USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.79 (180deg=-1.09) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 129:sc= 0.131 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -121:sc= -0.659 (180deg=-0.898) USER MOD Single : A 29 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.037) USER MOD Single : A 31 TYR OH : rot 30:sc= -2.17 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 170:sc= -1.69! USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.371 F(o=-1.3,f=-0.37) USER MOD Single : A 48 TYR OH : rot -111:sc= 0.0466 USER MOD Single : A 51 SER OG : rot 29:sc= 0.285 USER MOD Single : A 52 LYS NZ :NH3+ -107:sc= -0.226 (180deg=-0.86!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -1.07 USER MOD Single : A 66 GLN :FLIP amide:sc= 0.73 F(o=-1.2,f=0.73) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.624 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.259) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 119:sc= -1.24 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0.332 K(o=0.33,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -9.218 14.678 -4.408 1.00 0.00 N ATOM 2 CA ALA A 8 -8.797 14.353 -3.049 1.00 0.00 C ATOM 3 C ALA A 8 -8.910 12.856 -2.784 1.00 0.00 C ATOM 4 O ALA A 8 -9.906 12.386 -2.235 1.00 0.00 O ATOM 5 CB ALA A 8 -9.624 15.133 -2.040 1.00 0.00 C ATOM 0 HA ALA A 8 -7.750 14.637 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.299 14.881 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.490 16.202 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.677 14.877 -2.157 1.00 0.00 H new ATOM 11 N ASP A 9 -7.883 12.111 -3.176 1.00 0.00 N ATOM 12 CA ASP A 9 -7.867 10.667 -2.981 1.00 0.00 C ATOM 13 C ASP A 9 -7.800 10.318 -1.498 1.00 0.00 C ATOM 14 O ASP A 9 -6.802 10.592 -0.829 1.00 0.00 O ATOM 15 CB ASP A 9 -6.679 10.045 -3.717 1.00 0.00 C ATOM 16 CG ASP A 9 -6.567 10.537 -5.148 1.00 0.00 C ATOM 17 OD1 ASP A 9 -6.112 11.682 -5.348 1.00 0.00 O ATOM 18 OD2 ASP A 9 -6.935 9.776 -6.067 1.00 0.00 O ATOM 0 H ASP A 9 -7.050 12.484 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.792 10.261 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.759 10.280 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.781 8.960 -3.715 1.00 0.00 H new ATOM 23 N ARG A 10 -8.867 9.710 -0.990 1.00 0.00 N ATOM 24 CA ARG A 10 -8.930 9.321 0.415 1.00 0.00 C ATOM 25 C ARG A 10 -8.484 7.874 0.595 1.00 0.00 C ATOM 26 O ARG A 10 -8.530 7.079 -0.343 1.00 0.00 O ATOM 27 CB ARG A 10 -10.353 9.499 0.952 1.00 0.00 C ATOM 28 CG ARG A 10 -10.973 10.843 0.602 1.00 0.00 C ATOM 29 CD ARG A 10 -12.441 10.702 0.228 1.00 0.00 C ATOM 30 NE ARG A 10 -13.293 11.599 1.007 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.606 11.436 1.147 1.00 0.00 C ATOM 32 NH1 ARG A 10 -15.223 10.417 0.561 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.307 12.295 1.875 1.00 0.00 N ATOM 0 H ARG A 10 -9.700 9.476 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.254 9.965 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.984 8.703 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.340 9.386 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.876 11.521 1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.427 11.291 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.567 10.914 -0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.758 9.671 0.387 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.856 12.396 1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.690 9.753 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.230 10.298 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.839 13.081 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.314 12.170 1.982 1.00 0.00 H new ATOM 47 N LYS A 11 -8.050 7.538 1.806 1.00 0.00 N ATOM 48 CA LYS A 11 -7.594 6.184 2.101 1.00 0.00 C ATOM 49 C LYS A 11 -7.787 5.856 3.577 1.00 0.00 C ATOM 50 O LYS A 11 -7.778 6.746 4.426 1.00 0.00 O ATOM 51 CB LYS A 11 -6.122 6.026 1.720 1.00 0.00 C ATOM 52 CG LYS A 11 -5.197 6.988 2.447 1.00 0.00 C ATOM 53 CD LYS A 11 -3.736 6.679 2.163 1.00 0.00 C ATOM 54 CE LYS A 11 -2.909 7.949 2.048 1.00 0.00 C ATOM 55 NZ LYS A 11 -2.783 8.403 0.636 1.00 0.00 N ATOM 0 H LYS A 11 -8.005 8.182 2.596 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.191 5.489 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.808 5.004 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.016 6.175 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.420 8.010 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.380 6.930 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.334 6.053 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.657 6.108 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.370 8.737 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.916 7.775 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.067 9.155 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.495 7.602 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.699 8.770 0.306 1.00 0.00 H new ATOM 69 N LEU A 12 -7.981 4.576 3.876 1.00 0.00 N ATOM 70 CA LEU A 12 -8.197 4.138 5.241 1.00 0.00 C ATOM 71 C LEU A 12 -6.910 3.837 5.961 1.00 0.00 C ATOM 72 O LEU A 12 -5.953 3.304 5.397 1.00 0.00 O ATOM 73 CB LEU A 12 -9.095 2.915 5.252 1.00 0.00 C ATOM 74 CG LEU A 12 -10.501 3.244 4.814 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.829 2.580 3.484 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.515 2.859 5.881 1.00 0.00 C ATOM 0 H LEU A 12 -7.992 3.825 3.186 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.678 4.959 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.679 2.153 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.118 2.490 6.256 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.560 4.323 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.848 2.834 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.135 2.932 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.739 1.498 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.518 3.108 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.453 1.788 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.301 3.405 6.800 1.00 0.00 H new ATOM 88 N CYS A 13 -6.915 4.202 7.225 1.00 0.00 N ATOM 89 CA CYS A 13 -5.761 4.005 8.093 1.00 0.00 C ATOM 90 C CYS A 13 -6.169 3.370 9.416 1.00 0.00 C ATOM 91 O CYS A 13 -7.319 3.473 9.842 1.00 0.00 O ATOM 92 CB CYS A 13 -5.058 5.339 8.351 1.00 0.00 C ATOM 93 SG CYS A 13 -3.240 5.249 8.264 1.00 0.00 S ATOM 0 H CYS A 13 -7.713 4.642 7.684 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.073 3.328 7.587 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.410 6.070 7.623 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.346 5.705 9.336 1.00 0.00 H new ATOM 98 N ALA A 14 -5.211 2.714 10.061 1.00 0.00 N ATOM 99 CA ALA A 14 -5.450 2.059 11.340 1.00 0.00 C ATOM 100 C ALA A 14 -5.691 3.082 12.445 1.00 0.00 C ATOM 101 O ALA A 14 -4.901 3.197 13.383 1.00 0.00 O ATOM 102 CB ALA A 14 -4.274 1.162 11.693 1.00 0.00 C ATOM 0 H ALA A 14 -4.256 2.622 9.716 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.348 1.448 11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.461 0.676 12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.150 0.404 10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.367 1.762 11.762 1.00 0.00 H new ATOM 108 N ASP A 15 -6.786 3.826 12.330 1.00 0.00 N ATOM 109 CA ASP A 15 -7.131 4.841 13.319 1.00 0.00 C ATOM 110 C ASP A 15 -6.075 5.940 13.359 1.00 0.00 C ATOM 111 O ASP A 15 -5.116 5.921 12.586 1.00 0.00 O ATOM 112 CB ASP A 15 -7.281 4.209 14.704 1.00 0.00 C ATOM 113 CG ASP A 15 -8.711 3.803 15.001 1.00 0.00 C ATOM 114 OD1 ASP A 15 -9.609 4.662 14.884 1.00 0.00 O ATOM 115 OD2 ASP A 15 -8.933 2.624 15.352 1.00 0.00 O ATOM 0 H ASP A 15 -7.451 3.745 11.561 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.083 5.286 13.029 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.636 3.333 14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.942 4.915 15.462 1.00 0.00 H new ATOM 120 N GLN A 16 -6.256 6.898 14.261 1.00 0.00 N ATOM 121 CA GLN A 16 -5.320 8.006 14.400 1.00 0.00 C ATOM 122 C GLN A 16 -3.987 7.524 14.967 1.00 0.00 C ATOM 123 O GLN A 16 -3.624 7.853 16.097 1.00 0.00 O ATOM 124 CB GLN A 16 -5.914 9.094 15.298 1.00 0.00 C ATOM 125 CG GLN A 16 -6.517 10.255 14.524 1.00 0.00 C ATOM 126 CD GLN A 16 -7.349 11.171 15.402 1.00 0.00 C ATOM 127 OE1 GLN A 16 -8.450 10.816 15.823 1.00 0.00 O ATOM 128 NE2 GLN A 16 -6.825 12.359 15.681 1.00 0.00 N ATOM 0 H GLN A 16 -7.044 6.929 14.908 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.140 8.425 13.410 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.683 8.652 15.932 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.135 9.474 15.959 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.717 10.831 14.059 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.140 9.866 13.718 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.909 12.612 15.311 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.339 13.018 16.266 1.00 0.00 H new ATOM 137 N GLU A 17 -3.263 6.743 14.174 1.00 0.00 N ATOM 138 CA GLU A 17 -1.971 6.212 14.589 1.00 0.00 C ATOM 139 C GLU A 17 -1.252 5.559 13.413 1.00 0.00 C ATOM 140 O GLU A 17 -0.116 5.910 13.095 1.00 0.00 O ATOM 141 CB GLU A 17 -2.151 5.202 15.724 1.00 0.00 C ATOM 142 CG GLU A 17 -1.844 5.773 17.099 1.00 0.00 C ATOM 143 CD GLU A 17 -1.522 4.697 18.119 1.00 0.00 C ATOM 144 OE1 GLU A 17 -0.680 3.826 17.816 1.00 0.00 O ATOM 145 OE2 GLU A 17 -2.114 4.724 19.217 1.00 0.00 O ATOM 0 H GLU A 17 -3.551 6.463 13.236 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.361 7.041 14.948 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.177 4.834 15.713 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.503 4.344 15.543 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.001 6.460 17.023 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.699 6.354 17.446 1.00 0.00 H new ATOM 152 N CYS A 18 -1.922 4.608 12.770 1.00 0.00 N ATOM 153 CA CYS A 18 -1.349 3.904 11.627 1.00 0.00 C ATOM 154 C CYS A 18 -0.010 3.269 11.989 1.00 0.00 C ATOM 155 O CYS A 18 0.872 3.131 11.142 1.00 0.00 O ATOM 156 CB CYS A 18 -1.170 4.864 10.449 1.00 0.00 C ATOM 157 SG CYS A 18 -2.635 5.887 10.094 1.00 0.00 S ATOM 0 H CYS A 18 -2.864 4.306 13.021 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.038 3.110 11.340 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.323 5.519 10.654 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.919 4.287 9.559 1.00 0.00 H new ATOM 162 N SER A 19 0.135 2.886 13.254 1.00 0.00 N ATOM 163 CA SER A 19 1.368 2.266 13.728 1.00 0.00 C ATOM 164 C SER A 19 1.425 0.795 13.328 1.00 0.00 C ATOM 165 O SER A 19 2.299 0.382 12.566 1.00 0.00 O ATOM 166 CB SER A 19 1.477 2.399 15.248 1.00 0.00 C ATOM 167 OG SER A 19 1.598 3.757 15.633 1.00 0.00 O ATOM 0 H SER A 19 -0.585 2.994 13.968 1.00 0.00 H new ATOM 0 HA SER A 19 2.208 2.782 13.264 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.597 1.961 15.719 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.341 1.838 15.604 1.00 0.00 H new ATOM 0 HG SER A 19 0.939 3.960 16.329 1.00 0.00 H new ATOM 173 N HIS A 20 0.488 0.009 13.850 1.00 0.00 N ATOM 174 CA HIS A 20 0.432 -1.417 13.546 1.00 0.00 C ATOM 175 C HIS A 20 0.084 -1.647 12.079 1.00 0.00 C ATOM 176 O HIS A 20 -0.598 -0.833 11.458 1.00 0.00 O ATOM 177 CB HIS A 20 -0.596 -2.109 14.442 1.00 0.00 C ATOM 178 CG HIS A 20 -0.289 -1.995 15.904 1.00 0.00 C ATOM 179 ND1 HIS A 20 0.690 -2.738 16.528 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.838 -1.216 16.867 1.00 0.00 C ATOM 181 CE1 HIS A 20 0.730 -2.424 17.811 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.186 -1.502 18.041 1.00 0.00 N ATOM 0 H HIS A 20 -0.241 0.335 14.484 1.00 0.00 H new ATOM 0 HA HIS A 20 1.416 -1.844 13.737 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.580 -1.680 14.251 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.650 -3.164 14.172 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.639 -0.503 16.736 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.398 -2.849 18.546 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.379 -1.071 18.945 1.00 0.00 H new ATOM 191 N PRO A 21 0.552 -2.768 11.501 1.00 0.00 N ATOM 192 CA PRO A 21 0.289 -3.102 10.098 1.00 0.00 C ATOM 193 C PRO A 21 -1.163 -3.503 9.859 1.00 0.00 C ATOM 194 O PRO A 21 -1.832 -4.018 10.755 1.00 0.00 O ATOM 195 CB PRO A 21 1.219 -4.288 9.836 1.00 0.00 C ATOM 196 CG PRO A 21 1.411 -4.919 11.171 1.00 0.00 C ATOM 197 CD PRO A 21 1.377 -3.794 12.169 1.00 0.00 C ATOM 0 HA PRO A 21 0.462 -2.252 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.778 -4.988 9.127 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.168 -3.961 9.412 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.625 -5.646 11.376 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.360 -5.453 11.217 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.937 -4.110 13.115 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.378 -3.423 12.391 1.00 0.00 H new ATOM 205 N ILE A 22 -1.645 -3.262 8.644 1.00 0.00 N ATOM 206 CA ILE A 22 -3.016 -3.598 8.283 1.00 0.00 C ATOM 207 C ILE A 22 -3.216 -5.107 8.252 1.00 0.00 C ATOM 208 O ILE A 22 -4.203 -5.630 8.770 1.00 0.00 O ATOM 209 CB ILE A 22 -3.395 -2.998 6.902 1.00 0.00 C ATOM 210 CG1 ILE A 22 -4.770 -2.330 6.971 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.377 -4.060 5.799 1.00 0.00 C ATOM 212 CD1 ILE A 22 -4.867 -1.251 8.028 1.00 0.00 C ATOM 0 H ILE A 22 -1.105 -2.834 7.892 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.666 -3.168 9.044 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.645 -2.247 6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.003 -1.896 5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.525 -3.091 7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.647 -3.601 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.378 -4.489 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.093 -4.846 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.869 -0.822 8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.666 -1.683 9.008 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.136 -0.470 7.819 1.00 0.00 H new ATOM 224 N SER A 23 -2.279 -5.792 7.612 1.00 0.00 N ATOM 225 CA SER A 23 -2.341 -7.234 7.470 1.00 0.00 C ATOM 226 C SER A 23 -1.113 -7.742 6.736 1.00 0.00 C ATOM 227 O SER A 23 -0.142 -7.013 6.538 1.00 0.00 O ATOM 228 CB SER A 23 -3.608 -7.631 6.703 1.00 0.00 C ATOM 229 OG SER A 23 -3.516 -7.265 5.336 1.00 0.00 O ATOM 0 H SER A 23 -1.460 -5.364 7.180 1.00 0.00 H new ATOM 0 HA SER A 23 -2.369 -7.683 8.463 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.763 -8.707 6.784 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.475 -7.149 7.154 1.00 0.00 H new ATOM 0 HG SER A 23 -4.336 -7.531 4.870 1.00 0.00 H new ATOM 235 N MET A 24 -1.173 -8.995 6.334 1.00 0.00 N ATOM 236 CA MET A 24 -0.071 -9.620 5.611 1.00 0.00 C ATOM 237 C MET A 24 -0.547 -10.189 4.280 1.00 0.00 C ATOM 238 O MET A 24 -1.655 -10.714 4.178 1.00 0.00 O ATOM 239 CB MET A 24 0.565 -10.724 6.455 1.00 0.00 C ATOM 240 CG MET A 24 2.067 -10.854 6.253 1.00 0.00 C ATOM 241 SD MET A 24 2.766 -12.267 7.130 1.00 0.00 S ATOM 242 CE MET A 24 1.987 -13.624 6.258 1.00 0.00 C ATOM 0 H MET A 24 -1.973 -9.607 6.494 1.00 0.00 H new ATOM 0 HA MET A 24 0.678 -8.853 5.411 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.364 -10.527 7.508 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.090 -11.675 6.212 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.280 -10.951 5.188 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.556 -9.941 6.594 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.409 -14.224 6.961 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.324 -13.229 5.488 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.753 -14.246 5.794 1.00 0.00 H new ATOM 252 N ALA A 25 0.297 -10.078 3.258 1.00 0.00 N ATOM 253 CA ALA A 25 -0.043 -10.581 1.934 1.00 0.00 C ATOM 254 C ALA A 25 1.158 -11.223 1.253 1.00 0.00 C ATOM 255 O ALA A 25 2.199 -10.590 1.081 1.00 0.00 O ATOM 256 CB ALA A 25 -0.604 -9.460 1.072 1.00 0.00 C ATOM 0 H ALA A 25 1.218 -9.645 3.322 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.805 -11.351 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.854 -9.850 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.501 -9.055 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.141 -8.670 0.972 1.00 0.00 H new ATOM 262 N VAL A 26 1.002 -12.484 0.864 1.00 0.00 N ATOM 263 CA VAL A 26 2.068 -13.213 0.198 1.00 0.00 C ATOM 264 C VAL A 26 2.021 -12.995 -1.308 1.00 0.00 C ATOM 265 O VAL A 26 0.950 -12.830 -1.886 1.00 0.00 O ATOM 266 CB VAL A 26 1.984 -14.721 0.485 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.235 -15.431 -0.010 1.00 0.00 C ATOM 268 CG2 VAL A 26 1.768 -14.975 1.969 1.00 0.00 C ATOM 0 H VAL A 26 0.145 -13.020 1.000 1.00 0.00 H new ATOM 0 HA VAL A 26 3.008 -12.827 0.593 1.00 0.00 H new ATOM 0 HB VAL A 26 1.128 -15.125 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.156 -16.497 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.337 -15.282 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.109 -15.024 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.711 -16.048 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.600 -14.555 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.838 -14.504 2.287 1.00 0.00 H new ATOM 278 N ALA A 27 3.187 -12.998 -1.934 1.00 0.00 N ATOM 279 CA ALA A 27 3.283 -12.801 -3.376 1.00 0.00 C ATOM 280 C ALA A 27 2.942 -14.080 -4.130 1.00 0.00 C ATOM 281 O ALA A 27 3.674 -15.068 -4.061 1.00 0.00 O ATOM 282 CB ALA A 27 4.677 -12.321 -3.751 1.00 0.00 C ATOM 0 H ALA A 27 4.083 -13.135 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 27 2.558 -12.039 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.735 -12.178 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.884 -11.376 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.413 -13.064 -3.444 1.00 0.00 H new ATOM 288 N LEU A 28 1.828 -14.055 -4.852 1.00 0.00 N ATOM 289 CA LEU A 28 1.390 -15.212 -5.623 1.00 0.00 C ATOM 290 C LEU A 28 2.273 -15.430 -6.850 1.00 0.00 C ATOM 291 O LEU A 28 2.179 -16.464 -7.511 1.00 0.00 O ATOM 292 CB LEU A 28 -0.067 -15.039 -6.058 1.00 0.00 C ATOM 293 CG LEU A 28 -0.740 -16.308 -6.584 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.501 -17.010 -5.470 1.00 0.00 C ATOM 295 CD2 LEU A 28 -1.674 -15.977 -7.741 1.00 0.00 C ATOM 0 H LEU A 28 1.211 -13.245 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 28 1.474 -16.089 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.642 -14.666 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.110 -14.275 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 28 0.035 -16.982 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.973 -17.910 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.810 -17.281 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.266 -16.342 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.144 -16.892 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.443 -15.284 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.104 -15.518 -8.549 1.00 0.00 H new ATOM 307 N GLN A 29 3.135 -14.456 -7.146 1.00 0.00 N ATOM 308 CA GLN A 29 4.037 -14.543 -8.286 1.00 0.00 C ATOM 309 C GLN A 29 4.707 -13.200 -8.553 1.00 0.00 C ATOM 310 O GLN A 29 4.374 -12.192 -7.929 1.00 0.00 O ATOM 311 CB GLN A 29 3.295 -15.004 -9.544 1.00 0.00 C ATOM 312 CG GLN A 29 2.023 -14.222 -9.819 1.00 0.00 C ATOM 313 CD GLN A 29 1.038 -14.992 -10.676 1.00 0.00 C ATOM 314 OE1 GLN A 29 0.611 -14.516 -11.729 1.00 0.00 O ATOM 315 NE2 GLN A 29 0.671 -16.187 -10.231 1.00 0.00 N ATOM 0 H GLN A 29 3.224 -13.595 -6.606 1.00 0.00 H new ATOM 0 HA GLN A 29 4.802 -15.280 -8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.961 -14.913 -10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.048 -16.061 -9.443 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.549 -13.962 -8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.277 -13.286 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.050 -16.543 -9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.010 -16.750 -10.767 1.00 0.00 H new ATOM 324 N ASP A 30 5.651 -13.198 -9.487 1.00 0.00 N ATOM 325 CA ASP A 30 6.369 -11.982 -9.847 1.00 0.00 C ATOM 326 C ASP A 30 5.407 -10.927 -10.376 1.00 0.00 C ATOM 327 O ASP A 30 4.377 -11.255 -10.967 1.00 0.00 O ATOM 328 CB ASP A 30 7.441 -12.288 -10.895 1.00 0.00 C ATOM 329 CG ASP A 30 8.280 -11.072 -11.236 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.676 -10.342 -10.302 1.00 0.00 O ATOM 331 OD2 ASP A 30 8.543 -10.848 -12.436 1.00 0.00 O ATOM 0 H ASP A 30 5.937 -14.026 -10.009 1.00 0.00 H new ATOM 0 HA ASP A 30 6.853 -11.592 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.090 -13.082 -10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.964 -12.662 -11.801 1.00 0.00 H new ATOM 336 N TYR A 31 5.740 -9.660 -10.158 1.00 0.00 N ATOM 337 CA TYR A 31 4.891 -8.565 -10.615 1.00 0.00 C ATOM 338 C TYR A 31 5.665 -7.249 -10.681 1.00 0.00 C ATOM 339 O TYR A 31 5.697 -6.487 -9.714 1.00 0.00 O ATOM 340 CB TYR A 31 3.681 -8.426 -9.683 1.00 0.00 C ATOM 341 CG TYR A 31 2.903 -7.143 -9.869 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.286 -6.849 -11.078 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.788 -6.225 -8.833 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.575 -5.676 -11.248 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.080 -5.051 -8.995 1.00 0.00 C ATOM 346 CZ TYR A 31 1.476 -4.781 -10.204 1.00 0.00 C ATOM 347 OH TYR A 31 0.770 -3.610 -10.371 1.00 0.00 O ATOM 0 H TYR A 31 6.586 -9.366 -9.671 1.00 0.00 H new ATOM 0 HA TYR A 31 4.547 -8.796 -11.623 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.012 -9.271 -9.845 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.023 -8.484 -8.650 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.363 -7.548 -11.898 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.261 -6.433 -7.884 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.099 -5.462 -12.194 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.000 -4.348 -8.179 1.00 0.00 H new ATOM 0 HH TYR A 31 0.050 -3.752 -11.020 1.00 0.00 H new ATOM 357 N MET A 32 6.289 -6.992 -11.827 1.00 0.00 N ATOM 358 CA MET A 32 7.058 -5.786 -12.025 1.00 0.00 C ATOM 359 C MET A 32 6.164 -4.551 -11.991 1.00 0.00 C ATOM 360 O MET A 32 5.135 -4.502 -12.664 1.00 0.00 O ATOM 361 CB MET A 32 7.811 -5.849 -13.357 1.00 0.00 C ATOM 362 CG MET A 32 6.913 -6.116 -14.553 1.00 0.00 C ATOM 363 SD MET A 32 7.745 -5.823 -16.125 1.00 0.00 S ATOM 364 CE MET A 32 6.411 -5.117 -17.089 1.00 0.00 C ATOM 0 H MET A 32 6.271 -7.615 -12.635 1.00 0.00 H new ATOM 0 HA MET A 32 7.778 -5.710 -11.210 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.337 -4.907 -13.512 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.568 -6.631 -13.300 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.565 -7.148 -14.518 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.031 -5.479 -14.489 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.771 -4.882 -18.091 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.592 -5.833 -17.157 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.057 -4.206 -16.607 1.00 0.00 H new ATOM 374 N ALA A 33 6.562 -3.559 -11.195 1.00 0.00 N ATOM 375 CA ALA A 33 5.809 -2.323 -11.051 1.00 0.00 C ATOM 376 C ALA A 33 5.217 -1.853 -12.383 1.00 0.00 C ATOM 377 O ALA A 33 5.908 -1.831 -13.402 1.00 0.00 O ATOM 378 CB ALA A 33 6.695 -1.237 -10.457 1.00 0.00 C ATOM 0 H ALA A 33 7.414 -3.594 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 33 4.977 -2.522 -10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.122 -0.316 -10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.052 -1.554 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.547 -1.062 -11.114 1.00 0.00 H new ATOM 384 N PRO A 34 3.928 -1.469 -12.393 1.00 0.00 N ATOM 385 CA PRO A 34 3.256 -1.000 -13.611 1.00 0.00 C ATOM 386 C PRO A 34 4.023 0.126 -14.296 1.00 0.00 C ATOM 387 O PRO A 34 4.257 0.084 -15.504 1.00 0.00 O ATOM 388 CB PRO A 34 1.905 -0.491 -13.101 1.00 0.00 C ATOM 389 CG PRO A 34 1.669 -1.243 -11.838 1.00 0.00 C ATOM 390 CD PRO A 34 3.025 -1.460 -11.227 1.00 0.00 C ATOM 0 HA PRO A 34 3.174 -1.788 -14.359 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.929 0.584 -12.923 