.00 0.00 C ATOM 916 CG GLU A 60 15.847 -10.154 -20.507 1.00 0.00 C ATOM 917 CD GLU A 60 16.794 -10.858 -21.458 1.00 0.00 C ATOM 918 OE1 GLU A 60 17.599 -10.164 -22.114 1.00 0.00 O ATOM 919 OE2 GLU A 60 16.731 -12.102 -21.548 1.00 0.00 O ATOM 0 H GLU A 60 15.526 -7.375 -20.276 1.00 0.00 H new ATOM 0 HA GLU A 60 14.794 -9.122 -18.227 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.359 -8.804 -19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.063 -10.153 -18.747 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.165 -10.885 -20.073 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.239 -9.443 -21.066 1.00 0.00 H new ATOM 926 N ASP A 61 16.881 -6.836 -17.320 1.00 0.00 N ATOM 927 CA ASP A 61 17.611 -6.270 -16.191 1.00 0.00 C ATOM 928 C ASP A 61 16.654 -5.860 -15.076 1.00 0.00 C ATOM 929 O ASP A 61 17.083 -5.434 -14.004 1.00 0.00 O ATOM 930 CB ASP A 61 18.434 -5.062 -16.642 1.00 0.00 C ATOM 931 CG ASP A 61 19.356 -4.551 -15.553 1.00 0.00 C ATOM 932 OD1 ASP A 61 20.490 -5.064 -15.446 1.00 0.00 O ATOM 933 OD2 ASP A 61 18.944 -3.638 -14.807 1.00 0.00 O ATOM 0 H ASP A 61 16.775 -6.204 -18.113 1.00 0.00 H new ATOM 0 HA ASP A 61 18.284 -7.035 -15.805 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.025 -5.335 -17.516 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.761 -4.262 -16.949 1.00 0.00 H new ATOM 938 N GLU A 62 15.358 -5.993 -15.337 1.00 0.00 N ATOM 939 CA GLU A 62 14.341 -5.634 -14.355 1.00 0.00 C ATOM 940 C GLU A 62 13.398 -6.806 -14.095 1.00 0.00 C ATOM 941 O GLU A 62 12.265 -6.619 -13.650 1.00 0.00 O ATOM 942 CB GLU A 62 13.543 -4.420 -14.834 1.00 0.00 C ATOM 943 CG GLU A 62 14.116 -3.092 -14.368 1.00 0.00 C ATOM 944 CD GLU A 62 13.914 -1.982 -15.381 1.00 0.00 C ATOM 945 OE1 GLU A 62 12.867 -1.982 -16.062 1.00 0.00 O ATOM 946 OE2 GLU A 62 14.803 -1.112 -15.491 1.00 0.00 O ATOM 0 H GLU A 62 14.987 -6.346 -16.219 1.00 0.00 H new ATOM 0 HA GLU A 62 14.846 -5.382 -13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.505 -4.427 -15.923 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.516 -4.508 -14.479 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.647 -2.809 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.182 -3.209 -14.171 1.00 0.00 H new ATOM 953 N LEU A 63 13.874 -8.014 -14.377 1.00 0.00 N ATOM 954 CA LEU A 63 13.075 -9.217 -14.175 1.00 0.00 C ATOM 955 C LEU A 63 13.603 -10.030 -12.997 1.00 0.00 C ATOM 956 O LEU A 63 12.836 -10.480 -12.145 1.00 0.00 O ATOM 957 CB LEU A 63 13.077 -10.074 -15.442 1.00 0.00 C ATOM 958 CG LEU A 63 12.611 -9.379 -16.722 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.566 -10.366 -17.879 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.247 -8.737 -16.514 1.00 0.00 C ATOM 0 H LEU A 63 14.809 -8.186 -14.746 1.00 0.00 H new ATOM 0 HA LEU A 63 12.053 -8.911 -13.953 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.088 -10.448 -15.603 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.440 -10.942 -15.271 1.00 0.00 H new ATOM 0 HG LEU A 63 13.326 -8.594 -16.968 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.232 -9.854 -18.781 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.561 -10.780 -18.043 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.872 -11.173 -17.642 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.931 -8.247 -17.435 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.521 -9.504 -16.244 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.310 -7.999 -15.714 1.00 0.00 H new ATOM 972 N LYS A 64 14.918 -10.214 -12.954 1.00 0.00 N ATOM 973 CA LYS A 64 15.551 -10.969 -11.879 1.00 0.00 C ATOM 974 C LYS A 64 15.220 -10.362 -10.520 1.00 0.00 C ATOM 975 O LYS A 64 14.935 -11.080 -9.561 1.00 0.00 O ATOM 976 CB LYS A 64 17.068 -11.005 -12.078 1.00 0.00 C ATOM 977 CG LYS A 64 17.663 -9.663 -12.467 1.00 0.00 C ATOM 978 CD LYS A 64 18.357 -9.731 -13.817 1.00 0.00 C ATOM 979 CE LYS A 64 19.824 -10.104 -13.671 1.00 0.00 C ATOM 980 NZ LYS A 64 20.684 -8.904 -13.470 1.00 0.00 N ATOM 0 H LYS A 64 15.567 -9.850 -13.652 1.00 0.00 H new ATOM 0 HA LYS A 64 15.163 -11.987 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.539 -11.348 -11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.307 -11.736 -12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.875 -8.910 -12.499 1.00 0.00 H new ATOM 0 HG3 LYS A 64 18.376 -9.346 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.855 -10.464 -14.449 1.00 0.00 H new ATOM 0 HD3 LYS A 64 18.274 -8.767 -14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.944 -10.782 -12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.152 -10.641 -14.