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.113 -0.677 -13.826 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.023 -0.681 -11.164 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.173 -2.193 -12.036 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.282 -0.666 -10.526 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.072 -2.399 -10.675 1.00 0.00 H new ATOM 398 N ASP A 35 4.412 1.130 -13.517 1.00 0.00 N ATOM 399 CA ASP A 35 5.154 2.268 -14.048 1.00 0.00 C ATOM 400 C ASP A 35 5.732 3.115 -12.920 1.00 0.00 C ATOM 401 O ASP A 35 5.627 2.760 -11.746 1.00 0.00 O ATOM 402 CB ASP A 35 4.248 3.124 -14.936 1.00 0.00 C ATOM 403 CG ASP A 35 4.865 3.405 -16.292 1.00 0.00 C ATOM 404 OD1 ASP A 35 4.756 2.539 -17.185 1.00 0.00 O ATOM 405 OD2 ASP A 35 5.458 4.491 -16.461 1.00 0.00 O ATOM 0 H ASP A 35 4.226 1.179 -12.515 1.00 0.00 H new ATOM 0 HA ASP A 35 5.980 1.885 -14.647 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.293 2.616 -15.073 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.038 4.068 -14.433 1.00 0.00 H new ATOM 410 N CYS A 36 6.342 4.238 -13.283 1.00 0.00 N ATOM 411 CA CYS A 36 6.938 5.139 -12.303 1.00 0.00 C ATOM 412 C CYS A 36 8.034 4.438 -11.502 1.00 0.00 C ATOM 413 O CYS A 36 8.401 4.884 -10.415 1.00 0.00 O ATOM 414 CB CYS A 36 5.863 5.678 -11.357 1.00 0.00 C ATOM 415 SG CYS A 36 5.831 7.495 -11.228 1.00 0.00 S ATOM 0 H CYS A 36 6.437 4.547 -14.251 1.00 0.00 H new ATOM 0 HA CYS A 36 7.390 5.971 -12.843 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.887 5.331 -11.697 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.023 5.257 -10.365 1.00 0.00 H new ATOM 420 N ARG A 37 8.555 3.340 -12.044 1.00 0.00 N ATOM 421 CA ARG A 37 9.610 2.581 -11.379 1.00 0.00 C ATOM 422 C ARG A 37 9.215 2.228 -9.946 1.00 0.00 C ATOM 423 O ARG A 37 10.017 2.354 -9.020 1.00 0.00 O ATOM 424 CB ARG A 37 10.916 3.379 -11.378 1.00 0.00 C ATOM 425 CG ARG A 37 12.160 2.511 -11.290 1.00 0.00 C ATOM 426 CD ARG A 37 13.222 3.141 -10.403 1.00 0.00 C ATOM 427 NE ARG A 37 14.304 3.737 -11.182 1.00 0.00 N ATOM 428 CZ ARG A 37 15.501 4.033 -10.682 1.00 0.00 C ATOM 429 NH1 ARG A 37 15.774 3.791 -9.406 1.00 0.00 N ATOM 430 NH2 ARG A 37 16.429 4.572 -11.461 1.00 0.00 N ATOM 0 H ARG A 37 8.263 2.956 -12.943 1.00 0.00 H new ATOM 0 HA ARG A 37 9.756 1.653 -11.932 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.966 3.979 -12.286 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.907 4.073 -10.537 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.893 1.530 -10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.566 2.354 -12.289 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.763 3.906 -9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.631 2.384 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 37 14.132 3.938 -12.167 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.064 3.376 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.694 4.020 -9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.225 4.759 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.347 4.799 -11.079 1.00 0.00 H new ATOM 444 N PHE A 38 7.975 1.784 -9.772 1.00 0.00 N ATOM 445 CA PHE A 38 7.473 1.414 -8.454 1.00 0.00 C ATOM 446 C PHE A 38 8.173 0.158 -7.939 1.00 0.00 C ATOM 447 O PHE A 38 9.087 -0.362 -8.580 1.00 0.00 O ATOM 448 CB PHE A 38 5.960 1.188 -8.505 1.00 0.00 C ATOM 449 CG PHE A 38 5.163 2.340 -7.964 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.159 2.620 -6.607 1.00 0.00 C ATOM 451 CD2 PHE A 38 4.417 3.144 -8.812 1.00 0.00 C ATOM 452 CE1 PHE A 38 4.427 3.680 -6.105 1.00 0.00 C ATOM 453 CE2 PHE A 38 3.683 4.205 -8.317 1.00 0.00 C ATOM 454 CZ PHE A 38 3.688 4.473 -6.962 1.00 0.00 C ATOM 0 H PHE A 38 7.299 1.672 -10.527 1.00 0.00 H new ATOM 0 HA PHE A 38 7.686 2.233 -7.767 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.663 1.004 -9.537 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.716 0.290 -7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.735 2.003 -5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.409 2.939 -9.872 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.433 3.888 -5.045 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.106 4.824 -8.989 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.115 5.302 -6.573 1.00 0.00 H new ATOM 464 N LEU A 39 7.737 -0.322 -6.780 1.00 0.00 N ATOM 465 CA LEU A 39 8.321 -1.516 -6.179 1.00 0.00 C ATOM 466 C LEU A 39 7.664 -2.779 -6.726 1.00 0.00 C ATOM 467 O LEU A 39 6.453 -2.965 -6.602 1.00 0.00 O ATOM 468 CB LEU A 39 8.175 -1.468 -4.657 1.00 0.00 C ATOM 469 CG LEU A 39 9.241 -2.242 -3.879 1.00 0.00 C ATOM 470 CD1 LEU A 39 10.609 -1.606 -4.069 1.00 0.00 C ATOM 471 CD2 LEU A 39 8.880 -2.303 -2.403 1.00 0.00 C ATOM 0 H LEU A 39 6.981 0.097 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 39 9.380 -1.541 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.199 -0.426 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.194 -1.861 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 39 9.281 -3.260 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.354 -2.171 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.870 -1.613 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.586 -0.578 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.648 -2.857 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.813 -1.291 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.920 -2.805 -2.284 1.00 0.00 H new ATOM 483 N THR A 40 8.469 -3.642 -7.338 1.00 0.00 N ATOM 484 CA THR A 40 7.968 -4.885 -7.911 1.00 0.00 C ATOM 485 C THR A 40 7.829 -5.970 -6.849 1.00 0.00 C ATOM 486 O THR A 40 8.294 -5.819 -5.720 1.00 0.00 O ATOM 487 CB THR A 40 8.903 -5.370 -9.018 1.00 0.00 C ATOM 488 OG1 THR A 40 8.540 -6.670 -9.444 1.00 0.00 O ATOM 489 CG2 THR A 40 10.356 -5.416 -8.600 1.00 0.00 C ATOM 0 H THR A 40 9.473 -3.502 -7.450 1.00 0.00 H new ATOM 0 HA THR A 40 6.981 -4.684 -8.328 1.00 0.00 H new ATOM 0 HB THR A 40 8.797 -4.643 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.040 -6.900 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.963 -5.769 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.683 -4.417 -8.310 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.470 -6.095 -7.755 1.00 0.00 H new ATOM 497 N ILE A 41 7.189 -7.071 -7.230 1.00 0.00 N ATOM 498 CA ILE A 41 6.986 -8.197 -6.329 1.00 0.00 C ATOM 499 C ILE A 41 7.532 -9.480 -6.949 1.00 0.00 C ATOM 500 O ILE A 41 7.539 -9.633 -8.170 1.00 0.00 O ATOM 501 CB ILE A 41 5.492 -8.388 -5.994 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.912 -7.102 -5.403 1.00 0.00 C ATOM 503 CG2 ILE A 41 5.305 -9.550 -5.029 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.440 -7.205 -5.065 1.00 0.00 C ATOM 0 H ILE A 41 6.800 -7.206 -8.163 1.00 0.00 H new ATOM 0 HA ILE A 41 7.524 -7.978 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 41 4.957 -8.619 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.467 -6.843 -4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.058 -6.287 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.245 -9.669 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.685 -10.465 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.851 -9.349 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.095 -6.258 -4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.874 -7.433 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.290 -7.998 -4.332 1.00 0.00 H new ATOM 516 N HIS A 42 7.996 -10.398 -6.107 1.00 0.00 N ATOM 517 CA HIS A 42 8.549 -11.660 -6.589 1.00 0.00 C ATOM 518 C HIS A 42 7.987 -12.846 -5.810 1.00 0.00 C ATOM 519 O HIS A 42 7.617 -12.719 -4.643 1.00 0.00 O ATOM 520 CB HIS A 42 10.075 -11.643 -6.483 1.00 0.00 C ATOM 521 CG HIS A 42 10.765 -12.107 -7.728 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.088 -13.426 -7.962 1.00 0.00 N ATOM 523 CD2 HIS A 42 11.195 -11.418 -8.813 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.687 -13.530 -9.137 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.762 -12.325 -9.673 1.00 0.00 N ATOM 0 H HIS A 42 8.001 -10.293 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 42 8.261 -11.773 -7.634 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.404 -10.630 -6.251 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.381 -12.276 -5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.108 -10.353 -8.971 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.052 -14.444 -9.582 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.175 -12.104 -10.579 1.00 0.00 H new ATOM 534 N ARG A 43 7.922 -14.000 -6.472 1.00 0.00 N ATOM 535 CA ARG A 43 7.405 -15.222 -5.865 1.00 0.00 C ATOM 536 C ARG A 43 7.930 -15.423 -4.446 1.00 0.00 C ATOM 537 O ARG A 43 8.985 -14.905 -4.077 1.00 0.00 O ATOM 538 CB ARG A 43 7.783 -16.435 -6.722 1.00 0.00 C ATOM 539 CG ARG A 43 6.650 -16.962 -7.587 1.00 0.00 C ATOM 540 CD ARG A 43 5.400 -17.239 -6.769 1.00 0.00 C ATOM 541 NE ARG A 43 5.557 -18.406 -5.904 1.00 0.00 N ATOM 542 CZ ARG A 43 5.409 -19.662 -6.319 1.00 0.00 C ATOM 543 NH1 ARG A 43 5.109 -19.920 -7.586 1.00 0.00 N ATOM 544 NH2 ARG A 43 5.563 -20.664 -5.464 1.00 0.00 N ATOM 0 H ARG A 43 8.225 -14.113 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 43 6.321 -15.124 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.621 -16.165 -7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.128 -17.235 -6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.421 -16.237 -8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.969 -17.877 -8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.165 -16.366 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.556 -17.397 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 43 5.794 -18.249 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.990 -19.153 -8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.997 -20.885 -7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.795 -20.472 -4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.450 -21.627 -5.781 1.00 0.00 H new ATOM 558 N GLY A 44 7.184 -16.197 -3.666 1.00 0.00 N ATOM 559 CA GLY A 44 7.569 -16.490 -2.294 1.00 0.00 C ATOM 560 C GLY A 44 8.063 -15.276 -1.527 1.00 0.00 C ATOM 561 O GLY A 44 9.008 -15.374 -0.745 1.00 0.00 O ATOM 0 H GLY A 44 6.310 -16.632 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.714 -16.917 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.352 -17.249 -2.300 1.00 0.00 H new ATOM 565 N GLN A 45 7.422 -14.131 -1.743 1.00 0.00 N ATOM 566 CA GLN A 45 7.807 -12.908 -1.053 1.00 0.00 C ATOM 567 C GLN A 45 6.604 -12.275 -0.366 1.00 0.00 C ATOM 568 O GLN A 45 5.742 -11.687 -1.019 1.00 0.00 O ATOM 569 CB GLN A 45 8.430 -11.914 -2.032 1.00 0.00 C ATOM 570 CG GLN A 45 9.194 -10.798 -1.343 1.00 0.00 C ATOM 571 CD GLN A 45 9.969 -9.932 -2.317 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.266 -9.354 -3.284 1.00 0.00 O flip ATOM 573 NE2 GLN A 45 11.185 -9.783 -2.201 1.00 0.00 N flip ATOM 0 H GLN A 45 6.638 -14.026 -2.387 1.00 0.00 H new ATOM 0 HA GLN A 45 8.546 -13.167 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.104 -12.447 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.644 -11.480 -2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.495 -10.175 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.884 -11.229 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.686 -10.246 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.692 -9.196 -2.863 1.00 0.00 H new ATOM 582 N VAL A 46 6.548 -12.402 0.955 1.00 0.00 N ATOM 583 CA VAL A 46 5.448 -11.846 1.724 1.00 0.00 C ATOM 584 C VAL A 46 5.512 -10.327 1.760 1.00 0.00 C ATOM 585 O VAL A 46 6.552 -9.729 1.490 1.00 0.00 O ATOM 586 CB VAL A 46 5.429 -12.402 3.158 1.00 0.00 C ATOM 587 CG1 VAL A 46 6.693 -12.020 3.909 1.00 0.00 C ATOM 588 CG2 VAL A 46 4.190 -11.934 3.905 1.00 0.00 C ATOM 0 H VAL A 46 7.252 -12.885 1.513 1.00 0.00 H new ATOM 0 HA VAL A 46 4.526 -12.144 1.224 1.00 0.00 H new ATOM 0 HB VAL A 46 5.394 -13.490 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.653 -12.426 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.561 -12.425 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.773 -10.934 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.200 -12.340 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.183 -10.845 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.298 -12.281 3.383 1.00 0.00 H new ATOM 598 N VAL A 47 4.385 -9.714 2.089 1.00 0.00 N ATOM 599 CA VAL A 47 4.287 -8.279 2.154 1.00 0.00 C ATOM 600 C VAL A 47 3.306 -7.843 3.238 1.00 0.00 C ATOM 601 O VAL A 47 2.313 -8.518 3.496 1.00 0.00 O ATOM 602 CB VAL A 47 3.844 -7.694 0.798 1.00 0.00 C ATOM 603 CG1 VAL A 47 3.962 -6.180 0.773 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.633 -8.317 -0.340 1.00 0.00 C ATOM 0 H VAL A 47 3.519 -10.203 2.316 1.00 0.00 H new ATOM 0 HA VAL A 47 5.278 -7.898 2.400 1.00 0.00 H new ATOM 0 HB VAL A 47 2.791 -7.941 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.641 -5.806 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.331 -5.753 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.999 -5.893 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.304 -7.890 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.695 -8.115 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.467 -9.394 -0.351 1.00 0.00 H new ATOM 614 N TYR A 48 3.592 -6.711 3.874 1.00 0.00 N ATOM 615 CA TYR A 48 2.730 -6.195 4.930 1.00 0.00 C ATOM 616 C TYR A 48 2.076 -4.881 4.512 1.00 0.00 C ATOM 617 O TYR A 48 2.717 -3.829 4.511 1.00 0.00 O ATOM 618 CB TYR A 48 3.531 -5.994 6.217 1.00 0.00 C ATOM 619 CG TYR A 48 4.130 -7.270 6.763 1.00 0.00 C ATOM 620 CD1 TYR A 48 5.249 -7.843 6.171 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.577 -7.902 7.870 1.00 0.00 C ATOM 622 CE1 TYR A 48 5.798 -9.009 6.666 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.122 -9.069 8.371 1.00 0.00 C ATOM 624 CZ TYR A 48 5.232 -9.618 7.765 1.00 0.00 C ATOM 625 OH TYR A 48 5.777 -10.780 8.261 1.00 0.00 O ATOM 0 H TYR A 48 4.411 -6.136 3.677 1.00 0.00 H new ATOM 0 HA TYR A 48 1.943 -6.927 5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.331 -5.278 6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.882 -5.554 6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.696 -7.369 5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.707 -7.474 8.347 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.667 -9.442 6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.681 -9.548 9.232 1.00 0.00 H new ATOM 0 HH TYR A 48 5.160 -11.525 8.102 1.00 0.00 H new ATOM 635 N VAL A 49 0.796 -4.949 4.162 1.00 0.00 N ATOM 636 CA VAL A 49 0.052 -3.767 3.748 1.00 0.00 C ATOM 637 C VAL A 49 -0.188 -2.833 4.929 1.00 0.00 C ATOM 638 O VAL A 49 -0.553 -3.274 6.018 1.00 0.00 O ATOM 639 CB VAL A 49 -1.303 -4.151 3.119 1.00 0.00 C ATOM 640 CG1 VAL A 49 -2.032 -2.915 2.612 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.102 -5.156 1.997 1.00 0.00 C ATOM 0 H VAL A 49 0.252 -5.812 4.157 1.00 0.00 H new ATOM 0 HA VAL A 49 0.655 -3.253 3.000 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.920 -4.615 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.985 -3.209 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.211 -2.232 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.423 -2.417 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.068 -5.416 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.465 -4.720 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.628 -6.054 2.394 1.00 0.00 H new ATOM 651 N PHE A 50 0.026 -1.540 4.706 1.00 0.00 N ATOM 652 CA PHE A 50 -0.161 -0.543 5.752 1.00 0.00 C ATOM 653 C PHE A 50 -1.354 0.360 5.448 1.00 0.00 C ATOM 654 O PHE A 50 -1.926 0.970 6.351 1.00 0.00 O ATOM 655 CB PHE A 50 1.108 0.300 5.911 1.00 0.00 C ATOM 656 CG PHE A 50 1.764 0.148 7.254 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.245 -1.082 7.670 1.00 0.00 C ATOM 658 CD2 PHE A 50 1.899 1.238 8.100 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.850 -1.225 8.904 1.00 0.00 C ATOM 660 CE2 PHE A 50 2.503 1.102 9.335 1.00 0.00 C ATOM 661 CZ PHE A 50 2.979 -0.131 9.738 1.00 0.00 C ATOM 0 H PHE A 50 0.329 -1.159 3.810 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.362 -1.068 6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.820 0.021 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.860 1.350 5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.146 -1.940 7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.528 2.204 7.790 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.221 -2.190 9.216 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.603 1.959 9.985 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.451 -0.239 10.703 1.00 0.00 H new ATOM 671 N SER A 51 -1.725 0.444 4.173 1.00 0.00 N ATOM 672 CA SER A 51 -2.849 1.279 3.765 1.00 0.00 C ATOM 673 C SER A 51 -3.485 0.759 2.480 1.00 0.00 C ATOM 674 O SER A 51 -2.847 0.050 1.701 1.00 0.00 O ATOM 675 CB SER A 51 -2.391 2.726 3.570 1.00 0.00 C ATOM 676 OG SER A 51 -3.469 3.630 3.743 1.00 0.00 O ATOM 0 H SER A 51 -1.266 -0.053 3.409 1.00 0.00 H new ATOM 0 HA SER A 51 -3.598 1.242 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.599 2.959 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.968 2.846 2.572 1.00 0.00 H new ATOM 0 HG SER A 51 -4.119 3.248 4.369 1.00 0.00 H new ATOM 682 N LYS A 52 -4.746 1.121 2.265 1.00 0.00 N ATOM 683 CA LYS A 52 -5.472 0.695 1.074 1.00 0.00 C ATOM 684 C LYS A 52 -6.297 1.845 0.503 1.00 0.00 C ATOM 685 O LYS A 52 -7.498 1.946 0.755 1.00 0.00 O ATOM 686 CB LYS A 52 -6.386 -0.488 1.401 1.00 0.00 C ATOM 687 CG LYS A 52 -7.132 -0.337 2.717 1.00 0.00 C ATOM 688 CD LYS A 52 -8.377 -1.210 2.757 1.00 0.00 C ATOM 689 CE LYS A 52 -9.646 -0.378 2.661 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.805 0.241 1.316 1.00 0.00 N ATOM 0 H LYS A 52 -5.286 1.708 2.900 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.742 0.384 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.110 -0.611 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.789 -1.399 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.473 -0.604 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.414 0.706 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.347 -1.926 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.388 -1.787 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.510 -1.008 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.626 0.404 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.615 1.261 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.135 -0.196 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.777 0.090 0.977 1.00 0.00 H new ATOM 704 N LEU A 53 -5.645 2.709 -0.268 1.00 0.00 N ATOM 705 CA LEU A 53 -6.319 3.852 -0.874 1.00 0.00 C ATOM 706 C LEU A 53 -7.409 3.391 -1.836 1.00 0.00 C ATOM 707 O LEU A 53 -7.174 2.538 -2.691 1.00 0.00 O ATOM 708 CB LEU A 53 -5.309 4.732 -1.613 1.00 0.00 C ATOM 709 CG LEU A 53 -5.799 6.143 -1.946 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.665 7.147 -1.820 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.395 6.181 -3.346 1.00 0.00 C ATOM 0 H LEU A 53 -4.651 2.640 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.783 4.434 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.407 4.811 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.027 4.234 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.577 6.415 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.033 8.144 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.283 7.138 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.864 6.880 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.739 7.191 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.637 5.888 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.237 5.491 -3.402 1.00 0.00 H new ATOM 723 N LYS A 54 -8.602 3.958 -1.687 1.00 0.00 N ATOM 724 CA LYS A 54 -9.729 3.602 -2.542 1.00 0.00 C ATOM 725 C LYS A 54 -10.387 4.855 -3.128 1.00 0.00 C ATOM 726 O LYS A 54 -9.739 5.892 -3.272 1.00 0.00 O ATOM 727 CB LYS A 54 -10.747 2.774 -1.749 1.00 0.00 C ATOM 728 CG LYS A 54 -11.525 3.578 -0.720 1.00 0.00 C ATOM 729 CD LYS A 54 -12.948 3.064 -0.571 1.00 0.00 C ATOM 730 CE LYS A 54 -13.014 1.855 0.350 1.00 0.00 C ATOM 731 NZ LYS A 54 -13.994 2.051 1.454 1.00 0.00 N ATOM 0 H LYS A 54 -8.813 4.665 -0.983 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.359 3.001 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.450 2.316 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.225 1.962 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.016 3.528 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.545 4.627 -1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.582 3.858 -0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.343 2.797 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.290 0.973 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.027 1.665 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.009 1.205 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.717 2.878 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.941 2.207 1.054 1.00 0.00 H new ATOM 745 N GLY A 55 -11.670 4.753 -3.471 1.00 0.00 N ATOM 746 CA GLY A 55 -12.375 5.887 -4.041 1.00 0.00 C ATOM 747 C GLY A 55 -12.068 6.062 -5.513 1.00 0.00 C ATOM 748 O GLY A 55 -12.960 5.974 -6.359 1.00 0.00 O ATOM 0 H GLY A 55 -12.231 3.908 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.448 5.751 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.099 6.794 -3.503 1.00 0.00 H new ATOM 752 N ARG A 56 -10.798 6.297 -5.820 1.00 0.00 N ATOM 753 CA ARG A 56 -10.360 6.472 -7.197 1.00 0.00 C ATOM 754 C ARG A 56 -9.018 5.781 -7.427 1.00 0.00 C ATOM 755 O ARG A 56 -8.321 6.069 -8.400 1.00 0.00 O ATOM 756 CB ARG A 56 -10.250 7.960 -7.537 1.00 0.00 C ATOM 757 CG ARG A 56 -10.793 8.309 -8.914 1.00 0.00 C ATOM 758 CD ARG A 56 -10.819 9.812 -9.141 1.00 0.00 C ATOM 759 NE ARG A 56 -12.114 10.266 -9.643 1.00 0.00 N ATOM 760 CZ ARG A 56 -12.299 11.416 -10.288 1.00 0.00 C ATOM 761 NH1 ARG A 56 -11.276 12.232 -10.513 1.00 0.00 N ATOM 762 NH2 ARG A 56 -13.511 11.750 -10.711 1.00 0.00 N ATOM 0 H ARG A 56 -10.051 6.371 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.102 6.016 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.789 8.537 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.204 8.261 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.178 7.836 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.800 7.907 -9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.593 10.324 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.039 10.085 -9.851 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.925 9.666 -9.490 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.342 11.979 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.424 13.112 -11.008 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.300 11.126 -10.542 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.654 12.631 -11.205 1.00 0.00 H new ATOM 776 N GLY A 57 -8.661 4.868 -6.526 1.00 0.00 N ATOM 777 CA GLY A 57 -7.405 4.154 -6.652 1.00 0.00 C ATOM 778 C GLY A 57 -7.378 2.872 -5.842 1.00 0.00 C ATOM 779 O GLY A 57 -6.325 2.461 -5.357 1.00 0.00 O ATOM 0 H GLY A 57 -9.220 4.612 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.228 3.920 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.590 4.801 -6.328 1.00 0.00 H new ATOM 783 N ARG A 58 -8.540 2.240 -5.695 1.00 0.00 N ATOM 784 CA ARG A 58 -8.649 0.998 -4.938 1.00 0.00 C ATOM 785 C ARG A 58 -7.595 -0.014 -5.384 1.00 0.00 C ATOM 786 O ARG A 58 -7.140 -0.841 -4.595 1.00 0.00 O ATOM 787 CB ARG A 58 -10.047 0.401 -5.103 1.00 0.00 C ATOM 788 CG ARG A 58 -10.474 -0.481 -3.939 1.00 0.00 C ATOM 789 CD ARG A 58 -10.771 -1.904 -4.391 1.00 0.00 C ATOM 790 NE ARG A 58 -11.998 -2.423 -3.791 1.00 0.00 N ATOM 791 CZ ARG A 58 -13.220 -2.124 -4.227 1.00 0.00 C ATOM 792 NH1 ARG A 58 -13.382 -1.310 -5.263 1.00 0.00 N ATOM 793 NH2 ARG A 58 -14.283 -2.640 -3.626 1.00 0.00 N ATOM 0 H ARG A 58 -9.420 2.569 -6.091 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.478 1.228 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.768 1.211 -5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.077 -0.185 -6.022 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.687 -0.495 -3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.360 -0.057 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.860 -1.929 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.935 -2.551 -4.125 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.913 -3.051 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.568 -0.910 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.321 -1.085 -5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.165 -3.266 -2.829 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.219 -2.411 -3.960 1.00 0.00 H new ATOM 807 N LEU A 59 -7.217 0.058 -6.658 1.00 0.00 N ATOM 808 CA LEU A 59 -6.227 -0.847 -7.217 1.00 0.00 C ATOM 809 C LEU A 59 -4.812 -0.505 -6.748 1.00 0.00 C ATOM 810 O LEU A 59 -3.857 -1.207 -7.079 1.00 0.00 O ATOM 811 CB LEU A 59 -6.289 -0.820 -8.746 1.00 0.00 C ATOM 812 CG LEU A 59 -6.389 0.578 -9.366 1.00 0.00 C ATOM 813 CD1 LEU A 59 -5.240 0.820 -10.331 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.725 0.756 -10.073 1.00 0.00 C ATOM 0 H LEU A 59 -7.586 0.739 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.463 -1.849 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.400 -1.313 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.148 -1.407 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.324 1.313 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.329 1.818 -10.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.293 0.738 -9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.272 0.078 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.777 1.755 -10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.820 0.012 -10.864 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.536 0.629 -9.356 1.00 0.00 H new ATOM 826 N PHE A 60 -4.676 0.576 -5.981 1.00 0.00 N ATOM 827 CA PHE A 60 -3.373 0.996 -5.480 1.00 0.00 C ATOM 828 C PHE A 60 -3.302 0.854 -3.963 1.00 0.00 C ATOM 829 O PHE A 60 -3.557 1.806 -3.226 1.00 0.00 O ATOM 830 CB PHE A 60 -3.089 2.444 -5.887 1.00 0.00 C ATOM 831 CG PHE A 60 -1.880 2.596 -6.767 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.639 1.699 -7.796 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.987 3.634 -6.564 1.00 0.00 C ATOM 834 CE1 PHE A 60 -0.528 1.837 -8.607 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.127 3.777 -7.371 1.00 0.00 C ATOM 836 CZ PHE A 60 0.356 2.877 -8.394 1.00 0.00 C ATOM 0 H PHE A 60 -5.451 1.174 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.615 0.349 -5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.959 2.844 -6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.952 3.045 -4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.327 0.884 -7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.162 4.340 -5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.351 1.132 -9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.817 4.591 -7.202 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.225 2.986 -9.026 1.00 0.00 H new ATOM 846 N TRP A 61 -2.954 -0.344 -3.505 1.00 0.00 N ATOM 847 CA TRP A 61 -2.849 -0.616 -2.075 1.00 0.00 C ATOM 848 C TRP A 61 -1.441 -0.322 -1.568 1.00 0.00 C ATOM 849 O TRP A 61 -0.453 -0.739 -2.174 1.00 0.00 O ATOM 850 CB TRP A 61 -3.211 -2.074 -1.786 1.00 0.00 C ATOM 851 CG TRP A 61 -4.672 -2.286 -1.537 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.709 -1.619 -2.121 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.260 -3.232 -0.637 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.903 -2.089 -1.642 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.657 -3.081 -0.728 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.742 -4.192 0.237 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.541 -3.853 0.020 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.621 -4.958 0.981 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.006 -4.785 0.868 1.00 0.00 C ATOM 0 H TRP A 61 -2.740 -1.142 -4.103 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.548 0.037 -1.553 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.900 -2.692 -2.629 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.649 -2.415 -0.917 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.604 -0.834 -2.855 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.826 -1.755 -1.920 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.675 -4.333 0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.610 -3.722 -0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.233 -5.702 1.661 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.666 -5.400 1.462 1.00 0.00 H new ATOM 870 N GLY A 62 -1.354 0.396 -0.453 1.00 0.00 N ATOM 871 CA GLY A 62 -0.063 0.729 0.117 1.00 0.00 C ATOM 872 C GLY A 62 0.438 -0.337 1.070 1.00 0.00 C ATOM 873 O GLY A 62 -0.261 -0.713 2.012 1.00 0.00 O ATOM 0 H GLY A 62 -2.156 0.753 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.662 0.865 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.136 1.680 0.645 1.00 0.00 H new ATOM 877 N GLY A 63 1.649 -0.829 0.829 1.00 0.00 N ATOM 878 CA GLY A 63 2.213 -1.854 1.684 1.00 0.00 C ATOM 879 C GLY A 63 3.728 -1.839 1.702 1.00 0.00 C ATOM 880 O GLY A 63 4.351 -0.816 1.420 1.00 0.00 O ATOM 0 H GLY A 63 2.248 -0.536 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.841 -1.718 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.868 -2.832 1.347 1.00 0.00 H new ATOM 884 N SER A 64 4.320 -2.981 2.035 1.00 0.00 N ATOM 885 CA SER A 64 5.772 -3.107 2.091 1.00 0.00 C ATOM 886 C SER A 64 6.172 -4.567 1.938 1.00 0.00 C ATOM 887 O SER A 64 5.712 -5.423 2.692 1.00 0.00 O ATOM 888 CB SER A 64 6.310 -2.549 3.413 1.00 0.00 C ATOM 889 OG SER A 64 5.260 -2.036 4.217 1.00 0.00 O ATOM 0 H SER A 64 3.815 -3.835 2.271 1.00 0.00 H new ATOM 0 HA SER A 64 6.204 -2.531 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.837 -3.334 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.035 -1.761 3.210 1.00 0.00 H new ATOM 0 HG SER A 64 5.630 -1.688 5.055 1.00 0.00 H new ATOM 895 N VAL A 65 7.025 -4.855 0.963 1.00 0.00 N ATOM 896 CA VAL A 65 7.458 -6.211 0.728 1.00 0.00 C ATOM 897 C VAL A 65 8.434 -6.642 1.796 1.00 0.00 C ATOM 898 O VAL A 65 9.134 -5.831 2.402 1.00 0.00 O ATOM 899 CB VAL A 65 8.130 -6.415 -0.651 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.415 -7.493 -1.451 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.203 -5.120 -1.451 1.00 0.00 C ATOM 0 H VAL A 65 7.425 -4.164 0.328 1.00 0.00 H new ATOM 0 HA VAL A 65 6.552 -6.817 0.752 1.00 0.00 H new ATOM 0 HB VAL A 65 9.153 -6.741 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.907 -7.617 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.448 -8.435 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.377 -7.201 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.682 -5.312 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.196 -4.738 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.783 -4.382 -0.897 1.00 0.00 H new ATOM 911 N GLN A 66 8.459 -7.931 2.008 1.00 0.00 N ATOM 912 CA GLN A 66 9.338 -8.537 3.002 1.00 0.00 C ATOM 913 C GLN A 66 10.798 -8.181 2.736 1.00 0.00 C ATOM 914 O GLN A 66 11.212 -8.038 1.585 1.00 0.00 O ATOM 915 CB GLN A 66 9.160 -10.055 3.010 1.00 0.00 C ATOM 916 CG GLN A 66 9.668 -10.736 1.750 1.00 0.00 C ATOM 917 CD GLN A 66 10.605 -11.891 2.048 1.00 0.00 C ATOM 918 OE1 GLN A 66 10.037 -13.067 2.290 1.00 0.00 O flip ATOM 919 NE2 GLN A 66 11.825 -11.728 2.060 1.00 0.00 N flip ATOM 0 H GLN A 66 7.876 -8.599 1.503 1.00 0.00 H new ATOM 0 HA GLN A 66 9.065 -8.141 3.980 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.683 -10.469 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.103 -10.287 3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.819 -11.101 1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.185 -10.004 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.218 -10.807 1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.443 -12.514 2.262 1.00 0.00 H new ATOM 928 N GLY A 67 11.573 -8.040 3.806 1.00 0.00 N ATOM 929 CA GLY A 67 12.977 -7.703 3.668 1.00 0.00 C ATOM 930 C GLY A 67 13.855 -8.462 4.644 1.00 0.00 C ATOM 931 O GLY A 67 14.043 -8.034 5.782 1.00 0.00 O ATOM 0 H GLY A 67 11.253 -8.153 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.301 -7.919 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.107 -6.632 3.824 1.00 0.00 H new ATOM 935 N ASP A 68 14.393 -9.592 4.196 1.00 0.00 N ATOM 936 CA ASP A 68 15.257 -10.414 5.038 1.00 0.00 C ATOM 937 C ASP A 68 16.719 -10.015 4.869 1.00 0.00 C ATOM 938 O ASP A 68 17.140 -9.608 3.785 1.00 0.00 O ATOM 939 CB ASP A 68 15.075 -11.895 4.699 1.00 0.00 C ATOM 940 CG ASP A 68 14.068 -12.576 5.603 1.00 0.00 C ATOM 941 OD1 ASP A 68 12.859 -12.299 5.460 1.00 0.00 O ATOM 942 OD2 ASP A 68 14.488 -13.386 6.455 1.00 0.00 O ATOM 0 H ASP A 68 14.247 -9.960 3.256 1.00 0.00 H new ATOM 0 HA ASP A 68 14.973 -10.250 6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.751 -11.990 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.035 -12.404 4.781 1.00 0.00 H new ATOM 947 N TYR A 69 17.488 -10.135 5.945 1.00 0.00 N ATOM 948 CA TYR A 69 18.905 -9.787 5.914 1.00 0.00 C ATOM 949 C TYR A 69 19.664 -10.685 4.944 1.00 0.00 C ATOM 950 O TYR A 69 19.464 -11.900 4.920 1.00 0.00 O ATOM 951 CB TYR A 69 19.510 -9.901 7.314 1.00 0.00 C ATOM 952 CG TYR A 69 19.222 -11.221 7.995 1.00 0.00 C ATOM 953 CD1 TYR A 69 20.004 -12.341 7.740 1.00 0.00 C ATOM 954 CD2 TYR A 69 18.169 -11.346 8.893 1.00 0.00 C ATOM 955 CE1 TYR A 69 19.743 -13.549 8.360 1.00 0.00 C ATOM 956 CE2 TYR A 69 17.903 -12.549 9.517 1.00 0.00 C ATOM 957 CZ TYR A 69 18.692 -13.647 9.247 1.00 0.00 C ATOM 958 OH TYR A 69 18.431 -14.848 9.867 1.00 0.00 O ATOM 0 H TYR A 69 17.155 -10.470 6.849 1.00 0.00 H new ATOM 0 HA TYR A 69 18.993 -8.756 5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.589 -9.765 7.246 1.00 0.00 H new ATOM 0 HB3 TYR A 69 19.125 -9.091 7.934 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.829 -12.267 7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 69 17.548 -10.488 9.106 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.359 -14.411 8.151 1.00 0.00 H new ATOM 0 HE2 TYR A 69 17.081 -12.629 10.213 1.00 0.00 H new ATOM 0 HH TYR A 69 17.659 -14.748 10.462 1.00 0.00 H new ATOM 968 N TYR A 70 20.537 -10.080 4.144 1.00 0.00 N ATOM 969 CA TYR A 70 21.327 -10.824 3.172 1.00 0.00 C ATOM 970 C TYR A 70 20.425 -11.523 2.158 1.00 0.00 C ATOM 971 O TYR A 70 19.943 -12.629 2.399 1.00 0.00 O ATOM 972 CB TYR A 70 22.211 -11.852 3.880 1.00 0.00 C ATOM 973 CG TYR A 70 23.625 -11.372 4.121 1.00 0.00 C ATOM 974 CD1 TYR A 70 23.869 -10.167 4.768 1.00 0.00 C ATOM 975 CD2 TYR A 70 24.716 -12.123 3.700 1.00 0.00 C ATOM 976 CE1 TYR A 70 25.159 -9.724 4.988 1.00 0.00 C ATOM 977 CE2 TYR A 70 26.009 -11.686 3.917 1.00 0.00 C ATOM 978 CZ TYR A 70 26.225 -10.487 4.562 1.00 0.00 C ATOM 979 OH TYR A 70 27.511 -10.050 4.780 1.00 0.00 O ATOM 0 H TYR A 70 20.714 -9.076 4.151 1.00 0.00 H new ATOM 0 HA TYR A 70 21.962 -10.116 2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 70 21.757 -12.112 4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 70 22.243 -12.764 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 70 23.037 -9.567 5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 70 24.551 -13.063 3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 70 25.331 -8.784 5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 70 26.846 -12.281 3.583 1.00 0.00 H new ATOM 0 HH TYR A 70 28.145 -10.705 4.419 1.00 0.00 H new ATOM 989 N GLY A 71 20.202 -10.868 1.023 1.00 0.00 N ATOM 990 CA GLY A 71 19.359 -11.441 -0.009 1.00 0.00 C ATOM 991 C GLY A 71 17.992 -10.790 -0.071 1.00 0.00 C ATOM 992 O GLY A 71 16.992 -11.453 -0.345 1.00 0.00 O ATOM 0 H GLY A 71 20.590 -9.951 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.852 -11.336 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 71 19.241 -12.509 0.174 1.00 0.00 H new ATOM 996 N ASP A 72 17.947 -9.485 0.187 1.00 0.00 N ATOM 997 CA ASP A 72 16.693 -8.742 0.160 1.00 0.00 C ATOM 998 C ASP A 72 16.931 -7.270 0.481 1.00 0.00 C ATOM 999 O ASP A 72 16.397 -6.739 1.455 1.00 0.00 O ATOM 1000 CB ASP A 72 15.693 -9.341 1.150 1.00 0.00 C ATOM 1001 CG ASP A 72 14.263 -9.242 0.659 1.00 0.00 C ATOM 1002 OD1 ASP A 72 13.970 -8.326 -0.138 1.00 0.00 O ATOM 1003 OD2 ASP A 72 13.433 -10.080 1.072 1.00 0.00 O ATOM 0 H ASP A 72 18.766 -8.922 0.417 1.00 0.00 H new ATOM 0 HA ASP A 72 16.277 -8.815 