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.560 -9.182 -12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.918 -8.486 -14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.175 -8.205 -12.892 1.00 0.00 H new ATOM 994 N TYR A 65 15.260 -9.036 -10.443 1.00 0.00 N ATOM 995 CA TYR A 65 14.965 -8.333 -9.201 1.00 0.00 C ATOM 996 C TYR A 65 13.459 -8.215 -8.985 1.00 0.00 C ATOM 997 O TYR A 65 12.960 -7.170 -8.569 1.00 0.00 O ATOM 998 CB TYR A 65 15.600 -6.942 -9.215 1.00 0.00 C ATOM 999 CG TYR A 65 17.109 -6.964 -9.132 1.00 0.00 C ATOM 1000 CD1 TYR A 65 17.882 -7.245 -10.252 1.00 0.00 C ATOM 1001 CD2 TYR A 65 17.763 -6.703 -7.934 1.00 0.00 C ATOM 1002 CE1 TYR A 65 19.262 -7.267 -10.181 1.00 0.00 C ATOM 1003 CE2 TYR A 65 19.142 -6.722 -7.854 1.00 0.00 C ATOM 1004 CZ TYR A 65 19.887 -7.005 -8.980 1.00 0.00 C ATOM 1005 OH TYR A 65 21.261 -7.024 -8.905 1.00 0.00 O ATOM 0 H TYR A 65 15.494 -8.427 -11.227 1.00 0.00 H new ATOM 0 HA TYR A 65 15.387 -8.910 -8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 65 15.302 -6.425 -10.127 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.207 -6.364 -8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.396 -7.450 -11.194 1.00 0.00 H new ATOM 0 HD2 TYR A 65 17.183 -6.481 -7.050 1.00 0.00 H new ATOM 0 HE1 TYR A 65 19.848 -7.488 -11.061 1.00 0.00 H new ATOM 0 HE2 TYR A 65 19.634 -6.516 -6.915 1.00 0.00 H new ATOM 0 HH TYR A 65 21.541 -6.818 -7.989 1.00 0.00 H new ATOM 1015 N PHE A 66 12.741 -9.296 -9.272 1.00 0.00 N ATOM 1016 CA PHE A 66 11.292 -9.316 -9.110 1.00 0.00 C ATOM 1017 C PHE A 66 10.906 -9.803 -7.717 1.00 0.00 C ATOM 1018 O PHE A 66 10.293 -9.072 -6.938 1.00 0.00 O ATOM 1019 CB PHE A 66 10.651 -10.212 -10.172 1.00 0.00 C ATOM 1020 CG PHE A 66 9.154 -10.283 -10.073 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.545 -11.178 -9.209 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.356 -9.453 -10.843 1.00 0.00 C ATOM 1023 CE1 PHE A 66 7.168 -11.246 -9.116 1.00 0.00 C ATOM 1024 CE2 PHE A 66 6.978 -9.515 -10.755 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.383 -10.412 -9.890 1.00 0.00 C ATOM 0 H PHE A 66 13.139 -10.169 -9.618 1.00 0.00 H new ATOM 0 HA PHE A 66 10.924 -8.297 -9.234 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.925 -9.843 -11.160 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.061 -11.218 -10.083 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.154 -11.831 -8.601 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.816 -8.749 -11.520 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.706 -11.950 -8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.367 -8.863 -11.362 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.307 -10.462 -9.818 1.00 0.00 H new ATOM 1035 N LEU A 67 11.269 -11.044 -7.409 1.00 0.00 N ATOM 1036 CA LEU A 67 10.962 -11.631 -6.110 1.00 0.00 C ATOM 1037 C LEU A 67 11.402 -10.709 -4.977 1.00 0.00 C ATOM 1038 O LEU A 67 10.809 -10.709 -3.899 1.00 0.00 O ATOM 1039 CB LEU A 67 11.644 -12.993 -5.969 1.00 0.00 C ATOM 1040 CG LEU A 67 11.497 -13.943 -7.158 1.00 0.00 C ATOM 1041 CD1 LEU A 67 12.121 -15.294 -6.842 1.00 0.00 C ATOM 1042 CD2 LEU A 67 10.031 -14.106 -7.532 1.00 0.00 C ATOM 0 H LEU A 67 11.776 -11.663 -8.042 1.00 0.00 H new ATOM 0 HA LEU A 67 9.882 -11.764 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.707 -12.828 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.245 -13.487 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 67 12.023 -13.512 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.007 -15.957 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.181 -15.163 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.623 -15.731 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.945 -14.785 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.482 -14.514 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.614 -13.135 -7.801 1.00 0.00 H new ATOM 1054 N GLN A 68 12.444 -9.924 -5.232 1.00 0.00 N ATOM 1055 CA GLN A 68 12.963 -8.997 -4.234 1.00 0.00 C ATOM 1056 C GLN A 68 11.846 -8.127 -3.666 1.00 0.00 C ATOM 1057 O GLN A 68 11.742 -7.946 -2.453 1.00 0.00 O ATOM 1058 CB GLN A 68 14.052 -8.114 -4.845 1.00 0.00 C ATOM 1059 CG GLN A 68 15.364 -8.146 -4.077 1.00 0.00 C ATOM 1060 CD GLN A 68 16.574 -8.178 -4.990 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.437 -7.302 -4.926 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.643 -9.191 -5.846 1.00 0.00 N ATOM 0 H GLN A 68 12.945 -9.912 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 68 13.393 -9.582 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.234 -8.433 -5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.692 -7.086 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.424 -7.270 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.380 -9.022 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.905 -9.895 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.434 -9.266 -6.485 1.00 0.00 H new ATOM 1071 N ARG A 69 11.012 -7.591 -4.552 1.00 0.00 N ATOM 1072 CA ARG A 69 9.903 -6.739 -4.139 1.00 0.00 C ATOM 1073 C ARG A 69 9.081 -7.410 -3.043 1.00 0.00 C ATOM 1074 O ARG A 69 9.180 -7.050 -1.870 1.00 0.00 O ATOM 1075 CB ARG A 69 9.008 -6.414 -5.337 1.00 0.00 C ATOM 1076 CG ARG A 69 9.545 -5.293 -6.212 1.00 0.00 C ATOM 1077 CD ARG A 69 9.037 -3.936 -5.751 1.00 0.00 C ATOM 1078 NE ARG A 69 9.590 -3.556 -4.454 1.00 0.00 N ATOM 1079 CZ ARG A 69 10.796 -3.020 -4.297 1.00 0.00 C ATOM 1080 NH1 ARG A 69 11.569 -2.801 -5.352 1.00 0.00 N ATOM 1081 NH2 ARG A 69 11.229 -2.701 -3.084 1.00 0.00 N ATOM 0 H ARG A 69 11.083 -7.732 -5.560 1.00 0.00 H new ATOM 0 HA ARG A 69 10.318 -5.812 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.888 -7.311 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.017 -6.139 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.635 -5.302 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.247 -5.462 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.298 -3.180 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.949 -3.958 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 69 9.019 -3.710 