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 72 15.942 -10.388 1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.782 -8.827 2.107 1.00 0.00 H new ATOM 1008 N LEU A 73 17.737 -6.620 -0.347 1.00 0.00 N ATOM 1009 CA LEU A 73 18.052 -5.209 -0.160 1.00 0.00 C ATOM 1010 C LEU A 73 16.926 -4.326 -0.689 1.00 0.00 C ATOM 1011 O LEU A 73 15.961 -4.817 -1.275 1.00 0.00 O ATOM 1012 CB LEU A 73 19.364 -4.859 -0.864 1.00 0.00 C ATOM 1013 CG LEU A 73 20.546 -5.766 -0.521 1.00 0.00 C ATOM 1014 CD1 LEU A 73 20.600 -6.954 -1.468 1.00 0.00 C ATOM 1015 CD2 LEU A 73 21.849 -4.983 -0.569 1.00 0.00 C ATOM 0 H LEU A 73 18.186 -7.048 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 73 18.162 -5.026 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 73 19.201 -4.893 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.630 -3.832 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 73 20.409 -6.143 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.448 -7.588 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.678 -7.529 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.713 -6.598 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 73 22.680 -5.644 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.993 -4.577 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 73 21.809 -4.166 0.151 1.00 0.00 H new ATOM 1027 N ALA A 74 17.056 -3.020 -0.477 1.00 0.00 N ATOM 1028 CA ALA A 74 16.050 -2.069 -0.933 1.00 0.00 C ATOM 1029 C ALA A 74 14.696 -2.351 -0.291 1.00 0.00 C ATOM 1030 O ALA A 74 13.869 -3.068 -0.854 1.00 0.00 O ATOM 1031 CB ALA A 74 15.936 -2.109 -2.450 1.00 0.00 C ATOM 0 H ALA A 74 17.848 -2.597 0.007 1.00 0.00 H new ATOM 0 HA ALA A 74 16.365 -1.071 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.181 -1.394 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.897 -1.851 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.648 -3.111 -2.767 1.00 0.00 H new ATOM 1037 N ALA A 75 14.478 -1.783 0.891 1.00 0.00 N ATOM 1038 CA ALA A 75 13.224 -1.974 1.610 1.00 0.00 C ATOM 1039 C ALA A 75 12.515 -0.643 1.840 1.00 0.00 C ATOM 1040 O ALA A 75 13.023 0.229 2.545 1.00 0.00 O ATOM 1041 CB ALA A 75 13.478 -2.673 2.937 1.00 0.00 C ATOM 0 H ALA A 75 15.153 -1.187 1.371 1.00 0.00 H new ATOM 0 HA ALA A 75 12.575 -2.601 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.533 -2.809 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.935 -3.646 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.148 -2.066 3.546 1.00 0.00 H new ATOM 1047 N ARG A 76 11.339 -0.494 1.238 1.00 0.00 N ATOM 1048 CA ARG A 76 10.560 0.731 1.377 1.00 0.00 C ATOM 1049 C ARG A 76 9.091 0.482 1.053 1.00 0.00 C ATOM 1050 O ARG A 76 8.765 -0.335 0.193 1.00 0.00 O ATOM 1051 CB ARG A 76 11.119 1.821 0.461 1.00 0.00 C ATOM 1052 CG ARG A 76 10.665 3.222 0.834 1.00 0.00 C ATOM 1053 CD ARG A 76 11.485 3.785 1.984 1.00 0.00 C ATOM 1054 NE ARG A 76 11.081 3.224 3.271 1.00 0.00 N ATOM 1055 CZ ARG A 76 11.834 3.268 4.367 1.00 0.00 C ATOM 1056 NH1 ARG A 76 13.028 3.845 4.337 1.00 0.00 N ATOM 1057 NH2 ARG A 76 11.391 2.734 5.497 1.00 0.00 N ATOM 0 H ARG A 76 10.905 -1.206 0.650 1.00 0.00 H new ATOM 0 HA ARG A 76 10.633 1.063 2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.208 1.782 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.817 1.612 -0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.754 3.877 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.611 3.202 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.541 3.576 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.375 4.869 2.011 1.00 0.00 H new ATOM 0 HE ARG A 76 10.169 2.772 3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.373 4.258 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.601 3.876 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.473 2.290 5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.968 2.767 6.337 1.00 0.00 H new ATOM 1071 N LEU A 77 8.208 1.193 1.747 1.00 0.00 N ATOM 1072 CA LEU A 77 6.773 1.049 1.533 1.00 0.00 C ATOM 1073 C LEU A 77 6.394 1.452 0.111 1.00 0.00 C ATOM 1074 O LEU A 77 6.912 2.432 -0.425 1.00 0.00 O ATOM 1075 CB LEU A 77 5.998 1.896 2.546 1.00 0.00 C ATOM 1076 CG LEU A 77 5.084 1.104 3.487 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.274 1.559 4.926 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.629 1.252 3.067 1.00 0.00 C ATOM 0 H LEU A 77 8.461 1.875 2.462 1.00 0.00 H new ATOM 0 HA LEU A 77 6.510 0.001 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.711 2.460 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.394 2.622 2.003 1.00 0.00 H new ATOM 0 HG LEU A 77 5.355 0.050 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.616 0.985 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.310 1.400 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.032 2.619 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.994 0.683 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.346 2.304 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.503 0.875 2.052 1.00 0.00 H new ATOM 1090 N GLY A 78 5.487 0.691 -0.494 1.00 0.00 N ATOM 1091 CA GLY A 78 5.057 0.986 -1.847 1.00 0.00 C ATOM 1092 C GLY A 78 3.549 0.934 -2.001 1.00 0.00 C ATOM 1093 O GLY A 78 2.837 0.539 -1.078 1.00 0.00 O ATOM 0 H GLY A 78 5.043 -0.124 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.414 1.976 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.514 0.273 -2.534 1.00 0.00 H new ATOM 1097 N TYR A 79 3.063 1.332 -3.171 1.00 0.00 N ATOM 1098 CA TYR A 79 1.630 1.330 -3.446 1.00 0.00 C ATOM 1099 C TYR A 79 1.343 0.723 -4.815 1.00 0.00 C ATOM 1100 O TYR A 79 1.650 1.321 -5.846 1.00 0.00 O ATOM 1101 CB TYR A 79 1.073 2.753 -3.377 1.00 0.00 C ATOM 1102 CG TYR A 79 1.522 3.521 -2.154 1.00 0.00 C ATOM 1103 CD1 TYR A 79 2.739 4.193 -2.141 1.00 0.00 C ATOM 1104 CD2 TYR A 79 0.731 3.574 -1.014 1.00 0.00 C ATOM 1105 CE1 TYR A 79 3.153 4.895 -1.026 1.00 0.00 C ATOM 1106 CE2 TYR A 79 1.139 4.275 0.105 1.00 0.00 C ATOM 1107 CZ TYR A 79 2.351 4.933 0.094 1.00 0.00 C ATOM 1108 OH TYR A 79 2.760 5.632 1.207 1.00 0.00 O ATOM 0 H TYR A 79 3.640 1.660 -3.945 1.00 0.00 H new ATOM 0 HA TYR A 79 1.139 0.721 -2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.379 3.298 -4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.016 2.709 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.371 4.166 -3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.218 3.059 -1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.101 5.412 -1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.512 4.307 0.984 1.00 0.00 H new ATOM 0 HH TYR A 79 2.079 5.559 1.908 1.00 0.00 H new ATOM 1118 N PHE A 80 0.754 -0.469 -4.818 1.00 0.00 N ATOM 1119 CA PHE A 80 0.429 -1.156 -6.060 1.00 0.00 C ATOM 1120 C PHE A 80 -0.658 -2.206 -5.834 1.00 0.00 C ATOM 1121 O PHE A 80 -0.889 -2.639 -4.705 1.00 0.00 O ATOM 1122 CB PHE A 80 1.681 -1.821 -6.637 1.00 0.00 C ATOM 1123 CG PHE A 80 2.453 -2.618 -5.624 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.909 -3.760 -5.060 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.722 -2.221 -5.233 1.00 0.00 C ATOM 1126 CE1 PHE A 80 2.615 -4.493 -4.126 1.00 0.00 C ATOM 1127 CE2 PHE A 80 4.434 -2.950 -4.298 1.00 0.00 C ATOM 1128 CZ PHE A 80 3.880 -4.088 -3.744 1.00 0.00 C ATOM 0 H PHE A 80 0.493 -0.978 -3.973 1.00 0.00 H new ATOM 0 HA PHE A 80 0.054 -0.418 -6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.390 -2.476 -7.458 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.331 -1.053 -7.056 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.921 -4.081 -5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.160 -1.332 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.179 -5.382 -3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.422 -2.630 -4.001 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.434 -4.660 -3.014 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.336 -2.631 -6.913 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.400 -3.637 -6.833 1.00 0.00 C ATOM 1140 C PRO A 81 -1.968 -4.875 -6.054 1.00 0.00 C ATOM 1141 O PRO A 81 -1.040 -5.578 -6.452 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.661 -3.993 -8.298 1.00 0.00 C ATOM 1143 CG PRO A 81 -2.251 -2.782 -9.063 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.115 -2.164 -8.294 1.00 0.00 C ATOM 0 HA PRO A 81 -3.278 -3.262 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.084 -4.867 -8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.711 -4.230 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.939 -3.047 -10.073 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.082 -2.083 -9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.148 -2.489 -8.677 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.133 -1.076 -8.357 1.00 0.00 H new ATOM 1152 N SER A 82 -2.647 -5.133 -4.942 1.00 0.00 N ATOM 1153 CA SER A 82 -2.335 -6.285 -4.104 1.00 0.00 C ATOM 1154 C SER A 82 -2.847 -7.584 -4.727 1.00 0.00 C ATOM 1155 O SER A 82 -2.574 -8.672 -4.220 1.00 0.00 O ATOM 1156 CB SER A 82 -2.939 -6.103 -2.711 1.00 0.00 C ATOM 1157 OG SER A 82 -2.051 -6.561 -1.705 1.00 0.00 O ATOM 0 H SER A 82 -3.418 -4.559 -4.600 1.00 0.00 H new ATOM 0 HA SER A 82 -1.250 -6.353 -4.022 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.169 -5.050 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.880 -6.649 -2.645 1.00 0.00 H new ATOM 0 HG SER A 82 -2.460 -6.432 -0.824 1.00 0.00 H new ATOM 1163 N SER A 83 -3.593 -7.468 -5.826 1.00 0.00 N ATOM 1164 CA SER A 83 -4.141 -8.636 -6.509 1.00 0.00 C ATOM 1165 C SER A 83 -3.077 -9.711 -6.713 1.00 0.00 C ATOM 1166 O SER A 83 -3.357 -10.905 -6.599 1.00 0.00 O ATOM 1167 CB SER A 83 -4.734 -8.229 -7.859 1.00 0.00 C ATOM 1168 OG SER A 83 -3.756 -7.615 -8.680 1.00 0.00 O ATOM 0 H SER A 83 -3.831 -6.576 -6.261 1.00 0.00 H new ATOM 0 HA SER A 83 -4.928 -9.052 -5.879 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.137 -9.108 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.566 -7.542 -7.702 1.00 0.00 H new ATOM 0 HG SER A 83 -4.159 -7.365 -9.538 1.00 0.00 H new ATOM 1174 N ILE A 84 -1.856 -9.281 -7.017 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.753 -10.207 -7.237 1.00 0.00 C ATOM 1176 C ILE A 84 -0.449 -11.013 -5.977 1.00 0.00 C ATOM 1177 O ILE A 84 -0.105 -12.193 -6.050 1.00 0.00 O ATOM 1178 CB ILE A 84 0.523 -9.465 -7.688 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.634 -10.462 -8.024 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.983 -8.493 -6.610 1.00 0.00 C ATOM 1181 CD1 ILE A 84 1.455 -11.134 -9.369 1.00 0.00 C ATOM 0 H ILE A 84 -1.607 -8.297 -7.116 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.064 -10.888 -8.029 1.00 0.00 H new ATOM 0 HB ILE A 84 0.291 -8.896 -8.588 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.593 -9.944 -8.010 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.673 -11.226 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.884 -7.978 -6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.197 -7.762 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.198 -9.042 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.278 -11.827 -9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.512 -11.680 -9.380 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.446 -10.379 -10.155 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.582 -10.368 -4.825 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.325 -11.022 -3.547 1.00 0.00 C ATOM 1195 C VAL A 85 -1.627 -11.488 -2.899 1.00 0.00 C ATOM 1196 O VAL A 85 -2.681 -10.886 -3.101 1.00 0.00 O ATOM 1197 CB VAL A 85 0.410 -10.082 -2.573 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.799 -9.747 -3.094 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.401 -8.815 -2.340 1.00 0.00 C ATOM 0 H VAL A 85 -0.867 -9.391 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 85 0.307 -11.886 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 85 0.522 -10.596 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.301 -9.082 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.378 -10.664 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.715 -9.254 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.134 -8.163 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.548 -8.297 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.370 -9.076 -1.915 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.547 -12.561 -2.118 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.718 -13.104 -1.440 1.00 0.00 C ATOM 1211 C ARG A 86 -2.616 -12.891 0.069 1.00 0.00 C ATOM 1212 O ARG A 86 -1.661 -13.337 0.704 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.866 -14.596 -1.748 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.805 -14.888 -2.907 1.00 0.00 C ATOM 1215 CD ARG A 86 -5.171 -15.350 -2.422 1.00 0.00 C ATOM 1216 NE ARG A 86 -6.206 -14.350 -2.669 1.00 0.00 N ATOM 1217 CZ ARG A 86 -7.476 -14.490 -2.294 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -7.870 -15.585 -1.656 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -8.354 -13.532 -2.558 1.00 0.00 N ATOM 0 H ARG A 86 -0.682 -13.072 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.599 -12.577 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.884 -15.011 -1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.231 -15.108 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.919 -13.992 -3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.367 -15.655 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.438 -16.280 -2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.123 -15.566 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.941 -13.495 -3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.199 -16.325 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.844 -15.687 -1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.056 -12.688 -3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.327 -13.639 -2.271 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.605 -12.206 0.634 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.626 -11.935 2.067 1.00 0.00 C ATOM 1235 C GLU A 87 -3.839 -13.215 2.864 1.00 0.00 C ATOM 1236 O GLU A 87 -4.901 -13.834 2.793 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.725 -10.923 2.400 1.00 0.00 C ATOM 1238 CG GLU A 87 -6.076 -11.275 1.803 1.00 0.00 C ATOM 1239 CD GLU A 87 -7.230 -10.906 2.714 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -7.066 -11.004 3.949 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -8.298 -10.518 2.194 1.00 0.00 O ATOM 0 H GLU A 87 -4.402 -11.829 0.122 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.659 -11.516 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.824 -10.849 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.423 -9.940 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.192 -10.761 0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.110 -12.344 1.595 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.822 -13.605 3.625 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.897 -14.809 4.440 1.00 0.00 C ATOM 1250 C ASP A 88 -3.132 -14.458 5.900 1.00 0.00 C ATOM 1251 O ASP A 88 -4.035 -14.989 6.545 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.615 -15.631 4.296 1.00 0.00 C ATOM 1253 CG ASP A 88 -1.878 -17.124 4.330 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -2.156 -17.653 5.426 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -1.808 -17.763 3.259 1.00 0.00 O ATOM 0 H ASP A 88 -1.936 -13.104 3.693 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.739 -15.405 4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.125 -15.373 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.926 -15.368 5.099 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.305 -13.563 6.410 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.395 -13.126 7.786 1.00 0.00 C ATOM 1262 C GLN A 89 -3.006 -11.733 7.863 1.00 0.00 C ATOM 1263 O GLN A 89 -2.849 -10.929 6.945 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.998 -13.120 8.379 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.971 -13.099 9.898 1.00 0.00 C ATOM 1266 CD GLN A 89 0.310 -12.507 10.451 1.00 0.00 C ATOM 1267 OE1 GLN A 89 1.255 -13.229 10.768 1.00 0.00 O ATOM 1268 NE2 GLN A 89 0.349 -11.185 10.569 1.00 0.00 N ATOM 0 H GLN A 89 -1.554 -13.121 5.880 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.036 -13.805 8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.462 -14.002 8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.459 -12.250 8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.821 -12.523 10.265 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.089 -14.115 10.274 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.458 -10.624 10.294 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.186 -10.730 10.935 1.00 0.00 H new ATOM 1277 N THR A 90 -3.702 -11.449 8.956 1.00 0.00 N ATOM 1278 CA THR A 90 -4.327 -10.145 9.127 1.00 0.00 C ATOM 1279 C THR A 90 -4.155 -9.622 10.544 1.00 0.00 C ATOM 1280 O THR A 90 -4.085 -10.389 11.505 1.00 0.00 O ATOM 1281 CB THR A 90 -5.809 -10.205 8.775 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.430 -11.320 9.389 1.00 0.00 O ATOM 1283 CG2 THR A 90 -6.069 -10.292 7.288 1.00 0.00 C ATOM 0 H THR A 90 -3.847 -12.097 9.730 1.00 0.00 H new ATOM 0 HA THR A 90 -3.826 -9.456 8.447 1.00 0.00 H new ATOM 0 HB THR A 90 -6.229 -9.270 9.145 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.380 -11.337 9.151 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.143 -10.331 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.650 -9.415 6.794 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.601 -11.192 6.889 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.093 -8.303 10.657 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.934 -7.643 11.944 1.00 0.00 C ATOM 1293 C LEU A 91 -4.584 -6.261 11.917 1.00 0.00 C ATOM 1294 O LEU A 91 -4.211 -5.374 12.683 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.448 -7.518 12.286 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.093 -7.807 13.745 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -0.600 -8.059 13.890 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.531 -6.656 14.637 1.00 0.00 C ATOM 0 H LEU A 91 -4.151 -7.664 9.864 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.426 -8.244 12.709 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.886 -8.201 11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.118 -6.508 12.041 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.624 -8.706 14.059 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.365 -8.263 14.935 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.315 -8.916 13.280 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.049 -7.179 13.559 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.271 -6.878 15.672 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.027 -5.741 14.324 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.610 -6.522 14.555 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.554 -6.088 11.019 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.257 -4.817 10.870 1.00 0.00 C ATOM 1312 C LYS A 92 -6.793 -4.304 12.207 1.00 0.00 C ATOM 1313 O LYS A 92 -7.796 -4.805 12.715 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.413 -4.973 9.879 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.147 -4.334 8.527 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.273 -4.616 7.546 1.00 0.00 C ATOM 1317 CE LYS A 92 -8.341 -6.090 7.183 1.00 0.00 C ATOM 1318 NZ LYS A 92 -8.629 -6.293 5.736 1.00 0.00 N ATOM 0 H LYS A 92 -5.871 -6.818 10.381 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.541 -4.087 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.617 -6.034 9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.312 -4.531 10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.031 -3.257 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.208 -4.712 8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.222 -4.303 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.126 -4.024 6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.396 -6.570 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.114 -6.575 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.667 -7.312 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.543 -5.857 5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.878 -5.852 5.167 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.138 -3.283 12.792 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.562 -2.699 14.058 1.00 0.00 C ATOM 1334 C PRO A 93 -7.588 -1.584 13.857 1.00 0.00 C ATOM 1335 O PRO A 93 -8.600 -1.524 14.556 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.258 -2.141 14.619 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.454 -1.761 13.418 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.938 -2.609 12.262 1.00 0.00 C ATOM 0 HA PRO A 93 -7.054 -3.418 14.713 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.441 -1.279 15.261 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.738 -2.884 15.224 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.576 -0.701 13.194 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.392 -1.928 13.598 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.175 -1.998 11.391 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.181 -3.329 11.950 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.321 -0.710 12.889 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.226 0.385 12.596 1.00 0.00 C ATOM 1348 C GLY A 94 -8.552 0.471 11.118 1.00 0.00 C ATOM 1349 O GLY A 94 -7.858 -0.122 10.292 1.00 0.00 O ATOM 0 H GLY A 94 -6.489 -0.743 12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.147 0.256 13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.778 1.323 12.924 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.601 1.213 10.778 1.00 0.00 N ATOM 1354 CA LYS A 95 -9.999 1.371 9.396 1.00 0.00 C ATOM 1355 C LYS A 95 -10.687 2.714 9.178 1.00 0.00 C ATOM 1356 O LYS A 95 -11.764 2.783 8.588 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.918 0.226 8.965 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.031 -0.068 9.957 1.00 0.00 C ATOM 1359 CD LYS A 95 -11.810 -1.391 10.675 1.00 0.00 C ATOM 1360 CE LYS A 95 -12.036 -1.258 12.173 1.00 0.00 C ATOM 1361 NZ LYS A 95 -13.378 -0.690 12.484 1.00 0.00 N ATOM 0 H LYS A 95 -10.188 1.713 11.447 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.099 1.344 8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.359 0.470 7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.321 -0.675 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.089 0.738 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.987 -0.093 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.486 -2.143 10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.795 -1.742 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.938 -2.236 12.643 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.263 -0.620 12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.641 -0.936 13.