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.238 -3.044 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.494 -2.390 -5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.636 -2.867 -2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.155 -2.290 -2.965 1.00 0.00 H new ATOM 1095 N PHE A 70 8.268 -8.386 -3.434 1.00 0.00 N ATOM 1096 CA PHE A 70 7.427 -9.106 -2.485 1.00 0.00 C ATOM 1097 C PHE A 70 8.278 -9.837 -1.450 1.00 0.00 C ATOM 1098 O PHE A 70 8.303 -9.463 -0.278 1.00 0.00 O ATOM 1099 CB PHE A 70 6.531 -10.104 -3.221 1.00 0.00 C ATOM 1100 CG PHE A 70 5.734 -9.486 -4.334 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.580 -8.769 -4.063 1.00 0.00 C ATOM 1102 CD2 PHE A 70 6.138 -9.624 -5.652 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.845 -8.198 -5.085 1.00 0.00 C ATOM 1104 CE2 PHE A 70 5.407 -9.056 -6.678 1.00 0.00 C ATOM 1105 CZ PHE A 70 4.258 -8.343 -6.394 1.00 0.00 C ATOM 0 H PHE A 70 8.174 -8.696 -4.401 1.00 0.00 H new ATOM 0 HA PHE A 70 6.801 -8.379 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.150 -10.904 -3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.847 -10.562 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.251 -8.655 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.034 -10.182 -5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.949 -7.639 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.734 -9.169 -7.701 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.684 -7.900 -7.195 1.00 0.00 H new ATOM 1115 N GLU A 71 8.972 -10.880 -1.893 1.00 0.00 N ATOM 1116 CA GLU A 71 9.822 -11.664 -1.005 1.00 0.00 C ATOM 1117 C GLU A 71 11.014 -10.840 -0.525 1.00 0.00 C ATOM 1118 O GLU A 71 11.759 -10.281 -1.329 1.00 0.00 O ATOM 1119 CB GLU A 71 10.314 -12.926 -1.716 1.00 0.00 C ATOM 1120 CG GLU A 71 10.612 -14.080 -0.772 1.00 0.00 C ATOM 1121 CD GLU A 71 10.779 -15.400 -1.499 1.00 0.00 C ATOM 1122 OE1 GLU A 71 11.326 -15.393 -2.622 1.00 0.00 O ATOM 1123 OE2 GLU A 71 10.364 -16.439 -0.947 1.00 0.00 O ATOM 0 H GLU A 71 8.962 -11.202 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 71 9.229 -11.953 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.561 -13.243 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.216 -12.687 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.521 -13.861 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.804 -14.169 -0.046 1.00 0.00 H new ATOM 1130 N SER A 72 11.185 -10.769 0.791 1.00 0.00 N ATOM 1131 CA SER A 72 12.283 -10.010 1.379 1.00 0.00 C ATOM 1132 C SER A 72 13.478 -10.915 1.662 1.00 0.00 C ATOM 1133 O SER A 72 14.315 -10.610 2.511 1.00 0.00 O ATOM 1134 CB SER A 72 11.826 -9.331 2.672 1.00 0.00 C ATOM 1135 OG SER A 72 11.233 -8.072 2.405 1.00 0.00 O ATOM 0 H SER A 72 10.578 -11.228 1.470 1.00 0.00 H new ATOM 0 HA SER A 72 12.589 -9.246 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.111 -9.971 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.678 -9.201 3.339 1.00 0.00 H new ATOM 0 HG SER A 72 10.948 -7.659 3.247 1.00 0.00 H new ATOM 1141 N GLY A 73 13.552 -12.031 0.942 1.00 0.00 N ATOM 1142 CA GLY A 73 14.648 -12.963 1.129 1.00 0.00 C ATOM 1143 C GLY A 73 15.194 -13.487 -0.184 1.00 0.00 C ATOM 1144 O GLY A 73 16.027 -14.392 -0.201 1.00 0.00 O ATOM 0 H GLY A 73 12.872 -12.306 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.449 -12.471 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.308 -13.801 1.738 1.00 0.00 H new ATOM 1148 N ALA A 74 14.722 -12.917 -1.289 1.00 0.00 N ATOM 1149 CA ALA A 74 15.169 -13.332 -2.613 1.00 0.00 C ATOM 1150 C ALA A 74 16.525 -12.721 -2.951 1.00 0.00 C ATOM 1151 O ALA A 74 17.042 -11.886 -2.209 1.00 0.00 O ATOM 1152 CB ALA A 74 14.138 -12.946 -3.663 1.00 0.00 C ATOM 0 H ALA A 74 14.031 -12.167 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 74 15.279 -14.416 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.485 -13.262 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.190 -13.434 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.000 -11.865 -3.657 1.00 0.00 H new ATOM 1158 N ARG A 75 17.096 -13.145 -4.074 1.00 0.00 N ATOM 1159 CA ARG A 75 18.393 -12.641 -4.508 1.00 0.00 C ATOM 1160 C ARG A 75 18.405 -12.398 -6.014 1.00 0.00 C ATOM 1161 O ARG A 75 18.343 -11.256 -6.470 1.00 0.00 O ATOM 1162 CB ARG A 75 19.500 -13.627 -4.131 1.00 0.00 C ATOM 1163 CG ARG A 75 19.014 -15.060 -3.982 1.00 0.00 C ATOM 1164 CD ARG A 75 20.115 -16.058 -4.305 1.00 0.00 C ATOM 1165 NE ARG A 75 19.888 -17.350 -3.663 1.00 0.00 N ATOM 1166 CZ ARG A 75 19.060 -18.272 -4.140 1.00 0.00 C ATOM 1167 NH1 ARG A 75 18.384 -18.047 -5.258 1.00 0.00 N ATOM 1168 NH2 ARG A 75 18.907 -19.424 -3.498 1.00 0.00 N ATOM 0 H ARG A 75 16.681 -13.836 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 75 18.574 -11.692 -4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.279 -13.594 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.956 -13.308 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.662 -15.222 -2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 75 18.164 -15.228 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.175 -16.195 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.075 -15.656 -3.981 1.00 0.00 H new ATOM 0 HE ARG A 75 20.393 -17.555 -2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.499 -17.163 -5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.749 -18.757 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.426 -19.601 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 75 18.271 -20.132 -3.865 1.00 0.00 H new ATOM 1182 N VAL A 76 18.486 -13.480 -6.783 1.00 0.00 N ATOM 1183 CA VAL A 76 18.505 -13.385 -8.237 1.00 0.00 C ATOM 1184 C VAL A 76 17.780 -14.564 -8.875 1.00 0.00 C ATOM 1185 O VAL A 76 18.242 -15.704 -8.804 1.00 0.00 O ATOM 1186 CB VAL A 76 19.947 -13.331 -8.777 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.953 -12.936 -10.246 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.788 -12.366 -7.954 1.00 0.00 C ATOM 0 H VAL A 76 18.539 -14.433 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 76 17.991 -12.461 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 76 20.386 -14.325 -8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.980 -12.903 -10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.387 -13.668 -10.822 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.496 -11.953 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.804 -12.340 -8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.353 -11.368 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.811 -12.698 -6.916 1.00 0.00 H new ATOM 1198 N LEU A 77 16.641 -14.284 -9.498 1.00 0.00 N ATOM 1199 CA LEU A 77 15.850 -15.322 -10.150 1.00 0.00 C ATOM 1200 C LEU A 77 16.700 -16.117 -11.136 1.00 0.00 C ATOM 1201 O LEU A 77 17.864 -15.790 -11.374 1.00 0.00 O ATOM 1202 CB LEU A 77 14.655 -14.700 -10.877 1.00 0.00 C ATOM 1203 CG LEU A 77 13.448 -14.351 -10.006 1.00 0.00 C ATOM 1204 CD1 LEU A 77 12.887 -12.991 -10.391 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.376 -15.425 -10.126 1.00 0.00 C ATOM 0 H LEU A 77 16.244 -13.347 -9.566 1.00 0.00 H new ATOM 0 HA LEU A 77 15.486 -16.003 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.992 -13.792 -11.377 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.329 -15.390 -11.655 1.00 0.00 H new ATOM 0 HG LEU A 77 13.775 -14.305 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.029 -12.760 -9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.654 -12.229 -10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.576 -13.008 -11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.524 -15.160 -9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.053 -15.502 -11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.782 -16.383 -9.800 1.00 0.00 H new ATOM 1217 N THR A 78 16.112 -17.163 -11.708 1.00 0.00 N ATOM 1218 CA THR A 78 16.815 -18.004 -12.668 1.00 0.00 C ATOM 1219 C THR A 78 16.919 -17.320 -14.026 1.00 0.00 C ATOM 1220 O THR A 78 16.468 -16.188 -14.198 1.00 0.00 O ATOM 1221 CB THR A 78 16.113 -19.364 -12.843 1.00 0.00 C ATOM 1222 OG1 THR A 78 14.817 -19.175 -13.422 1.00 0.00 O ATOM 1223 CG2 THR A 78 15.979 -20.079 -11.508 1.00 0.00 C ATOM 0 H THR A 78 15.150 -17.448 -11.523 1.00 0.00 H new ATOM 0 HA THR A 78 17.816 -18.169 -12.270 1.00 0.00 H new ATOM 0 HB THR A 78 16.720 -19.979 -13.507 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.273 -18.615 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 78 15.480 -21.037 -11.657 1.00 0.00 H new ATOM 0 HG22 THR A 78 16.969 -20.247 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 78 15.391 -19.466 -10.824 1.00 0.00 H new ATOM 1231 N ALA A 79 17.515 -18.014 -14.990 1.00 0.00 N ATOM 1232 CA ALA A 79 17.675 -17.474 -16.334 1.00 0.00 C ATOM 1233 C ALA A 79 16.489 -17.842 -17.219 1.00 0.00 C ATOM 1234 O ALA A 79 16.391 -17.394 -18.361 1.00 0.00 O ATOM 1235 CB ALA A 79 18.972 -17.974 -16.953 1.00 0.00 C ATOM 0 H ALA A 79 17.895 -18.952 -14.865 1.00 0.00 H new ATOM 0 HA ALA A 79 17.716 -16.387 -16.259 1.00 0.00 H new ATOM 0 HB1 ALA A 79 19.078 -17.563 -17.957 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.815 -17.656 -16.339 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.953 -19.063 -17.007 1.00 0.00 H new ATOM 1241 N SER A 80 15.589 -18.661 -16.683 1.00 0.00 N ATOM 1242 CA SER A 80 14.411 -19.093 -17.426 1.00 0.00 C ATOM 1243 C SER A 80 13.177 -18.308 -16.992 1.00 0.00 C ATOM 1244 O SER A 80 12.403 -17.838 -17.825 1.00 0.00 O ATOM 1245 CB SER A 80 14.174 -20.591 -17.222 1.00 0.00 C ATOM 1246 OG SER A 80 14.670 -21.339 -18.318 1.00 0.00 O ATOM 0 H SER A 80 15.653 -19.038 -15.738 1.00 0.00 H new ATOM 0 HA SER A 80 14.589 -18.901 -18.484 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.662 -20.918 -16.304 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.107 -20.781 -17.101 1.00 0.00 H new ATOM 0 HG SER A 80 14.508 -22.293 -18.163 1.00 0.00 H new ATOM 1252 N GLU A 81 13.002 -18.170 -15.681 1.00 0.00 N ATOM 1253 CA GLU A 81 11.861 -17.443 -15.136 1.00 0.00 C ATOM 1254 C GLU A 81 11.766 -16.046 -15.743 1.00 0.00 C ATOM 1255 O GLU A 81 10.737 -15.668 -16.303 1.00 0.00 O ATOM 1256 CB GLU A 81 11.973 -17.342 -13.613 1.00 0.00 C ATOM 1257 CG GLU A 81 11.547 -18.607 -12.887 1.00 0.00 C ATOM 1258 CD GLU A 81 12.230 -18.767 -11.543 1.00 0.00 C ATOM 1259 OE1 GLU A 81 13.345 -18.230 -11.376 1.00 0.00 O ATOM 1260 OE2 GLU A 81 11.649 -19.428 -10.657 1.00 0.00 O ATOM 0 H GLU A 81 13.635 -18.551 -14.978 1.00 0.00 H new ATOM 0 HA GLU A 81 10.956 -17.994 -15.391 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.004 -17.110 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.360 -16.510 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.467 -18.592 -12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.773 -19.472 -13.510 1.00 0.00 H new ATOM 1267 N THR A 82 12.848 -15.282 -15.627 1.00 0.00 N ATOM 1268 CA THR A 82 12.887 -13.927 -16.162 1.00 0.00 C ATOM 1269 C THR A 82 12.528 -13.910 -17.644 1.00 0.00 C ATOM 1270 O THR A 82 11.703 -13.109 -18.084 1.00 0.00 O ATOM 1271 CB THR A 82 14.277 -13.289 -15.975 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.272 -14.081 -16.633 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.619 -13.160 -14.499 1.00 0.00 C ATOM 0 H THR A 82 13.709 -15.579 -15.167 1.00 0.00 H new ATOM 0 HA THR A 82 12.151 -13.347 -15.606 1.00 0.00 H new ATOM 0 HB THR A 82 14.257 -12.292 -16.415 1.00 0.00 H new ATOM 0 HG1 THR A 82 16.152 -13.668 -16.511 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.605 -12.707 -14.392 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.876 -12.532 -14.007 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.622 -14.148 -14.038 1.00 0.00 H new ATOM 1281 N LYS A 83 13.152 -14.799 -18.409 1.00 0.00 N ATOM 1282 CA LYS A 83 12.897 -14.888 -19.842 1.00 0.00 C ATOM 1283 C LYS A 83 11.399 -14.958 -20.125 1.00 0.00 C ATOM 1284 O LYS A 83 10.895 -14.287 -21.026 1.00 0.00 O ATOM 1285 CB LYS A 83 13.595 -16.116 -20.429 1.00 0.00 C ATOM 1286 CG LYS A 83 13.511 -16.198 -21.944 1.00 0.00 C ATOM 1287 CD LYS A 83 14.286 -15.071 -22.607 1.00 0.00 C ATOM 1288 CE LYS A 83 14.341 -15.246 -24.117 1.00 0.00 C ATOM 1289 NZ LYS A 83 15.382 -16.229 -24.524 1.00 0.00 N ATOM 0 H LYS A 83 13.838 -15.468 -18.061 1.00 0.00 H new ATOM 0 HA LYS A 83 13.296 -13.990 -20.313 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.644 -16.104 -20.132 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.152 -17.015 -20.000 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.904 -17.158 -22.280 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.467 -16.155 -22.254 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.818 -14.116 -22.367 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.299 -15.040 -22.206 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.368 -15.577 -24.480 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.546 -14.284 -24.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.388 -16.320 -25.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.314 -15.901 -24.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.172 -17.154 -24.097 1.00 0.00 H new ATOM 1303 N THR A 84 10.693 -15.773 -19.348 1.00 0.00 N ATOM 1304 CA THR A 84 9.253 -15.930 -19.515 1.00 0.00 C ATOM 1305 C THR A 84 8.488 -14.903 -18.688 1.00 0.00 C ATOM 1306 O THR A 84 7.478 -15.223 -18.062 1.00 0.00 O ATOM 1307 CB THR A 84 8.792 -17.343 -19.111 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.386 -17.485 -19.344 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.099 -17.615 -17.646 1.00 0.00 C ATOM 0 H THR A 84 11.094 -16.335 -18.597 1.00 0.00 H new ATOM 0 HA THR A 84 9.039 -15.774 -20.572 1.00 0.00 H new ATOM 0 HB THR A 84 9.335 -18.066 -19.719 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.902 -16.778 -18.868 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.764 -18.619 -17.384 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.173 -17.536 -17.478 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.580 -16.886 -17.024 1.00 0.00 H new ATOM 1317 N PHE A 85 8.976 -13.667 -18.691 1.00 0.00 N ATOM 1318 CA PHE A 85 8.338 -12.592 -17.941 1.00 0.00 C ATOM 1319 C PHE A 85 7.919 -11.455 -18.868 1.00 0.00 C ATOM 1320 O PHE A 85 6.787 -10.972 -18.805 1.00 0.00 O ATOM 1321 CB PHE A 85 9.286 -12.061 -16.862 1.00 0.00 C ATOM 1322 CG PHE A 85 8.613 -11.167 -15.860 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.278 -9.864 -16.191 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.317 -11.629 -14.588 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.658 -9.038 -15.271 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.698 -10.809 -13.665 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.369 -9.511 -14.006 1.00 0.00 C ATOM 0 H PHE A 85 9.811 -13.385 -19.204 1.00 0.00 H new ATOM 0 HA PHE A 85 7.445 -12.997 -17.464 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.737 -12.904 -16.339 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.097 -11.512 -17.340 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.504 -9.489 -17.178 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.573 -12.642 -14.315 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.400 -8.025 -15.541 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.471 -11.182 -12.677 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.887 -8.868 -13.285 1.00 0.00 H new ATOM 1337 N LEU A 86 8.838 -11.033 -19.729 1.00 0.00 N ATOM 1338 CA LEU A 86 8.565 -9.953 -20.671 1.00 0.00 C ATOM 1339 C LEU A 86 8.643 -10.452 -22.110 1.00 0.00 C ATOM 1340 O LEU A 86 8.090 -9.837 -23.022 1.00 0.00 O ATOM 1341 CB LEU A 86 9.556 -8.806 -20.463 1.00 0.00 C ATOM 1342 CG LEU A 86 11.035 -9.159 -20.624 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.382 -9.343 -22.093 1.00 0.00 C ATOM 1344 CD2 LEU A 86 11.911 -8.084 -19.998 1.00 0.00 C ATOM 0 H LEU A 86 9.779 -11.422 -19.795 1.00 0.00 H new ATOM 0 HA LEU A 86 7.554 -9.590 -20.486 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.314 -8.011 -21.168 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.407 -8.401 -19.462 1.00 0.00 H new ATOM 0 HG LEU A 86 11.223 -10.100 -20.106 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.438 -9.594 -22.189 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.779 -10.149 -22.511 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.178 -8.419 -22.634 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.960 -8.352 -20.122 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.720 -7.129 -20.487 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.681 -8.000 -18.936 1.00 0.00 H new ATOM 1356 N ALA A 87 9.331 -11.572 -22.306 1.00 0.00 N ATOM 1357 CA ALA A 87 9.478 -12.156 -23.633 1.00 0.00 C ATOM 1358 C ALA A 87 8.342 -13.129 -23.933 1.00 0.00 C ATOM 1359 O ALA A 87 7.973 -13.329 -25.090 1.00 0.00 O ATOM 1360 CB ALA A 87 10.822 -12.858 -23.755 1.00 0.00 C ATOM 0 H ALA A 87 9.795 -12.093 -21.562 1.00 0.00 H new ATOM 0 HA ALA A 87 9.434 -11.349 -24.365 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.918 -13.290 -24.751 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.624 -12.138 -23.592 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.888 -13.650 -23.009 1.00 0.00 H new ATOM 1366 N ALA A 88 7.793 -13.732 -22.883 1.00 0.00 N ATOM 1367 CA ALA A 88 6.698 -14.683 -23.035 1.00 0.00 C ATOM 1368 C ALA A 88 5.469 -14.013 -23.639 1.00 0.00 C ATOM 1369 O ALA A 88 4.808 -14.577 -24.510 1.00 0.00 O ATOM 1370 CB ALA A 88 6.354 -15.309 -21.692 1.00 0.00 C ATOM 0 H ALA A 88 8.088 -13.579 -21.919 1.00 0.00 H new ATOM 0 HA ALA A 88 7.023 -15.468 -23.717 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.535 -16.017 -21.820 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.227 -15.831 -21.300 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.053 -14.528 -20.993 1.00 0.00 H new ATOM 1376 N ALA A 89 5.167 -12.806 -23.170 1.00 0.00 N ATOM 1377 CA ALA A 89 4.018 -12.059 -23.665 1.00 0.00 C ATOM 1378 C ALA A 89 4.024 -11.989 -25.188 1.00 0.00 C ATOM 1379 O ALA A 89 3.263 -12.690 -25.855 1.00 0.00 O ATOM 1380 CB ALA A 89 4.002 -10.659 -23.070 1.00 0.00 C ATOM 0 H ALA A 89 5.703 -12.325 -22.448 1.00 0.00 H new ATOM 0 HA ALA A 89 3.114 -12.583 -23.355 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.138 -10.113 -23.449 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.941 -10.726 -21.984 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.915 -10.134 -23.351 1.00 0.00 H new ATOM 1386 N ASP A 90 4.887 -11.138 -25.733 1.00 0.00 N ATOM 1387 CA ASP A 90 4.992 -10.975 -27.178 1.00 0.00 C ATOM 1388 C ASP A 90 6.121 -10.014 -27.536 1.00 0.00 C ATOM 1389 O ASP A 90 6.821 -9.507 -26.659 1.00 0.00 O ATOM 1390 CB ASP A 90 3.669 -10.465 -27.753 1.00 0.00 C ATOM 1391 CG ASP A 90 3.380 -11.031 -29.130 1.00 0.00 C ATOM 1392 OD1 ASP A 90 3.012 -12.221 -29.216 1.00 0.00 O ATOM 1393 OD2 ASP A 90 3.522 -10.285 -30.121 1.00 0.00 O ATOM 0 H ASP A 90 5.524 -10.550 -25.195 1.00 0.00 H new ATOM 0 HA ASP A 90 5.217 -11.949 -27.613 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.856 -10.730 -27.077 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.696 -9.377 -27.809 1.00 0.00 H new ATOM 1453 N LYS A 96 9.756 -5.803 -25.598 1.00 0.00 N ATOM 1454 CA LYS A 96 9.739 -5.005 -24.378 1.00 0.00 C ATOM 1455 C LYS A 96 8.308 -4.672 -23.966 1.00 0.00 C ATOM 1456 O LYS A 96 7.503 -4.230 -24.786 1.00 0.00 O ATOM 1457 CB LYS A 96 10.537 -3.715 -24.577 1.00 0.00 C ATOM 1458 CG LYS A 96 9.910 -2.760 -25.578 1.00 0.00 C ATOM 1459 CD LYS A 96 10.872 -1.650 -25.969 1.00 0.00 C ATOM 1460 CE LYS A 96 10.381 -0.893 -27.193 1.00 0.00 C ATOM 1461 NZ LYS A 96 10.881 -1.499 -28.458 1.00 0.00 N ATOM 0 HA LYS A 96 10.200 -5.591 -23.583 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.637 -3.208 -23.617 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.543 -3.968 -24.910 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.608 -3.312 -26.468 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.006 -2.326 -25.151 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.989 -0.958 -25.135 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.855 -2.074 -26.172 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.291 -0.884 -27.201 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.708 0.145 -27.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.524 -0.954 -29.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.921 -1.485 -28.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.548 -2.482 -28.528 1.00 0.00 H new ATOM 1475 N ILE A 97 8.000 -4.886 -22.691 1.00 0.00 N ATOM 1476 CA ILE A 97 6.668 -4.605 -22.171 1.00 0.00 C ATOM 1477 C ILE A 97 6.551 -3.157 -21.710 1.00 0.00 C ATOM 1478 O ILE A 97 7.512 -2.574 -21.209 1.00 0.00 O ATOM 1479 CB ILE A 97 6.315 -5.536 -20.996 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.623 -6.990 -21.358 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.850 -5.378 -20.616 1.00 0.00 C ATOM 1482 CD1 ILE A 97 5.778 -7.522 -22.495 1.00 0.00 C ATOM 0 H ILE A 97 8.654 -5.253 -22.000 1.00 0.00 H new ATOM 0 HA ILE A 97 5.967 -4.781 -22.987 1.00 0.00 H new ATOM 0 HB ILE A 97 6.925 -5.258 -20.136 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.676 -7.073 -21.628 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.469 -7.615 -20.478 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.616 -6.043 -19.784 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.660 -4.346 -20.321 