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.349 0.345 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.082 -1.082 11.826 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.057 3.776 9.658 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.608 5.117 9.514 1.00 0.00 C ATOM 1377 C VAL A 96 -10.135 5.754 8.218 1.00 0.00 C ATOM 1378 O VAL A 96 -8.969 5.635 7.845 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.218 6.029 10.691 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.099 7.269 10.718 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.307 5.276 12.010 1.00 0.00 C ATOM 0 H VAL A 96 -9.165 3.736 10.150 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.693 5.012 9.502 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.184 6.345 10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.810 7.903 11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.978 7.822 9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.142 6.972 10.831 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.027 5.940 12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.328 4.925 12.161 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.630 4.422 11.988 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.048 6.424 7.535 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.733 7.075 6.277 1.00 0.00 C ATOM 1393 C ASP A 97 -9.921 8.342 6.504 1.00 0.00 C ATOM 1394 O ASP A 97 -10.107 9.049 7.495 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.016 7.404 5.511 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.740 7.853 4.089 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.426 6.988 3.244 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.838 9.068 3.820 1.00 0.00 O ATOM 0 H ASP A 97 -12.017 6.531 7.833 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.132 6.386 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.661 6.525 5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.560 8.188 6.038 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.021 8.613 5.574 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.162 9.787 5.647 1.00 0.00 C ATOM 1405 C VAL A 98 -8.040 10.456 4.282 1.00 0.00 C ATOM 1406 O VAL A 98 -7.321 9.975 3.407 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.755 9.422 6.156 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.955 10.676 6.468 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.848 8.520 7.377 1.00 0.00 C ATOM 0 H VAL A 98 -8.864 8.031 4.751 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.624 10.479 6.351 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.234 8.877 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.964 10.396 6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.857 11.279 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.469 11.253 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.845 8.272 7.723 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.389 9.036 8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.378 7.604 7.114 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.750 11.565 4.107 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.724 12.296 2.846 1.00 0.00 C ATOM 1421 C LYS A 99 -7.379 12.986 2.641 1.00 0.00 C ATOM 1422 O LYS A 99 -6.842 13.608 3.558 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.851 13.330 2.810 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.039 13.975 1.447 1.00 0.00 C ATOM 1425 CD LYS A 99 -11.269 14.870 1.419 1.00 0.00 C ATOM 1426 CE LYS A 99 -12.064 14.686 0.138 1.00 0.00 C ATOM 1427 NZ LYS A 99 -12.542 15.985 -0.411 1.00 0.00 N ATOM 0 H LYS A 99 -9.350 11.977 4.822 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.869 11.579 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.783 12.850 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.644 14.107 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.155 14.561 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.134 13.200 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.903 14.646 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.964 15.912 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.444 14.184 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.918 14.037 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.080 15.816 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.154 16.453 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.726 16.595 -0.620 1.00 0.00 H new ATOM 1441 N THR A 100 -6.842 12.871 1.431 1.00 0.00 N ATOM 1442 CA THR A 100 -5.562 13.482 1.099 1.00 0.00 C ATOM 1443 C THR A 100 -5.727 14.975 0.827 1.00 0.00 C ATOM 1444 O THR A 100 -6.844 15.493 0.814 1.00 0.00 O ATOM 1445 CB THR A 100 -4.951 12.784 -0.118 1.00 0.00 C ATOM 1446 OG1 THR A 100 -3.594 13.162 -0.288 1.00 0.00 O ATOM 1447 CG2 THR A 100 -5.682 13.075 -1.413 1.00 0.00 C ATOM 0 H THR A 100 -7.275 12.359 0.663 1.00 0.00 H new ATOM 0 HA THR A 100 -4.891 13.365 1.950 1.00 0.00 H new ATOM 0 HB THR A 100 -5.038 11.718 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.022 12.369 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.194 12.548 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.716 12.740 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.663 14.147 -1.609 1.00 0.00 H new ATOM 1455 N ASP A 101 -4.611 15.663 0.609 1.00 0.00 N ATOM 1456 CA ASP A 101 -4.638 17.095 0.337 1.00 0.00 C ATOM 1457 C ASP A 101 -3.751 17.437 -0.854 1.00 0.00 C ATOM 1458 O ASP A 101 -4.201 18.052 -1.821 1.00 0.00 O ATOM 1459 CB ASP A 101 -4.185 17.880 1.570 1.00 0.00 C ATOM 1460 CG ASP A 101 -5.068 19.080 1.849 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -6.272 18.881 2.116 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -4.556 20.218 1.803 1.00 0.00 O ATOM 0 H ASP A 101 -3.677 15.252 0.615 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.663 17.375 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.188 17.221 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.157 18.214 1.427 1.00 0.00 H new ATOM 1467 N LYS A 102 -2.489 17.030 -0.778 1.00 0.00 N ATOM 1468 CA LYS A 102 -1.536 17.290 -1.849 1.00 0.00 C ATOM 1469 C LYS A 102 -1.830 16.406 -3.058 1.00 0.00 C ATOM 1470 O LYS A 102 -2.836 15.696 -3.090 1.00 0.00 O ATOM 1471 CB LYS A 102 -0.107 17.045 -1.357 1.00 0.00 C ATOM 1472 CG LYS A 102 0.559 18.287 -0.787 1.00 0.00 C ATOM 1473 CD LYS A 102 1.254 19.094 -1.871 1.00 0.00 C ATOM 1474 CE LYS A 102 2.487 19.804 -1.335 1.00 0.00 C ATOM 1475 NZ LYS A 102 2.591 21.199 -1.845 1.00 0.00 N ATOM 0 H LYS A 102 -2.102 16.518 0.015 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.634 18.333 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.122 16.268 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.494 16.667 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.189 18.908 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.284 17.996 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.540 18.434 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.560 19.828 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.453 19.817 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.379 19.246 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.445 21.648 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.649 21.186 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.752 21.739 -1.552 1.00 0.00 H new ATOM 1489 N TRP A 103 -0.948 16.455 -4.052 1.00 0.00 N ATOM 1490 CA TRP A 103 -1.112 15.663 -5.264 1.00 0.00 C ATOM 1491 C TRP A 103 -1.230 14.169 -4.962 1.00 0.00 C ATOM 1492 O TRP A 103 -1.666 13.393 -5.812 1.00 0.00 O ATOM 1493 CB TRP A 103 0.051 15.917 -6.204 1.00 0.00 C ATOM 1494 CG TRP A 103 -0.291 16.958 -7.195 1.00 0.00 C ATOM 1495 CD1 TRP A 103 0.267 18.187 -7.312 1.00 0.00 C ATOM 1496 CD2 TRP A 103 -1.304 16.875 -8.197 1.00 0.00 C ATOM 1497 NE1 TRP A 103 -0.330 18.862 -8.330 1.00 0.00 N ATOM 1498 CE2 TRP A 103 -1.285 18.087 -8.888 1.00 0.00 C ATOM 1499 CE3 TRP A 103 -2.218 15.895 -8.583 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 -2.129 18.367 -9.937 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 -3.073 16.167 -9.637 1.00 0.00 C ATOM 1502 CH2 TRP A 103 -3.022 17.399 -10.308 1.00 0.00 C ATOM 0 H TRP A 103 -0.110 17.037 -4.040 1.00 0.00 H new ATOM 0 HA TRP A 103 -2.043 15.972 -5.739 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.925 16.227 -5.632 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.317 14.993 -6.718 1.00 0.00 H new ATOM 0 HD1 TRP A 103 1.063 18.571 -6.692 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -0.093 19.809 -8.627 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.258 14.945 -8.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.088 19.317 -10.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.789 15.421 -9.948 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.698 17.586 -11.129 1.00 0.00 H new ATOM 1513 N ASP A 104 -0.835 13.771 -3.752 1.00 0.00 N ATOM 1514 CA ASP A 104 -0.895 12.369 -3.341 1.00 0.00 C ATOM 1515 C ASP A 104 -0.353 11.446 -4.431 1.00 0.00 C ATOM 1516 O ASP A 104 -0.864 10.345 -4.637 1.00 0.00 O ATOM 1517 CB ASP A 104 -2.331 11.976 -2.981 1.00 0.00 C ATOM 1518 CG ASP A 104 -3.252 11.951 -4.186 1.00 0.00 C ATOM 1519 OD1 ASP A 104 -3.284 10.919 -4.889 1.00 0.00 O ATOM 1520 OD2 ASP A 104 -3.944 12.964 -4.426 1.00 0.00 O ATOM 0 H ASP A 104 -0.469 14.402 -3.039 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.266 12.255 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.327 10.992 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.722 12.679 -2.245 1.00 0.00 H new ATOM 1525 N PHE A 105 0.684 11.904 -5.123 1.00 0.00 N ATOM 1526 CA PHE A 105 1.296 11.122 -6.192 1.00 0.00 C ATOM 1527 C PHE A 105 2.551 11.812 -6.719 1.00 0.00 C ATOM 1528 O PHE A 105 2.525 12.446 -7.774 1.00 0.00 O ATOM 1529 CB PHE A 105 0.299 10.909 -7.331 1.00 0.00 C ATOM 1530 CG PHE A 105 0.499 9.617 -8.071 1.00 0.00 C ATOM 1531 CD1 PHE A 105 0.083 8.417 -7.518 1.00 0.00 C ATOM 1532 CD2 PHE A 105 1.100 9.603 -9.319 1.00 0.00 C ATOM 1533 CE1 PHE A 105 0.266 7.225 -8.195 1.00 0.00 C ATOM 1534 CE2 PHE A 105 1.286 8.416 -10.001 1.00 0.00 C ATOM 1535 CZ PHE A 105 0.868 7.226 -9.439 1.00 0.00 C ATOM 0 H PHE A 105 1.119 12.813 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 105 1.581 10.152 -5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.713 10.934 -6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 105 0.381 11.738 -8.034 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.390 8.412 -6.547 1.00 0.00 H new ATOM 0 HD2 PHE A 105 1.427 10.531 -9.764 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.061 6.296 -7.753 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.758 8.419 -10.973 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.011 6.297 -9.971 1.00 0.00 H new ATOM 1545 N TYR A 106 3.646 11.685 -5.979 1.00 0.00 N ATOM 1546 CA TYR A 106 4.910 12.297 -6.373 1.00 0.00 C ATOM 1547 C TYR A 106 5.909 11.243 -6.849 1.00 0.00 C ATOM 1548 O TYR A 106 7.116 11.481 -6.859 1.00 0.00 O ATOM 1549 CB TYR A 106 5.503 13.086 -5.203 1.00 0.00 C ATOM 1550 CG TYR A 106 5.997 14.462 -5.587 1.00 0.00 C ATOM 1551 CD1 TYR A 106 7.195 14.625 -6.269 1.00 0.00 C ATOM 1552 CD2 TYR A 106 5.263 15.598 -5.268 1.00 0.00 C ATOM 1553 CE1 TYR A 106 7.650 15.881 -6.622 1.00 0.00 C ATOM 1554 CE2 TYR A 106 5.712 16.858 -5.618 1.00 0.00 C ATOM 1555 CZ TYR A 106 6.905 16.993 -6.294 1.00 0.00 C ATOM 1556 OH TYR A 106 7.356 18.245 -6.645 1.00 0.00 O ATOM 0 H TYR A 106 3.685 11.164 -5.103 1.00 0.00 H new ATOM 0 HA TYR A 106 4.710 12.977 -7.201 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.748 13.185 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.330 12.519 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 106 7.781 13.756 -6.528 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.327 15.495 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.585 15.991 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.131 17.732 -5.363 1.00 0.00 H new ATOM 0 HH TYR A 106 6.714 18.921 -6.342 1.00 0.00 H new ATOM 1566 N CYS A 107 5.399 10.078 -7.244 1.00 0.00 N ATOM 1567 CA CYS A 107 6.249 8.992 -7.722 1.00 0.00 C ATOM 1568 C CYS A 107 7.347 8.669 -6.712 1.00 0.00 C ATOM 1569 O CYS A 107 8.510 9.018 -6.912 1.00 0.00 O ATOM 1570 CB CYS A 107 6.871 9.360 -9.070 1.00 0.00 C ATOM 1571 SG CYS A 107 7.427 7.926 -10.048 1.00 0.00 S ATOM 0 H CYS A 107 4.402 9.863 -7.242 1.00 0.00 H new ATOM 0 HA CYS A 107 5.626 8.106 -7.846 1.00 0.00 H new ATOM 0 HB2 CYS A 107 6.142 9.923 -9.653 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.721 10.021 -8.898 1.00 0.00 H new ATOM 1576 N GLN A 108 6.970 8.001 -5.627 1.00 0.00 N ATOM 1577 CA GLN A 108 7.923 7.631 -4.587 1.00 0.00 C ATOM 1578 C GLN A 108 7.445 6.401 -3.823 1.00 0.00 C ATOM 1579 O GLN A 108 7.952 5.296 -4.107 1.00 0.00 O ATOM 1580 CB GLN A 108 8.131 8.798 -3.619 1.00 0.00 C ATOM 1581 CG GLN A 108 9.155 9.813 -4.101 1.00 0.00 C ATOM 1582 CD GLN A 108 10.531 9.207 -4.294 1.00 0.00 C ATOM 1583 OE1 GLN A 108 11.333 9.149 -3.362 1.00 0.00 O ATOM 1584 NE2 GLN A 108 10.812 8.750 -5.509 1.00 0.00 N ATOM 1585 OXT GLN A 108 6.567 6.553 -2.948 1.00 0.00 O ATOM 0 H GLN A 108 6.011 7.705 -5.445 1.00 0.00 H new ATOM 0 HA GLN A 108 8.872 7.392 -5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.178 9.303 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.448 8.406 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.817 10.245 -5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.219 10.629 -3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.117 8.818 -6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.722 8.331 -5.698 1.00 0.00 H new TER 1594 GLN A 108