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.223 -5.632 -21.471 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.051 -8.558 -22.697 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.724 -7.471 -22.220 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.949 -6.921 -23.388 1.00 0.00 H new ATOM 1494 N GLY A 98 5.365 -2.580 -21.883 1.00 0.00 N ATOM 1495 CA GLY A 98 5.143 -1.204 -21.478 1.00 0.00 C ATOM 1496 C GLY A 98 3.754 -0.982 -20.915 1.00 0.00 C ATOM 1497 O GLY A 98 2.963 -0.224 -21.476 1.00 0.00 O ATOM 0 H GLY A 98 4.554 -3.041 -22.296 1.00 0.00 H new ATOM 0 HA2 GLY A 98 5.884 -0.925 -20.729 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.293 -0.548 -22.335 1.00 0.00 H new ATOM 1501 N ALA A 99 3.454 -1.646 -19.803 1.00 0.00 N ATOM 1502 CA ALA A 99 2.150 -1.517 -19.164 1.00 0.00 C ATOM 1503 C ALA A 99 1.023 -1.743 -20.166 1.00 0.00 C ATOM 1504 O ALA A 99 0.042 -1.001 -20.187 1.00 0.00 O ATOM 1505 CB ALA A 99 2.014 -0.148 -18.514 1.00 0.00 C ATOM 0 H ALA A 99 4.097 -2.279 -19.326 1.00 0.00 H new ATOM 0 HA ALA A 99 2.074 -2.283 -18.392 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.036 -0.066 -18.041 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.793 -0.024 -17.762 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.116 0.627 -19.273 1.00 0.00 H new ATOM 1511 N GLU A 100 1.171 -2.773 -20.994 1.00 0.00 N ATOM 1512 CA GLU A 100 0.165 -3.094 -21.999 1.00 0.00 C ATOM 1513 C GLU A 100 0.130 -4.595 -22.273 1.00 0.00 C ATOM 1514 O GLU A 100 -0.875 -5.259 -22.019 1.00 0.00 O ATOM 1515 CB GLU A 100 0.448 -2.335 -23.297 1.00 0.00 C ATOM 1516 CG GLU A 100 0.128 -0.852 -23.216 1.00 0.00 C ATOM 1517 CD GLU A 100 -1.360 -0.580 -23.120 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -2.019 -0.505 -24.178 1.00 0.00 O ATOM 1519 OE2 GLU A 100 -1.867 -0.442 -21.986 1.00 0.00 O ATOM 0 H GLU A 100 1.977 -3.398 -20.988 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.808 -2.789 -21.613 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.499 -2.458 -23.558 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.135 -2.781 -24.103 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.628 -0.423 -22.348 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.529 -0.349 -24.096 1.00 0.00 H new ATOM 1526 N GLU A 101 1.234 -5.123 -22.792 1.00 0.00 N ATOM 1527 CA GLU A 101 1.329 -6.544 -23.101 1.00 0.00 C ATOM 1528 C GLU A 101 1.064 -7.390 -21.859 1.00 0.00 C ATOM 1529 O GLU A 101 0.208 -8.275 -21.867 1.00 0.00 O ATOM 1530 CB GLU A 101 2.710 -6.874 -23.671 1.00 0.00 C ATOM 1531 CG GLU A 101 2.954 -6.289 -25.052 1.00 0.00 C ATOM 1532 CD GLU A 101 1.946 -6.772 -26.077 1.00 0.00 C ATOM 1533 OE1 GLU A 101 1.763 -8.002 -26.194 1.00 0.00 O ATOM 1534 OE2 GLU A 101 1.341 -5.921 -26.761 1.00 0.00 O ATOM 0 H GLU A 101 2.075 -4.587 -23.007 1.00 0.00 H new ATOM 0 HA GLU A 101 0.570 -6.778 -23.848 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.474 -6.502 -22.988 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.825 -7.957 -23.719 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.915 -5.201 -24.994 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.958 -6.554 -25.383 1.00 0.00 H new ATOM 1541 N PHE A 102 1.806 -7.112 -20.792 1.00 0.00 N ATOM 1542 CA PHE A 102 1.654 -7.848 -19.542 1.00 0.00 C ATOM 1543 C PHE A 102 0.199 -7.839 -19.080 1.00 0.00 C ATOM 1544 O PHE A 102 -0.355 -8.878 -18.722 1.00 0.00 O ATOM 1545 CB PHE A 102 2.549 -7.244 -18.458 1.00 0.00 C ATOM 1546 CG PHE A 102 2.446 -7.948 -17.135 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.215 -9.313 -17.078 1.00 0.00 C ATOM 1548 CD2 PHE A 102 2.582 -7.245 -15.949 1.00 0.00 C ATOM 1549 CE1 PHE A 102 2.120 -9.963 -15.862 1.00 0.00 C ATOM 1550 CE2 PHE A 102 2.488 -7.889 -14.730 1.00 0.00 C ATOM 1551 CZ PHE A 102 2.257 -9.250 -14.686 1.00 0.00 C ATOM 0 H PHE A 102 2.518 -6.382 -20.768 1.00 0.00 H new ATOM 0 HA PHE A 102 1.955 -8.881 -19.718 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.585 -7.272 -18.796 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.286 -6.195 -18.324 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.108 -9.875 -17.994 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.764 -6.181 -15.977 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.939 -11.027 -15.831 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.595 -7.329 -13.813 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.184 -9.756 -13.735 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.411 -6.658 -19.090 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.800 -6.514 -18.670 1.00 0.00 C ATOM 1563 C GLN A 103 -2.669 -7.612 -19.275 1.00 0.00 C ATOM 1564 O GLN A 103 -3.561 -8.143 -18.615 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.337 -5.140 -19.077 1.00 0.00 C ATOM 1566 CG GLN A 103 -2.058 -4.050 -18.055 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.645 -4.112 -17.509 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -0.439 -4.278 -16.306 1.00 0.00 O ATOM 1569 NE2 GLN A 103 0.338 -3.977 -18.391 1.00 0.00 N ATOM 0 H GLN A 103 0.034 -5.788 -19.384 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.836 -6.605 -17.584 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.894 -4.854 -20.031 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.413 -5.212 -19.234 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.224 -3.075 -18.514 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.766 -4.139 -17.231 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.122 -3.841 -19.379 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.309 -4.009 -18.081 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.400 -7.946 -20.533 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.159 -8.981 -21.226 1.00 0.00 C ATOM 1580 C GLU A 104 -2.813 -10.365 -20.684 1.00 0.00 C ATOM 1581 O GLU A 104 -3.699 -11.169 -20.397 1.00 0.00 O ATOM 1582 CB GLU A 104 -2.882 -8.926 -22.730 1.00 0.00 C ATOM 1583 CG GLU A 104 -3.196 -7.579 -23.358 1.00 0.00 C ATOM 1584 CD GLU A 104 -4.584 -7.080 -23.005 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -5.538 -7.409 -23.740 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -4.715 -6.360 -21.993 1.00 0.00 O ATOM 0 H GLU A 104 -1.664 -7.516 -21.093 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.219 -8.797 -21.052 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.833 -9.164 -22.907 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.472 -9.696 -23.228 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.457 -6.848 -23.030 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.107 -7.658 -24.441 1.00 0.00 H new ATOM 1593 N MET A 105 -1.519 -10.634 -20.548 1.00 0.00 N ATOM 1594 CA MET A 105 -1.055 -11.920 -20.040 1.00 0.00 C ATOM 1595 C MET A 105 -1.759 -12.274 -18.734 1.00 0.00 C ATOM 1596 O MET A 105 -1.914 -13.449 -18.400 1.00 0.00 O ATOM 1597 CB MET A 105 0.459 -11.891 -19.825 1.00 0.00 C ATOM 1598 CG MET A 105 0.964 -12.996 -18.911 1.00 0.00 C ATOM 1599 SD MET A 105 2.658 -13.487 -19.286 1.00 0.00 S ATOM 1600 CE MET A 105 3.500 -11.910 -19.182 1.00 0.00 C ATOM 0 H MET A 105 -0.773 -9.979 -20.782 1.00 0.00 H new ATOM 0 HA MET A 105 -1.295 -12.683 -20.780 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.957 -11.974 -20.791 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.740 -10.926 -19.404 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.908 -12.660 -17.876 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.310 -13.863 -19.000 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.546 -12.037 -19.459 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.028 -11.200 -19.861 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.439 -11.531 -18.162 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.183 -11.251 -17.999 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.872 -11.455 -16.730 1.00 0.00 C ATOM 1612 C VAL A 106 -4.341 -11.797 -16.950 1.00 0.00 C ATOM 1613 O VAL A 106 -4.851 -12.770 -16.394 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.776 -10.206 -15.833 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -3.360 -10.491 -14.458 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -1.332 -9.740 -15.722 1.00 0.00 C ATOM 0 H VAL A 106 -2.062 -10.273 -18.260 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.379 -12.290 -16.233 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.358 -9.406 -16.290 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.284 -9.598 -13.838 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.408 -10.774 -14.559 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.808 -11.306 -13.990 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.283 -8.857 -15.085 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.725 -10.535 -15.288 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.952 -9.494 -16.713 1.00 0.00 H new ATOM 1626 N GLN A 107 -5.015 -10.993 -17.765 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.426 -11.211 -18.059 1.00 0.00 C ATOM 1628 C GLN A 107 -6.658 -12.618 -18.599 1.00 0.00 C ATOM 1629 O GLN A 107 -7.747 -13.175 -18.460 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.925 -10.176 -19.069 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.834 -8.744 -18.567 1.00 0.00 C ATOM 1632 CD GLN A 107 -7.227 -8.610 -17.109 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -8.288 -9.079 -16.695 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -6.373 -7.968 -16.321 1.00 0.00 N ATOM 0 H GLN A 107 -4.607 -10.184 -18.234 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.986 -11.101 -17.130 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.345 -10.268 -19.987 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.962 -10.398 -19.323 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.815 -8.381 -18.699 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.480 -8.109 -19.173 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.505 -7.595 -16.706 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.585 -7.847 -15.331 1.00 0.00 H new ATOM 1643 N SER A 108 -5.628 -13.187 -19.217 1.00 0.00 N ATOM 1644 CA SER A 108 -5.721 -14.528 -19.782 1.00 0.00 C ATOM 1645 C SER A 108 -4.512 -15.371 -19.384 1.00 0.00 C ATOM 1646 O SER A 108 -4.598 -16.212 -18.491 1.00 0.00 O ATOM 1647 CB SER A 108 -5.826 -14.456 -21.306 1.00 0.00 C ATOM 1648 OG SER A 108 -6.587 -13.331 -21.712 1.00 0.00 O ATOM 0 H SER A 108 -4.719 -12.740 -19.339 1.00 0.00 H new ATOM 0 HA SER A 108 -6.619 -15.001 -19.385 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.828 -14.400 -21.740 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.288 -15.368 -21.685 1.00 0.00 H new ATOM 0 HG SER A 108 -6.638 -13.306 -22.690 1.00 0.00 H new